A0A061HU64_CRIGR Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A061HU64, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Atp2b3, Length 1,258 aa.

						>A0A061HU64_CRIGR|A0A061HU64|Atp2b3
MGDMANSSIEFHPKPQQQREVPHVGGFGCTLAELRSLMELRGAEALQKIQEAYGDVSGLCRRLKTSPTEGLADNTNDLEKRRQIYGQNFIPPKQPKTFLQLVWEALQDVTLIILEVAAIVSLGLSFYAPPGEESEACGNVSGGAEDEGEAEAGWIEGAAILLSVICVVLVTAFNDWSKEKQFRGLQSRIEQEQKFTVIRNGQLLQVPVAALVVGDIAQVKYGDLLPADGVLIQGNDLKIDESSLTGESDHVRKSADKDPMLLSGTHVMEGSGRMVVTAVGVNSQTGIIFTLLGAGGEEEEKKDKKGKQQDGAMDSSQTRAKKQDGAVAMEMQPLKSAEGGEMEEREKKKANIPKKEKSVLQGKLTKLAVQIGKAGLVMSAITVIILVLYFVIDTFVMDGRVWLPECTPIYVQYFVKFFIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTTNRMTVVQSYLGDTHYKEIPAPSALTPKILDLLVHAISINSAYTTKILPPEKEGALPRQVGNKTECALLGFILDLKRDFQPVREQIPEDKLYKVYTFNSVRKSMSTVIRMPDGGFRLFSKGASEILLKKCTNILNSNGELRGFRPRDRDDMVKKIIEPMACDGLRTICIAYRDFSAIQEPNWDNENEVVGDLTCIAVVGIEDPVRPEVPEAIRKCQRAGITVRMVTGDNINTARAIAAKCGIIQPGEDFLCLEGKEFNRRIRNEKGEIEQERLDKVWPKLRVLARSSPTDKHTLVKGIIDSTTGEQRQVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFTSIVKAVMWGRNVYDSISKFLQFQLTVNVVAVIVAFTGACITQDSPLKAVQMLWVNLIMDTFASLALATEPPNESLLLRKPYGRDKPLISRTMMKNILGHAVYQLTIIFTLLFVGELFFDIDSGRNAPLHSPPSEHYTIIFNTFVMMQLFNEINARKIHGERNVFDGIFSNPIFCTIVLGTFGIQIVIVQFGGKPFSCSPLSTEQWLWCLFVGVGELVWGQVIATIPTSQLKCLKEAGHGPGKDEMTDEELAEGEEEIDHAERELRRGQILWFRGLNRIQTQMEVVSTFKRSGSFQGAVRRRSSVLSQLHDVTNLSTPTHIRVVKAFRSSLYEGLEKPESKSCIHNFMATPEFLINDYTHNIPLIDDTDVDENEERLRAPPPSPPNQNNNAIDSGIYLTTHATKSATSSAFSSRPESPLHSMETSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	31.3	Very low	257 Å²	257	151.4 Å²	151.4	100%	1.266	85%	0.851	S	S	*	*				0	143.3	0	-70.6	158.7	170.2	0	0	106.8
2	G	36.7	Very low	31.1	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	85%	0.85	S	S	*	*			trans	-133.9	-171.8	175.3	0	0	0	0	0	109.3
3	D	30.6	Very low	31.1	Very low	164 Å²	164	150.9 Å²	150.9	88%	0.877	84%	0.843	S	S	*	*			trans	-156.9	168	148.3	-123.3	-37.2	0	0	0	111.8
4	M	36.4	Very low	31	Very low	174 Å²	174	153.8 Å²	153.8	86%	0.857	84%	0.842	S	S	*	*			trans	-98.6	160.7	179.6	-61.1	176.8	-75.7	0	0	111.7
5	A	32.5	Very low	31	Very low	85 Å²	85	151.5 Å²	151.5	70%	0.702	84%	0.837	S	S	*	*				-178.1	144.7	126.5	0	0	0	0	0	115.3
6	N	30.5	Very low	31	Very low	159 Å²	159	153.9 Å²	153.9	85%	0.85	84%	0.841	S	S	*	*			trans	64.5	100.8	144.5	-63.6	-2.1	0	0	0	121.8
7	S	30	Very low	31	Very low	107 Å²	107	155.9 Å²	155.9	75%	0.748	84%	0.843	S	S	*	*			trans	-63.5	153.2	151.7	53.1	0	0	0	0	114.8
8	S	28.2	Very low	31.1	Very low	123 Å²	123	157.5 Å²	157.5	86%	0.86	84%	0.844	S	S	*	*			trans	-125.1	148.7	141.9	53.5	0	0	0	0	108.9
9	I	32.3	Very low	31.1	Very low	145 Å²	145	162.1 Å²	162.1	74%	0.744	85%	0.848	S	S	*	*			trans	-116.6	133.2	-172.7	-64.1	169.6	0	0	0	109.3
10	E	27.4	Very low	31.4	Very low	189 Å²	189	162.5 Å²	162.5	88%	0.883	85%	0.846	S	S	*	*			trans	-140.3	158.5	156.4	-147.2	160	-140.5	0	0	110.7
11	F	27.7	Very low	31.8	Very low	190 Å²	190	159.7 Å²	159.7	83%	0.833	84%	0.835	S	S	*	*			trans	-86.2	136.7	-158.5	-95.9	-119.7	0	0	0	114.4
12	H	29.1	Very low	32.2	Very low	180 Å²	180	152.9 Å²	152.9	83%	0.833	81%	0.81	S	S	*	*			trans	-124.2	136.9	155.8	-93	-73.3	0	0	0	110.8
13	P	31.2	Very low	32.8	Very low	117 Å²	117	152.9 Å²	152.9	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-72.9	142.5	173.6	30.8	-34.1	0	0	0	111.1	P15	P13-P15 WeakPolarHBondContact O-CD 3.42Å
14	K	29.1	Very low	33.5	Very low	191 Å²	191	150.5 Å²	150.5	83%	0.83	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.8	129.6	-178.7	-65.9	-177.2	178.2	-177.8	0	112.5
15	P	31.8	Very low	34.4	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-67.2	161.1	146.8	-13.7	30.5	0	0	0	110.5	P13	P13-P15 WeakPolarHBondContact O-CD 3.42Å
16	Q	30.1	Very low	36	Very low	191 Å²	191	142.5 Å²	142.5	89%	0.893	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-72.9	141	-175.1	-68.7	159.6	-41.7	0	0	112.4	Q18	Q16-Q18 PolarHBondContact O-N 2.98Å; Q16-Q18 VanDerWaalsContact O-N 3.11Å
17	Q	30.9	Very low	38.4	Very low	187 Å²	187	135.3 Å²	135.3	87%	0.874	71%	0.714	S	S	*	*			trans	-71.7	100.9	168.6	-69.5	176.7	-75	0	0	109.9
18	Q	33.5	Very low	40.7	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.864	69%	0.687	S	S	*	*			trans	-67.4	144.7	148.9	-71.7	-175.6	-12.1	0	0	108.3	Q16 E20	Q16-Q18 PolarHBondContact O-N 2.98Å; Q16-Q18 VanDerWaalsContact O-N 3.11Å; Q18-E20 PolarHBondContact O-N 2.98Å
19	R	31.9	Very low	43.4	Very low	244 Å²	244	125.3 Å²	125.3	92%	0.921	65%	0.646	S	S	*	*			trans	-74.3	109.4	179.4	-74.1	175	169.8	165	-5.1	109.1	V21	R19-V21 PolarHBondContact O-N 3Å
20	E	35.8	Very low	46	Very low	171 Å²	171	120.5 Å²	120.5	80%	0.799	62%	0.624	S	S	*	*			trans	-60.7	125.2	165.1	-68.2	-175.6	159	0	0	109.3	Q18	Q18-E20 PolarHBondContact O-N 2.98Å
21	V	40.2	Very low	48.9	Very low	104 Å²	104	113.9 Å²	113.9	63%	0.63	59%	0.594	S	S	*	*			trans	-70.8	139.3	168.6	179.1	0	0	0	0	107.1	R19 H23	R19-V21 PolarHBondContact O-N 3Å; V21-H23 PolarHBondContact O-CD2 2.77Å; V21-H23 PolarHBondContact O-N 3.21Å
22	P	39.6	Very low	51.6	Low	114 Å²	114	108.1 Å²	108.1	74%	0.74	58%	0.582	S	S	*	*			trans	-61.5	101.3	-177.3	23.3	-34.3	0	0	0	111.7	V24	P22-V24 PolarHBondContact O-N 2.81Å
23	H	50.3	Low	54.4	Low	71 Å²	71	102.9 Å²	102.9	33%	0.329	56%	0.558	S	S	.	*			trans	-67	101.6	-177	-71.7	-71.4	0	0	0	111.7	V21	V21-H23 PolarHBondContact O-CD2 2.77Å; V21-H23 PolarHBondContact O-N 3.21Å
24	V	45.2	Very low	57.1	Low	115 Å²	115	97.3 Å²	97.3	70%	0.697	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-62.3	134.6	-179.6	-177.1	0	0	0	0	110.8	P22 G26	P22-V24 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact C-N 3.3Å; V24-G26 PolarHBondContact O-N 3.05Å
25	G	54.5	Low	59.9	Low	48 Å²	48	92.5 Å²	92.5	50%	0.495	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	80.9	-4.2	172.8	0	0	0	0	0	116.3
26	G	67.2	Low	62.5	Low	43 Å²	43	89.4 Å²	89.4	44%	0.443	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	82.7	20	172.3	0	0	0	0	0	115.6	V24 K64	V24-G26 VanDerWaalsContact C-N 3.3Å; V24-G26 PolarHBondContact O-N 3.05Å; G26-K64 WeakPolarHBondContact O-CE 3.15Å; G26-K64 PolarHBondContact O-NZ 3.34Å
27	F	80.2	Confident	65.2	Low	8 Å²	8	80.5 Å²	80.5	4%	0.035	44%	0.438	C	S	.	.	S	Bend	trans	-110.3	152.4	166.3	-61.9	-82.3	0	0	0	109.6	C29 K64 D77 R81 I84 Y85	F27-C29 VanDerWaalsContact C-N 3.26Å; F27-C29 PolarHBondContact O-N 2.75Å; F27-K64 HydrophobicContact CD1-CB 4.3Å; F27-K64 HydrophobicContact CD1-CD 3.97Å; F27-K64 HydrophobicContact CD1-CG 4.29Å; F27-K64 HydrophobicContact CE1-CB 4.35Å; F27-K64 HydrophobicContact CE1-CD 4.13Å; F27-D77 WeakPolarHBondContact CZ-OD1 3.41Å; F27-R81 HydrophobicContact CE2-CG 4.47Å; F27-R81 HydrophobicContact CZ-CG 4.06Å; F27-I84 HydrophobicContact CD2-CD1 3.78Å; F27-I84 HydrophobicContact CE2-CD1 3.75Å; F27-Y85 WeakPolarHBondContact CB-OH 3.36Å; F27-Y85 HydrophobicContact CD2-CE2 4.32Å; F27-Y85 HydrophobicContact CG-CE2 4.47Å
28	G	78.4	Confident	68	Low	18 Å²	18	71.6 Å²	71.6	19%	0.186	40%	0.396	C	S	.	.	S	Bend	trans	-82.2	8.5	-173.3	0	0	0	0	0	115.8	R62	G28-R62 PolarHBondContact N-O 2.98Å; G28-R62 WeakPolarHBondContact O-CD 3.39Å
29	C	85.3	Confident	70.4	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.014	38%	0.377	C	S	.	.	S	Bend	trans	-136	132.4	-179.9	-65.8	0	0	0	0	109.3	F27 L34 R62 L63 Y85	F27-C29 VanDerWaalsContact C-N 3.26Å; F27-C29 PolarHBondContact O-N 2.75Å; C29-L34 HydrophobicContact CB-CD1 4.17Å; C29-L34 HydrophobicContact CB-CD2 4.03Å; C29-L34 HydrophobicContact CB-CG 4.07Å; C29-R62 VanDerWaalsContact SG-CB 3.53Å; C29-L63 HydrophobicContact CB-CD2 3.91Å; C29-Y85 WeakPolarHBondContact O-CE1 3.47Å; C29-Y85 PolarHBondContact O-OH 2.76Å
30	T	87.2	Confident	73	Confident	44 Å²	44	58 Å²	58	27%	0.27	34%	0.344	S	S	.	.			trans	-86.7	159.1	171.4	67	0	0	0	0	111.4	A32 E33 L34	T30-A32 VanDerWaalsContact C-N 3.26Å; T30-A32 PolarHBondContact O-N 3.09Å; T30-E33 VanDerWaalsContact CB-OE2 3.3Å; T30-E33 WeakPolarHBondContact CB-OE2 3.48Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.22Å; T30-E33 PolarHBondContact N-OE2 3.2Å; T30-E33 PolarHBondContact O-N 2.74Å; T30-E33 VanDerWaalsContact OG1-CD 3.26Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.4Å; T30-E33 PolarHBondContact OG1-N 2.83Å; T30-E33 PolarHBondContact OG1-OE2 3.48Å; T30-L34 WeakPolarHBondContact O-CG 3.49Å; T30-L34 PolarHBondContact O-N 2.87Å
31	L	86.8	Confident	75.2	Confident	49 Å²	49	53.8 Å²	53.8	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-35.3	176.9	178.2	58.7	0	0	0	112.8	L34 R35 Y85 N282	L31-L34 PolarHBondContact O-N 3.48Å; L31-R35 WeakPolarHBondContact O-CB 3.42Å; L31-R35 PolarHBondContact O-N 3.44Å; L31-Y85 HydrophobicContact CB-CD1 4.18Å; L31-Y85 HydrophobicContact CD1-CD1 4.3Å; L31-N282 HydrophobicContact CD1-CB 4.11Å
32	A	85.3	Confident	77.3	Confident	70 Å²	70	49.5 Å²	49.5	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-69.3	-38.4	179.1	0	0	0	0	0	112.7	T30 S36	T30-A32 VanDerWaalsContact C-N 3.26Å; T30-A32 PolarHBondContact O-N 3.09Å; A32-S36 WeakPolarHBondContact O-CB 3.37Å; A32-S36 PolarHBondContact O-N 2.91Å; A32-S36 PolarHBondContact O-OG 3.36Å
33	E	88.3	Confident	79.4	Confident	70 Å²	70	47.8 Å²	47.8	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-38.5	174.8	-69.9	162.5	131.5	0	0	111.9	T30 S36 L37	T30-E33 VanDerWaalsContact CB-OE2 3.3Å; T30-E33 WeakPolarHBondContact CB-OE2 3.48Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.22Å; T30-E33 PolarHBondContact N-OE2 3.2Å; T30-E33 PolarHBondContact O-N 2.74Å; T30-E33 VanDerWaalsContact OG1-CD 3.26Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.4Å; T30-E33 PolarHBondContact OG1-N 2.83Å; T30-E33 PolarHBondContact OG1-OE2 3.48Å; E33-S36 PolarHBondContact O-OG 3.46Å; E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.43Å; E33-L37 VanDerWaalsContact O-N 3.11Å
34	L	88.2	Confident	81.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-72.4	-39.4	177.5	-64.2	173.3	0	0	0	112.3	C29 T30 L31 L37 M38 L59 L63 Y85 V213 T277	C29-L34 HydrophobicContact CB-CD1 4.17Å; C29-L34 HydrophobicContact CB-CD2 4.03Å; C29-L34 HydrophobicContact CB-CG 4.07Å; T30-L34 WeakPolarHBondContact O-CG 3.49Å; T30-L34 PolarHBondContact O-N 2.87Å; L31-L34 PolarHBondContact O-N 3.48Å; L34-L37 WeakPolarHBondContact O-CB 3.36Å; L34-L37 PolarHBondContact O-N 3.06Å; L34-M38 WeakPolarHBondContact O-CG 3.21Å; L34-M38 PolarHBondContact O-N 2.96Å; L34-L59 HydrophobicContact CD2-CD1 4.03Å; L34-L63 HydrophobicContact CD1-CD2 4Å; L34-L63 HydrophobicContact CD2-CD2 4.4Å; L34-Y85 HydrophobicContact CD1-CD1 3.86Å; L34-Y85 HydrophobicContact CD1-CE1 3.57Å; L34-V213 HydrophobicContact CD1-CG1 3.71Å; L34-T277 HydrophobicContact CD2-CG2 4.31Å
35	R	86.9	Confident	83	Confident	90 Å²	90	45.1 Å²	45.1	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-49.9	175.9	176.4	176.7	165.1	153.7	0.2	111.8	L31 L37 M38 E39 I287	L31-R35 WeakPolarHBondContact O-CB 3.42Å; L31-R35 PolarHBondContact O-N 3.44Å; R35-L37 PolarHBondContact O-N 3.08Å; R35-M38 WeakPolarHBondContact O-CA 3.44Å; R35-M38 PolarHBondContact O-N 3.37Å; R35-E39 IonicContact NE-OE1 3.21Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.93Å; R35-E39 PolarHBondContact O-N 2.85Å; R35-I287 HydrophobicContact CG-CD1 4.3Å; R35-I287 VanDerWaalsContact CZ-CD1 3.45Å
36	S	86.1	Confident	84.5	Confident	54 Å²	54	45 Å²	45	38%	0.378	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-26.2	178	52.9	0	0	0	0	113.1	A32 E33 M38 E39	A32-S36 WeakPolarHBondContact O-CB 3.37Å; A32-S36 PolarHBondContact O-N 2.91Å; A32-S36 PolarHBondContact O-OG 3.36Å; E33-S36 PolarHBondContact O-OG 3.46Å; S36-M38 VanDerWaalsContact C-N 3.35Å; S36-E39 PolarHBondContact O-N 3.33Å
37	L	88.4	Confident	85.5	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-38.8	168.3	-175	67.2	0	0	0	112.1	E33 L34 R35 E39 L40 K48 I49 Y53 L59 V230	E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.43Å; E33-L37 VanDerWaalsContact O-N 3.11Å; L34-L37 WeakPolarHBondContact O-CB 3.36Å; L34-L37 PolarHBondContact O-N 3.06Å; R35-L37 PolarHBondContact O-N 3.08Å; L37-E39 PolarHBondContact O-N 2.82Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-K48 HydrophobicContact CD1-CB 4.16Å; L37-K48 HydrophobicContact CD1-CG 4.05Å; L37-I49 HydrophobicContact CD1-CG1 4.01Å; L37-Y53 HydrophobicContact CD2-CE2 4.06Å; L37-L59 HydrophobicContact CD2-CD2 4.28Å; L37-V230 HydrophobicContact CD2-CG2 4.34Å
38	M	88.8	Confident	85.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.2	178.7	-62.8	-60.2	94.8	0	0	114.1	L34 R35 S36 R41 D228 V230 M260 T277 A278 Q284	L34-M38 WeakPolarHBondContact O-CG 3.21Å; L34-M38 PolarHBondContact O-N 2.96Å; R35-M38 WeakPolarHBondContact O-CA 3.44Å; R35-M38 PolarHBondContact O-N 3.37Å; S36-M38 VanDerWaalsContact C-N 3.35Å; M38-R41 PolarHBondContact O-NH1 3.2Å; M38-D228 HydrophobicContact CB-CB 4.47Å; M38-D228 HydrophobicContact CG-CB 3.83Å; M38-D228 HydrophobicContact SD-CB 3.63Å; M38-V230 HydrophobicContact CE-CG2 4.03Å; M38-M260 HydrophobicContact CE-CE 4.02Å; M38-M260 HydrophobicContact CE-SD 3.5Å; M38-M260 WeakPolarHBondContact CE-SD 3.29Å; M38-M260 HydrophobicContact SD-SD 4.42Å; M38-T277 HydrophobicContact CE-CG2 4.3Å; M38-T277 PolarHBondContact SD-OG1 3.19Å; M38-A278 HydrophobicContact CG-CB 4.19Å; M38-Q284 HydrophobicContact CB-CG 4.38Å; M38-Q284 WeakPolarHBondContact O-CG 3.48Å; M38-Q284 PolarHBondContact O-NE2 3.08Å
39	E	84.9	Confident	86.2	Confident	97 Å²	97	52.1 Å²	52.1	45%	0.453	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.4	171.2	-68.7	163.4	-178.9	0	0	111.4	R35 S36 L37	R35-E39 IonicContact NE-OE1 3.21Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.93Å; R35-E39 PolarHBondContact O-N 2.85Å; S36-E39 PolarHBondContact O-N 3.33Å; L37-E39 PolarHBondContact O-N 2.82Å
40	L	86.1	Confident	86.3	Confident	45 Å²	45	58 Å²	58	24%	0.236	31%	0.305	C	S	.	.			trans	-88.6	161	178.6	-58.7	177.2	0	0	0	113.4	L37 E44 A45 K48	L37-L40 PolarHBondContact O-N 2.85Å; L40-E44 HydrophobicContact CD2-CB 4.47Å; L40-A45 HydrophobicContact CB-CB 3.9Å; L40-K48 HydrophobicContact CD1-CB 3.52Å; L40-K48 HydrophobicContact CD1-CD 4.39Å; L40-K48 HydrophobicContact CD1-CG 3.68Å
41	R	81.9	Confident	86.3	Confident	83 Å²	83	61.9 Å²	61.9	31%	0.313	32%	0.319	S	S	.	.			trans	-135.4	153.9	178.8	-61.7	-66.9	177	-90.2	-2.5	112.2	M38 A43 E44 A45	M38-R41 PolarHBondContact O-NH1 3.2Å; R41-A43 PolarHBondContact O-N 3.25Å; R41-E44 PolarHBondContact O-N 3.36Å; R41-A45 PolarHBondContact O-N 2.75Å
42	G	83.8	Confident	86.1	Confident	15 Å²	15	61 Å²	61	16%	0.155	32%	0.319	C	S	.	.	H	α-helix	trans	50.3	-125.1	168.1	0	0	0	0	0	114.8	E44 A45 L46 K257 D258	G42-E44 VanDerWaalsContact C-N 3.33Å; G42-E44 PolarHBondContact O-N 3.49Å; G42-A45 PolarHBondContact O-N 3.39Å; G42-L46 PolarHBondContact O-N 3.01Å; G42-K257 CarbonylContact C-O 3.58Å; G42-K257 WeakPolarHBondContact CA-O 3.47Å; G42-D258 WeakPolarHBondContact CA-OD1 3.33Å; G42-D258 PolarHBondContact N-OD1 2.56Å; G42-D258 VanDerWaalsContact N-OD1 3.09Å
43	A	82.8	Confident	86.1	Confident	78 Å²	78	58.6 Å²	58.6	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-34.2	-177.3	0	0	0	0	0	113.9	R41 L46 Q47	R41-A43 PolarHBondContact O-N 3.25Å; A43-L46 WeakPolarHBondContact O-CB 3.22Å; A43-L46 PolarHBondContact O-N 2.82Å; A43-Q47 PolarHBondContact O-N 3.09Å
44	E	86.4	Confident	85.9	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	30%	0.297	S	S	*	.	H	α-helix	trans	-70.8	-41.3	179.2	-61.5	-176.6	169.4	0	0	111.2	L40 R41 G42 L46 Q47 K48	L40-E44 HydrophobicContact CD2-CB 4.47Å; R41-E44 PolarHBondContact O-N 3.36Å; G42-E44 VanDerWaalsContact C-N 3.33Å; G42-E44 PolarHBondContact O-N 3.49Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-Q47 PolarHBondContact O-N 2.99Å; E44-K48 WeakPolarHBondContact O-CB 3.3Å; E44-K48 PolarHBondContact O-N 2.99Å
45	A	85.9	Confident	85.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-41.7	173.3	0	0	0	0	0	111.3	L40 R41 G42 K48 I49 M260	L40-A45 HydrophobicContact CB-CB 3.9Å; R41-A45 PolarHBondContact O-N 2.75Å; G42-A45 PolarHBondContact O-N 3.39Å; A45-K48 PolarHBondContact O-N 2.91Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.33Å; A45-I49 PolarHBondContact O-N 2.73Å; A45-M260 HydrophobicContact CB-CE 4.1Å; A45-M260 HydrophobicContact CB-CG 3.59Å; A45-M260 HydrophobicContact CB-SD 3.74Å
46	L	86.6	Confident	85.7	Confident	45 Å²	45	56.9 Å²	56.9	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-51.5	174.3	-96.1	156.3	0	0	0	113	G42 A43 E44 K48 I49 Q50 A255 D256 K257 P259	G42-L46 PolarHBondContact O-N 3.01Å; A43-L46 WeakPolarHBondContact O-CB 3.22Å; A43-L46 PolarHBondContact O-N 2.82Å; E44-L46 VanDerWaalsContact C-N 3.33Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 2.86Å; L46-Q50 WeakPolarHBondContact O-CB 3.37Å; L46-Q50 PolarHBondContact O-N 3.24Å; L46-A255 WeakPolarHBondContact CD2-O 3.33Å; L46-D256 VanDerWaalsContact CD1-C 3.49Å; L46-D256 WeakPolarHBondContact CD1-O 3.42Å; L46-K257 VanDerWaalsContact CD1-C 3.42Å; L46-K257 WeakPolarHBondContact CD1-O 3.3Å; L46-P259 HydrophobicContact CD2-CG 4.42Å; L46-P259 HydrophobicContact CG-CG 4.05Å
47	Q	86.9	Confident	85.7	Confident	118 Å²	118	56.8 Å²	56.8	55%	0.551	30%	0.304	S	S	*	.	H	α-helix	trans	-57.5	-42.6	175.5	-179.5	173.6	-9.5	0	0	110.5	A43 E44 I49 Q50 E51	A43-Q47 PolarHBondContact O-N 3.09Å; E44-Q47 PolarHBondContact O-N 2.99Å; Q47-I49 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 2.88Å; Q47-E51 HydrophobicContact CG-CG 4.26Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.41Å; Q47-E51 PolarHBondContact NE2-OE1 2.95Å; Q47-E51 WeakPolarHBondContact O-CB 3.11Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 2.82Å
48	K	87	Confident	85.5	Confident	95 Å²	95	56.9 Å²	56.9	41%	0.413	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-37.8	178.6	-163	64.4	172.5	-179.1	0	113.2	L37 L40 E44 A45 L46 A52	L37-K48 HydrophobicContact CD1-CB 4.16Å; L37-K48 HydrophobicContact CD1-CG 4.05Å; L40-K48 HydrophobicContact CD1-CB 3.52Å; L40-K48 HydrophobicContact CD1-CD 4.39Å; L40-K48 HydrophobicContact CD1-CG 3.68Å; E44-K48 WeakPolarHBondContact O-CB 3.3Å; E44-K48 PolarHBondContact O-N 2.99Å; A45-K48 PolarHBondContact O-N 2.91Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.4Å
49	I	87.5	Confident	85.5	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-47.2	174	-68.4	161.6	0	0	0	110.3	L37 A45 L46 Q47 E51 Y53 G54 V56 V230 P259 M260	L37-I49 HydrophobicContact CD1-CG1 4.01Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.33Å; A45-I49 PolarHBondContact O-N 2.73Å; L46-I49 PolarHBondContact O-N 2.86Å; Q47-I49 PolarHBondContact O-N 3.47Å; I49-E51 PolarHBondContact O-N 2.84Å; I49-Y53 CarbonylContact O-C 3.07Å; I49-Y53 WeakPolarHBondContact O-CA 3.22Å; I49-Y53 PolarHBondContact O-N 3.09Å; I49-G54 PolarHBondContact O-N 2.86Å; I49-G54 VanDerWaalsContact O-N 3.08Å; I49-V56 HydrophobicContact CG2-CG2 4.3Å; I49-V230 HydrophobicContact CD1-CG1 3.8Å; I49-P259 HydrophobicContact CD1-CG 4.11Å; I49-M260 HydrophobicContact CD1-CE 3.89Å
50	Q	86.4	Confident	85.6	Confident	127 Å²	127	52.2 Å²	52.2	59%	0.593	28%	0.284	S	S	*	.	H	α-helix	trans	-61.6	-44.1	-179.2	-167.6	61.8	53.6	0	0	112.1	L46 Q47 G54	L46-Q50 WeakPolarHBondContact O-CB 3.37Å; L46-Q50 PolarHBondContact O-N 3.24Å; Q47-Q50 PolarHBondContact O-N 2.88Å; Q50-G54 PolarHBondContact NE2-O 2.78Å; Q50-G54 VanDerWaalsContact O-CA 3.31Å; Q50-G54 WeakPolarHBondContact O-CA 3.32Å; Q50-G54 PolarHBondContact O-N 3.48Å; Q50-G54 PolarHBondContact OE1-O 3.01Å
51	E	86.7	Confident	85.7	Confident	124 Å²	124	59 Å²	59	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-73.2	-48.6	178.2	-72.3	177	-179	0	0	113.1	Q47 I49	Q47-E51 HydrophobicContact CG-CG 4.26Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.41Å; Q47-E51 PolarHBondContact NE2-OE1 2.95Å; Q47-E51 WeakPolarHBondContact O-CB 3.11Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 2.82Å; I49-E51 PolarHBondContact O-N 2.84Å
52	A	83.6	Confident	86	Confident	31 Å²	31	59.6 Å²	59.6	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-83.9	-30.3	-169.7	0	0	0	0	0	113.3	K48 R62	K48-A52 WeakPolarHBondContact O-CB 3.32Å; K48-A52 PolarHBondContact O-N 3.4Å; A52-R62 PolarHBondContact O-NH1 3.43Å; A52-R62 PolarHBondContact O-NH2 2.98Å
53	Y	84.9	Confident	86.2	Confident	19 Å²	19	58.9 Å²	58.9	8%	0.075	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-14.3	-172.4	-53.5	-64.5	0	0	0	114.4	L37 I49 D55 L59	L37-Y53 HydrophobicContact CD2-CE2 4.06Å; I49-Y53 CarbonylContact O-C 3.07Å; I49-Y53 WeakPolarHBondContact O-CA 3.22Å; I49-Y53 PolarHBondContact O-N 3.09Å; Y53-D55 PolarHBondContact O-N 3.11Å; Y53-L59 HydrophobicContact CD1-CD1 4.16Å; Y53-L59 HydrophobicContact CD2-CB 4.39Å; Y53-L59 HydrophobicContact CD2-CD1 4.16Å; Y53-L59 HydrophobicContact CE1-CD1 4.08Å; Y53-L59 HydrophobicContact CE2-CD1 4.08Å; Y53-L59 HydrophobicContact CG-CB 4.14Å; Y53-L59 HydrophobicContact CG-CD1 4.22Å
54	G	84.9	Confident	86.5	Confident	35 Å²	35	61.5 Å²	61.5	36%	0.361	30%	0.298	S	S	.	.	S	Bend	trans	85.3	-45.6	-178	0	0	0	0	0	113.2	I49 Q50	I49-G54 PolarHBondContact O-N 2.86Å; I49-G54 VanDerWaalsContact O-N 3.08Å; Q50-G54 PolarHBondContact NE2-O 2.78Å; Q50-G54 VanDerWaalsContact O-CA 3.31Å; Q50-G54 WeakPolarHBondContact O-CA 3.32Å; Q50-G54 PolarHBondContact O-N 3.48Å; Q50-G54 PolarHBondContact OE1-O 3.01Å
55	D	84.6	Confident	86.7	Confident	65 Å²	65	56 Å²	56	35%	0.348	27%	0.273	S	S	.	.	S	Bend	trans	-162.9	179.1	170.2	83.9	-56.1	0	0	0	110.9	Y53 S57 G58 L59	Y53-D55 PolarHBondContact O-N 3.11Å; D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 VanDerWaalsContact CG-N 3.27Å; D55-S57 PolarHBondContact O-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.39Å; D55-S57 WeakPolarHBondContact OD2-CA 3.43Å; D55-S57 WeakPolarHBondContact OD2-CB 3.32Å; D55-S57 PolarHBondContact OD2-N 3.38Å; D55-S57 PolarHBondContact OD2-OG 3.35Å; D55-G58 WeakPolarHBondContact O-CA 3.47Å; D55-G58 PolarHBondContact O-N 2.99Å; D55-G58 VanDerWaalsContact O-N 3.1Å; D55-G58 PolarHBondContact OD1-N 3.17Å; D55-L59 PolarHBondContact O-N 3.31Å; D55-L59 VanDerWaalsContact O-N 3.08Å
56	V	85.4	Confident	86.8	Confident	25 Å²	25	57.5 Å²	57.5	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-31.4	176.4	-173.2	0	0	0	0	111.7	I49 G58 L59 C60 V230 I232 V275	I49-V56 HydrophobicContact CG2-CG2 4.3Å; V56-G58 VanDerWaalsContact C-N 3.35Å; V56-L59 PolarHBondContact O-N 2.96Å; V56-C60 PolarHBondContact O-N 3.33Å; V56-C60 PolarHBondContact O-SG 2.69Å; V56-V230 HydrophobicContact CG1-CG1 4.05Å; V56-V230 HydrophobicContact CG2-CG1 3.97Å; V56-I232 HydrophobicContact CG1-CG1 3.92Å; V56-V275 HydrophobicContact CG1-CG1 4.38Å
57	S	85.3	Confident	86.7	Confident	51 Å²	51	57.2 Å²	57.2	36%	0.357	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-35.6	172.2	-39.6	0	0	0	0	111.8	D55 C60 R61	D55-S57 VanDerWaalsContact C-N 3.27Å; D55-S57 VanDerWaalsContact CG-N 3.27Å; D55-S57 PolarHBondContact O-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.39Å; D55-S57 WeakPolarHBondContact OD2-CA 3.43Å; D55-S57 WeakPolarHBondContact OD2-CB 3.32Å; D55-S57 PolarHBondContact OD2-N 3.38Å; D55-S57 PolarHBondContact OD2-OG 3.35Å; S57-C60 PolarHBondContact O-N 2.94Å; S57-R61 WeakPolarHBondContact O-CB 3.21Å; S57-R61 PolarHBondContact O-N 2.85Å
58	G	86	Confident	86.4	Confident	6 Å²	6	56 Å²	56	6%	0.062	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-43	172	0	0	0	0	0	112.7	D55 V56 R61 R62	D55-G58 WeakPolarHBondContact O-CA 3.47Å; D55-G58 PolarHBondContact O-N 2.99Å; D55-G58 VanDerWaalsContact O-N 3.1Å; D55-G58 PolarHBondContact OD1-N 3.17Å; V56-G58 VanDerWaalsContact C-N 3.35Å; G58-R61 WeakPolarHBondContact O-CB 3.41Å; G58-R61 PolarHBondContact O-N 2.86Å; G58-R62 PolarHBondContact O-N 3.06Å
59	L	87.6	Confident	86.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-48.6	171.4	177	61.3	0	0	0	111	L34 L37 Y53 D55 V56 R61 R62 L63 V230 V275 T277	L34-L59 HydrophobicContact CD2-CD1 4.03Å; L37-L59 HydrophobicContact CD2-CD2 4.28Å; Y53-L59 HydrophobicContact CD1-CD1 4.16Å; Y53-L59 HydrophobicContact CD2-CB 4.39Å; Y53-L59 HydrophobicContact CD2-CD1 4.16Å; Y53-L59 HydrophobicContact CE1-CD1 4.08Å; Y53-L59 HydrophobicContact CE2-CD1 4.08Å; Y53-L59 HydrophobicContact CG-CB 4.14Å; Y53-L59 HydrophobicContact CG-CD1 4.22Å; D55-L59 PolarHBondContact O-N 3.31Å; D55-L59 VanDerWaalsContact O-N 3.08Å; V56-L59 PolarHBondContact O-N 2.96Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 2.83Å; L59-R62 PolarHBondContact O-N 2.63Å; L59-L63 HydrophobicContact CD1-CD1 4.09Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.17Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 2.9Å; L59-V230 HydrophobicContact CD2-CB 4.33Å; L59-V230 HydrophobicContact CD2-CG2 3.72Å; L59-V275 HydrophobicContact CD2-CG1 4.23Å; L59-T277 HydrophobicContact CD2-CG2 4.18Å
60	C	87.2	Confident	86.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-41.5	175.8	-65.6	0	0	0	0	112.1	V56 S57 R62 L63 K64 T65 P67	V56-C60 PolarHBondContact O-N 3.33Å; V56-C60 PolarHBondContact O-SG 2.69Å; S57-C60 PolarHBondContact O-N 2.94Å; C60-R62 PolarHBondContact O-N 2.76Å; C60-L63 CarbonylContact O-C 3.49Å; C60-L63 PolarHBondContact O-N 3.01Å; C60-K64 PolarHBondContact O-N 2.89Å; C60-T65 CarbonylContact C-O 3.56Å; C60-T65 HydrophobicContact CB-CG2 3.78Å; C60-T65 PolarHBondContact O-N 3.33Å; C60-P67 HydrophobicContact CB-CG 3.89Å
61	R	87.8	Confident	86.5	Confident	187 Å²	187	51.3 Å²	51.3	71%	0.706	27%	0.267	S	S	*	.	H	α-helix	trans	-63.1	-41.1	177.6	-166.3	-177.7	-58.6	146.8	8.4	112.2	S57 G58 L59 K64	S57-R61 WeakPolarHBondContact O-CB 3.21Å; S57-R61 PolarHBondContact O-N 2.85Å; G58-R61 WeakPolarHBondContact O-CB 3.41Å; G58-R61 PolarHBondContact O-N 2.86Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 2.83Å; R61-K64 PolarHBondContact O-N 3.2Å
62	R	88	Confident	86.3	Confident	96 Å²	96	48.4 Å²	48.4	36%	0.362	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-35.4	175.3	-68.4	-157.7	-166.5	157.4	9.4	112.8	G28 C29 A52 G58 L59 C60 K64	G28-R62 PolarHBondContact N-O 2.98Å; G28-R62 WeakPolarHBondContact O-CD 3.39Å; C29-R62 VanDerWaalsContact SG-CB 3.53Å; A52-R62 PolarHBondContact O-NH1 3.43Å; A52-R62 PolarHBondContact O-NH2 2.98Å; G58-R62 PolarHBondContact O-N 3.06Å; L59-R62 PolarHBondContact O-N 2.63Å; C60-R62 PolarHBondContact O-N 2.76Å; R62-K64 PolarHBondContact O-N 3.11Å
63	L	88.6	Confident	86	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.4	172.1	-66.9	178.3	0	0	0	114	C29 L34 L59 C60 T65 R81 V213 V275	C29-L63 HydrophobicContact CB-CD2 3.91Å; L34-L63 HydrophobicContact CD1-CD2 4Å; L34-L63 HydrophobicContact CD2-CD2 4.4Å; L59-L63 HydrophobicContact CD1-CD1 4.09Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.17Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 2.9Å; C60-L63 CarbonylContact O-C 3.49Å; C60-L63 PolarHBondContact O-N 3.01Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 HydrophobicContact CB-CG2 4.19Å; L63-T65 PolarHBondContact O-N 3.06Å; L63-R81 PolarHBondContact O-NH1 3.16Å; L63-R81 PolarHBondContact O-NH2 2.85Å; L63-R81 VanDerWaalsContact O-NH2 3.1Å; L63-V213 HydrophobicContact CD1-CG1 4.47Å; L63-V213 HydrophobicContact CD2-CG1 3.96Å; L63-V275 HydrophobicContact CD1-CG2 3.88Å
64	K	89.7	Confident	86	Confident	133 Å²	133	53.7 Å²	53.7	58%	0.578	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	49.9	-176.8	-64.5	177	170.9	172.7	0	112.2	G26 F27 C60 R61 R62 R81	G26-K64 WeakPolarHBondContact O-CE 3.15Å; G26-K64 PolarHBondContact O-NZ 3.34Å; F27-K64 HydrophobicContact CD1-CB 4.3Å; F27-K64 HydrophobicContact CD1-CD 3.97Å; F27-K64 HydrophobicContact CD1-CG 4.29Å; F27-K64 HydrophobicContact CE1-CB 4.35Å; F27-K64 HydrophobicContact CE1-CD 4.13Å; C60-K64 PolarHBondContact O-N 2.89Å; R61-K64 PolarHBondContact O-N 3.2Å; R62-K64 PolarHBondContact O-N 3.11Å; K64-R81 PolarHBondContact O-NH2 2.9Å
65	T	89.6	Confident	86.1	Confident	13 Å²	13	57 Å²	57	8%	0.08	30%	0.302	C	S	.	.			trans	-128.8	148.7	176.2	-168.7	0	0	0	0	110.7	C60 L63 G70 L71 G214 I216 V275	C60-T65 CarbonylContact C-O 3.56Å; C60-T65 HydrophobicContact CB-CG2 3.78Å; C60-T65 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 HydrophobicContact CB-CG2 4.19Å; L63-T65 PolarHBondContact O-N 3.06Å; T65-G70 PolarHBondContact OG1-O 2.64Å; T65-L71 WeakPolarHBondContact OG1-CD2 3.11Å; T65-G214 WeakPolarHBondContact CB-O 3.2Å; T65-G214 WeakPolarHBondContact CG2-O 3.46Å; T65-G214 PolarHBondContact OG1-O 3.27Å; T65-I216 HydrophobicContact CG2-CD1 4.08Å; T65-V275 HydrophobicContact CG2-CG2 4.05Å
66	S	88.8	Confident	86.2	Confident	31 Å²	31	59.1 Å²	59.1	22%	0.217	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-93	124.9	178	176.2	0	0	0	0	110.2	T68 E69 G70 I216	S66-T68 PolarHBondContact O-N 3.39Å; S66-T68 VanDerWaalsContact O-N 3.09Å; S66-T68 PolarHBondContact OG-OG1 3.4Å; S66-E69 PolarHBondContact O-N 2.98Å; S66-E69 PolarHBondContact OG-N 3.08Å; S66-E69 VanDerWaalsContact OG-N 3.16Å; S66-G70 PolarHBondContact N-O 3.29Å; S66-G70 VanDerWaalsContact O-CA 3.25Å; S66-G70 WeakPolarHBondContact O-CA 3.18Å; S66-G70 PolarHBondContact O-N 2.79Å; S66-I216 WeakPolarHBondContact O-CG1 3.43Å
67	P	83.4	Confident	86.3	Confident	39 Å²	39	59.9 Å²	59.9	25%	0.253	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	177.2	-24.5	33.7	0	0	0	114.4	C60 I232	C60-P67 HydrophobicContact CB-CG 3.89Å; P67-I232 HydrophobicContact CB-CG2 4.27Å
68	T	82.4	Confident	86.5	Confident	93 Å²	93	58 Å²	58	57%	0.571	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-39.8	-179.2	48	0	0	0	0	113.3	S66	S66-T68 PolarHBondContact O-N 3.39Å; S66-T68 VanDerWaalsContact O-N 3.09Å; S66-T68 PolarHBondContact OG-OG1 3.4Å
69	E	83.3	Confident	86.6	Confident	119 Å²	119	61.6 Å²	61.6	56%	0.556	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-12.2	-172.4	-61	171.9	164.4	0	0	114	S66 R199 N200 G201	S66-E69 PolarHBondContact O-N 2.98Å; S66-E69 PolarHBondContact OG-N 3.08Å; S66-E69 VanDerWaalsContact OG-N 3.16Å; E69-R199 CarbonylContact O-C 3.56Å; E69-N200 PolarHBondContact O-N 3.12Å; E69-G201 PolarHBondContact O-N 2.84Å
70	G	88.9	Confident	86.7	Confident	7 Å²	7	66.9 Å²	66.9	7%	0.072	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	75.3	-147.6	-179.6	0	0	0	0	0	115.1	T65 S66 I198	T65-G70 PolarHBondContact OG1-O 2.64Å; S66-G70 PolarHBondContact N-O 3.29Å; S66-G70 VanDerWaalsContact O-CA 3.25Å; S66-G70 WeakPolarHBondContact O-CA 3.18Å; S66-G70 PolarHBondContact O-N 2.79Å; G70-I198 WeakPolarHBondContact CA-O 3.35Å
71	L	90.2	Very high	86.9	Confident	4 Å²	4	67 Å²	67	2%	0.021	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-82.6	150.8	173.1	-67.1	-177.2	0	0	0	111.2	T65 L78 R81 R199 N200 V212 G214	T65-L71 WeakPolarHBondContact OG1-CD2 3.11Å; L71-L78 HydrophobicContact CD1-CD2 4.02Å; L71-R81 VanDerWaalsContact CD2-CZ 3.4Å; L71-R81 VanDerWaalsContact CD2-NH2 3.33Å; L71-R199 HydrophobicContact CB-CG 4.38Å; L71-R199 CarbonylContact O-C 3.56Å; L71-R199 VanDerWaalsContact O-CA 3.22Å; L71-R199 WeakPolarHBondContact O-CA 3.39Å; L71-R199 WeakPolarHBondContact O-CB 3.3Å; L71-N200 PolarHBondContact O-N 2.92Å; L71-V212 HydrophobicContact CD1-CG2 3.76Å; L71-G214 WeakPolarHBondContact CG-O 3.31Å
72	A	82.1	Confident	87	Confident	62 Å²	62	61.3 Å²	61.3	51%	0.512	32%	0.32	S	S	.	.			trans	-71.8	132	162.1	0	0	0	0	0	109.2	N74 N200	A72-N74 PolarHBondContact O-N 3.47Å; A72-N200 WeakPolarHBondContact CA-OD1 3.48Å
73	D	77	Confident	87.1	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	34%	0.336	S	S	.	.			trans	-78.5	59.5	-176.9	-155.7	49.5	0	0	0	112.1	R199 N200	D73-R199 HydrophobicContact CB-CB 4.49Å; D73-R199 VanDerWaalsContact OD1-CD 3.25Å; D73-R199 WeakPolarHBondContact OD1-CD 3.29Å; D73-R199 IonicContact OD1-CZ 3.86Å; D73-R199 IonicContact OD1-NE 3.85Å; D73-R199 IonicContact OD1-NH1 2.66Å; D73-R199 PolarHBondContact OD1-NH1 3.02Å; D73-N200 WeakPolarHBondContact CB-ND2 3.36Å; D73-N200 PolarHBondContact N-OD1 3.29Å
74	N	86	Confident	87.1	Confident	81 Å²	81	66 Å²	66	43%	0.433	35%	0.347	S	S	.	.			trans	-101.5	112	177.9	-179.2	-9.2	0	0	0	109.3	A72 N76 D77 L78	A72-N74 PolarHBondContact O-N 3.47Å; N74-N76 PolarHBondContact O-N 3.13Å; N74-N76 VanDerWaalsContact O-N 3.09Å; N74-N76 WeakPolarHBondContact OD1-CB 3.27Å; N74-N76 PolarHBondContact OD1-N 3.03Å; N74-N76 VanDerWaalsContact OD1-N 3.1Å; N74-D77 HydrophobicContact CB-CB 4.36Å; N74-D77 PolarHBondContact O-N 3.07Å; N74-L78 PolarHBondContact O-N 3.35Å; N74-L78 VanDerWaalsContact O-N 3.15Å
75	T	85.3	Confident	87.2	Confident	105 Å²	105	59.8 Å²	59.8	64%	0.644	32%	0.32	S	S	*	.	H	α-helix	trans	-52.5	-34.2	-179.2	52	0	0	0	0	113.4	D77 E79	T75-D77 VanDerWaalsContact C-N 3.35Å; T75-D77 PolarHBondContact O-N 3.38Å; T75-E79 WeakPolarHBondContact O-CB 3.46Å; T75-E79 PolarHBondContact O-N 2.78Å
76	N	87.1	Confident	87.2	Confident	110 Å²	110	60.3 Å²	60.3	59%	0.588	33%	0.328	S	S	*	.	H	α-helix	trans	-73.9	-20	178.5	-66.5	-67.3	0	0	0	114.1	N74 K80	N74-N76 PolarHBondContact O-N 3.13Å; N74-N76 VanDerWaalsContact O-N 3.09Å; N74-N76 WeakPolarHBondContact OD1-CB 3.27Å; N74-N76 PolarHBondContact OD1-N 3.03Å; N74-N76 VanDerWaalsContact OD1-N 3.1Å; N76-K80 VanDerWaalsContact O-CD 3.27Å; N76-K80 WeakPolarHBondContact O-CD 3.41Å; N76-K80 WeakPolarHBondContact O-CG 3.28Å
77	D	88	Confident	87.3	Confident	40 Å²	40	63.5 Å²	63.5	21%	0.214	34%	0.34	C	S	.	.	H	α-helix	trans	-86.8	-42.9	173.6	-162.2	64.2	0	0	0	110.6	F27 N74 T75 E79 K80 R81	F27-D77 WeakPolarHBondContact CZ-OD1 3.41Å; N74-D77 HydrophobicContact CB-CB 4.36Å; N74-D77 PolarHBondContact O-N 3.07Å; T75-D77 VanDerWaalsContact C-N 3.35Å; T75-D77 PolarHBondContact O-N 3.38Å; D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.79Å; D77-K80 PolarHBondContact O-N 2.9Å; D77-R81 WeakPolarHBondContact O-CG 3.46Å; D77-R81 PolarHBondContact O-N 2.96Å; D77-R81 IonicContact OD2-CZ 3.62Å; D77-R81 VanDerWaalsContact OD2-CZ 3.25Å; D77-R81 IonicContact OD2-NE 2.66Å; D77-R81 PolarHBondContact OD2-NE 3.25Å; D77-R81 IonicContact OD2-NH2 3.52Å; D77-R81 PolarHBondContact OD2-NH2 3Å
78	L	89.4	Confident	87.6	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-57.9	-42.7	175	-60.4	175.7	0	0	0	111.7	L71 N74 R81 R82 V212	L71-L78 HydrophobicContact CD1-CD2 4.02Å; N74-L78 PolarHBondContact O-N 3.35Å; N74-L78 VanDerWaalsContact O-N 3.15Å; L78-R81 PolarHBondContact O-N 3.26Å; L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.19Å; L78-R82 VanDerWaalsContact O-N 3.11Å; L78-V212 HydrophobicContact CD2-CG2 3.67Å
79	E	88.2	Confident	87.7	Confident	81 Å²	81	61.8 Å²	61.8	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-72.3	-34.4	179.3	-163.2	55.9	-141.7	0	0	112.6	T75 D77 R82 Q83	T75-E79 WeakPolarHBondContact O-CB 3.46Å; T75-E79 PolarHBondContact O-N 2.78Å; D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.79Å; E79-R82 PolarHBondContact O-N 3.34Å; E79-R82 VanDerWaalsContact OE2-CD 3.29Å; E79-R82 WeakPolarHBondContact OE2-CD 3.37Å; E79-R82 IonicContact OE2-CZ 2.71Å; E79-R82 IonicContact OE2-NE 3.87Å; E79-R82 IonicContact OE2-NH1 2.66Å; E79-R82 PolarHBondContact OE2-NH1 2.89Å; E79-Q83 WeakPolarHBondContact O-CG 3.5Å; E79-Q83 PolarHBondContact O-N 3.07Å
80	K	89.6	Confident	87.4	Confident	110 Å²	110	58.8 Å²	58.8	48%	0.478	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-41.1	170.4	-75.3	171.5	-171.6	175.6	0	111.9	N76 D77 R82 Q83 I84	N76-K80 VanDerWaalsContact O-CD 3.27Å; N76-K80 WeakPolarHBondContact O-CD 3.41Å; N76-K80 WeakPolarHBondContact O-CG 3.28Å; D77-K80 PolarHBondContact O-N 2.9Å; K80-R82 VanDerWaalsContact C-N 3.31Å; K80-R82 PolarHBondContact O-N 2.79Å; K80-Q83 PolarHBondContact O-N 2.92Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CD1 3.48Å; K80-I84 VanDerWaalsContact O-CG1 3.32Å; K80-I84 WeakPolarHBondContact O-CG1 3.43Å; K80-I84 PolarHBondContact O-N 2.75Å
81	R	91.6	Very high	86.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-41.1	175.4	-70.3	167.1	-171.8	-85.7	-5.8	111.3	F27 L63 K64 L71 D77 L78 I84 Y85 V212 V213	F27-R81 HydrophobicContact CE2-CG 4.47Å; F27-R81 HydrophobicContact CZ-CG 4.06Å; L63-R81 PolarHBondContact O-NH1 3.16Å; L63-R81 PolarHBondContact O-NH2 2.85Å; L63-R81 VanDerWaalsContact O-NH2 3.1Å; K64-R81 PolarHBondContact O-NH2 2.9Å; L71-R81 VanDerWaalsContact CD2-CZ 3.4Å; L71-R81 VanDerWaalsContact CD2-NH2 3.33Å; D77-R81 WeakPolarHBondContact O-CG 3.46Å; D77-R81 PolarHBondContact O-N 2.96Å; D77-R81 IonicContact OD2-CZ 3.62Å; D77-R81 VanDerWaalsContact OD2-CZ 3.25Å; D77-R81 IonicContact OD2-NE 2.66Å; D77-R81 PolarHBondContact OD2-NE 3.25Å; D77-R81 IonicContact OD2-NH2 3.52Å; D77-R81 PolarHBondContact OD2-NH2 3Å; L78-R81 PolarHBondContact O-N 3.26Å; R81-I84 PolarHBondContact O-N 3.23Å; R81-Y85 HydrophobicContact CB-CD2 4.34Å; R81-Y85 WeakPolarHBondContact O-CB 3.2Å; R81-Y85 PolarHBondContact O-N 2.9Å; R81-V212 HydrophobicContact CB-CB 4.05Å; R81-V212 HydrophobicContact CB-CG1 4.48Å; R81-V212 HydrophobicContact CB-CG2 4.33Å; R81-V213 WeakPolarHBondContact CD-O 3.21Å; R81-V213 PolarHBondContact NH1-O 2.75Å
82	R	90.5	Very high	85.6	Confident	69 Å²	69	65.4 Å²	65.4	26%	0.26	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-41.9	173.8	-69.1	168.4	-177.3	166.5	-2.5	112.8	L78 E79 K80 I84 G86 V212	L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.19Å; L78-R82 VanDerWaalsContact O-N 3.11Å; E79-R82 PolarHBondContact O-N 3.34Å; E79-R82 VanDerWaalsContact OE2-CD 3.29Å; E79-R82 WeakPolarHBondContact OE2-CD 3.37Å; E79-R82 IonicContact OE2-CZ 2.71Å; E79-R82 IonicContact OE2-NE 3.87Å; E79-R82 IonicContact OE2-NH1 2.66Å; E79-R82 PolarHBondContact OE2-NH1 2.89Å; K80-R82 VanDerWaalsContact C-N 3.31Å; K80-R82 PolarHBondContact O-N 2.79Å; R82-I84 VanDerWaalsContact C-N 3.32Å; R82-I84 PolarHBondContact O-N 2.87Å; R82-G86 WeakPolarHBondContact CA-O 3.49Å; R82-G86 CarbonylContact O-C 3.55Å; R82-G86 WeakPolarHBondContact O-CA 3.3Å; R82-G86 PolarHBondContact O-N 3.48Å; R82-V212 HydrophobicContact CG-CG1 3.82Å
83	Q	88.9	Confident	84.8	Confident	148 Å²	148	69.8 Å²	69.8	69%	0.692	36%	0.358	S	S	*	.	H	α-helix	trans	-67.9	-29.2	178.3	-70	171.5	11.3	0	0	113.4	E79 K80	E79-Q83 WeakPolarHBondContact O-CG 3.5Å; E79-Q83 PolarHBondContact O-N 3.07Å; K80-Q83 PolarHBondContact O-N 2.92Å
84	I	89.8	Confident	84.6	Confident	47 Å²	47	74.1 Å²	74.1	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-94.5	-40.5	-176.3	-66	162.4	0	0	0	112.5	F27 K80 R81 R82	F27-I84 HydrophobicContact CD2-CD1 3.78Å; F27-I84 HydrophobicContact CE2-CD1 3.75Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CD1 3.48Å; K80-I84 VanDerWaalsContact O-CG1 3.32Å; K80-I84 WeakPolarHBondContact O-CG1 3.43Å; K80-I84 PolarHBondContact O-N 2.75Å; R81-I84 PolarHBondContact O-N 3.23Å; R82-I84 VanDerWaalsContact C-N 3.32Å; R82-I84 PolarHBondContact O-N 2.87Å
85	Y	91.1	Very high	84.1	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	38%	0.377	C	S	.	.	H	α-helix	trans	-111.5	-5.4	-173	-56.6	-68.3	0	0	0	114.3	F27 C29 L31 L34 R81 V213 N282	F27-Y85 WeakPolarHBondContact CB-OH 3.36Å; F27-Y85 HydrophobicContact CD2-CE2 4.32Å; F27-Y85 HydrophobicContact CG-CE2 4.47Å; C29-Y85 WeakPolarHBondContact O-CE1 3.47Å; C29-Y85 PolarHBondContact O-OH 2.76Å; L31-Y85 HydrophobicContact CB-CD1 4.18Å; L31-Y85 HydrophobicContact CD1-CD1 4.3Å; L34-Y85 HydrophobicContact CD1-CD1 3.86Å; L34-Y85 HydrophobicContact CD1-CE1 3.57Å; R81-Y85 HydrophobicContact CB-CD2 4.34Å; R81-Y85 WeakPolarHBondContact O-CB 3.2Å; R81-Y85 PolarHBondContact O-N 2.9Å; Y85-V213 HydrophobicContact CD1-CG1 4.32Å; Y85-V213 HydrophobicContact CD2-CB 3.82Å; Y85-V213 HydrophobicContact CD2-CG1 4.01Å; Y85-V213 HydrophobicContact CD2-CG2 4.48Å; Y85-V213 HydrophobicContact CE2-CB 4.49Å; Y85-V213 HydrophobicContact CE2-CG1 4.25Å; Y85-V213 HydrophobicContact CG-CB 3.88Å; Y85-V213 HydrophobicContact CG-CG1 4.05Å; Y85-V213 HydrophobicContact CG-CG2 4.06Å; Y85-N282 PolarHBondContact O-ND2 3.27Å
86	G	89.8	Confident	83.9	Confident	25 Å²	25	72.1 Å²	72.1	26%	0.258	36%	0.361	S	S	.	.			trans	91	169.1	-174.3	0	0	0	0	0	113.7	R82 V279	R82-G86 WeakPolarHBondContact CA-O 3.49Å; R82-G86 CarbonylContact O-C 3.55Å; R82-G86 WeakPolarHBondContact O-CA 3.3Å; R82-G86 PolarHBondContact O-N 3.48Å; G86-V279 WeakPolarHBondContact O-CG2 3.29Å
87	Q	90	Very high	84	Confident	97 Å²	97	70.8 Å²	70.8	45%	0.453	36%	0.357	S	S	.	.			trans	-95.2	150.8	173.8	-176.8	176.4	5.5	0	0	110.3	F89 A209	Q87-F89 HydrophobicContact CG-CB 4.23Å; Q87-F89 PolarHBondContact O-N 2.84Å; Q87-A209 PolarHBondContact NE2-O 2.82Å
88	N	90.1	Very high	84	Confident	12 Å²	12	72.2 Å²	72.2	6%	0.064	36%	0.361	C	S	.	.	S	Bend	trans	-75.2	58.9	173.5	-157	37.9	0	0	0	113.3	V208 A209 L211 P226 V279 G280	N88-V208 PolarHBondContact ND2-O 3.29Å; N88-A209 WeakPolarHBondContact O-CA 3.45Å; N88-L211 HydrophobicContact CB-CB 4.26Å; N88-P226 PolarHBondContact ND2-O 2.77Å; N88-P226 PolarHBondContact OD1-O 3.47Å; N88-V279 HydrophobicContact CB-CB 3.83Å; N88-V279 HydrophobicContact CB-CG1 4.15Å; N88-V279 WeakPolarHBondContact OD1-CA 3.45Å; N88-V279 WeakPolarHBondContact OD1-CB 3.3Å; N88-G280 PolarHBondContact OD1-N 2.87Å
89	F	84.8	Confident	84	Confident	85 Å²	85	77.9 Å²	77.9	37%	0.373	39%	0.391	S	S	.	.			trans	-140.1	128.2	179.8	-179.3	-110.1	0	0	0	109.6	Q87 P91 P92	Q87-F89 HydrophobicContact CG-CB 4.23Å; Q87-F89 PolarHBondContact O-N 2.84Å; F89-P91 HydrophobicContact CE1-CB 4.31Å; F89-P92 HydrophobicContact CZ-CG 4.5Å
90	I	78.2	Confident	84	Confident	56 Å²	56	78.5 Å²	78.5	29%	0.287	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-99.2	117.4	172.5	-60.9	170.1	0	0	0	106.3	P92 F289	I90-P92 WeakPolarHBondContact O-CD 3.36Å; I90-F289 HydrophobicContact CG2-CD1 4.02Å
91	P	69.8	Low	83.7	Confident	83 Å²	83	73.9 Å²	73.9	54%	0.539	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.1	124	-174	26.2	-33.1	0	0	0	111	F89	F89-P91 HydrophobicContact CE1-CB 4.31Å
92	P	70.3	Confident	83.5	Confident	67 Å²	67	74.9 Å²	74.9	44%	0.435	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-69.8	160.5	176.2	29.8	-35.4	0	0	0	111.1	F89 I90 Q94	F89-P92 HydrophobicContact CZ-CG 4.5Å; I90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-Q94 PolarHBondContact O-N 3.22Å
93	K	66.1	Low	83.5	Confident	154 Å²	154	79.7 Å²	79.7	67%	0.67	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-54.1	133	178.4	-173.9	164.8	-175.6	169.9	0	111.2	R183 E297	K93-R183 PolarHBondContact O-NH2 3.36Å; K93-R183 VanDerWaalsContact O-NH2 3.12Å; K93-E297 VanDerWaalsContact CE-OE1 3.31Å; K93-E297 WeakPolarHBondContact CE-OE1 3.41Å; K93-E297 IonicContact NZ-OE1 3.16Å; K93-E297 PolarHBondContact NZ-OE1 2.94Å
94	Q	72.6	Confident	83.1	Confident	171 Å²	171	76.9 Å²	76.9	80%	0.799	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-56.5	146.9	-177.1	-66.5	-170.2	6.3	0	0	111.3	P92	P92-Q94 PolarHBondContact O-N 3.22Å
95	P	74.9	Confident	82.5	Confident	71 Å²	71	75.7 Å²	75.7	46%	0.461	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.1	146.9	175.8	24.6	-33.2	0	0	0	111.8	T97 E179	P95-T97 PolarHBondContact O-N 3.37Å; P95-E179 WeakPolarHBondContact CA-OE1 3.39Å
96	K	81.2	Confident	82.1	Confident	73 Å²	73	77.9 Å²	77.9	32%	0.317	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-62	130.4	159.2	-69.4	-178.5	175.7	179.2	0	107.2	Q100 L101 E104	K96-Q100 HydrophobicContact CB-CG 4.44Å; K96-L101 HydrophobicContact CB-CD2 3.95Å; K96-L101 HydrophobicContact CB-CG 3.97Å; K96-L101 HydrophobicContact CD-CD2 3.66Å; K96-L101 HydrophobicContact CG-CD2 4.47Å; K96-E104 WeakPolarHBondContact CD-OE2 3.48Å; K96-E104 WeakPolarHBondContact CE-OE2 3.35Å; K96-E104 IonicContact NZ-OE1 2.78Å; K96-E104 PolarHBondContact NZ-OE1 3.27Å; K96-E104 IonicContact NZ-OE2 3.17Å; K96-E104 PolarHBondContact NZ-OE2 3.36Å
97	T	89.3	Confident	81.6	Confident	81 Å²	81	81.7 Å²	81.7	50%	0.497	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.3	156.4	174.5	66.4	0	0	0	0	109.6	P95 L99 Q100 L101	P95-T97 PolarHBondContact O-N 3.37Å; T97-L99 PolarHBondContact O-N 3Å; T97-Q100 WeakPolarHBondContact O-CA 3.42Å; T97-Q100 WeakPolarHBondContact O-CB 3.45Å; T97-Q100 PolarHBondContact O-N 3.36Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.14Å; T97-Q100 PolarHBondContact OG1-N 2.87Å; T97-L101 PolarHBondContact O-N 3.21Å
98	F	87.9	Confident	80.9	Confident	70 Å²	70	80.4 Å²	80.4	31%	0.307	40%	0.402	S	S	.	.	H	α-helix	trans	-55.1	-40.2	175.6	177.2	-100.3	0	0	0	111.9	Q100 L101 V102 L169 A172 F173 W176	F98-Q100 VanDerWaalsContact C-N 3.31Å; F98-Q100 PolarHBondContact O-N 2.84Å; F98-L101 PolarHBondContact O-N 3.41Å; F98-V102 HydrophobicContact CD1-CG2 4.22Å; F98-V102 HydrophobicContact CE1-CG2 3.76Å; F98-V102 HydrophobicContact CE2-CG2 4.44Å; F98-V102 HydrophobicContact CZ-CG2 3.89Å; F98-V102 WeakPolarHBondContact O-CG2 3.46Å; F98-V102 PolarHBondContact O-N 3.32Å; F98-L169 HydrophobicContact CE1-CD2 4.1Å; F98-L169 HydrophobicContact CZ-CD2 4.02Å; F98-A172 HydrophobicContact CE2-CB 4.05Å; F98-A172 HydrophobicContact CZ-CB 4.42Å; F98-F173 HydrophobicContact CE2-CB 4.18Å; F98-W176 HydrophobicContact CD2-CB 4.16Å; F98-W176 HydrophobicContact CD2-CG 4.37Å
99	L	89.8	Confident	80	Confident	132 Å²	132	82.9 Å²	82.9	69%	0.691	42%	0.417	S	S	*	.	H	α-helix	trans	-64.8	-31.9	175	-65.4	175.8	0	0	0	113.2	T97 W103	T97-L99 PolarHBondContact O-N 3Å; L99-W103 WeakPolarHBondContact O-CB 3.28Å; L99-W103 PolarHBondContact O-N 2.77Å
100	Q	87.4	Confident	79.2	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-37	174.6	-175	176.5	4.7	0	0	111.8	K96 T97 F98 W103 E104	K96-Q100 HydrophobicContact CB-CG 4.44Å; T97-Q100 WeakPolarHBondContact O-CA 3.42Å; T97-Q100 WeakPolarHBondContact O-CB 3.45Å; T97-Q100 PolarHBondContact O-N 3.36Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.14Å; T97-Q100 PolarHBondContact OG1-N 2.87Å; F98-Q100 VanDerWaalsContact C-N 3.31Å; F98-Q100 PolarHBondContact O-N 2.84Å; Q100-W103 PolarHBondContact O-N 2.87Å; Q100-E104 VanDerWaalsContact O-CB 3.31Å; Q100-E104 WeakPolarHBondContact O-CB 3.44Å; Q100-E104 PolarHBondContact O-N 3.38Å
101	L	84.5	Confident	78.9	Confident	12 Å²	12	77.7 Å²	77.7	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-68.5	-38.8	173.5	-66.7	170.2	0	0	0	111.8	K96 T97 F98 E104 A105 A172 W176	K96-L101 HydrophobicContact CB-CD2 3.95Å; K96-L101 HydrophobicContact CB-CG 3.97Å; K96-L101 HydrophobicContact CD-CD2 3.66Å; K96-L101 HydrophobicContact CG-CD2 4.47Å; T97-L101 PolarHBondContact O-N 3.21Å; F98-L101 PolarHBondContact O-N 3.41Å; L101-E104 PolarHBondContact O-N 3.04Å; L101-A105 WeakPolarHBondContact O-CB 3.48Å; L101-A105 PolarHBondContact O-N 2.76Å; L101-A172 HydrophobicContact CB-CB 4.18Å; L101-W176 HydrophobicContact CD1-CB 3.81Å
102	V	87.4	Confident	79.3	Confident	23 Å²	23	76.4 Å²	76.4	14%	0.139	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-46.3	170.2	167.5	0	0	0	0	111	F98 E104 A105 L106 V168 L169 A172	F98-V102 HydrophobicContact CD1-CG2 4.22Å; F98-V102 HydrophobicContact CE1-CG2 3.76Å; F98-V102 HydrophobicContact CE2-CG2 4.44Å; F98-V102 HydrophobicContact CZ-CG2 3.89Å; F98-V102 WeakPolarHBondContact O-CG2 3.46Å; F98-V102 PolarHBondContact O-N 3.32Å; V102-E104 VanDerWaalsContact C-N 3.31Å; V102-E104 PolarHBondContact O-N 2.84Å; V102-A105 PolarHBondContact O-N 2.98Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 WeakPolarHBondContact O-CG 3.16Å; V102-L106 PolarHBondContact O-N 2.92Å; V102-V168 HydrophobicContact CG1-CG1 3.93Å; V102-L169 HydrophobicContact CG2-CD2 4.06Å; V102-A172 HydrophobicContact CB-CB 4.33Å; V102-A172 HydrophobicContact CG2-CB 3.51Å
103	W	88.9	Confident	79.4	Confident	171 Å²	171	76 Å²	76	65%	0.648	38%	0.377	S	S	*	.	H	α-helix	trans	-66.5	-29.7	177.7	-176.6	-102.4	0	0	0	113.7	L99 Q100 Q107	L99-W103 WeakPolarHBondContact O-CB 3.28Å; L99-W103 PolarHBondContact O-N 2.77Å; Q100-W103 PolarHBondContact O-N 2.87Å; W103-Q107 VanDerWaalsContact CD1-NE2 3.31Å; W103-Q107 WeakPolarHBondContact O-CG 3.36Å
104	E	80.6	Confident	79.7	Confident	89 Å²	89	68.9 Å²	68.9	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-77.4	-37.5	176.6	-169.9	168.5	-162.4	0	0	111.7	K96 Q100 L101 V102 L106 Q107	K96-E104 WeakPolarHBondContact CD-OE2 3.48Å; K96-E104 WeakPolarHBondContact CE-OE2 3.35Å; K96-E104 IonicContact NZ-OE1 2.78Å; K96-E104 PolarHBondContact NZ-OE1 3.27Å; K96-E104 IonicContact NZ-OE2 3.17Å; K96-E104 PolarHBondContact NZ-OE2 3.36Å; Q100-E104 VanDerWaalsContact O-CB 3.31Å; Q100-E104 WeakPolarHBondContact O-CB 3.44Å; Q100-E104 PolarHBondContact O-N 3.38Å; L101-E104 PolarHBondContact O-N 3.04Å; V102-E104 VanDerWaalsContact C-N 3.31Å; V102-E104 PolarHBondContact O-N 2.84Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-Q107 WeakPolarHBondContact O-CB 3.35Å; E104-Q107 PolarHBondContact O-N 2.88Å; E104-Q107 VanDerWaalsContact O-N 3.14Å
105	A	77.7	Confident	80	Confident	22 Å²	22	63.1 Å²	63.1	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-35.1	171	0	0	0	0	0	112.4	L101 V102 Q107 D108 V168	L101-A105 WeakPolarHBondContact O-CB 3.48Å; L101-A105 PolarHBondContact O-N 2.76Å; V102-A105 PolarHBondContact O-N 2.98Å; A105-Q107 PolarHBondContact O-N 2.62Å; A105-D108 PolarHBondContact O-N 2.87Å; A105-V168 HydrophobicContact CB-CG1 4.2Å
106	L	82.5	Confident	80.3	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.246	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-3.4	172.2	-73.3	166.3	0	0	0	114.3	V102 E104 I112 E115 V168	V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 WeakPolarHBondContact O-CG 3.16Å; V102-L106 PolarHBondContact O-N 2.92Å; E104-L106 VanDerWaalsContact C-N 3.34Å; L106-I112 WeakPolarHBondContact O-CG1 3.46Å; L106-E115 WeakPolarHBondContact CD2-OE1 3.14Å; L106-V168 HydrophobicContact CD1-CG1 4.47Å; L106-V168 HydrophobicContact CD2-CG1 4.16Å; L106-V168 HydrophobicContact CD2-CG2 3.87Å; L106-V168 HydrophobicContact CG-CG1 3.88Å; L106-V168 HydrophobicContact CG-CG2 4.3Å
107	Q	80.7	Confident	79.7	Confident	105 Å²	105	60.2 Å²	60.2	49%	0.491	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.5	175.7	-73.1	176.6	25	0	0	113.9	W103 E104 A105 V109	W103-Q107 VanDerWaalsContact CD1-NE2 3.31Å; W103-Q107 WeakPolarHBondContact O-CG 3.36Å; E104-Q107 WeakPolarHBondContact O-CB 3.35Å; E104-Q107 PolarHBondContact O-N 2.88Å; E104-Q107 VanDerWaalsContact O-N 3.14Å; A105-Q107 PolarHBondContact O-N 2.62Å; Q107-V109 PolarHBondContact O-N 2.82Å
108	D	73.9	Confident	79.1	Confident	69 Å²	69	56.4 Å²	56.4	37%	0.369	28%	0.283	S	S	.	.			trans	-67.3	134.6	171.4	-152.8	-58.4	0	0	0	111.3	A105 T110 L111 I112	A105-D108 PolarHBondContact O-N 2.87Å; D108-T110 VanDerWaalsContact C-N 3.29Å; D108-T110 PolarHBondContact O-N 2.76Å; D108-T110 PolarHBondContact OD1-N 2.87Å; D108-T110 PolarHBondContact OD1-OG1 3.3Å; D108-T110 VanDerWaalsContact OD1-OG1 3.11Å; D108-L111 HydrophobicContact CB-CB 4.45Å; D108-L111 HydrophobicContact CB-CD1 4.3Å; D108-L111 HydrophobicContact CB-CG 4.25Å; D108-L111 PolarHBondContact O-N 3.05Å; D108-I112 WeakPolarHBondContact O-CB 3.47Å; D108-I112 WeakPolarHBondContact O-CD1 3.13Å; D108-I112 VanDerWaalsContact O-CG1 3.25Å; D108-I112 WeakPolarHBondContact O-CG1 3.4Å; D108-I112 PolarHBondContact O-N 3.47Å
109	V	71.1	Confident	78.8	Confident	65 Å²	65	57.6 Å²	57.6	39%	0.394	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-30	-179.4	-178.2	0	0	0	0	110.9	Q107 I113 Q1101	Q107-V109 PolarHBondContact O-N 2.82Å; V109-I113 HydrophobicContact CG1-CD1 3.9Å; V109-I113 HydrophobicContact CG1-CG1 4.48Å; V109-I113 WeakPolarHBondContact O-CB 3.19Å; V109-I113 WeakPolarHBondContact O-CD1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.12Å; V109-I113 PolarHBondContact O-N 2.74Å; V109-I113 VanDerWaalsContact O-N 3.11Å; V109-Q1101 HydrophobicContact CG2-CG 4.45Å
110	T	68.1	Low	78.2	Confident	20 Å²	20	54.5 Å²	54.5	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-50.5	175.2	61.2	0	0	0	0	110.7	D108 I113 L114 E431	D108-T110 VanDerWaalsContact C-N 3.29Å; D108-T110 PolarHBondContact O-N 2.76Å; D108-T110 PolarHBondContact OD1-N 2.87Å; D108-T110 PolarHBondContact OD1-OG1 3.3Å; D108-T110 VanDerWaalsContact OD1-OG1 3.11Å; T110-I113 PolarHBondContact O-N 3.39Å; T110-L114 PolarHBondContact O-N 3.13Å; T110-E431 PolarHBondContact OG1-OE1 3.07Å
111	L	72.8	Confident	77.3	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-43.2	-179.4	-60.7	-179.2	0	0	0	111.6	D108 I113 L114 E115 V164 V168	D108-L111 HydrophobicContact CB-CB 4.45Å; D108-L111 HydrophobicContact CB-CD1 4.3Å; D108-L111 HydrophobicContact CB-CG 4.25Å; D108-L111 PolarHBondContact O-N 3.05Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 2.9Å; L111-L114 PolarHBondContact O-N 3.02Å; L111-L114 VanDerWaalsContact O-N 3.12Å; L111-E115 WeakPolarHBondContact O-CG 3.42Å; L111-E115 PolarHBondContact O-N 2.98Å; L111-V164 HydrophobicContact CB-CG1 4.48Å; L111-V164 HydrophobicContact CD2-CG1 4.44Å; L111-V168 HydrophobicContact CD1-CG2 3.91Å
112	I	78.7	Confident	77	Confident	56 Å²	56	52 Å²	52	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-42.1	175.3	-70.3	165.2	0	0	0	111.5	L106 D108 L114 E115 V116	L106-I112 WeakPolarHBondContact O-CG1 3.46Å; D108-I112 WeakPolarHBondContact O-CB 3.47Å; D108-I112 WeakPolarHBondContact O-CD1 3.13Å; D108-I112 VanDerWaalsContact O-CG1 3.25Å; D108-I112 WeakPolarHBondContact O-CG1 3.4Å; D108-I112 PolarHBondContact O-N 3.47Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.82Å; I112-E115 PolarHBondContact O-N 3.27Å; I112-V116 WeakPolarHBondContact O-CB 3.48Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.21Å; I112-V116 PolarHBondContact O-N 2.86Å
113	I	71.8	Confident	76.3	Confident	60 Å²	60	53 Å²	53	31%	0.308	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-39	177	-71.7	168.8	0	0	0	110.7	V109 T110 L111 A117 F418 V422	V109-I113 HydrophobicContact CG1-CD1 3.9Å; V109-I113 HydrophobicContact CG1-CG1 4.48Å; V109-I113 WeakPolarHBondContact O-CB 3.19Å; V109-I113 WeakPolarHBondContact O-CD1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.12Å; V109-I113 PolarHBondContact O-N 2.74Å; V109-I113 VanDerWaalsContact O-N 3.11Å; T110-I113 PolarHBondContact O-N 3.39Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 2.9Å; I113-A117 WeakPolarHBondContact O-CB 3.3Å; I113-A117 PolarHBondContact O-N 3Å; I113-F418 HydrophobicContact CG2-CE1 4.35Å; I113-F418 HydrophobicContact CG2-CZ 4.29Å; I113-V422 HydrophobicContact CG2-CG1 4.06Å; I113-V422 HydrophobicContact CG2-CG2 3.68Å
114	L	71.3	Confident	75.3	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-69.5	-40.7	178	-174.9	60	0	0	0	112.6	T110 L111 I112 A117 A118 I160 V164 V422 L885	T110-L114 PolarHBondContact O-N 3.13Å; L111-L114 PolarHBondContact O-N 3.02Å; L111-L114 VanDerWaalsContact O-N 3.12Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.82Å; L114-A117 PolarHBondContact O-N 3.14Å; L114-A118 WeakPolarHBondContact O-CB 3.3Å; L114-A118 PolarHBondContact O-N 3.37Å; L114-I160 HydrophobicContact CD1-CG2 3.78Å; L114-I160 HydrophobicContact CD2-CG2 4.23Å; L114-I160 HydrophobicContact CG-CG2 3.75Å; L114-V164 HydrophobicContact CD2-CG2 3.78Å; L114-V164 HydrophobicContact CG-CG2 4.19Å; L114-V422 HydrophobicContact CB-CG1 4.17Å; L114-V422 HydrophobicContact CD1-CG1 4.06Å; L114-L885 HydrophobicContact CD2-CD1 4.16Å; L114-L885 HydrophobicContact CD2-CD2 3.91Å
115	E	80.7	Confident	74.6	Confident	50 Å²	50	44.1 Å²	44.1	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-46.5	172.4	-73.4	-171.5	169	0	0	111.5	L106 L111 I112 A117 A118 I119 L161 V164	L106-E115 WeakPolarHBondContact CD2-OE1 3.14Å; L111-E115 WeakPolarHBondContact O-CG 3.42Å; L111-E115 PolarHBondContact O-N 2.98Å; I112-E115 PolarHBondContact O-N 3.27Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.25Å; E115-A118 PolarHBondContact O-N 2.99Å; E115-I119 WeakPolarHBondContact O-CB 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.25Å; E115-I119 WeakPolarHBondContact O-CG1 3.29Å; E115-I119 PolarHBondContact O-N 3.33Å; E115-L161 HydrophobicContact CB-CD2 4.25Å; E115-L161 HydrophobicContact CG-CD2 4.19Å; E115-V164 HydrophobicContact CG-CG1 4.01Å
116	V	80.1	Confident	74.2	Confident	77 Å²	77	49.9 Å²	49.9	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.8	169.9	0	0	0	0	111	I112 I119 V120	I112-V116 WeakPolarHBondContact O-CB 3.48Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.21Å; I112-V116 PolarHBondContact O-N 2.86Å; V116-I119 PolarHBondContact O-N 2.84Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.32Å; V116-V120 PolarHBondContact O-N 3.44Å
117	A	69.3	Low	73.4	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-40.5	176.5	0	0	0	0	0	112.2	I113 L114 E115 V120 S121 F418 I419	I113-A117 WeakPolarHBondContact O-CB 3.3Å; I113-A117 PolarHBondContact O-N 3Å; L114-A117 PolarHBondContact O-N 3.14Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.25Å; A117-V120 PolarHBondContact O-N 3.37Å; A117-S121 WeakPolarHBondContact O-CB 3.33Å; A117-S121 PolarHBondContact O-N 3.36Å; A117-F418 HydrophobicContact CB-CD1 4.39Å; A117-F418 HydrophobicContact CB-CE1 4.36Å; A117-I419 HydrophobicContact CB-CG1 3.95Å
118	A	76.1	Confident	72.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-40.9	176.3	0	0	0	0	0	112.5	L114 E115 S121 L122 I160 L161	L114-A118 WeakPolarHBondContact O-CB 3.3Å; L114-A118 PolarHBondContact O-N 3.37Å; E115-A118 PolarHBondContact O-N 2.99Å; A118-S121 PolarHBondContact O-N 2.99Å; A118-L122 VanDerWaalsContact O-CB 3.25Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.86Å; A118-I160 HydrophobicContact CB-CB 3.96Å; A118-I160 HydrophobicContact CB-CG2 3.71Å; A118-L161 HydrophobicContact CB-CD2 4.04Å; A118-L161 HydrophobicContact CB-CG 3.85Å
119	I	82.4	Confident	71.1	Confident	96 Å²	96	52.4 Å²	52.4	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-39.8	174	-69.9	163.9	0	0	0	111	E115 V116 G123 L161	E115-I119 WeakPolarHBondContact O-CB 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.25Å; E115-I119 WeakPolarHBondContact O-CG1 3.29Å; E115-I119 PolarHBondContact O-N 3.33Å; V116-I119 PolarHBondContact O-N 2.84Å; I119-G123 PolarHBondContact O-N 3.06Å; I119-L161 HydrophobicContact CG1-CD1 4.26Å; I119-L161 HydrophobicContact CG1-CD2 4.27Å
120	V	75.6	Confident	69.7	Low	66 Å²	66	55.8 Å²	55.8	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-43.3	174.7	170.1	0	0	0	0	111.2	V116 A117 G123 L124 V415	V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.32Å; V116-V120 PolarHBondContact O-N 3.44Å; A117-V120 PolarHBondContact O-N 3.37Å; V120-G123 PolarHBondContact O-N 3.38Å; V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 WeakPolarHBondContact O-CG 3.36Å; V120-L124 PolarHBondContact O-N 3.1Å; V120-V415 HydrophobicContact CG1-CG1 4.18Å; V120-V415 HydrophobicContact CG1-CG2 3.88Å
121	S	70.4	Confident	68.7	Low	15 Å²	15	57.4 Å²	57.4	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-45.6	176.1	-156.8	0	0	0	0	111.7	A117 A118 L124 S125	A117-S121 WeakPolarHBondContact O-CB 3.33Å; A117-S121 PolarHBondContact O-N 3.36Å; A118-S121 PolarHBondContact O-N 2.99Å; S121-L124 PolarHBondContact O-N 2.83Å; S121-S125 PolarHBondContact O-N 2.91Å
122	L	77.6	Confident	67.3	Low	39 Å²	39	66 Å²	66	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-45.1	176	-175	64.5	0	0	0	111.4	A118 L124 S125 F126 W154 L161	A118-L122 VanDerWaalsContact O-CB 3.25Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 2.86Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.43Å; L122-S125 PolarHBondContact O-N 3.16Å; L122-S125 PolarHBondContact O-OG 2.95Å; L122-F126 HydrophobicContact CD1-CD2 4.33Å; L122-F126 HydrophobicContact CD1-CE2 3.52Å; L122-F126 HydrophobicContact CD1-CZ 3.94Å; L122-F126 HydrophobicContact CD2-CE2 4.49Å; L122-F126 HydrophobicContact CG-CD2 4.28Å; L122-F126 HydrophobicContact CG-CE2 3.73Å; L122-F126 VanDerWaalsContact O-CD2 3.24Å; L122-F126 WeakPolarHBondContact O-CD2 3.28Å; L122-F126 PolarHBondContact O-N 3.08Å; L122-W154 HydrophobicContact CD1-CB 3.75Å; L122-L161 HydrophobicContact CD2-CD1 4.32Å
123	G	72.8	Confident	65.7	Low	46 Å²	46	72.3 Å²	72.3	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-34.5	176.9	0	0	0	0	0	113.8	I119 V120	I119-G123 PolarHBondContact O-N 3.06Å; V120-G123 PolarHBondContact O-N 3.38Å
124	L	66.8	Low	64.4	Low	40 Å²	40	73.5 Å²	73.5	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-73.9	-35.4	172.4	-71.2	172.6	0	0	0	112.1	V120 S121 L122 F126 Y127 V411 V415	V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 WeakPolarHBondContact O-CG 3.36Å; V120-L124 PolarHBondContact O-N 3.1Å; S121-L124 PolarHBondContact O-N 2.83Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.43Å; L124-F126 PolarHBondContact O-N 3.03Å; L124-Y127 PolarHBondContact O-N 3.17Å; L124-V411 HydrophobicContact CD1-CG1 4.23Å; L124-V415 HydrophobicContact CD1-CB 4.18Å; L124-V415 HydrophobicContact CD1-CG1 4.42Å; L124-V415 HydrophobicContact CD1-CG2 3.76Å
125	S	66.6	Low	63.3	Low	32 Å²	32	82.4 Å²	82.4	22%	0.224	46%	0.464	C	S	.	.	H	α-helix	trans	-63.2	-24.2	177.1	75.2	0	0	0	0	113.8	S121 L122 G153 W154	S121-S125 PolarHBondContact O-N 2.91Å; L122-S125 PolarHBondContact O-N 3.16Å; L122-S125 PolarHBondContact O-OG 2.95Å; S125-G153 WeakPolarHBondContact CB-O 3.2Å; S125-W154 WeakPolarHBondContact OG-CA 3.37Å
126	F	70.1	Confident	61.8	Low	143 Å²	143	83.3 Å²	83.3	63%	0.627	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.8	173.7	-63.4	-53.8	0	0	0	114.1	L122 L124 W154	L122-F126 HydrophobicContact CD1-CD2 4.33Å; L122-F126 HydrophobicContact CD1-CE2 3.52Å; L122-F126 HydrophobicContact CD1-CZ 3.94Å; L122-F126 HydrophobicContact CD2-CE2 4.49Å; L122-F126 HydrophobicContact CG-CD2 4.28Å; L122-F126 HydrophobicContact CG-CE2 3.73Å; L122-F126 VanDerWaalsContact O-CD2 3.24Å; L122-F126 WeakPolarHBondContact O-CD2 3.28Å; L122-F126 PolarHBondContact O-N 3.08Å; L124-F126 PolarHBondContact O-N 3.03Å; F126-W154 HydrophobicContact CE1-CB 3.9Å; F126-W154 HydrophobicContact CE1-CG 4.34Å; F126-W154 HydrophobicContact CZ-CB 3.75Å; F126-W154 HydrophobicContact CZ-CG 4.32Å
127	Y	65.3	Low	60.5	Low	138 Å²	138	81.7 Å²	81.7	54%	0.541	47%	0.472	S	S	.	.			trans	-103.9	80.5	-179.2	-172.6	-101.6	0	0	0	112	L124 P408	L124-Y127 PolarHBondContact O-N 3.17Å; Y127-P408 HydrophobicContact CD1-CB 4.17Å; Y127-P408 HydrophobicContact CD1-CG 4.37Å; Y127-P408 HydrophobicContact CE1-CB 4.16Å; Y127-P408 HydrophobicContact CE1-CG 3.86Å
128	A	54.8	Low	59.3	Low	75 Å²	75	82.5 Å²	82.5	62%	0.62	48%	0.481	S	S	*	.			trans	-75	124.5	167	0	0	0	0	0	110.4
129	P	51	Low	57.7	Low	61 Å²	61	89.6 Å²	89.6	40%	0.396	52%	0.519	S	S	.	.			trans	-71.1	141.4	170.8	30.3	-33.2	0	0	0	110.3	G131	P129-G131 PolarHBondContact O-N 2.71Å
130	P	40.5	Very low	55.9	Low	137 Å²	137	88 Å²	88	89%	0.89	51%	0.513	S	S	*	.	S	Bend	trans	-76.7	84.9	-177.2	31.1	-35.3	0	0	0	111.7
131	G	47.5	Very low	54.5	Low	54 Å²	54	89.5 Å²	89.5	56%	0.557	53%	0.527	S	S	*	.			trans	165.9	70.4	177.5	0	0	0	0	0	113.7	P129 E133	P129-G131 PolarHBondContact O-N 2.71Å; G131-E133 VanDerWaalsContact C-N 3.27Å; G131-E133 PolarHBondContact O-N 2.84Å
132	E	45.1	Very low	52.6	Low	191 Å²	191	91.8 Å²	91.8	89%	0.893	55%	0.553	S	S	*	*	S	Bend	trans	-74.8	-12.5	-178.3	-67.3	173.5	127.8	0	0	113.8
133	E	44.2	Very low	50.1	Low	189 Å²	189	93 Å²	93	88%	0.883	57%	0.574	S	S	*	*			trans	-105.1	72.9	178.3	-65.2	-174.7	164.2	0	0	111.9	G131	G131-E133 VanDerWaalsContact C-N 3.27Å; G131-E133 PolarHBondContact O-N 2.84Å
134	S	43.5	Very low	48	Very low	84 Å²	84	95.5 Å²	95.5	59%	0.587	59%	0.591	S	S	*	*			trans	-152.6	103.7	170	-82.6	0	0	0	0	113.8	A136 C137	S134-A136 PolarHBondContact O-N 3.42Å; S134-C137 PolarHBondContact O-N 3.27Å
135	E	48.9	Very low	46.5	Very low	191 Å²	191	102.7 Å²	102.7	89%	0.893	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-57.4	-8.5	174.9	-57.4	177.5	130.4	0	0	114.1	G138	E135-G138 WeakPolarHBondContact O-CA 3.12Å; E135-G138 PolarHBondContact O-N 3.09Å; E135-G138 VanDerWaalsContact O-N 3.11Å
136	A	50.2	Low	44.8	Very low	69 Å²	69	107.9 Å²	107.9	57%	0.57	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-67.4	-30.2	179.3	0	0	0	0	0	114.2	S134 G138 L403	S134-A136 PolarHBondContact O-N 3.42Å; A136-G138 PolarHBondContact O-N 3.44Å; A136-L403 HydrophobicContact CB-CD1 4.44Å
137	C	52.7	Low	43.2	Very low	43 Å²	43	110 Å²	110	29%	0.291	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-91.4	39.3	168	-58.6	0	0	0	0	110.8	S134 C406	S134-C137 PolarHBondContact O-N 3.27Å; C137-C406 HydrophobicContact CB-CB 4.1Å; C137-C406 WeakPolarHBondContact CB-SG 3.48Å; C137-C406 WeakPolarHBondContact SG-CB 3.43Å; C137-C406 CovalentContact SG-SG 2.05Å; C137-C406 PolarHBondContact SG-SG 2.96Å
138	G	43.1	Very low	42	Very low	23 Å²	23	104.9 Å²	104.9	24%	0.237	65%	0.649	C	S	.	*	T	Hydrogen-bonded Turn	trans	-59.6	140.5	-156.6	0	0	0	0	0	117.8	E135 A136 V140	E135-G138 WeakPolarHBondContact O-CA 3.12Å; E135-G138 PolarHBondContact O-N 3.09Å; E135-G138 VanDerWaalsContact O-N 3.11Å; A136-G138 PolarHBondContact O-N 3.44Å; G138-V140 VanDerWaalsContact C-N 3.3Å; G138-V140 PolarHBondContact O-N 3.48Å; G138-V140 VanDerWaalsContact O-N 3.14Å
139	N	43	Very low	41.5	Very low	150 Å²	150	106.1 Å²	106.1	80%	0.802	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.7	39.2	168.4	-69.9	39.6	0	0	0	116.9	S141	N139-S141 VanDerWaalsContact C-N 3.35Å; N139-S141 WeakPolarHBondContact CA-O 3.49Å
140	V	44.5	Very low	41.2	Very low	62 Å²	62	107.7 Å²	107.7	38%	0.376	66%	0.661	S	S	.	*	S	Bend	trans	-86.9	-15	156.7	-171.7	0	0	0	0	110.9	G138 Y413	G138-V140 VanDerWaalsContact C-N 3.3Å; G138-V140 PolarHBondContact O-N 3.48Å; G138-V140 VanDerWaalsContact O-N 3.14Å; V140-Y413 HydrophobicContact CG1-CE2 4.27Å
141	S	46.1	Very low	41.6	Very low	98 Å²	98	108.3 Å²	108.3	69%	0.685	65%	0.652	S	S	*	*	S	Bend	trans	-124.1	152.1	165.9	48.5	0	0	0	0	109	N139	N139-S141 VanDerWaalsContact C-N 3.35Å; N139-S141 WeakPolarHBondContact CA-O 3.49Å
142	G	30.1	Very low	41.9	Very low	63 Å²	63	106.5 Å²	106.5	65%	0.649	63%	0.631	S	S	*	*			trans	122.4	51.8	177.8	0	0	0	0	0	116.1
143	G	25.9	Very low	42.6	Very low	64 Å²	64	98 Å²	98	66%	0.66	59%	0.594	S	S	*	*	S	Bend	trans	-68.5	158.6	135.6	0	0	0	0	0	108.9
144	A	28.8	Very low	44	Very low	99 Å²	99	94.5 Å²	94.5	82%	0.818	57%	0.573	S	S	*	*	S	Bend	trans	-77.6	131.8	-175.2	0	0	0	0	0	112.7
145	E	33.9	Very low	45.4	Very low	190 Å²	190	92 Å²	92	89%	0.888	55%	0.553	S	S	*	*			trans	51.2	89.2	154.5	-61.3	179.8	-179.2	0	0	118.2
146	D	31.7	Very low	46.4	Very low	141 Å²	141	86 Å²	86	75%	0.754	53%	0.525	S	S	*	.			trans	-158.8	142.2	132.7	-133.7	-21.8	0	0	0	112.9	G148	D146-G148 PolarHBondContact O-N 3.06Å
147	E	36.3	Very low	47.6	Very low	189 Å²	189	82.7 Å²	82.7	88%	0.883	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.5	-176.6	-64.5	-176.7	136.9	0	0	113.2	E149	E147-E149 PolarHBondContact O-N 3.36Å
148	G	40.8	Very low	49	Very low	29 Å²	29	82 Å²	82	30%	0.299	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.6	-174.6	0	0	0	0	0	117	D146	D146-G148 PolarHBondContact O-N 3.06Å
149	E	43	Very low	50.6	Low	101 Å²	101	81.5 Å²	81.5	47%	0.472	49%	0.489	S	S	.	.	S	Bend	trans	-78	-43	178.3	-64.4	-156.6	137.4	0	0	112.5	E147 E151 A152	E147-E149 PolarHBondContact O-N 3.36Å; E149-E151 PolarHBondContact O-N 2.92Å; E149-A152 WeakPolarHBondContact O-CB 3.24Å; E149-A152 PolarHBondContact O-N 2.74Å; E149-A152 VanDerWaalsContact O-N 3.1Å
150	A	45.3	Very low	52.2	Low	95 Å²	95	74.4 Å²	74.4	79%	0.785	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-62.3	-31.4	178.5	0	0	0	0	0	112.8	A152	A150-A152 PolarHBondContact O-N 2.95Å
151	E	48.7	Very low	54.1	Low	150 Å²	150	73.3 Å²	73.3	70%	0.701	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-71.5	-7.6	177.4	-64	-157.9	138.7	0	0	114.2	E149 W154	E149-E151 PolarHBondContact O-N 2.92Å; E151-W154 PolarHBondContact O-NE1 3.12Å
152	A	54.3	Low	55.9	Low	16 Å²	16	73.9 Å²	73.9	13%	0.132	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-93.4	-27.2	-176.2	0	0	0	0	0	114.5	E149 A150 W154 I155 K1026	E149-A152 WeakPolarHBondContact O-CB 3.24Å; E149-A152 PolarHBondContact O-N 2.74Å; E149-A152 VanDerWaalsContact O-N 3.1Å; A150-A152 PolarHBondContact O-N 2.95Å; A152-W154 VanDerWaalsContact C-N 3.3Å; A152-W154 PolarHBondContact O-N 3.01Å; A152-I155 VanDerWaalsContact O-CB 3.27Å; A152-I155 WeakPolarHBondContact O-CB 3.5Å; A152-I155 WeakPolarHBondContact O-CG1 3.36Å; A152-I155 PolarHBondContact O-N 3.44Å; A152-K1026 HydrophobicContact CB-CD 4.29Å
153	G	60.4	Low	58.1	Low	11 Å²	11	71.9 Å²	71.9	11%	0.113	41%	0.414	C	S	.	.	H	α-helix	trans	-64.9	-24.9	-166.3	0	0	0	0	0	116	S125 I155	S125-G153 WeakPolarHBondContact CB-O 3.2Å; G153-I155 VanDerWaalsContact C-N 3.33Å
154	W	72.3	Confident	60.7	Low	116 Å²	116	68.9 Å²	68.9	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-77.2	-19.9	176.3	68.3	-88.8	0	0	0	113	L122 S125 F126 E151 A152 E156 G157 A158	L122-W154 HydrophobicContact CD1-CB 3.75Å; S125-W154 WeakPolarHBondContact OG-CA 3.37Å; F126-W154 HydrophobicContact CE1-CB 3.9Å; F126-W154 HydrophobicContact CE1-CG 4.34Å; F126-W154 HydrophobicContact CZ-CB 3.75Å; F126-W154 HydrophobicContact CZ-CG 4.32Å; E151-W154 PolarHBondContact O-NE1 3.12Å; A152-W154 VanDerWaalsContact C-N 3.3Å; A152-W154 PolarHBondContact O-N 3.01Å; W154-E156 PolarHBondContact O-N 2.74Å; W154-G157 PolarHBondContact O-N 3.06Å; W154-A158 HydrophobicContact CE3-CB 3.71Å; W154-A158 HydrophobicContact CZ3-CB 3.81Å; W154-A158 WeakPolarHBondContact O-CB 3.39Å; W154-A158 PolarHBondContact O-N 2.96Å
155	I	74	Confident	63.4	Low	32 Å²	32	68.3 Å²	68.3	16%	0.164	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-38.5	-172.1	-59.1	176.4	0	0	0	110.9	A152 G153 A158 A159 K1026 P1027	A152-I155 VanDerWaalsContact O-CB 3.27Å; A152-I155 WeakPolarHBondContact O-CB 3.5Å; A152-I155 WeakPolarHBondContact O-CG1 3.36Å; A152-I155 PolarHBondContact O-N 3.44Å; G153-I155 VanDerWaalsContact C-N 3.33Å; I155-A158 PolarHBondContact O-N 3.24Å; I155-A159 WeakPolarHBondContact O-CB 3.41Å; I155-A159 PolarHBondContact O-N 3.1Å; I155-K1026 HydrophobicContact CD1-CB 4.44Å; I155-K1026 HydrophobicContact CD1-CD 4.48Å; I155-P1027 HydrophobicContact CG2-CB 4.25Å; I155-P1027 HydrophobicContact CG2-CG 3.99Å
156	E	70.1	Confident	65.7	Low	64 Å²	64	62.3 Å²	62.3	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-48.6	179.6	-174.3	171.1	-151.1	0	0	111.6	W154 A159 I160	W154-E156 PolarHBondContact O-N 2.74Å; E156-A159 PolarHBondContact O-N 3.15Å; E156-I160 HydrophobicContact CG-CD1 4.3Å; E156-I160 WeakPolarHBondContact O-CG1 3.36Å; E156-I160 PolarHBondContact O-N 2.88Å
157	G	74.2	Confident	67.8	Low	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-41.4	177	0	0	0	0	0	113	W154 L161	W154-G157 PolarHBondContact O-N 3.06Å; G157-L161 PolarHBondContact O-N 3.12Å
158	A	81.6	Confident	70.1	Confident	30 Å²	30	47.6 Å²	47.6	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-37.8	177	0	0	0	0	0	112.8	W154 I155 L161 L162	W154-A158 HydrophobicContact CE3-CB 3.71Å; W154-A158 HydrophobicContact CZ3-CB 3.81Å; W154-A158 WeakPolarHBondContact O-CB 3.39Å; W154-A158 PolarHBondContact O-N 2.96Å; I155-A158 PolarHBondContact O-N 3.24Å; A158-L161 PolarHBondContact O-N 3.3Å; A158-L162 WeakPolarHBondContact O-CB 3.44Å; A158-L162 PolarHBondContact O-N 3.26Å
159	A	76.8	Confident	72.2	Confident	11 Å²	11	49.8 Å²	49.8	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-35.5	178	0	0	0	0	0	112	I155 E156 S163 V882	I155-A159 WeakPolarHBondContact O-CB 3.41Å; I155-A159 PolarHBondContact O-N 3.1Å; E156-A159 PolarHBondContact O-N 3.15Å; A159-S163 VanDerWaalsContact O-CB 3.24Å; A159-S163 WeakPolarHBondContact O-CB 3.32Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 2.83Å; A159-V882 HydrophobicContact CB-CG2 3.67Å
160	I	77.9	Confident	73.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-49.4	171.5	-66.1	164.4	0	0	0	110.4	L114 A118 E156 L162 S163 V164 I419 A881 V882	L114-I160 HydrophobicContact CD1-CG2 3.78Å; L114-I160 HydrophobicContact CD2-CG2 4.23Å; L114-I160 HydrophobicContact CG-CG2 3.75Å; A118-I160 HydrophobicContact CB-CB 3.96Å; A118-I160 HydrophobicContact CB-CG2 3.71Å; E156-I160 HydrophobicContact CG-CD1 4.3Å; E156-I160 WeakPolarHBondContact O-CG1 3.36Å; E156-I160 PolarHBondContact O-N 2.88Å; I160-L162 PolarHBondContact O-N 3.06Å; I160-S163 WeakPolarHBondContact O-CB 3.33Å; I160-S163 PolarHBondContact O-N 2.66Å; I160-S163 VanDerWaalsContact O-N 3.16Å; I160-V164 WeakPolarHBondContact O-CG2 3.27Å; I160-V164 PolarHBondContact O-N 2.68Å; I160-I419 HydrophobicContact CD1-CG2 4.39Å; I160-A881 HydrophobicContact CD1-CB 3.94Å; I160-A881 HydrophobicContact CG1-CB 4.07Å; I160-V882 HydrophobicContact CG1-CG2 4.23Å
161	L	84.2	Confident	75.1	Confident	40 Å²	40	44.4 Å²	44.4	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-45.1	178	-72.2	170.5	0	0	0	112.4	E115 A118 I119 L122 G157 A158 S163 V164 I165	E115-L161 HydrophobicContact CB-CD2 4.25Å; E115-L161 HydrophobicContact CG-CD2 4.19Å; A118-L161 HydrophobicContact CB-CD2 4.04Å; A118-L161 HydrophobicContact CB-CG 3.85Å; I119-L161 HydrophobicContact CG1-CD1 4.26Å; I119-L161 HydrophobicContact CG1-CD2 4.27Å; L122-L161 HydrophobicContact CD2-CD1 4.32Å; G157-L161 PolarHBondContact O-N 3.12Å; A158-L161 PolarHBondContact O-N 3.3Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.82Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 2.94Å
162	L	83.8	Confident	76.7	Confident	110 Å²	110	37.4 Å²	37.4	58%	0.576	21%	0.207	S	C	*	.	H	α-helix	trans	-63.1	-37.6	176.4	-175.3	63.2	0	0	0	111.9	A158 I160 I165 C166	A158-L162 WeakPolarHBondContact O-CB 3.44Å; A158-L162 PolarHBondContact O-N 3.26Å; I160-L162 PolarHBondContact O-N 3.06Å; L162-I165 PolarHBondContact O-N 2.78Å; L162-C166 PolarHBondContact O-N 2.62Å; L162-C166 PolarHBondContact O-SG 2.86Å
163	S	75.9	Confident	78	Confident	21 Å²	21	42.2 Å²	42.2	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-43.2	177.4	-60.6	0	0	0	0	112	A159 I160 L161 I165 C166 V167	A159-S163 VanDerWaalsContact O-CB 3.24Å; A159-S163 WeakPolarHBondContact O-CB 3.32Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 2.83Å; I160-S163 WeakPolarHBondContact O-CB 3.33Å; I160-S163 PolarHBondContact O-N 2.66Å; I160-S163 VanDerWaalsContact O-N 3.16Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.09Å; S163-I165 PolarHBondContact O-N 2.9Å; S163-C166 PolarHBondContact O-N 2.8Å; S163-V167 WeakPolarHBondContact O-CG2 3.2Å; S163-V167 PolarHBondContact O-N 3.49Å
164	V	81.3	Confident	78.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-46.1	174.3	171.9	0	0	0	0	110.6	L111 L114 E115 I160 L161 C166 V167 V168	L111-V164 HydrophobicContact CB-CG1 4.48Å; L111-V164 HydrophobicContact CD2-CG1 4.44Å; L114-V164 HydrophobicContact CD2-CG2 3.78Å; L114-V164 HydrophobicContact CG-CG2 4.19Å; E115-V164 HydrophobicContact CG-CG1 4.01Å; I160-V164 WeakPolarHBondContact O-CG2 3.27Å; I160-V164 PolarHBondContact O-N 2.68Å; L161-V164 PolarHBondContact O-N 2.82Å; V164-C166 VanDerWaalsContact C-N 3.3Å; V164-C166 PolarHBondContact O-N 3.26Å; V164-V167 PolarHBondContact O-N 3.42Å; V164-V168 HydrophobicContact CG1-CG2 4.21Å; V164-V168 WeakPolarHBondContact O-CB 3.46Å; V164-V168 VanDerWaalsContact O-CG2 3.28Å; V164-V168 WeakPolarHBondContact O-CG2 3.4Å; V164-V168 PolarHBondContact O-N 3.35Å
165	I	85.6	Confident	78.4	Confident	88 Å²	88	39.2 Å²	39.2	45%	0.451	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-42.3	175.2	-68.8	165.5	0	0	0	111.2	L161 L162 S163 L169	L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 2.94Å; L162-I165 PolarHBondContact O-N 2.78Å; S163-I165 PolarHBondContact O-N 2.9Å; I165-L169 HydrophobicContact CG2-CD1 3.89Å; I165-L169 HydrophobicContact CG2-CG 4.47Å; I165-L169 WeakPolarHBondContact O-CB 3.33Å; I165-L169 VanDerWaalsContact O-CG 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.38Å; I165-L169 PolarHBondContact O-N 3.19Å
166	C	81.8	Confident	78.8	Confident	64 Å²	64	42.1 Å²	42.1	43%	0.432	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-45.8	177.4	-67.7	0	0	0	0	112.4	L162 S163 V164 L169 V170	L162-C166 PolarHBondContact O-N 2.62Å; L162-C166 PolarHBondContact O-SG 2.86Å; S163-C166 PolarHBondContact O-N 2.8Å; V164-C166 VanDerWaalsContact C-N 3.3Å; V164-C166 PolarHBondContact O-N 3.26Å; C166-L169 PolarHBondContact O-N 3.37Å; C166-V170 WeakPolarHBondContact O-CG2 3.48Å; C166-V170 PolarHBondContact O-N 2.9Å
167	V	76.2	Confident	79	Confident	16 Å²	16	40.3 Å²	40.3	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-51.5	176.2	170.7	0	0	0	0	110.3	S163 V164 L169 V170 T171	S163-V167 WeakPolarHBondContact O-CG2 3.2Å; S163-V167 PolarHBondContact O-N 3.49Å; V164-V167 PolarHBondContact O-N 3.42Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 2.88Å; V167-V170 PolarHBondContact O-N 3.37Å; V167-V170 VanDerWaalsContact O-N 3.13Å; V167-T171 PolarHBondContact O-N 2.88Å; V167-T171 PolarHBondContact O-OG1 2.74Å; V167-T171 VanDerWaalsContact O-OG1 3.13Å
168	V	83.7	Confident	78.8	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-54.9	-44.7	177.5	163.8	0	0	0	0	112	V102 A105 L106 L111 V164 T171 A172	V102-V168 HydrophobicContact CG1-CG1 3.93Å; A105-V168 HydrophobicContact CB-CG1 4.2Å; L106-V168 HydrophobicContact CD1-CG1 4.47Å; L106-V168 HydrophobicContact CD2-CG1 4.16Å; L106-V168 HydrophobicContact CD2-CG2 3.87Å; L106-V168 HydrophobicContact CG-CG1 3.88Å; L106-V168 HydrophobicContact CG-CG2 4.3Å; L111-V168 HydrophobicContact CD1-CG2 3.91Å; V164-V168 HydrophobicContact CG1-CG2 4.21Å; V164-V168 WeakPolarHBondContact O-CB 3.46Å; V164-V168 VanDerWaalsContact O-CG2 3.28Å; V164-V168 WeakPolarHBondContact O-CG2 3.4Å; V164-V168 PolarHBondContact O-N 3.35Å; V168-T171 PolarHBondContact O-N 2.64Å; V168-A172 VanDerWaalsContact O-CB 3.26Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 2.96Å
169	L	85.5	Confident	78.4	Confident	75 Å²	75	42.9 Å²	42.9	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-38.9	178.7	-75.6	170.7	0	0	0	112.6	F98 V102 I165 C166 V167 F173	F98-L169 HydrophobicContact CE1-CD2 4.1Å; F98-L169 HydrophobicContact CZ-CD2 4.02Å; V102-L169 HydrophobicContact CG2-CD2 4.06Å; I165-L169 HydrophobicContact CG2-CD1 3.89Å; I165-L169 HydrophobicContact CG2-CG 4.47Å; I165-L169 WeakPolarHBondContact O-CB 3.33Å; I165-L169 VanDerWaalsContact O-CG 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.38Å; I165-L169 PolarHBondContact O-N 3.19Å; C166-L169 PolarHBondContact O-N 3.37Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 2.88Å; L169-F173 VanDerWaalsContact O-CB 3.27Å; L169-F173 WeakPolarHBondContact O-CB 3.4Å; L169-F173 PolarHBondContact O-N 3.39Å
170	V	77.4	Confident	78.4	Confident	46 Å²	46	48.2 Å²	48.2	28%	0.279	25%	0.246	S	C	.	.	H	α-helix	trans	-69.7	-43.9	176.6	178.4	0	0	0	0	110.8	C166 V167 F173 N174 L889 T893 F894	C166-V170 WeakPolarHBondContact O-CG2 3.48Å; C166-V170 PolarHBondContact O-N 2.9Å; V167-V170 PolarHBondContact O-N 3.37Å; V167-V170 VanDerWaalsContact O-N 3.13Å; V170-F173 PolarHBondContact O-N 3.15Å; V170-N174 WeakPolarHBondContact O-CB 3.26Å; V170-N174 PolarHBondContact O-N 3.35Å; V170-L889 HydrophobicContact CB-CD1 4.23Å; V170-L889 HydrophobicContact CG1-CD1 4.11Å; V170-T893 HydrophobicContact CG1-CG2 3.85Å; V170-F894 HydrophobicContact CG1-CE1 4.43Å
171	T	71.1	Confident	77.9	Confident	38 Å²	38	51 Å²	51	23%	0.233	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-48	175.7	-61.1	0	0	0	0	111.3	V167 V168 F173 N174 D175	V167-T171 PolarHBondContact O-N 2.88Å; V167-T171 PolarHBondContact O-OG1 2.74Å; V167-T171 VanDerWaalsContact O-OG1 3.13Å; V168-T171 PolarHBondContact O-N 2.64Å; T171-F173 VanDerWaalsContact C-N 3.32Å; T171-F173 PolarHBondContact O-N 2.93Å; T171-N174 WeakPolarHBondContact O-CB 3.34Å; T171-N174 PolarHBondContact O-N 2.8Å; T171-D175 PolarHBondContact O-N 3.25Å
172	A	83	Confident	77.2	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-32.7	176.6	0	0	0	0	0	113	F98 L101 V102 V168 W176	F98-A172 HydrophobicContact CE2-CB 4.05Å; F98-A172 HydrophobicContact CZ-CB 4.42Å; L101-A172 HydrophobicContact CB-CB 4.18Å; V102-A172 HydrophobicContact CB-CB 4.33Å; V102-A172 HydrophobicContact CG2-CB 3.51Å; V168-A172 VanDerWaalsContact O-CB 3.26Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 2.96Å; A172-W176 VanDerWaalsContact O-CB 3.24Å; A172-W176 WeakPolarHBondContact O-CB 3.39Å; A172-W176 PolarHBondContact O-N 3.28Å
173	F	81.8	Confident	76.6	Confident	118 Å²	118	50.8 Å²	50.8	52%	0.518	25%	0.249	S	C	.	.	H	α-helix	trans	-69.7	-36.9	173.8	178.8	-96.3	0	0	0	112.3	F98 L169 V170 T171 W176 S177	F98-F173 HydrophobicContact CE2-CB 4.18Å; L169-F173 VanDerWaalsContact O-CB 3.27Å; L169-F173 WeakPolarHBondContact O-CB 3.4Å; L169-F173 PolarHBondContact O-N 3.39Å; V170-F173 PolarHBondContact O-N 3.15Å; T171-F173 VanDerWaalsContact C-N 3.32Å; T171-F173 PolarHBondContact O-N 2.93Å; F173-W176 HydrophobicContact CD2-CE3 4.44Å; F173-W176 HydrophobicContact CE2-CE3 4.34Å; F173-W176 HydrophobicContact CE2-CZ3 4.27Å; F173-S177 VanDerWaalsContact O-CB 3.26Å; F173-S177 WeakPolarHBondContact O-CB 3.08Å; F173-S177 PolarHBondContact O-N 3.27Å; F173-S177 PolarHBondContact O-OG 2.97Å
174	N	69.1	Low	76.4	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-49.1	174.2	-160	-6.5	0	0	0	110.4	V170 T171 W176 S177 K178 I439	V170-N174 WeakPolarHBondContact O-CB 3.26Å; V170-N174 PolarHBondContact O-N 3.35Å; T171-N174 WeakPolarHBondContact O-CB 3.34Å; T171-N174 PolarHBondContact O-N 2.8Å; N174-W176 PolarHBondContact O-N 3.45Å; N174-S177 CarbonylContact O-C 3.6Å; N174-S177 WeakPolarHBondContact O-CB 3.29Å; N174-S177 PolarHBondContact O-N 2.82Å; N174-S177 VanDerWaalsContact O-N 3.14Å; N174-K178 WeakPolarHBondContact O-CB 3.5Å; N174-K178 PolarHBondContact O-N 3.18Å; N174-I439 WeakPolarHBondContact ND2-CD1 3.49Å; N174-I439 WeakPolarHBondContact OD1-CD1 3.43Å
175	D	72.3	Confident	75.8	Confident	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-33.9	178.7	-101.2	20.8	0	0	0	114	T171 K178 E179 L435	T171-D175 PolarHBondContact O-N 3.25Å; D175-K178 WeakPolarHBondContact O-CB 3.41Å; D175-K178 PolarHBondContact O-N 3.07Å; D175-K178 WeakPolarHBondContact OD1-CD 3.47Å; D175-K178 WeakPolarHBondContact OD1-CE 3.49Å; D175-K178 IonicContact OD1-NZ 3.72Å; D175-K178 PolarHBondContact OD1-NZ 3.07Å; D175-K178 IonicContact OD2-NZ 3.9Å; D175-K178 PolarHBondContact OD2-NZ 3.28Å; D175-E179 PolarHBondContact O-N 3.43Å; D175-L435 VanDerWaalsContact OD1-CD1 3.26Å; D175-L435 WeakPolarHBondContact OD1-CD1 3.44Å
176	W	82.6	Confident	75	Confident	93 Å²	93	52.8 Å²	52.8	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-42.1	169.4	178.4	80.5	0	0	0	111.8	F98 L101 A172 F173 N174 K178 E179 K180	F98-W176 HydrophobicContact CD2-CB 4.16Å; F98-W176 HydrophobicContact CD2-CG 4.37Å; L101-W176 HydrophobicContact CD1-CB 3.81Å; A172-W176 VanDerWaalsContact O-CB 3.24Å; A172-W176 WeakPolarHBondContact O-CB 3.39Å; A172-W176 PolarHBondContact O-N 3.28Å; F173-W176 HydrophobicContact CD2-CE3 4.44Å; F173-W176 HydrophobicContact CE2-CE3 4.34Å; F173-W176 HydrophobicContact CE2-CZ3 4.27Å; N174-W176 PolarHBondContact O-N 3.45Å; W176-K178 VanDerWaalsContact C-N 3.28Å; W176-K178 PolarHBondContact O-N 3.15Å; W176-E179 PolarHBondContact O-N 2.87Å; W176-K180 HydrophobicContact CH2-CD 3.82Å; W176-K180 HydrophobicContact CZ2-CD 4.08Å; W176-K180 HydrophobicContact CZ3-CD 4.02Å; W176-K180 WeakPolarHBondContact O-CB 3.38Å; W176-K180 PolarHBondContact O-N 2.97Å
177	S	73.6	Confident	74.6	Confident	26 Å²	26	52.3 Å²	52.3	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-32.2	176.4	-63.4	0	0	0	0	112.2	F173 N174 Q181	F173-S177 VanDerWaalsContact O-CB 3.26Å; F173-S177 WeakPolarHBondContact O-CB 3.08Å; F173-S177 PolarHBondContact O-N 3.27Å; F173-S177 PolarHBondContact O-OG 2.97Å; N174-S177 CarbonylContact O-C 3.6Å; N174-S177 WeakPolarHBondContact O-CB 3.29Å; N174-S177 PolarHBondContact O-N 2.82Å; N174-S177 VanDerWaalsContact O-N 3.14Å; S177-Q181 VanDerWaalsContact O-CG 3.31Å; S177-Q181 WeakPolarHBondContact O-CG 3.47Å; S177-Q181 PolarHBondContact O-N 3.07Å; S177-Q181 VanDerWaalsContact O-N 3.16Å; S177-Q181 PolarHBondContact O-NE2 2.86Å
178	K	69.5	Low	74.3	Confident	41 Å²	41	58.3 Å²	58.3	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-52.7	172.2	177.8	-178.6	104.8	-171.2	0	111.5	N174 D175 W176 K180 Q181 F182 L435 T438	N174-K178 WeakPolarHBondContact O-CB 3.5Å; N174-K178 PolarHBondContact O-N 3.18Å; D175-K178 WeakPolarHBondContact O-CB 3.41Å; D175-K178 PolarHBondContact O-N 3.07Å; D175-K178 WeakPolarHBondContact OD1-CD 3.47Å; D175-K178 WeakPolarHBondContact OD1-CE 3.49Å; D175-K178 IonicContact OD1-NZ 3.72Å; D175-K178 PolarHBondContact OD1-NZ 3.07Å; D175-K178 IonicContact OD2-NZ 3.9Å; D175-K178 PolarHBondContact OD2-NZ 3.28Å; W176-K178 VanDerWaalsContact C-N 3.28Å; W176-K178 PolarHBondContact O-N 3.15Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.49Å; K178-Q181 PolarHBondContact O-N 2.91Å; K178-Q181 VanDerWaalsContact O-N 3.09Å; K178-F182 HydrophobicContact CD-CE2 4.49Å; K178-F182 HydrophobicContact CG-CD2 4.13Å; K178-F182 HydrophobicContact CG-CE2 3.64Å; K178-F182 VanDerWaalsContact O-CD2 3.3Å; K178-F182 WeakPolarHBondContact O-CD2 3.29Å; K178-F182 PolarHBondContact O-N 3.3Å; K178-L435 HydrophobicContact CD-CD1 4.27Å; K178-T438 HydrophobicContact CD-CG2 3.55Å; K178-T438 HydrophobicContact CG-CG2 4.09Å
179	E	72.8	Confident	73.6	Confident	43 Å²	43	59.6 Å²	59.6	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-39.7	177.6	-159.8	-169.7	146.4	0	0	111.6	P95 D175 W176 Q181 F182 R183	P95-E179 WeakPolarHBondContact CA-OE1 3.39Å; D175-E179 PolarHBondContact O-N 3.43Å; W176-E179 PolarHBondContact O-N 2.87Å; E179-Q181 VanDerWaalsContact C-N 3.29Å; E179-Q181 PolarHBondContact O-N 2.91Å; E179-F182 PolarHBondContact O-N 3.2Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.3Å; E179-R183 IonicContact OE1-CZ 2.67Å; E179-R183 IonicContact OE1-NE 2.72Å; E179-R183 PolarHBondContact OE1-NE 2.66Å; E179-R183 IonicContact OE1-NH2 2.77Å; E179-R183 PolarHBondContact OE1-NH2 2.84Å
180	K	77.5	Confident	72.9	Confident	124 Å²	124	59.1 Å²	59.1	54%	0.539	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-35.9	174.2	-176.8	175.9	179.7	178.1	0	112.9	W176 K178 G184	W176-K180 HydrophobicContact CH2-CD 3.82Å; W176-K180 HydrophobicContact CZ2-CD 4.08Å; W176-K180 HydrophobicContact CZ3-CD 4.02Å; W176-K180 WeakPolarHBondContact O-CB 3.38Å; W176-K180 PolarHBondContact O-N 2.97Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.49Å; K180-G184 PolarHBondContact O-N 2.83Å; K180-G184 VanDerWaalsContact O-N 3.15Å
181	Q	68.5	Low	72.6	Confident	60 Å²	60	61.9 Å²	61.9	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-70.3	-44.7	174.6	-77.6	179.5	81.2	0	0	112	S177 K178 E179 R183 G184 L185	S177-Q181 VanDerWaalsContact O-CG 3.31Å; S177-Q181 WeakPolarHBondContact O-CG 3.47Å; S177-Q181 PolarHBondContact O-N 3.07Å; S177-Q181 VanDerWaalsContact O-N 3.16Å; S177-Q181 PolarHBondContact O-NE2 2.86Å; K178-Q181 PolarHBondContact O-N 2.91Å; K178-Q181 VanDerWaalsContact O-N 3.09Å; E179-Q181 VanDerWaalsContact C-N 3.29Å; E179-Q181 PolarHBondContact O-N 2.91Å; Q181-R183 PolarHBondContact O-N 3.18Å; Q181-G184 PolarHBondContact O-N 3.27Å; Q181-G184 VanDerWaalsContact O-N 3.16Å; Q181-L185 PolarHBondContact O-N 2.99Å; Q181-L185 VanDerWaalsContact O-N 3.12Å
182	F	67.8	Low	72.6	Confident	51 Å²	51	65.1 Å²	65.1	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-41.2	175.3	-70.7	-55.6	0	0	0	112.7	K178 E179 G184 L185 Q186 T438 A442 L458	K178-F182 HydrophobicContact CD-CE2 4.49Å; K178-F182 HydrophobicContact CG-CD2 4.13Å; K178-F182 HydrophobicContact CG-CE2 3.64Å; K178-F182 VanDerWaalsContact O-CD2 3.3Å; K178-F182 WeakPolarHBondContact O-CD2 3.29Å; K178-F182 PolarHBondContact O-N 3.3Å; E179-F182 PolarHBondContact O-N 3.2Å; F182-G184 VanDerWaalsContact C-N 3.31Å; F182-G184 PolarHBondContact O-N 3.4Å; F182-L185 HydrophobicContact CD1-CD1 4.29Å; F182-L185 WeakPolarHBondContact O-CB 3.32Å; F182-L185 PolarHBondContact O-N 3.04Å; F182-L185 VanDerWaalsContact O-N 3.13Å; F182-Q186 PolarHBondContact O-N 2.74Å; F182-T438 HydrophobicContact CE2-CG2 3.89Å; F182-T438 HydrophobicContact CZ-CG2 3.92Å; F182-A442 HydrophobicContact CE1-CB 3.92Å; F182-A442 HydrophobicContact CE2-CB 4.31Å; F182-A442 HydrophobicContact CZ-CB 3.72Å; F182-L458 HydrophobicContact CD1-CD1 4.1Å; F182-L458 HydrophobicContact CD1-CD2 4.33Å; F182-L458 HydrophobicContact CE1-CD1 3.38Å; F182-L458 HydrophobicContact CE1-CD2 3.8Å; F182-L458 HydrophobicContact CE1-CG 4.25Å; F182-L458 HydrophobicContact CZ-CD1 3.8Å
183	R	72.9	Confident	72.3	Confident	93 Å²	93	69.5 Å²	69.5	35%	0.351	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-37.1	173.9	-72.7	176.1	175.6	-77.1	-15	112.8	K93 E179 Q181 L185 S187	K93-R183 PolarHBondContact O-NH2 3.36Å; K93-R183 VanDerWaalsContact O-NH2 3.12Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.3Å; E179-R183 IonicContact OE1-CZ 2.67Å; E179-R183 IonicContact OE1-NE 2.72Å; E179-R183 PolarHBondContact OE1-NE 2.66Å; E179-R183 IonicContact OE1-NH2 2.77Å; E179-R183 PolarHBondContact OE1-NH2 2.84Å; Q181-R183 PolarHBondContact O-N 3.18Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 2.64Å; R183-S187 WeakPolarHBondContact O-CB 3.31Å; R183-S187 PolarHBondContact O-N 3.41Å
184	G	71.5	Confident	72.5	Confident	43 Å²	43	69.3 Å²	69.3	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-27.6	174.5	0	0	0	0	0	114.2	K180 Q181 F182 R188	K180-G184 PolarHBondContact O-N 2.83Å; K180-G184 VanDerWaalsContact O-N 3.15Å; Q181-G184 PolarHBondContact O-N 3.27Å; Q181-G184 VanDerWaalsContact O-N 3.16Å; F182-G184 VanDerWaalsContact C-N 3.31Å; F182-G184 PolarHBondContact O-N 3.4Å; G184-R188 WeakPolarHBondContact O-CG 3.42Å
185	L	67.1	Low	73.4	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-78	-49.9	172.6	-67.2	164.8	0	0	0	110.9	Q181 F182 R183 S187 R188 I189 V445 M449	Q181-L185 PolarHBondContact O-N 2.99Å; Q181-L185 VanDerWaalsContact O-N 3.12Å; F182-L185 HydrophobicContact CD1-CD1 4.29Å; F182-L185 WeakPolarHBondContact O-CB 3.32Å; F182-L185 PolarHBondContact O-N 3.04Å; F182-L185 VanDerWaalsContact O-N 3.13Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 2.64Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.42Å; L185-R188 WeakPolarHBondContact O-CA 3.29Å; L185-R188 WeakPolarHBondContact O-CB 3.21Å; L185-R188 PolarHBondContact O-N 2.66Å; L185-I189 PolarHBondContact O-N 3.44Å; L185-I189 VanDerWaalsContact O-N 3.08Å; L185-V445 HydrophobicContact CD1-CB 4.38Å; L185-V445 HydrophobicContact CD1-CG1 3.66Å; L185-V445 HydrophobicContact CD2-CG1 4.07Å; L185-V445 HydrophobicContact CG-CG1 4.49Å; L185-M449 HydrophobicContact CD2-SD 3.86Å
186	Q	69.4	Low	74.2	Confident	95 Å²	95	68 Å²	68	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-55.1	-47.9	179	-178.4	60.9	30	0	0	112	F182 R188 I189 E190	F182-Q186 PolarHBondContact O-N 2.74Å; Q186-R188 PolarHBondContact O-N 3.11Å; Q186-R188 VanDerWaalsContact O-N 3.17Å; Q186-I189 PolarHBondContact O-N 2.9Å; Q186-I189 VanDerWaalsContact O-N 3.15Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.44Å; Q186-E190 PolarHBondContact NE2-OE1 3.5Å; Q186-E190 WeakPolarHBondContact O-CG 3.35Å; Q186-E190 PolarHBondContact O-N 3.39Å; Q186-E190 VanDerWaalsContact O-N 3.08Å
187	S	73.8	Confident	74.7	Confident	54 Å²	54	63.5 Å²	63.5	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-19	177.6	-179.4	0	0	0	0	113.8	R183 L185 Q191	R183-S187 WeakPolarHBondContact O-CB 3.31Å; R183-S187 PolarHBondContact O-N 3.41Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.42Å; S187-Q191 VanDerWaalsContact O-CD 3.31Å; S187-Q191 WeakPolarHBondContact O-CG 3.21Å
188	R	69.8	Low	75.5	Confident	142 Å²	142	62.5 Å²	62.5	54%	0.536	30%	0.298	S	S	.	.	H	α-helix	trans	-83	-41.5	172.1	-74.1	-67.8	-170	171.8	4.1	112.2	G184 L185 Q186 E190 Q191 E192 M449	G184-R188 WeakPolarHBondContact O-CG 3.42Å; L185-R188 WeakPolarHBondContact O-CA 3.29Å; L185-R188 WeakPolarHBondContact O-CB 3.21Å; L185-R188 PolarHBondContact O-N 2.66Å; Q186-R188 PolarHBondContact O-N 3.11Å; Q186-R188 VanDerWaalsContact O-N 3.17Å; R188-E190 VanDerWaalsContact C-N 3.27Å; R188-E190 PolarHBondContact O-N 3.37Å; R188-Q191 PolarHBondContact O-N 3.23Å; R188-E192 PolarHBondContact O-N 2.99Å; R188-M449 HydrophobicContact CB-SD 4.35Å; R188-M449 HydrophobicContact CG-SD 4.39Å
189	I	69.9	Low	76.5	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-45.5	174	-62.3	167.2	0	0	0	109.9	L185 Q186 Q191 E192 L454	L185-I189 PolarHBondContact O-N 3.44Å; L185-I189 VanDerWaalsContact O-N 3.08Å; Q186-I189 PolarHBondContact O-N 2.9Å; Q186-I189 VanDerWaalsContact O-N 3.15Å; I189-Q191 PolarHBondContact O-N 2.89Å; I189-E192 PolarHBondContact O-N 2.89Å; I189-L454 HydrophobicContact CG1-CD1 3.84Å; I189-L454 HydrophobicContact CG1-CD2 4.11Å; I189-L454 HydrophobicContact CG1-CG 4.11Å
190	E	69.9	Low	77.1	Confident	66 Å²	66	63.9 Å²	63.9	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-22	177.3	-69.6	165.7	-171.1	0	0	114.1	Q186 R188	Q186-E190 WeakPolarHBondContact CG-OE1 3.44Å; Q186-E190 PolarHBondContact NE2-OE1 3.5Å; Q186-E190 WeakPolarHBondContact O-CG 3.35Å; Q186-E190 PolarHBondContact O-N 3.39Å; Q186-E190 VanDerWaalsContact O-N 3.08Å; R188-E190 VanDerWaalsContact C-N 3.27Å; R188-E190 PolarHBondContact O-N 3.37Å
191	Q	71.4	Confident	77.2	Confident	104 Å²	104	60.2 Å²	60.2	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-86.1	-21.3	179.3	-78.9	171.3	11.8	0	0	113.9	S187 R188 I189	S187-Q191 VanDerWaalsContact O-CD 3.31Å; S187-Q191 WeakPolarHBondContact O-CG 3.21Å; R188-Q191 PolarHBondContact O-N 3.23Å; I189-Q191 PolarHBondContact O-N 2.89Å
192	E	70.3	Confident	77.8	Confident	106 Å²	106	63.5 Å²	63.5	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-83	-20.8	179.9	-66.3	-163.9	163.3	0	0	113	R188 I189 K194 L454	R188-E192 PolarHBondContact O-N 2.99Å; I189-E192 PolarHBondContact O-N 2.89Å; E192-K194 PolarHBondContact O-N 3.28Å; E192-L454 WeakPolarHBondContact OE2-CD2 3.32Å
193	Q	76.9	Confident	78.5	Confident	94 Å²	94	66 Å²	66	44%	0.439	34%	0.335	S	S	.	.			trans	-69.6	115.8	176.1	-69	-173.9	-28	0	0	111.9	P207 V208	Q193-P207 WeakPolarHBondContact O-CA 3.3Å; Q193-V208 HydrophobicContact CB-CB 4.35Å; Q193-V208 HydrophobicContact CB-CG2 3.97Å; Q193-V208 PolarHBondContact O-N 3.02Å
194	K	85.2	Confident	79.1	Confident	114 Å²	114	64.3 Å²	64.3	50%	0.496	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	179	-61.6	175.1	-170.4	171.9	0	110.8	E192 Q205 V206	E192-K194 PolarHBondContact O-N 3.28Å; K194-Q205 HydrophobicContact CB-CB 4.48Å; K194-Q205 HydrophobicContact CD-CB 4.4Å; K194-V206 CarbonylContact C-O 3.56Å; K194-V206 VanDerWaalsContact CA-O 3.22Å; K194-V206 WeakPolarHBondContact CA-O 3.46Å
195	F	89.3	Confident	79.7	Confident	5 Å²	5	68.5 Å²	68.5	2%	0.022	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	156	173.8	-145.8	-96.5	0	0	0	112.2	Q205 V206 V208 L211 A217 Q218 V219 D223 L224 L225 P226	F195-Q205 WeakPolarHBondContact O-CA 3.42Å; F195-V206 PolarHBondContact N-O 3.19Å; F195-V206 PolarHBondContact O-N 3.36Å; F195-V208 HydrophobicContact CB-CG2 4.48Å; F195-L211 HydrophobicContact CB-CD1 4.19Å; F195-A217 HydrophobicContact CD1-CB 4.05Å; F195-A217 HydrophobicContact CE1-CB 3.95Å; F195-Q218 WeakPolarHBondContact CE1-O 3.32Å; F195-V219 HydrophobicContact CE1-CG1 4.15Å; F195-V219 HydrophobicContact CZ-CG1 4.08Å; F195-D223 HydrophobicContact CE2-CB 3.88Å; F195-D223 HydrophobicContact CZ-CB 4Å; F195-L224 VanDerWaalsContact CE2-O 3.31Å; F195-L224 WeakPolarHBondContact CE2-O 3.35Å; F195-L225 HydrophobicContact CZ-CD2 4.42Å; F195-P226 HydrophobicContact CB-CG 4.14Å; F195-P226 HydrophobicContact CD1-CG 4.18Å; F195-P226 HydrophobicContact CD2-CB 4.41Å; F195-P226 HydrophobicContact CD2-CG 3.65Å; F195-P226 HydrophobicContact CE2-CG 4.13Å; F195-P226 HydrophobicContact CG-CG 3.69Å
196	T	89.6	Confident	80.7	Confident	29 Å²	29	68.6 Å²	68.6	18%	0.178	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.9	179.8	-52.3	0	0	0	0	110.5	L203 L204 Q218	T196-L203 HydrophobicContact CG2-CD2 3.85Å; T196-L204 WeakPolarHBondContact CA-O 3.23Å; T196-Q218 HydrophobicContact CG2-CB 4.33Å; T196-Q218 PolarHBondContact O-N 3.17Å
197	V	92.6	Very high	81.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.1	178	-63.1	0	0	0	0	111.6	R199 L204 V206 L211 D215 I216 A217	V197-R199 HydrophobicContact CG2-CG 4.36Å; V197-L204 HydrophobicContact CG2-CB 4.38Å; V197-L204 PolarHBondContact N-O 2.73Å; V197-L204 PolarHBondContact O-N 3.4Å; V197-V206 HydrophobicContact CG1-CG2 3.99Å; V197-V206 HydrophobicContact CG2-CB 4.41Å; V197-V206 HydrophobicContact CG2-CG1 3.78Å; V197-V206 HydrophobicContact CG2-CG2 3.74Å; V197-L211 HydrophobicContact CG1-CD2 3.4Å; V197-L211 VanDerWaalsContact CG1-CD2 3.4Å; V197-D215 HydrophobicContact CG1-CB 4.39Å; V197-I216 CarbonylContact C-O 3.53Å; V197-I216 WeakPolarHBondContact CA-O 3.17Å; V197-A217 HydrophobicContact CG1-CB 4.49Å
198	I	89.4	Confident	82.4	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.7	169.4	-52.3	175	0	0	0	108.3	G70 Q202 L203 I216	G70-I198 WeakPolarHBondContact CA-O 3.35Å; I198-Q202 WeakPolarHBondContact CA-O 3.49Å; I198-L203 HydrophobicContact CD1-CD2 4.43Å; I198-L203 HydrophobicContact CG1-CD2 3.67Å; I198-L203 HydrophobicContact CG1-CG 4.5Å; I198-I216 HydrophobicContact CB-CB 4.37Å; I198-I216 HydrophobicContact CD1-CG2 4.16Å; I198-I216 PolarHBondContact N-O 3.17Å
199	R	90.5	Very high	83.3	Confident	13 Å²	13	60.8 Å²	60.8	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.5	169.3	-64.1	-172.1	-177.8	164.9	4.1	109.8	E69 L71 D73 V197 G201 Q202 L204 D215	E69-R199 CarbonylContact O-C 3.56Å; L71-R199 HydrophobicContact CB-CG 4.38Å; L71-R199 CarbonylContact O-C 3.56Å; L71-R199 VanDerWaalsContact O-CA 3.22Å; L71-R199 WeakPolarHBondContact O-CA 3.39Å; L71-R199 WeakPolarHBondContact O-CB 3.3Å; D73-R199 HydrophobicContact CB-CB 4.49Å; D73-R199 VanDerWaalsContact OD1-CD 3.25Å; D73-R199 WeakPolarHBondContact OD1-CD 3.29Å; D73-R199 IonicContact OD1-CZ 3.86Å; D73-R199 IonicContact OD1-NE 3.85Å; D73-R199 IonicContact OD1-NH1 2.66Å; D73-R199 PolarHBondContact OD1-NH1 3.02Å; V197-R199 HydrophobicContact CG2-CG 4.36Å; R199-G201 PolarHBondContact O-N 3Å; R199-G201 VanDerWaalsContact O-N 3.11Å; R199-Q202 PolarHBondContact N-O 3.18Å; R199-Q202 PolarHBondContact O-N 3.23Å; R199-L204 HydrophobicContact CB-CD1 4.15Å; R199-D215 IonicContact CZ-OD1 3.2Å; R199-D215 IonicContact CZ-OD2 2.86Å; R199-D215 IonicContact NE-OD1 2.63Å; R199-D215 PolarHBondContact NE-OD1 3.44Å; R199-D215 IonicContact NE-OD2 2.75Å; R199-D215 VanDerWaalsContact NH2-CG 3.35Å; R199-D215 IonicContact NH2-OD1 3.3Å; R199-D215 PolarHBondContact NH2-OD1 3.01Å; R199-D215 IonicContact NH2-OD2 3.18Å; R199-D215 PolarHBondContact NH2-OD2 3Å
200	N	86.6	Confident	84.2	Confident	100 Å²	100	60.4 Å²	60.4	54%	0.535	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	32.2	-171.6	-60.4	-37	0	0	0	113.6	E69 L71 A72 D73 Q202	E69-N200 PolarHBondContact O-N 3.12Å; L71-N200 PolarHBondContact O-N 2.92Å; A72-N200 WeakPolarHBondContact CA-OD1 3.48Å; D73-N200 WeakPolarHBondContact CB-ND2 3.36Å; D73-N200 PolarHBondContact N-OD1 3.29Å; N200-Q202 PolarHBondContact O-N 2.9Å
201	G	78.9	Confident	85.3	Confident	46 Å²	46	57.3 Å²	57.3	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	1.3	-174	0	0	0	0	0	115.9	E69 R199	E69-G201 PolarHBondContact O-N 2.84Å; R199-G201 PolarHBondContact O-N 3Å; R199-G201 VanDerWaalsContact O-N 3.11Å
202	Q	81.3	Confident	86.4	Confident	129 Å²	129	52.4 Å²	52.4	60%	0.603	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.6	179.7	-60.2	-171.5	8.1	0	0	111.6	I198 R199 N200 L204	I198-Q202 WeakPolarHBondContact CA-O 3.49Å; R199-Q202 PolarHBondContact N-O 3.18Å; R199-Q202 PolarHBondContact O-N 3.23Å; N200-Q202 PolarHBondContact O-N 2.9Å; Q202-L204 HydrophobicContact CB-CD2 4.44Å
203	L	81.8	Confident	87.5	Confident	105 Å²	105	47.4 Å²	47.4	55%	0.55	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.4	173.5	-77.4	165.1	0	0	0	110.1	T196 I198 Q218	T196-L203 HydrophobicContact CG2-CD2 3.85Å; I198-L203 HydrophobicContact CD1-CD2 4.43Å; I198-L203 HydrophobicContact CG1-CD2 3.67Å; I198-L203 HydrophobicContact CG1-CG 4.5Å; L203-Q218 HydrophobicContact CD2-CB 4.38Å
204	L	85.5	Confident	88.2	Confident	57 Å²	57	42.9 Å²	42.9	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144	-178.2	-57.1	179.1	0	0	0	110.2	T196 V197 R199 Q202	T196-L204 WeakPolarHBondContact CA-O 3.23Å; V197-L204 HydrophobicContact CG2-CB 4.38Å; V197-L204 PolarHBondContact N-O 2.73Å; V197-L204 PolarHBondContact O-N 3.4Å; R199-L204 HydrophobicContact CB-CD1 4.15Å; Q202-L204 HydrophobicContact CB-CD2 4.44Å
205	Q	84.1	Confident	88.7	Confident	130 Å²	130	37.5 Å²	37.5	61%	0.607	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.1	165.1	-75.7	-170.6	-8.1	0	0	109.7	K194 F195	K194-Q205 HydrophobicContact CB-CB 4.48Å; K194-Q205 HydrophobicContact CD-CB 4.4Å; F195-Q205 WeakPolarHBondContact O-CA 3.42Å
206	V	89.1	Confident	88.9	Confident	15 Å²	15	37.2 Å²	37.2	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.8	177.7	-61.5	0	0	0	0	110.2	K194 F195 V197 L211	K194-V206 CarbonylContact C-O 3.56Å; K194-V206 VanDerWaalsContact CA-O 3.22Å; K194-V206 WeakPolarHBondContact CA-O 3.46Å; F195-V206 PolarHBondContact N-O 3.19Å; F195-V206 PolarHBondContact O-N 3.36Å; V197-V206 HydrophobicContact CG1-CG2 3.99Å; V197-V206 HydrophobicContact CG2-CB 4.41Å; V197-V206 HydrophobicContact CG2-CG1 3.78Å; V197-V206 HydrophobicContact CG2-CG2 3.74Å; V206-L211 HydrophobicContact CG2-CD2 3.67Å; V206-L211 HydrophobicContact CG2-CG 4.3Å
207	P	89	Confident	89	Confident	63 Å²	63	35.9 Å²	35.9	41%	0.409	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	144.1	170.5	-23	33.9	0	0	0	111.2	Q193 A209 A210	Q193-P207 WeakPolarHBondContact O-CA 3.3Å; P207-A209 PolarHBondContact O-N 3.24Å; P207-A210 HydrophobicContact CB-CB 4.41Å; P207-A210 WeakPolarHBondContact O-CB 3.29Å; P207-A210 PolarHBondContact O-N 3.37Å
208	V	89.6	Confident	88.9	Confident	28 Å²	28	39 Å²	39	17%	0.17	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.2	-39.3	-178.8	161	0	0	0	0	112.4	N88 Q193 F195 A210 L211 P226	N88-V208 PolarHBondContact ND2-O 3.29Å; Q193-V208 HydrophobicContact CB-CB 4.35Å; Q193-V208 HydrophobicContact CB-CG2 3.97Å; Q193-V208 PolarHBondContact O-N 3.02Å; F195-V208 HydrophobicContact CB-CG2 4.48Å; V208-A210 PolarHBondContact O-N 3.26Å; V208-L211 WeakPolarHBondContact O-CG 3.25Å; V208-L211 PolarHBondContact O-N 2.93Å; V208-P226 HydrophobicContact CB-CB 4.44Å; V208-P226 HydrophobicContact CG1-CB 3.82Å; V208-P226 HydrophobicContact CG2-CB 3.9Å
209	A	88	Confident	88.9	Confident	37 Å²	37	38.7 Å²	38.7	31%	0.306	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-71.6	-3.7	177.7	0	0	0	0	0	115.4	Q87 N88 P207	Q87-A209 PolarHBondContact NE2-O 2.82Å; N88-A209 WeakPolarHBondContact O-CA 3.45Å; P207-A209 PolarHBondContact O-N 3.24Å
210	A	89.8	Confident	88.5	Confident	23 Å²	23	43.2 Å²	43.2	19%	0.19	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-102.8	-4.7	178.1	0	0	0	0	0	114	P207 V208	P207-A210 HydrophobicContact CB-CB 4.41Å; P207-A210 WeakPolarHBondContact O-CB 3.29Å; P207-A210 PolarHBondContact O-N 3.37Å; V208-A210 PolarHBondContact O-N 3.26Å
211	L	92.1	Very high	88.1	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.229	C	C	.	.			trans	-64.7	145.1	173.9	-66.7	170.2	0	0	0	111.7	N88 F195 V197 V206 V208 P226	N88-L211 HydrophobicContact CB-CB 4.26Å; F195-L211 HydrophobicContact CB-CD1 4.19Å; V197-L211 HydrophobicContact CG1-CD2 3.4Å; V197-L211 VanDerWaalsContact CG1-CD2 3.4Å; V206-L211 HydrophobicContact CG2-CD2 3.67Å; V206-L211 HydrophobicContact CG2-CG 4.3Å; V208-L211 WeakPolarHBondContact O-CG 3.25Å; V208-L211 PolarHBondContact O-N 2.93Å; L211-P226 HydrophobicContact CD1-CB 3.74Å; L211-P226 HydrophobicContact CD1-CG 3.38Å
212	V	94.1	Very high	87.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.			trans	-136.1	157.9	177.4	-60.8	0	0	0	0	112.3	L71 L78 R81 R82 G214 D215	L71-V212 HydrophobicContact CD1-CG2 3.76Å; L78-V212 HydrophobicContact CD2-CG2 3.67Å; R81-V212 HydrophobicContact CB-CB 4.05Å; R81-V212 HydrophobicContact CB-CG1 4.48Å; R81-V212 HydrophobicContact CB-CG2 4.33Å; R82-V212 HydrophobicContact CG-CG1 3.82Å; V212-G214 PolarHBondContact O-N 3.04Å; V212-D215 WeakPolarHBondContact CG2-OD2 3.46Å; V212-D215 PolarHBondContact N-OD2 2.66Å; V212-D215 WeakPolarHBondContact O-CB 3.5Å; V212-D215 PolarHBondContact O-N 3.4Å
213	V	94.4	Very high	87.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	126.8	174.9	173.1	0	0	0	0	111.1	L34 L63 R81 Y85 T277 V279	L34-V213 HydrophobicContact CD1-CG1 3.71Å; L63-V213 HydrophobicContact CD1-CG1 4.47Å; L63-V213 HydrophobicContact CD2-CG1 3.96Å; R81-V213 WeakPolarHBondContact CD-O 3.21Å; R81-V213 PolarHBondContact NH1-O 2.75Å; Y85-V213 HydrophobicContact CD1-CG1 4.32Å; Y85-V213 HydrophobicContact CD2-CB 3.82Å; Y85-V213 HydrophobicContact CD2-CG1 4.01Å; Y85-V213 HydrophobicContact CD2-CG2 4.48Å; Y85-V213 HydrophobicContact CE2-CB 4.49Å; Y85-V213 HydrophobicContact CE2-CG1 4.25Å; Y85-V213 HydrophobicContact CG-CB 3.88Å; Y85-V213 HydrophobicContact CG-CG1 4.05Å; Y85-V213 HydrophobicContact CG-CG2 4.06Å; V213-T277 WeakPolarHBondContact CG2-O 3.27Å; V213-V279 HydrophobicContact CG2-CG1 4.22Å; V213-V279 HydrophobicContact CG2-CG2 4.08Å
214	G	91.9	Very high	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-6.1	-172	0	0	0	0	0	115.4	T65 L71 V212 V276	T65-G214 WeakPolarHBondContact CB-O 3.2Å; T65-G214 WeakPolarHBondContact CG2-O 3.46Å; T65-G214 PolarHBondContact OG1-O 3.27Å; L71-G214 WeakPolarHBondContact CG-O 3.31Å; V212-G214 PolarHBondContact O-N 3.04Å; G214-V276 PolarHBondContact N-O 3.16Å
215	D	94.1	Very high	88.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.			trans	-58.4	143.7	165	-90.3	-43.6	0	0	0	109.9	V197 R199 V212 V276	V197-D215 HydrophobicContact CG1-CB 4.39Å; R199-D215 IonicContact CZ-OD1 3.2Å; R199-D215 IonicContact CZ-OD2 2.86Å; R199-D215 IonicContact NE-OD1 2.63Å; R199-D215 PolarHBondContact NE-OD1 3.44Å; R199-D215 IonicContact NE-OD2 2.75Å; R199-D215 VanDerWaalsContact NH2-CG 3.35Å; R199-D215 IonicContact NH2-OD1 3.3Å; R199-D215 PolarHBondContact NH2-OD1 3.01Å; R199-D215 IonicContact NH2-OD2 3.18Å; R199-D215 PolarHBondContact NH2-OD2 3Å; V212-D215 WeakPolarHBondContact CG2-OD2 3.46Å; V212-D215 PolarHBondContact N-OD2 2.66Å; V212-D215 WeakPolarHBondContact O-CB 3.5Å; V212-D215 PolarHBondContact O-N 3.4Å; D215-V276 HydrophobicContact CB-CB 4.47Å; D215-V276 HydrophobicContact CB-CG2 4.14Å; D215-V276 PolarHBondContact O-N 2.82Å
216	I	94.1	Very high	88.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.7	171.7	-55.5	-62.1	0	0	0	107.7	T65 S66 V197 I198 I232 M274 V275	T65-I216 HydrophobicContact CG2-CD1 4.08Å; S66-I216 WeakPolarHBondContact O-CG1 3.43Å; V197-I216 CarbonylContact C-O 3.53Å; V197-I216 WeakPolarHBondContact CA-O 3.17Å; I198-I216 HydrophobicContact CB-CB 4.37Å; I198-I216 HydrophobicContact CD1-CG2 4.16Å; I198-I216 PolarHBondContact N-O 3.17Å; I216-I232 HydrophobicContact CD1-CD1 3.72Å; I216-I232 HydrophobicContact CG2-CD1 4.14Å; I216-M274 CarbonylContact C-O 3.11Å; I216-M274 WeakPolarHBondContact CA-O 3.49Å; I216-V275 HydrophobicContact CD1-CB 3.81Å; I216-V275 HydrophobicContact CD1-CG2 4.03Å
217	A	93.1	Very high	88.6	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.6	180	0	0	0	0	0	110.4	F195 V197 R273 M274 V276	F195-A217 HydrophobicContact CD1-CB 4.05Å; F195-A217 HydrophobicContact CE1-CB 3.95Å; V197-A217 HydrophobicContact CG1-CB 4.49Å; A217-R273 WeakPolarHBondContact O-CA 3.49Å; A217-M274 HydrophobicContact CB-CE 3.79Å; A217-M274 HydrophobicContact CB-CG 3.86Å; A217-M274 PolarHBondContact N-O 3.02Å; A217-M274 PolarHBondContact O-N 3.23Å; A217-V276 HydrophobicContact CB-CG2 4.26Å
218	Q	89.9	Confident	88.9	Confident	64 Å²	64	19.4 Å²	19.4	30%	0.299	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.2	169.9	-175.2	177.8	9.7	0	0	108.7	F195 T196 L203	F195-Q218 WeakPolarHBondContact CE1-O 3.32Å; T196-Q218 HydrophobicContact CG2-CB 4.33Å; T196-Q218 PolarHBondContact O-N 3.17Å; L203-Q218 HydrophobicContact CD2-CB 4.38Å
219	V	89.3	Confident	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.5	179.7	-55.7	0	0	0	0	110.1	F195 L225 L237 V267 S271 G272 M274	F195-V219 HydrophobicContact CE1-CG1 4.15Å; F195-V219 HydrophobicContact CZ-CG1 4.08Å; V219-L225 HydrophobicContact CB-CD2 4.22Å; V219-L225 HydrophobicContact CG1-CD2 3.6Å; V219-L237 HydrophobicContact CG2-CD1 4.23Å; V219-L237 HydrophobicContact CG2-CD2 4.25Å; V219-V267 HydrophobicContact CB-CG2 4.38Å; V219-S271 CarbonylContact O-C 3.58Å; V219-S271 WeakPolarHBondContact O-CA 3.33Å; V219-S271 WeakPolarHBondContact O-CB 3.47Å; V219-G272 PolarHBondContact N-O 2.87Å; V219-G272 PolarHBondContact O-N 3.11Å; V219-M274 HydrophobicContact CG1-CE 4.18Å; V219-M274 HydrophobicContact CG1-CG 4.18Å; V219-M274 HydrophobicContact CG1-SD 3.96Å
220	K	82.6	Confident	89.4	Confident	107 Å²	107	16.3 Å²	16.3	47%	0.465	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.1	178.7	52.2	161.5	-168.4	177.6	0	110	G222 D223 V267	K220-G222 PolarHBondContact O-N 3.21Å; K220-D223 WeakPolarHBondContact CE-OD1 3.21Å; K220-D223 WeakPolarHBondContact CG-OD2 3.42Å; K220-D223 PolarHBondContact N-OD2 3.15Å; K220-D223 IonicContact NZ-OD1 2.74Å; K220-D223 WeakPolarHBondContact O-CB 3.23Å; K220-D223 PolarHBondContact O-N 3.3Å; K220-V267 WeakPolarHBondContact O-CB 3.17Å; K220-V267 WeakPolarHBondContact O-CG1 3.49Å
221	Y	77.3	Confident	89.5	Confident	86 Å²	86	15.2 Å²	15.2	34%	0.337	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.2	125.6	166.8	171.2	-112.3	0	0	0	113	M268 G270 T796	Y221-M268 WeakPolarHBondContact CD2-O 3.44Å; Y221-M268 WeakPolarHBondContact CE2-O 3.4Å; Y221-G270 PolarHBondContact N-O 2.86Å; Y221-T796 HydrophobicContact CD2-CG2 4.36Å; Y221-T796 HydrophobicContact CE2-CG2 3.63Å; Y221-T796 VanDerWaalsContact CE2-OG1 3.29Å; Y221-T796 WeakPolarHBondContact CE2-OG1 3.47Å; Y221-T796 PolarHBondContact OH-N 2.75Å; Y221-T796 PolarHBondContact OH-OG1 2.76Å
222	G	70.6	Confident	89.4	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-2.4	177	0	0	0	0	0	116.5	K220 V267 T816 D817	K220-G222 PolarHBondContact O-N 3.21Å; G222-V267 PolarHBondContact N-O 2.96Å; G222-T816 WeakPolarHBondContact O-CB 3.24Å; G222-D817 PolarHBondContact O-N 3.14Å
223	D	81	Confident	88.9	Confident	7 Å²	7	22.4 Å²	22.4	4%	0.037	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-74.4	141.5	173.6	-71.8	-18.3	0	0	0	112	F195 K220 V267	F195-D223 HydrophobicContact CE2-CB 3.88Å; F195-D223 HydrophobicContact CZ-CB 4Å; K220-D223 WeakPolarHBondContact CE-OD1 3.21Å; K220-D223 WeakPolarHBondContact CG-OD2 3.42Å; K220-D223 PolarHBondContact N-OD2 3.15Å; K220-D223 IonicContact NZ-OD1 2.74Å; K220-D223 WeakPolarHBondContact O-CB 3.23Å; K220-D223 PolarHBondContact O-N 3.3Å; D223-V267 HydrophobicContact CB-CG2 4.3Å; D223-V267 PolarHBondContact O-N 2.71Å
224	L	85.9	Confident	88.3	Confident	31 Å²	31	23.9 Å²	23.9	16%	0.162	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-87.2	126.9	159	165.7	64.6	0	0	0	108.4	F195 P226 D817	F195-L224 VanDerWaalsContact CE2-O 3.31Å; F195-L224 WeakPolarHBondContact CE2-O 3.35Å; L224-P226 WeakPolarHBondContact O-CD 3.42Å; L224-D817 HydrophobicContact CB-CB 3.82Å
225	L	90.8	Very high	87.8	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-72.9	121.6	179.3	-63.8	-168	0	0	0	111.3	F195 V219 I239 L261 L262 S263 G264 T265 V267 M274	F195-L225 HydrophobicContact CZ-CD2 4.42Å; V219-L225 HydrophobicContact CB-CD2 4.22Å; V219-L225 HydrophobicContact CG1-CD2 3.6Å; L225-I239 HydrophobicContact CD1-CD1 4.07Å; L225-L261 HydrophobicContact CD1-CB 3.99Å; L225-L261 HydrophobicContact CD1-CD2 3.96Å; L225-L262 WeakPolarHBondContact CB-O 3.38Å; L225-S263 WeakPolarHBondContact O-CA 3.43Å; L225-G264 PolarHBondContact O-N 3.23Å; L225-T265 PolarHBondContact N-O 3.06Å; L225-V267 HydrophobicContact CD2-CG2 3.86Å; L225-V267 HydrophobicContact CG-CG2 4.33Å; L225-M274 HydrophobicContact CD2-CE 4.46Å
226	P	89.6	Confident	86.9	Confident	18 Å²	18	34.5 Å²	34.5	12%	0.117	18%	0.176	C	C	.	.			trans	-93.5	-6.6	-170.1	37.8	-39.5	0	0	0	114.4	N88 F195 V208 L211 L224	N88-P226 PolarHBondContact ND2-O 2.77Å; N88-P226 PolarHBondContact OD1-O 3.47Å; F195-P226 HydrophobicContact CB-CG 4.14Å; F195-P226 HydrophobicContact CD1-CG 4.18Å; F195-P226 HydrophobicContact CD2-CB 4.41Å; F195-P226 HydrophobicContact CD2-CG 3.65Å; F195-P226 HydrophobicContact CE2-CG 4.13Å; F195-P226 HydrophobicContact CG-CG 3.69Å; V208-P226 HydrophobicContact CB-CB 4.44Å; V208-P226 HydrophobicContact CG1-CB 3.82Å; V208-P226 HydrophobicContact CG2-CB 3.9Å; L211-P226 HydrophobicContact CD1-CB 3.74Å; L211-P226 HydrophobicContact CD1-CG 3.38Å; L224-P226 WeakPolarHBondContact O-CD 3.42Å
227	A	93.7	Very high	86.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-160.6	157.6	-174	0	0	0	0	0	108.5	V276 V279	A227-V276 HydrophobicContact CB-CG1 3.75Å; A227-V276 HydrophobicContact CB-CG2 4.47Å; A227-V279 HydrophobicContact CB-CG1 4.02Å
228	D	94.4	Very high	85.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.7	174.6	-53.4	-18.5	0	0	0	110.1	M38 L261 S263 T277 A278 S283 Q284	M38-D228 HydrophobicContact CB-CB 4.47Å; M38-D228 HydrophobicContact CG-CB 3.83Å; M38-D228 HydrophobicContact SD-CB 3.63Å; D228-L261 CarbonylContact C-O 3.3Å; D228-L261 WeakPolarHBondContact CA-O 3.36Å; D228-S263 VanDerWaalsContact OD1-CB 3.25Å; D228-S263 WeakPolarHBondContact OD1-CB 3.41Å; D228-S263 PolarHBondContact OD1-N 3.14Å; D228-S263 PolarHBondContact OD1-OG 3.11Å; D228-T277 PolarHBondContact O-N 2.87Å; D228-T277 PolarHBondContact O-OG1 2.84Å; D228-A278 HydrophobicContact CB-CB 4.17Å; D228-A278 PolarHBondContact N-O 3.49Å; D228-A278 PolarHBondContact O-N 3.19Å; D228-S283 WeakPolarHBondContact OD2-CA 3.49Å; D228-S283 WeakPolarHBondContact OD2-CB 3.44Å; D228-Q284 PolarHBondContact OD2-N 2.94Å
229	G	94.3	Very high	85.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	175.1	-176.7	0	0	0	0	0	115.7	L261 V275 T277	G229-L261 PolarHBondContact N-O 2.86Å; G229-L261 PolarHBondContact O-N 2.92Å; G229-V275 CarbonylContact C-O 3.53Å; G229-V275 WeakPolarHBondContact CA-O 3.48Å; G229-T277 WeakPolarHBondContact CA-OG1 3.38Å; G229-T277 PolarHBondContact N-OG1 3.33Å
230	V	94.1	Very high	84.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	175.5	-170.8	0	0	0	0	109.8	L37 M38 I49 V56 L59 I232 P259 M260 M274 V275 T277	L37-V230 HydrophobicContact CD2-CG2 4.34Å; M38-V230 HydrophobicContact CE-CG2 4.03Å; I49-V230 HydrophobicContact CD1-CG1 3.8Å; V56-V230 HydrophobicContact CG1-CG1 4.05Å; V56-V230 HydrophobicContact CG2-CG1 3.97Å; L59-V230 HydrophobicContact CD2-CB 4.33Å; L59-V230 HydrophobicContact CD2-CG2 3.72Å; V230-I232 PolarHBondContact O-N 2.95Å; V230-P259 WeakPolarHBondContact CA-O 3.32Å; V230-P259 HydrophobicContact CG1-CB 4.07Å; V230-M260 HydrophobicContact CB-CE 4.29Å; V230-M260 HydrophobicContact CG1-CE 3.97Å; V230-M260 HydrophobicContact CG2-CE 3.81Å; V230-M274 CarbonylContact O-C 3.48Å; V230-M274 WeakPolarHBondContact O-CA 3.3Å; V230-M274 WeakPolarHBondContact O-CB 3.47Å; V230-V275 HydrophobicContact CB-CG1 3.95Å; V230-V275 PolarHBondContact N-O 3.02Å; V230-V275 PolarHBondContact O-N 3.44Å; V230-T277 HydrophobicContact CG2-CG2 3.8Å
231	L	92.7	Very high	84.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.6	176.1	-172.2	67.1	0	0	0	110.7	Q233 L237 K253 P259 L261	L231-Q233 VanDerWaalsContact CD1-O 3.31Å; L231-Q233 WeakPolarHBondContact CD1-O 3.4Å; L231-L237 HydrophobicContact CD1-CD2 3.66Å; L231-L237 HydrophobicContact CD2-CD2 4.2Å; L231-K253 HydrophobicContact CD2-CB 4.29Å; L231-P259 HydrophobicContact CB-CB 4.06Å; L231-P259 WeakPolarHBondContact CB-O 3.22Å; L231-P259 PolarHBondContact N-O 3.44Å; L231-L261 HydrophobicContact CB-CD1 3.83Å; L231-L261 HydrophobicContact CB-CG 4.47Å; L231-L261 HydrophobicContact CD1-CD1 4.01Å
232	I	88.8	Confident	83.8	Confident	42 Å²	42	27.5 Å²	27.5	22%	0.215	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-41.1	176.4	-55.2	165.8	0	0	0	109.9	V56 P67 I216 V230 R273 V275	V56-I232 HydrophobicContact CG1-CG1 3.92Å; P67-I232 HydrophobicContact CB-CG2 4.27Å; I216-I232 HydrophobicContact CD1-CD1 3.72Å; I216-I232 HydrophobicContact CG2-CD1 4.14Å; V230-I232 PolarHBondContact O-N 2.95Å; I232-R273 PolarHBondContact N-O 2.97Å; I232-V275 HydrophobicContact CD1-CB 4.15Å; I232-V275 HydrophobicContact CG1-CG1 4.46Å
233	Q	84.8	Confident	83.4	Confident	111 Å²	111	31 Å²	31	52%	0.519	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	137.4	-178.3	-173.8	-178.3	20.4	0	0	108.6	L231 G272 R273	L231-Q233 VanDerWaalsContact CD1-O 3.31Å; L231-Q233 WeakPolarHBondContact CD1-O 3.4Å; Q233-G272 CarbonylContact O-C 3.56Å; Q233-G272 WeakPolarHBondContact O-CA 3.46Å; Q233-R273 PolarHBondContact N-O 3.48Å; Q233-R273 PolarHBondContact O-N 2.82Å
234	G	81.9	Confident	82.8	Confident	31 Å²	31	32.9 Å²	32.9	32%	0.32	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.9	176.8	0	0	0	0	0	112.5	S271	G234-S271 CarbonylContact C-O 3.59Å; G234-S271 WeakPolarHBondContact CA-O 3.21Å
235	N	80.2	Confident	81.9	Confident	103 Å²	103	34.8 Å²	34.8	55%	0.551	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	108	175.6	-66.2	-25.9	0	0	0	108.1	L237 G270 S271	N235-L237 PolarHBondContact O-N 3.31Å; N235-L237 VanDerWaalsContact O-N 3.09Å; N235-G270 VanDerWaalsContact O-CA 3.23Å; N235-G270 WeakPolarHBondContact O-CA 3.45Å; N235-S271 PolarHBondContact N-O 2.87Å; N235-S271 PolarHBondContact O-N 2.89Å; N235-S271 VanDerWaalsContact O-N 3.15Å
236	D	76.2	Confident	80	Confident	121 Å²	121	37.7 Å²	37.7	65%	0.647	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	44	39.3	-177.8	-77.9	-59.5	0	0	0	114.7	K238 R252	D236-K238 PolarHBondContact O-N 2.9Å; D236-R252 IonicContact OD1-NH1 3.98Å
237	L	77.3	Confident	78.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.2	-175.6	-169.3	67.3	0	0	0	111	V219 L231 N235 K253 L261 V267 E269	V219-L237 HydrophobicContact CG2-CD1 4.23Å; V219-L237 HydrophobicContact CG2-CD2 4.25Å; L231-L237 HydrophobicContact CD1-CD2 3.66Å; L231-L237 HydrophobicContact CD2-CD2 4.2Å; N235-L237 PolarHBondContact O-N 3.31Å; N235-L237 VanDerWaalsContact O-N 3.09Å; L237-K253 HydrophobicContact CB-CB 4.48Å; L237-K253 HydrophobicContact CD2-CB 4.14Å; L237-K253 HydrophobicContact CG-CB 4.37Å; L237-K253 PolarHBondContact O-N 2.92Å; L237-L261 HydrophobicContact CD2-CD2 4.1Å; L237-V267 HydrophobicContact CD1-CG1 3.52Å; L237-E269 WeakPolarHBondContact CA-O 3.32Å
238	K	79.5	Confident	76.3	Confident	35 Å²	35	48 Å²	48	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.4	172.3	-59.1	-179.5	-169.1	153.4	0	111	D236 H250 V251 R252 M268 E269	D236-K238 PolarHBondContact O-N 2.9Å; K238-H250 HydrophobicContact CB-CB 4.33Å; K238-H250 HydrophobicContact CD-CB 4.31Å; K238-V251 CarbonylContact C-O 3.48Å; K238-V251 VanDerWaalsContact CA-O 3.31Å; K238-V251 WeakPolarHBondContact CA-O 3.49Å; K238-R252 HydrophobicContact CG-CG 4.05Å; K238-M268 PolarHBondContact O-N 2.75Å; K238-E269 HydrophobicContact CB-CB 4.04Å; K238-E269 HydrophobicContact CD-CB 4.07Å; K238-E269 HydrophobicContact CD-CG 4.16Å; K238-E269 WeakPolarHBondContact CD-OE1 3.35Å; K238-E269 WeakPolarHBondContact CE-OE2 2.97Å; K238-E269 HydrophobicContact CG-CB 4.16Å; K238-E269 PolarHBondContact N-O 2.84Å; K238-E269 IonicContact NZ-OE1 3.93Å; K238-E269 PolarHBondContact NZ-OE1 3.13Å; K238-E269 IonicContact NZ-OE2 3.21Å; K238-E269 PolarHBondContact NZ-OE2 2.82Å; K238-E269 PolarHBondContact O-N 3.26Å
239	I	81.8	Confident	74.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.1	-173.4	-60.2	-168.6	0	0	0	110.3	L225 E241 H250 V251 K253 L261 T265 H266	L225-I239 HydrophobicContact CD1-CD1 4.07Å; I239-E241 HydrophobicContact CG2-CG 3.87Å; I239-H250 CarbonylContact O-C 3.53Å; I239-V251 PolarHBondContact N-O 2.89Å; I239-V251 PolarHBondContact O-N 3.01Å; I239-K253 HydrophobicContact CB-CG 4.48Å; I239-K253 HydrophobicContact CD1-CG 3.9Å; I239-K253 HydrophobicContact CG1-CG 4.05Å; I239-L261 HydrophobicContact CD1-CD2 3.22Å; I239-T265 WeakPolarHBondContact CG2-OG1 3.38Å; I239-H266 VanDerWaalsContact CA-O 3.28Å; I239-H266 WeakPolarHBondContact CA-O 3.46Å; I239-H266 WeakPolarHBondContact CG2-O 3.14Å
240	D	75.8	Confident	73.5	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.144	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.5	165.3	174	8.7	0	0	0	108.6	S242 T265 H266 M268	D240-S242 WeakPolarHBondContact OD1-CB 3.27Å; D240-S242 PolarHBondContact OD1-N 3.22Å; D240-S242 PolarHBondContact OD1-OG 2.91Å; D240-S242 PolarHBondContact OD2-OG 3.36Å; D240-T265 VanDerWaalsContact O-CB 3.3Å; D240-T265 WeakPolarHBondContact O-CB 3.38Å; D240-H266 PolarHBondContact N-O 3.36Å; D240-H266 PolarHBondContact O-N 3.09Å; D240-M268 HydrophobicContact CB-CG 3.55Å; D240-M268 HydrophobicContact CB-SD 4.21Å
241	E	79.4	Confident	72.9	Confident	11 Å²	11	61 Å²	61	5%	0.051	36%	0.355	C	S	.	.			trans	-102	9.3	178.6	-56.2	-162.4	141.2	0	0	112.7	I239 S243 L244 T245 V251 K253 T265	I239-E241 HydrophobicContact CG2-CG 3.87Å; E241-S243 PolarHBondContact O-N 3.5Å; E241-S243 VanDerWaalsContact O-N 3.13Å; E241-L244 WeakPolarHBondContact O-CA 3.45Å; E241-L244 PolarHBondContact O-N 2.9Å; E241-T245 HydrophobicContact CB-CG2 4.16Å; E241-T245 PolarHBondContact O-N 3.16Å; E241-T245 PolarHBondContact O-OG1 3.13Å; E241-V251 HydrophobicContact CG-CG2 4.22Å; E241-K253 WeakPolarHBondContact OE1-CE 3.36Å; E241-K253 IonicContact OE1-NZ 2.86Å; E241-K253 PolarHBondContact OE1-NZ 3.16Å; E241-K253 IonicContact OE2-NZ 3.25Å; E241-K253 PolarHBondContact OE2-NZ 3.31Å; E241-T265 HydrophobicContact CB-CG2 4.21Å; E241-T265 HydrophobicContact CG-CG2 4.1Å
242	S	66.6	Low	72.4	Confident	35 Å²	35	68.9 Å²	68.9	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-58.1	-30.4	-173.8	62.3	0	0	0	0	114.2	D240 L244 G246 E247	D240-S242 WeakPolarHBondContact OD1-CB 3.27Å; D240-S242 PolarHBondContact OD1-N 3.22Å; D240-S242 PolarHBondContact OD1-OG 2.91Å; D240-S242 PolarHBondContact OD2-OG 3.36Å; S242-L244 PolarHBondContact O-N 3.29Å; S242-L244 VanDerWaalsContact O-N 3.11Å; S242-G246 WeakPolarHBondContact O-CA 3.5Å; S242-G246 PolarHBondContact O-N 2.92Å; S242-E247 WeakPolarHBondContact CA-O 3.38Å; S242-E247 VanDerWaalsContact CB-O 3.29Å; S242-E247 WeakPolarHBondContact CB-O 3.47Å
243	S	61.9	Low	72.3	Confident	75 Å²	75	67.2 Å²	67.2	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-56.6	-20.7	170.8	-57.3	0	0	0	0	114.4	E241 G264	E241-S243 PolarHBondContact O-N 3.5Å; E241-S243 VanDerWaalsContact O-N 3.13Å; S243-G264 VanDerWaalsContact CB-O 3.31Å; S243-G264 WeakPolarHBondContact CB-O 3.32Å; S243-G264 PolarHBondContact OG-O 3.13Å
244	L	69.6	Low	72.3	Confident	46 Å²	46	64.1 Å²	64.1	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-118.6	-38.6	-177.6	-68.4	177.9	0	0	0	113.3	E241 S242 L262 T265 I288	E241-L244 WeakPolarHBondContact O-CA 3.45Å; E241-L244 PolarHBondContact O-N 2.9Å; S242-L244 PolarHBondContact O-N 3.29Å; S242-L244 VanDerWaalsContact O-N 3.11Å; L244-L262 HydrophobicContact CD1-CB 3.69Å; L244-L262 HydrophobicContact CD1-CD1 3.75Å; L244-L262 HydrophobicContact CD1-CG 4.35Å; L244-T265 HydrophobicContact CD1-CG2 3.72Å; L244-T265 HydrophobicContact CG-CG2 4.32Å; L244-I288 HydrophobicContact CD2-CD1 3.6Å
245	T	67.4	Low	72.3	Confident	71 Å²	71	64.1 Å²	64.1	44%	0.436	36%	0.364	S	S	.	.	H	α-helix	trans	-95.9	-24.6	-176.9	61.3	0	0	0	0	113.4	E241 E247	E241-T245 HydrophobicContact CB-CG2 4.16Å; E241-T245 PolarHBondContact O-N 3.16Å; E241-T245 PolarHBondContact O-OG1 3.13Å; T245-E247 PolarHBondContact O-N 2.96Å; T245-E247 PolarHBondContact OG1-N 3.1Å
246	G	49.1	Very low	72.4	Confident	63 Å²	63	66 Å²	66	65%	0.649	37%	0.374	S	S	*	.	S	Bend	trans	76.1	-2.9	-165.5	0	0	0	0	0	114.5	S242	S242-G246 WeakPolarHBondContact O-CA 3.5Å; S242-G246 PolarHBondContact O-N 2.92Å
247	E	56.6	Low	72.7	Confident	141 Å²	141	68 Å²	68	66%	0.659	38%	0.377	S	S	*	.			trans	-93.8	124.2	179	-61.2	-177.9	158.1	0	0	110.1	S242 T245 D249	S242-E247 WeakPolarHBondContact CA-O 3.38Å; S242-E247 VanDerWaalsContact CB-O 3.29Å; S242-E247 WeakPolarHBondContact CB-O 3.47Å; T245-E247 PolarHBondContact O-N 2.96Å; T245-E247 PolarHBondContact OG1-N 3.1Å; E247-D249 VanDerWaalsContact C-N 3.34Å; E247-D249 PolarHBondContact O-N 3.39Å
248	S	50.7	Low	73.2	Confident	95 Å²	95	68.8 Å²	68.8	66%	0.664	38%	0.381	S	S	*	.			trans	-87.7	7.5	-174.3	-48.9	0	0	0	0	115
249	D	56.9	Low	73.7	Confident	138 Å²	138	67.2 Å²	67.2	74%	0.738	37%	0.374	S	S	*	.	S	Bend	trans	-83.3	137.3	-178.3	-81.9	-36.7	0	0	0	112.1	E247 V251	E247-D249 VanDerWaalsContact C-N 3.34Å; E247-D249 PolarHBondContact O-N 3.39Å; D249-V251 PolarHBondContact O-N 3.23Å; D249-V251 VanDerWaalsContact O-N 3.08Å
250	H	72.8	Confident	74.2	Confident	86 Å²	86	67.2 Å²	67.2	40%	0.398	37%	0.374	S	S	.	.			trans	-70.1	103.7	-178.4	-69.1	-178.9	0	0	0	112.1	K238 I239 R252 M268	K238-H250 HydrophobicContact CB-CB 4.33Å; K238-H250 HydrophobicContact CD-CB 4.31Å; I239-H250 CarbonylContact O-C 3.53Å; H250-R252 PolarHBondContact O-N 2.9Å; H250-M268 WeakPolarHBondContact NE2-CE 3.47Å
251	V	81.3	Confident	75	Confident	48 Å²	48	65.9 Å²	65.9	29%	0.291	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.5	178.1	-174	0	0	0	0	110.2	K238 I239 E241 D249 K253	K238-V251 CarbonylContact C-O 3.48Å; K238-V251 VanDerWaalsContact CA-O 3.31Å; K238-V251 WeakPolarHBondContact CA-O 3.49Å; I239-V251 PolarHBondContact N-O 2.89Å; I239-V251 PolarHBondContact O-N 3.01Å; E241-V251 HydrophobicContact CG-CG2 4.22Å; D249-V251 PolarHBondContact O-N 3.23Å; D249-V251 VanDerWaalsContact O-N 3.08Å; V251-K253 HydrophobicContact CG1-CD 4.16Å
252	R	82.1	Confident	75.6	Confident	165 Å²	165	65.4 Å²	65.4	62%	0.623	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.1	170.7	-75.5	-178	-179.8	-107.6	8.4	110.1	D236 K238 H250	D236-R252 IonicContact OD1-NH1 3.98Å; K238-R252 HydrophobicContact CG-CG 4.05Å; H250-R252 PolarHBondContact O-N 2.9Å
253	K	86.3	Confident	76.7	Confident	8 Å²	8	64 Å²	64	4%	0.035	36%	0.355	C	S	.	.			trans	-106.3	135.3	176.4	-58.5	-65.1	-177.5	163.4	0	110.6	L231 L237 I239 E241 V251 D258 M260	L231-K253 HydrophobicContact CD2-CB 4.29Å; L237-K253 HydrophobicContact CB-CB 4.48Å; L237-K253 HydrophobicContact CD2-CB 4.14Å; L237-K253 HydrophobicContact CG-CB 4.37Å; L237-K253 PolarHBondContact O-N 2.92Å; I239-K253 HydrophobicContact CB-CG 4.48Å; I239-K253 HydrophobicContact CD1-CG 3.9Å; I239-K253 HydrophobicContact CG1-CG 4.05Å; E241-K253 WeakPolarHBondContact OE1-CE 3.36Å; E241-K253 IonicContact OE1-NZ 2.86Å; E241-K253 PolarHBondContact OE1-NZ 3.16Å; E241-K253 IonicContact OE2-NZ 3.25Å; E241-K253 PolarHBondContact OE2-NZ 3.31Å; V251-K253 HydrophobicContact CG1-CD 4.16Å; K253-D258 WeakPolarHBondContact CA-O 3.49Å; K253-D258 HydrophobicContact CD-CB 4.25Å; K253-D258 WeakPolarHBondContact CD-O 3.44Å; K253-D258 WeakPolarHBondContact CD-OD2 3.42Å; K253-D258 WeakPolarHBondContact CE-OD2 3.29Å; K253-D258 IonicContact NZ-OD1 2.76Å; K253-D258 IonicContact NZ-OD2 2.61Å; K253-D258 PolarHBondContact NZ-OD2 3.27Å; K253-M260 WeakPolarHBondContact CD-O 3.21Å; K253-M260 VanDerWaalsContact CE-O 3.32Å; K253-M260 WeakPolarHBondContact CE-O 3.33Å; K253-M260 PolarHBondContact NZ-O 2.86Å
254	S	84.6	Confident	77.7	Confident	45 Å²	45	61.4 Å²	61.4	32%	0.315	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-150.6	151.2	174.3	71.2	0	0	0	0	110.3	D256 K257 D258	S254-D256 PolarHBondContact O-N 2.89Å; S254-D256 VanDerWaalsContact O-N 3.11Å; S254-K257 PolarHBondContact O-N 3.04Å; S254-K257 WeakPolarHBondContact OG-CB 3.48Å; S254-K257 PolarHBondContact OG-N 3.14Å; S254-D258 PolarHBondContact N-O 2.79Å; S254-D258 CarbonylContact O-C 3.35Å; S254-D258 PolarHBondContact O-N 3.04Å
255	A	82.9	Confident	78.5	Confident	32 Å²	32	59.2 Å²	59.2	26%	0.264	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.5	-178.1	0	0	0	0	0	112.2	L46	L46-A255 WeakPolarHBondContact CD2-O 3.33Å
256	D	81.5	Confident	79.1	Confident	142 Å²	142	56.8 Å²	56.8	76%	0.759	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-6	-170.8	-30.4	-93.8	0	0	0	114.8	L46 S254	L46-D256 VanDerWaalsContact CD1-C 3.49Å; L46-D256 WeakPolarHBondContact CD1-O 3.42Å; S254-D256 PolarHBondContact O-N 2.89Å; S254-D256 VanDerWaalsContact O-N 3.11Å
257	K	81.7	Confident	80.7	Confident	163 Å²	163	53.8 Å²	53.8	71%	0.709	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-43.4	-177.9	-169.1	-177.3	177.2	-173.1	0	115.1	G42 L46 S254	G42-K257 CarbonylContact C-O 3.58Å; G42-K257 WeakPolarHBondContact CA-O 3.47Å; L46-K257 VanDerWaalsContact CD1-C 3.42Å; L46-K257 WeakPolarHBondContact CD1-O 3.3Å; S254-K257 PolarHBondContact O-N 3.04Å; S254-K257 WeakPolarHBondContact OG-CB 3.48Å; S254-K257 PolarHBondContact OG-N 3.14Å
258	D	87.8	Confident	81.4	Confident	19 Å²	19	48.6 Å²	48.6	10%	0.102	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-151.7	92.1	172.5	-174.3	20.2	0	0	0	109.6	G42 K253 S254 M260	G42-D258 WeakPolarHBondContact CA-OD1 3.33Å; G42-D258 PolarHBondContact N-OD1 2.56Å; G42-D258 VanDerWaalsContact N-OD1 3.09Å; K253-D258 WeakPolarHBondContact CA-O 3.49Å; K253-D258 HydrophobicContact CD-CB 4.25Å; K253-D258 WeakPolarHBondContact CD-O 3.44Å; K253-D258 WeakPolarHBondContact CD-OD2 3.42Å; K253-D258 WeakPolarHBondContact CE-OD2 3.29Å; K253-D258 IonicContact NZ-OD1 2.76Å; K253-D258 IonicContact NZ-OD2 2.61Å; K253-D258 PolarHBondContact NZ-OD2 3.27Å; S254-D258 PolarHBondContact N-O 2.79Å; S254-D258 CarbonylContact O-C 3.35Å; S254-D258 PolarHBondContact O-N 3.04Å; D258-M260 VanDerWaalsContact C-N 3.3Å; D258-M260 PolarHBondContact OD1-N 2.7Å
259	P	90.8	Very high	82.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.244	C	C	.	.			trans	-86.5	4.8	-180	32.1	-32.1	0	0	0	113.3	L46 I49 V230 L231	L46-P259 HydrophobicContact CD2-CG 4.42Å; L46-P259 HydrophobicContact CG-CG 4.05Å; I49-P259 HydrophobicContact CD1-CG 4.11Å; V230-P259 WeakPolarHBondContact CA-O 3.32Å; V230-P259 HydrophobicContact CG1-CB 4.07Å; L231-P259 HydrophobicContact CB-CB 4.06Å; L231-P259 WeakPolarHBondContact CB-O 3.22Å; L231-P259 PolarHBondContact N-O 3.44Å
260	M	92.1	Very high	83.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.1	-176	-64	-64.6	93.6	0	0	112.5	M38 A45 I49 V230 K253 D258	M38-M260 HydrophobicContact CE-CE 4.02Å; M38-M260 HydrophobicContact CE-SD 3.5Å; M38-M260 WeakPolarHBondContact CE-SD 3.29Å; M38-M260 HydrophobicContact SD-SD 4.42Å; A45-M260 HydrophobicContact CB-CE 4.1Å; A45-M260 HydrophobicContact CB-CG 3.59Å; A45-M260 HydrophobicContact CB-SD 3.74Å; I49-M260 HydrophobicContact CD1-CE 3.89Å; V230-M260 HydrophobicContact CB-CE 4.29Å; V230-M260 HydrophobicContact CG1-CE 3.97Å; V230-M260 HydrophobicContact CG2-CE 3.81Å; K253-M260 WeakPolarHBondContact CD-O 3.21Å; K253-M260 VanDerWaalsContact CE-O 3.32Å; K253-M260 WeakPolarHBondContact CE-O 3.33Å; K253-M260 PolarHBondContact NZ-O 2.86Å; D258-M260 VanDerWaalsContact C-N 3.3Å; D258-M260 PolarHBondContact OD1-N 2.7Å
261	L	92.6	Very high	83.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.9	-179	-68	163.6	0	0	0	108.7	L225 D228 G229 L231 L237 I239 M274	L225-L261 HydrophobicContact CD1-CB 3.99Å; L225-L261 HydrophobicContact CD1-CD2 3.96Å; D228-L261 CarbonylContact C-O 3.3Å; D228-L261 WeakPolarHBondContact CA-O 3.36Å; G229-L261 PolarHBondContact N-O 2.86Å; G229-L261 PolarHBondContact O-N 2.92Å; L231-L261 HydrophobicContact CB-CD1 3.83Å; L231-L261 HydrophobicContact CB-CG 4.47Å; L231-L261 HydrophobicContact CD1-CD1 4.01Å; L237-L261 HydrophobicContact CD2-CD2 4.1Å; I239-L261 HydrophobicContact CD1-CD2 3.22Å; L261-M274 HydrophobicContact CB-SD 3.83Å; L261-M274 HydrophobicContact CD1-CB 3.34Å; L261-M274 HydrophobicContact CD1-CG 4.04Å; L261-M274 HydrophobicContact CD1-SD 3.6Å; L261-M274 HydrophobicContact CG-SD 4.3Å
262	L	91.8	Very high	84.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.207	C	C	.	.			trans	-120.7	133.2	-165.5	-54.6	175.9	0	0	0	111.4	L225 L244 T265 Q284	L225-L262 WeakPolarHBondContact CB-O 3.38Å; L244-L262 HydrophobicContact CD1-CB 3.69Å; L244-L262 HydrophobicContact CD1-CD1 3.75Å; L244-L262 HydrophobicContact CD1-CG 4.35Å; L262-T265 HydrophobicContact CB-CG2 3.86Å; L262-T265 WeakPolarHBondContact O-CB 3.38Å; L262-T265 PolarHBondContact O-N 3.34Å; L262-T265 PolarHBondContact O-OG1 2.77Å; L262-Q284 HydrophobicContact CD2-CG 4.24Å
263	S	90.4	Very high	84.5	Confident	5 Å²	5	34.5 Å²	34.5	4%	0.035	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	139	171.8	52.6	0	0	0	0	111.5	L225 D228 S283 T285	L225-S263 WeakPolarHBondContact O-CA 3.43Å; D228-S263 VanDerWaalsContact OD1-CB 3.25Å; D228-S263 WeakPolarHBondContact OD1-CB 3.41Å; D228-S263 PolarHBondContact OD1-N 3.14Å; D228-S263 PolarHBondContact OD1-OG 3.11Å; S263-S283 WeakPolarHBondContact OG-CB 3.45Å; S263-S283 PolarHBondContact OG-OG 2.79Å; S263-T285 PolarHBondContact O-OG1 3.41Å
264	G	82.8	Confident	84.8	Confident	20 Å²	20	34.1 Å²	34.1	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	5.8	-176.4	0	0	0	0	0	115.1	L225 S243	L225-G264 PolarHBondContact O-N 3.23Å; S243-G264 VanDerWaalsContact CB-O 3.31Å; S243-G264 WeakPolarHBondContact CB-O 3.32Å; S243-G264 PolarHBondContact OG-O 3.13Å
265	T	86.9	Confident	85.3	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.			trans	-107.1	158.2	174.3	68.6	0	0	0	0	111.5	L225 I239 D240 E241 L244 L262	L225-T265 PolarHBondContact N-O 3.06Å; I239-T265 WeakPolarHBondContact CG2-OG1 3.38Å; D240-T265 VanDerWaalsContact O-CB 3.3Å; D240-T265 WeakPolarHBondContact O-CB 3.38Å; E241-T265 HydrophobicContact CB-CG2 4.21Å; E241-T265 HydrophobicContact CG-CG2 4.1Å; L244-T265 HydrophobicContact CD1-CG2 3.72Å; L244-T265 HydrophobicContact CG-CG2 4.32Å; L262-T265 HydrophobicContact CB-CG2 3.86Å; L262-T265 WeakPolarHBondContact O-CB 3.38Å; L262-T265 PolarHBondContact O-N 3.34Å; L262-T265 PolarHBondContact O-OG1 2.77Å
266	H	80.6	Confident	85.9	Confident	20 Å²	20	30.4 Å²	30.4	9%	0.093	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.2	-171.4	-62.2	-62.9	0	0	0	112.8	I239 D240 M268 V818 E821	I239-H266 VanDerWaalsContact CA-O 3.28Å; I239-H266 WeakPolarHBondContact CA-O 3.46Å; I239-H266 WeakPolarHBondContact CG2-O 3.14Å; D240-H266 PolarHBondContact N-O 3.36Å; D240-H266 PolarHBondContact O-N 3.09Å; H266-M268 HydrophobicContact CB-SD 4.31Å; H266-M268 PolarHBondContact O-N 3.05Å; H266-V818 HydrophobicContact CB-CG2 3.83Å; H266-E821 IonicContact CE1-OE2 4Å; H266-E821 PolarHBondContact CE1-OE2 2.68Å; H266-E821 IonicContact NE2-OE2 2.75Å
267	V	81.3	Confident	86.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104.2	177	-174.6	0	0	0	0	110.5	V219 K220 G222 D223 L225 L237	V219-V267 HydrophobicContact CB-CG2 4.38Å; K220-V267 WeakPolarHBondContact O-CB 3.17Å; K220-V267 WeakPolarHBondContact O-CG1 3.49Å; G222-V267 PolarHBondContact N-O 2.96Å; D223-V267 HydrophobicContact CB-CG2 4.3Å; D223-V267 PolarHBondContact O-N 2.71Å; L225-V267 HydrophobicContact CD2-CG2 3.86Å; L225-V267 HydrophobicContact CG-CG2 4.33Å; L237-V267 HydrophobicContact CD1-CG1 3.52Å
268	M	72.5	Confident	87	Confident	32 Å²	32	16 Å²	16	16%	0.158	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-27.3	-173	-64.5	-57.7	-88.4	0	0	114.2	Y221 K238 D240 H250 H266	Y221-M268 WeakPolarHBondContact CD2-O 3.44Å; Y221-M268 WeakPolarHBondContact CE2-O 3.4Å; K238-M268 PolarHBondContact O-N 2.75Å; D240-M268 HydrophobicContact CB-CG 3.55Å; D240-M268 HydrophobicContact CB-SD 4.21Å; H250-M268 WeakPolarHBondContact NE2-CE 3.47Å; H266-M268 HydrophobicContact CB-SD 4.31Å; H266-M268 PolarHBondContact O-N 3.05Å
269	E	73.2	Confident	87.3	Confident	81 Å²	81	15.1 Å²	15.1	38%	0.379	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.7	170.1	-64.6	178.8	-129.8	0	0	110.8	L237 K238	L237-E269 WeakPolarHBondContact CA-O 3.32Å; K238-E269 HydrophobicContact CB-CB 4.04Å; K238-E269 HydrophobicContact CD-CB 4.07Å; K238-E269 HydrophobicContact CD-CG 4.16Å; K238-E269 WeakPolarHBondContact CD-OE1 3.35Å; K238-E269 WeakPolarHBondContact CE-OE2 2.97Å; K238-E269 HydrophobicContact CG-CB 4.16Å; K238-E269 PolarHBondContact N-O 2.84Å; K238-E269 IonicContact NZ-OE1 3.93Å; K238-E269 PolarHBondContact NZ-OE1 3.13Å; K238-E269 IonicContact NZ-OE2 3.21Å; K238-E269 PolarHBondContact NZ-OE2 2.82Å; K238-E269 PolarHBondContact O-N 3.26Å
270	G	75	Confident	87.2	Confident	28 Å²	28	15.1 Å²	15.1	29%	0.289	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-159.7	171	0	0	0	0	0	115.7	Y221 N235	Y221-G270 PolarHBondContact N-O 2.86Å; N235-G270 VanDerWaalsContact O-CA 3.23Å; N235-G270 WeakPolarHBondContact O-CA 3.45Å
271	S	81.8	Confident	87	Confident	40 Å²	40	17.8 Å²	17.8	28%	0.28	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	164.4	176.9	56.4	0	0	0	0	111.7	V219 G234 N235	V219-S271 CarbonylContact O-C 3.58Å; V219-S271 WeakPolarHBondContact O-CA 3.33Å; V219-S271 WeakPolarHBondContact O-CB 3.47Å; G234-S271 CarbonylContact C-O 3.59Å; G234-S271 WeakPolarHBondContact CA-O 3.21Å; N235-S271 PolarHBondContact N-O 2.87Å; N235-S271 PolarHBondContact O-N 2.89Å; N235-S271 VanDerWaalsContact O-N 3.15Å
272	G	86.6	Confident	86.9	Confident	9 Å²	9	19 Å²	19	9%	0.093	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-171.1	178.6	0	0	0	0	0	114.9	V219 Q233	V219-G272 PolarHBondContact N-O 2.87Å; V219-G272 PolarHBondContact O-N 3.11Å; Q233-G272 CarbonylContact O-C 3.56Å; Q233-G272 WeakPolarHBondContact O-CA 3.46Å
273	R	90.6	Very high	86.8	Confident	78 Å²	78	19.1 Å²	19.1	29%	0.294	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.5	173.1	-62.8	-178.8	-178.9	-154.9	-0.4	109.3	A217 I232 Q233	A217-R273 WeakPolarHBondContact O-CA 3.49Å; I232-R273 PolarHBondContact N-O 2.97Å; Q233-R273 PolarHBondContact N-O 3.48Å; Q233-R273 PolarHBondContact O-N 2.82Å
274	M	94	Very high	86.5	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.5	177.7	72.2	178	-172	0	0	112.5	I216 A217 V219 L225 V230 L261	I216-M274 CarbonylContact C-O 3.11Å; I216-M274 WeakPolarHBondContact CA-O 3.49Å; A217-M274 HydrophobicContact CB-CE 3.79Å; A217-M274 HydrophobicContact CB-CG 3.86Å; A217-M274 PolarHBondContact N-O 3.02Å; A217-M274 PolarHBondContact O-N 3.23Å; V219-M274 HydrophobicContact CG1-CE 4.18Å; V219-M274 HydrophobicContact CG1-CG 4.18Å; V219-M274 HydrophobicContact CG1-SD 3.96Å; L225-M274 HydrophobicContact CD2-CE 4.46Å; V230-M274 CarbonylContact O-C 3.48Å; V230-M274 WeakPolarHBondContact O-CA 3.3Å; V230-M274 WeakPolarHBondContact O-CB 3.47Å; L261-M274 HydrophobicContact CB-SD 3.83Å; L261-M274 HydrophobicContact CD1-CB 3.34Å; L261-M274 HydrophobicContact CD1-CG 4.04Å; L261-M274 HydrophobicContact CD1-SD 3.6Å; L261-M274 HydrophobicContact CG-SD 4.3Å
275	V	95	Very high	86.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.4	165.8	56.9	0	0	0	0	109.2	V56 L59 L63 T65 I216 G229 V230 I232	V56-V275 HydrophobicContact CG1-CG1 4.38Å; L59-V275 HydrophobicContact CD2-CG1 4.23Å; L63-V275 HydrophobicContact CD1-CG2 3.88Å; T65-V275 HydrophobicContact CG2-CG2 4.05Å; I216-V275 HydrophobicContact CD1-CB 3.81Å; I216-V275 HydrophobicContact CD1-CG2 4.03Å; G229-V275 CarbonylContact C-O 3.53Å; G229-V275 WeakPolarHBondContact CA-O 3.48Å; V230-V275 HydrophobicContact CB-CG1 3.95Å; V230-V275 PolarHBondContact N-O 3.02Å; V230-V275 PolarHBondContact O-N 3.44Å; I232-V275 HydrophobicContact CD1-CB 4.15Å; I232-V275 HydrophobicContact CG1-CG1 4.46Å
276	V	95.7	Very high	86.3	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.4	178.5	176.8	0	0	0	0	110.1	G214 D215 A217 A227 V279	G214-V276 PolarHBondContact N-O 3.16Å; D215-V276 HydrophobicContact CB-CB 4.47Å; D215-V276 HydrophobicContact CB-CG2 4.14Å; D215-V276 PolarHBondContact O-N 2.82Å; A217-V276 HydrophobicContact CB-CG2 4.26Å; A227-V276 HydrophobicContact CB-CG1 3.75Å; A227-V276 HydrophobicContact CB-CG2 4.47Å; V276-V279 HydrophobicContact CG1-CG1 3.61Å
277	T	93.1	Very high	86.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-35.9	-176.7	43.7	0	0	0	0	113.5	L34 M38 L59 V213 D228 G229 V230	L34-T277 HydrophobicContact CD2-CG2 4.31Å; M38-T277 HydrophobicContact CE-CG2 4.3Å; M38-T277 PolarHBondContact SD-OG1 3.19Å; L59-T277 HydrophobicContact CD2-CG2 4.18Å; V213-T277 WeakPolarHBondContact CG2-O 3.27Å; D228-T277 PolarHBondContact O-N 2.87Å; D228-T277 PolarHBondContact O-OG1 2.84Å; G229-T277 WeakPolarHBondContact CA-OG1 3.38Å; G229-T277 PolarHBondContact N-OG1 3.33Å; V230-T277 HydrophobicContact CG2-CG2 3.8Å
278	A	93	Very high	86.2	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.6	178.9	0	0	0	0	0	112.2	M38 D228	M38-A278 HydrophobicContact CG-CB 4.19Å; D228-A278 HydrophobicContact CB-CB 4.17Å; D228-A278 PolarHBondContact N-O 3.49Å; D228-A278 PolarHBondContact O-N 3.19Å
279	V	93.8	Very high	86	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.157	C	C	.	.			trans	-137.1	151.3	-170.8	-66.9	0	0	0	0	111.6	G86 N88 V213 A227 V276 V281 N282	G86-V279 WeakPolarHBondContact O-CG2 3.29Å; N88-V279 HydrophobicContact CB-CB 3.83Å; N88-V279 HydrophobicContact CB-CG1 4.15Å; N88-V279 WeakPolarHBondContact OD1-CA 3.45Å; N88-V279 WeakPolarHBondContact OD1-CB 3.3Å; V213-V279 HydrophobicContact CG2-CG1 4.22Å; V213-V279 HydrophobicContact CG2-CG2 4.08Å; A227-V279 HydrophobicContact CB-CG1 4.02Å; V276-V279 HydrophobicContact CG1-CG1 3.61Å; V279-V281 PolarHBondContact O-N 2.9Å; V279-N282 WeakPolarHBondContact O-CB 3.16Å; V279-N282 PolarHBondContact O-N 3.09Å; V279-N282 VanDerWaalsContact O-N 3.11Å
280	G	88.9	Confident	86.1	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	55.1	-135.2	175.6	0	0	0	0	0	112.3	N88 N282 S283 G286	N88-G280 PolarHBondContact OD1-N 2.87Å; G280-N282 PolarHBondContact O-N 3.21Å; G280-S283 PolarHBondContact O-N 3.09Å; G280-S283 PolarHBondContact O-OG 3.15Å; G280-G286 WeakPolarHBondContact O-CA 3.42Å
281	V	87.9	Confident	85.9	Confident	55 Å²	55	33.2 Å²	33.2	33%	0.333	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-60.6	-10.9	178.9	-60.5	0	0	0	0	115.2	V279	V279-V281 PolarHBondContact O-N 2.9Å
282	N	90.2	Very high	84.9	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.134	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-92.7	-10	176.8	-65.3	-44.4	0	0	0	113.4	L31 Y85 V279 G280	L31-N282 HydrophobicContact CD1-CB 4.11Å; Y85-N282 PolarHBondContact O-ND2 3.27Å; V279-N282 WeakPolarHBondContact O-CB 3.16Å; V279-N282 PolarHBondContact O-N 3.09Å; V279-N282 VanDerWaalsContact O-N 3.11Å; G280-N282 PolarHBondContact O-N 3.21Å
283	S	90.1	Very high	83.2	Confident	4 Å²	4	40 Å²	40	3%	0.028	22%	0.22	C	C	.	.	S	Bend	trans	-79	161.7	175	90.6	0	0	0	0	111.5	D228 S263 G280 T285 G286 I287	D228-S283 WeakPolarHBondContact OD2-CA 3.49Å; D228-S283 WeakPolarHBondContact OD2-CB 3.44Å; S263-S283 WeakPolarHBondContact OG-CB 3.45Å; S263-S283 PolarHBondContact OG-OG 2.79Å; G280-S283 PolarHBondContact O-N 3.09Å; G280-S283 PolarHBondContact O-OG 3.15Å; S283-T285 PolarHBondContact O-N 3.38Å; S283-G286 CarbonylContact O-C 3.58Å; S283-G286 WeakPolarHBondContact O-CA 3.25Å; S283-G286 PolarHBondContact O-N 3.45Å; S283-G286 PolarHBondContact OG-N 3.1Å; S283-G286 VanDerWaalsContact OG-N 3.11Å; S283-I287 WeakPolarHBondContact O-CD1 3.37Å; S283-I287 VanDerWaalsContact O-CG1 3.26Å; S283-I287 WeakPolarHBondContact O-CG1 3.2Å; S283-I287 PolarHBondContact O-N 3.23Å
284	Q	84.1	Confident	80.9	Confident	28 Å²	28	39.3 Å²	39.3	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-55.7	-48.3	179.1	-65.8	-62.6	-63.6	0	0	112	M38 D228 L262 G286 I287 I288	M38-Q284 HydrophobicContact CB-CG 4.38Å; M38-Q284 WeakPolarHBondContact O-CG 3.48Å; M38-Q284 PolarHBondContact O-NE2 3.08Å; D228-Q284 PolarHBondContact OD2-N 2.94Å; L262-Q284 HydrophobicContact CD2-CG 4.24Å; Q284-G286 PolarHBondContact O-N 2.73Å; Q284-I287 PolarHBondContact O-N 2.97Å; Q284-I288 WeakPolarHBondContact O-CG1 3.22Å; Q284-I288 PolarHBondContact O-N 3.24Å; Q284-I288 VanDerWaalsContact O-N 3.1Å
285	T	82.6	Confident	77.9	Confident	37 Å²	37	42 Å²	42	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-40.4	173.5	-73.8	0	0	0	0	112.1	S263 S283 I287 I288 F289	S263-T285 PolarHBondContact O-OG1 3.41Å; S283-T285 PolarHBondContact O-N 3.38Å; T285-I287 PolarHBondContact O-N 3.43Å; T285-I288 PolarHBondContact O-N 2.88Å; T285-F289 WeakPolarHBondContact O-CB 3.43Å; T285-F289 PolarHBondContact O-N 3.22Å
286	G	81.8	Confident	75.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-37.5	176.9	0	0	0	0	0	114.1	G280 S283 Q284 T290	G280-G286 WeakPolarHBondContact O-CA 3.42Å; S283-G286 CarbonylContact O-C 3.58Å; S283-G286 WeakPolarHBondContact O-CA 3.25Å; S283-G286 PolarHBondContact O-N 3.45Å; S283-G286 PolarHBondContact OG-N 3.1Å; S283-G286 VanDerWaalsContact OG-N 3.11Å; Q284-G286 PolarHBondContact O-N 2.73Å; G286-T290 WeakPolarHBondContact O-CB 3.35Å; G286-T290 PolarHBondContact O-N 2.84Å; G286-T290 PolarHBondContact O-OG1 2.97Å
287	I	81.7	Confident	72.1	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.128	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-49.6	175.4	-67.2	158.8	0	0	0	109.8	R35 S283 Q284 T285 F289 T290 L291	R35-I287 HydrophobicContact CG-CD1 4.3Å; R35-I287 VanDerWaalsContact CZ-CD1 3.45Å; S283-I287 WeakPolarHBondContact O-CD1 3.37Å; S283-I287 VanDerWaalsContact O-CG1 3.26Å; S283-I287 WeakPolarHBondContact O-CG1 3.2Å; S283-I287 PolarHBondContact O-N 3.23Å; Q284-I287 PolarHBondContact O-N 2.97Å; T285-I287 PolarHBondContact O-N 3.43Å; I287-F289 PolarHBondContact O-N 2.97Å; I287-T290 PolarHBondContact O-N 2.96Å; I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.19Å
288	I	77.8	Confident	69.1	Low	77 Å²	77	55.3 Å²	55.3	40%	0.395	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-47.4	177.7	-67.3	163.6	0	0	0	110.7	L244 Q284 T285 T290 L291 L292	L244-I288 HydrophobicContact CD2-CD1 3.6Å; Q284-I288 WeakPolarHBondContact O-CG1 3.22Å; Q284-I288 PolarHBondContact O-N 3.24Å; Q284-I288 VanDerWaalsContact O-N 3.1Å; T285-I288 PolarHBondContact O-N 2.88Å; I288-T290 VanDerWaalsContact C-N 3.31Å; I288-T290 PolarHBondContact O-N 3.42Å; I288-L291 PolarHBondContact O-N 2.97Å; I288-L292 HydrophobicContact CG2-CD1 3.87Å; I288-L292 HydrophobicContact CG2-CG 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.49Å; I288-L292 PolarHBondContact O-N 3.18Å
289	F	69.6	Low	66.1	Low	127 Å²	127	63.3 Å²	63.3	56%	0.557	38%	0.376	S	S	*	.	H	α-helix	trans	-65.3	-34.1	-179.9	-150.1	-86.1	0	0	0	112.5	I90 T285 I287 G293	I90-F289 HydrophobicContact CG2-CD1 4.02Å; T285-F289 WeakPolarHBondContact O-CB 3.43Å; T285-F289 PolarHBondContact O-N 3.22Å; I287-F289 PolarHBondContact O-N 2.97Å; F289-G293 PolarHBondContact O-N 3.27Å
290	T	74	Confident	63.3	Low	69 Å²	69	72 Å²	72	42%	0.423	42%	0.416	S	S	.	.	H	α-helix	trans	-68	-41.6	175	-58.3	0	0	0	0	111.6	G286 I287 I288 G293 A294	G286-T290 WeakPolarHBondContact O-CB 3.35Å; G286-T290 PolarHBondContact O-N 2.84Å; G286-T290 PolarHBondContact O-OG1 2.97Å; I287-T290 PolarHBondContact O-N 2.96Å; I288-T290 VanDerWaalsContact C-N 3.31Å; I288-T290 PolarHBondContact O-N 3.42Å; T290-G293 PolarHBondContact O-N 3.09Å; T290-A294 WeakPolarHBondContact O-CB 3.25Å; T290-A294 PolarHBondContact O-N 3.22Å
291	L	71.1	Confident	60.6	Low	120 Å²	120	78.7 Å²	78.7	63%	0.628	45%	0.445	S	S	*	.	H	α-helix	trans	-64.4	-46.1	175.7	-70	167.7	0	0	0	111.7	I287 I288 G293 A294 G295	I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.19Å; I288-L291 PolarHBondContact O-N 2.97Å; L291-G293 VanDerWaalsContact C-N 3.32Å; L291-G293 PolarHBondContact O-N 3.01Å; L291-A294 PolarHBondContact O-N 3.43Å; L291-G295 PolarHBondContact O-N 3.1Å
292	L	62.2	Low	57.9	Low	130 Å²	130	83 Å²	83	68%	0.681	46%	0.459	S	S	*	.	H	α-helix	trans	-62.6	-37.5	175.4	-69.2	171.9	0	0	0	112.2	I288	I288-L292 HydrophobicContact CG2-CD1 3.87Å; I288-L292 HydrophobicContact CG2-CG 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.49Å; I288-L292 PolarHBondContact O-N 3.18Å
293	G	50.5	Low	55.2	Low	61 Å²	61	89.5 Å²	89.5	63%	0.629	49%	0.494	S	S	*	.	H	α-helix	trans	-68.9	-34.1	176.3	0	0	0	0	0	114	F289 T290 L291	F289-G293 PolarHBondContact O-N 3.27Å; T290-G293 PolarHBondContact O-N 3.09Å; L291-G293 VanDerWaalsContact C-N 3.32Å; L291-G293 PolarHBondContact O-N 3.01Å
294	A	41.5	Very low	52.5	Low	64 Å²	64	98.1 Å²	98.1	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-76.8	-34.4	-179.7	0	0	0	0	0	113.4	T290 L291 G296	T290-A294 WeakPolarHBondContact O-CB 3.25Å; T290-A294 PolarHBondContact O-N 3.22Å; L291-A294 PolarHBondContact O-N 3.43Å; A294-G296 PolarHBondContact O-N 3.11Å
295	G	31.2	Very low	50.1	Low	57 Å²	57	106.3 Å²	106.3	59%	0.588	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-11.6	-176.3	0	0	0	0	0	115.7	L291	L291-G295 PolarHBondContact O-N 3.1Å
296	G	35.5	Very low	47.4	Very low	64 Å²	64	108.1 Å²	108.1	66%	0.66	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-13	-172.3	0	0	0	0	0	117.2	A294	A294-G296 PolarHBondContact O-N 3.11Å
297	E	34	Very low	44.9	Very low	98 Å²	98	118 Å²	118	46%	0.458	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.2	-6.9	-171.2	-72.8	-169.1	-147.9	0	0	117	K93 K301	K93-E297 VanDerWaalsContact CE-OE1 3.31Å; K93-E297 WeakPolarHBondContact CE-OE1 3.41Å; K93-E297 IonicContact NZ-OE1 3.16Å; K93-E297 PolarHBondContact NZ-OE1 2.94Å; E297-K301 IonicContact OE2-NZ 2.67Å
298	E	30.7	Very low	42.3	Very low	117 Å²	117	125.7 Å²	125.7	55%	0.547	67%	0.67	S	S	.	*	S	Bend	trans	-89.3	-32.5	-177.2	-77.2	-137.8	169.9	0	0	115.2	K301 K302	E298-K301 PolarHBondContact O-N 3.34Å; E298-K302 IonicContact OE2-NZ 2.74Å; E298-K302 PolarHBondContact OE2-NZ 3.17Å
299	E	30	Very low	39.8	Very low	169 Å²	169	130.6 Å²	130.6	79%	0.79	69%	0.692	S	S	*	*	H	α-helix	trans	-67.1	-45.5	-174.9	-65.8	-158.9	137.1	0	0	112.3	K301 K302	E299-K301 PolarHBondContact O-N 2.77Å; E299-K302 PolarHBondContact O-N 2.66Å
300	E	33.4	Very low	37.7	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	71%	0.71	S	S	*	*	H	α-helix	trans	-61.6	-17.3	-179.6	-68.9	-159.2	139.4	0	0	114.6
301	K	33.1	Very low	35.3	Very low	144 Å²	144	133.3 Å²	133.3	63%	0.626	73%	0.728	S	S	*	*	H	α-helix	trans	-96.8	-18.3	-176.7	-74	170.8	-174.1	150.4	0	114	E297 E298 E299	E297-K301 IonicContact OE2-NZ 2.67Å; E298-K301 PolarHBondContact O-N 3.34Å; E299-K301 PolarHBondContact O-N 2.77Å
302	K	30.1	Very low	33.1	Very low	146 Å²	146	132.5 Å²	132.5	64%	0.635	74%	0.738	S	S	*	*	H	α-helix	trans	-80.1	-30.8	-178.4	-81.4	164.6	175.1	157.4	0	113.1	E298 E299 K304	E298-K302 IonicContact OE2-NZ 2.74Å; E298-K302 PolarHBondContact OE2-NZ 3.17Å; E299-K302 PolarHBondContact O-N 2.66Å; K302-K304 PolarHBondContact O-N 3.15Å
303	D	33.7	Very low	31.3	Very low	160 Å²	160	134.5 Å²	134.5	86%	0.856	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	4.8	-177.7	-99.5	4.6	0	0	0	116.4
304	K	35.2	Very low	30	Very low	185 Å²	185	137.9 Å²	137.9	80%	0.804	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	7.4	-174.6	-77.5	-177.7	179.3	168.3	0	117.1	K302	K302-K304 PolarHBondContact O-N 3.15Å
305	K	32.2	Very low	29.1	Very low	200 Å²	200	139.1 Å²	139.1	87%	0.87	76%	0.755	S	S	*	*	S	Bend	trans	-142.5	102	172	-73.9	-169.6	175.8	-179.2	0	113.1
306	G	27.3	Very low	28.7	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	76%	0.762	S	S	*	*			trans	172.7	47.7	175.4	0	0	0	0	0	117.8
307	K	28.5	Very low	28.1	Very low	207 Å²	207	147 Å²	147	90%	0.9	77%	0.771	S	S	*	*			trans	-143.8	90.5	169.9	-86.6	-163.3	172.6	-179.7	0	114.3
308	Q	26.1	Very low	27.6	Very low	186 Å²	186	148 Å²	148	87%	0.869	78%	0.784	S	S	*	*			trans	161.1	140.7	155.7	-94.4	173.1	14.2	0	0	105.7
309	Q	26.8	Very low	27.3	Very low	180 Å²	180	153.7 Å²	153.7	84%	0.841	80%	0.8	S	S	*	*			cis	-137.5	158	15.9	-116.3	166.4	-5.1	0	0	111.3
310	D	24.7	Very low	27	Very low	175 Å²	175	149.5 Å²	149.5	94%	0.936	80%	0.795	S	S	*	*			trans	-92.8	153.9	176.2	-73.4	-65.7	0	0	0	113.4
311	G	23.9	Very low	26.6	Very low	78 Å²	78	150.5 Å²	150.5	80%	0.804	80%	0.796	S	S	*	*			trans	141.9	124.4	168.1	0	0	0	0	0	113.1
312	A	24.7	Very low	26.3	Very low	103 Å²	103	151.5 Å²	151.5	85%	0.851	80%	0.8	S	S	*	*			cis	-155.3	-174.1	0.3	0	0	0	0	0	112.3
313	M	24.1	Very low	26	Very low	173 Å²	173	150.7 Å²	150.7	85%	0.852	80%	0.799	S	S	*	*			trans	-54.1	166.8	174.2	-67.1	154.3	131.4	0	0	114
314	D	23.3	Very low	25.6	Very low	131 Å²	131	149.9 Å²	149.9	70%	0.701	80%	0.795	S	S	*	*			cis	-157.4	163.6	16	-142.2	-21.4	0	0	0	116
315	S	21.9	Very low	24.9	Very low	90 Å²	90	144.7 Å²	144.7	63%	0.629	79%	0.794	S	S	*	*			trans	43.9	140.4	144.2	78	0	0	0	0	125.7
316	S	23.5	Very low	24.5	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	80%	0.795	S	S	*	*			trans	95.4	91.6	133.9	74.5	0	0	0	0	123.3
317	Q	23.6	Very low	24.3	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	80%	0.796	S	S	*	*				58.4	102.3	113.1	-79.9	-171.5	-0.1	0	0	123.9
318	T	23.2	Very low	24.2	Very low	117 Å²	117	138.3 Å²	138.3	72%	0.718	80%	0.795	S	S	*	*				80.3	139.5	127.7	17.5	0	0	0	0	125.1
319	R	24.3	Very low	24.2	Very low	238 Å²	238	137.7 Å²	137.7	90%	0.898	79%	0.794	S	S	*	*			trans	72.8	139.8	154.5	-69.2	176.4	174.5	-179.6	-1	118.2
320	A	23.6	Very low	24.1	Very low	81 Å²	81	138 Å²	138	67%	0.669	80%	0.796	S	S	*	*			cis	-172.1	149.9	-13.8	0	0	0	0	0	111.7
321	K	24.7	Very low	24.1	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	80%	0.796	S	S	*	*			trans	66.9	149.3	165.7	-64.7	173.8	178.1	176.5	0	115.5
322	K	26.8	Very low	24	Very low	166 Å²	166	143.3 Å²	143.3	72%	0.722	80%	0.796	S	S	*	*			cis	-155.3	149.2	9.8	-144.3	-164.7	177.4	-156.2	0	112.4
323	Q	23.7	Very low	24.1	Very low	129 Å²	129	144.5 Å²	144.5	60%	0.603	80%	0.795	S	S	*	*			trans	71.2	127.8	152.5	-86.9	-179.6	-101.1	0	0	123.1
324	D	24.6	Very low	24.2	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	80%	0.799	S	S	*	*			trans	69.9	115.1	138.5	-49.4	-18.4	0	0	0	121.8
325	G	22.3	Very low	24.3	Very low	76 Å²	76	147.8 Å²	147.8	78%	0.784	81%	0.806	S	S	*	*			trans	175.2	82.6	171.7	0	0	0	0	0	116.4
326	A	23.2	Very low	24.6	Very low	109 Å²	109	149.6 Å²	149.6	90%	0.901	82%	0.819	S	S	*	*			trans	66.6	165.3	163.7	0	0	0	0	0	119.5
327	V	23.9	Very low	24.8	Very low	134 Å²	134	149.1 Å²	149.1	81%	0.812	82%	0.821	S	S	*	*			trans	-136.6	142.9	-172.5	172.8	0	0	0	0	109.4	M329	V327-M329 HydrophobicContact CG1-CB 4.31Å
328	A	25.4	Very low	24.9	Very low	105 Å²	105	150.2 Å²	150.2	87%	0.868	83%	0.827	S	S	*	*			trans	-131.3	136	155.1	0	0	0	0	0	107.5
329	M	26	Very low	24.9	Very low	174 Å²	174	148.7 Å²	148.7	86%	0.857	83%	0.834	S	S	*	*			trans	-140.6	119.1	-174.2	-173.7	171.6	-179.4	0	0	108.8	V327	V327-M329 HydrophobicContact CG1-CB 4.31Å
330	E	25.1	Very low	24.8	Very low	187 Å²	187	140.9 Å²	140.9	87%	0.874	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.8	138.8	178.2	-62.5	178.3	135.1	0	0	110.2
331	M	24.8	Very low	24.8	Very low	189 Å²	189	146.8 Å²	146.8	93%	0.931	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-94.6	124.2	173.6	-81.9	178.5	142.3	0	0	110.6
332	Q	21.8	Very low	24.9	Very low	175 Å²	175	145.8 Å²	145.8	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-97.4	140.7	164.7	-65.9	-179.6	-9	0	0	109.1	L334	Q332-L334 PolarHBondContact O-N 3.08Å
333	P	25.6	Very low	24.9	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-67.8	129.6	173.9	27.9	-33.4	0	0	0	110.7
334	L	26.6	Very low	25.2	Very low	177 Å²	177	149.8 Å²	149.8	93%	0.927	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-76.2	134.5	-179.2	-80.5	160.3	0	0	0	111.6	Q332	Q332-L334 PolarHBondContact O-N 3.08Å
335	K	26.3	Very low	25.3	Very low	195 Å²	195	154.1 Å²	154.1	85%	0.848	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-86.2	130.4	166.1	-70.5	-174.2	175.6	-174.7	0	110.3
336	S	27.7	Very low	25.6	Very low	128 Å²	128	158.9 Å²	158.9	90%	0.895	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-64.9	146.4	155.8	-51.3	0	0	0	0	109.5
337	A	28	Very low	25.8	Very low	97 Å²	97	163.4 Å²	163.4	80%	0.802	87%	0.87	S	S	*	*			trans	-130.6	125.8	-173.7	0	0	0	0	0	112.3
338	E	25.7	Very low	25.9	Very low	205 Å²	205	166.3 Å²	166.3	96%	0.958	87%	0.872	S	S	*	*			trans	-138.5	143.8	145	-105.4	171.8	178.9	0	0	106.8
339	G	23.7	Very low	25.9	Very low	85 Å²	85	170.3 Å²	170.3	88%	0.876	87%	0.869	S	S	*	*			trans	-108.9	157	-157.6	0	0	0	0	0	115.2
340	G	22.4	Very low	25.8	Very low	74 Å²	74	166.5 Å²	166.5	76%	0.763	87%	0.866	S	S	*	*			trans	-178.9	72.8	179.2	0	0	0	0	0	114.5
341	E	23.7	Very low	25.8	Very low	205 Å²	205	165 Å²	165	96%	0.958	86%	0.864	S	S	*	*			trans	58.6	-178.4	161.5	-55	-165.7	149.6	0	0	117.8
342	M	25.9	Very low	25.9	Very low	181 Å²	181	163 Å²	163	89%	0.892	86%	0.856	S	S	*	*			trans	-146.5	105.8	-152.5	179.1	175.8	172.3	0	0	112.4
343	E	26.9	Very low	26.1	Very low	184 Å²	184	160.4 Å²	160.4	86%	0.86	85%	0.854	S	S	*	*			trans	-115.3	144.7	165.9	-74.9	-165	138	0	0	111.2	R345	E343-R345 PolarHBondContact O-N 3.35Å
344	E	29	Very low	26.3	Very low	195 Å²	195	162.1 Å²	162.1	91%	0.911	85%	0.848	S	S	*	*			trans	-73.4	119.8	177.3	-63	-169.8	118.5	0	0	110.9
345	R	28	Very low	26.8	Very low	233 Å²	233	163.3 Å²	163.3	88%	0.879	85%	0.846	S	S	*	*			trans	-108.6	130.3	166.7	-80.9	-171.9	172.1	-176.3	-0.8	111.4	E343	E343-R345 PolarHBondContact O-N 3.35Å
346	E	28.6	Very low	27.7	Very low	176 Å²	176	162.6 Å²	162.6	82%	0.822	85%	0.845	S	S	*	*			trans	-56.2	142.8	177.2	-58.4	-178.6	118.3	0	0	112.1	K348	E346-K348 VanDerWaalsContact C-N 3.29Å; E346-K348 PolarHBondContact O-N 3.43Å
347	K	26.3	Very low	29	Very low	204 Å²	204	161.5 Å²	161.5	89%	0.887	83%	0.825	S	S	*	*			trans	-73.1	81.4	173.1	-70.8	-177.8	178.2	177.2	0	110.8	K349	K347-K349 PolarHBondContact O-N 3.23Å
348	K	26.6	Very low	30.9	Very low	195 Å²	195	157.6 Å²	157.6	85%	0.848	79%	0.791	S	S	*	*			trans	-58.5	104.3	158.7	-77	-168.1	175.7	-175.8	0	108.4	E346 A350	E346-K348 VanDerWaalsContact C-N 3.29Å; E346-K348 PolarHBondContact O-N 3.43Å; K348-A350 PolarHBondContact O-N 3.09Å
349	K	25.4	Very low	33.1	Very low	189 Å²	189	149.6 Å²	149.6	82%	0.822	76%	0.757	S	S	*	*			trans	-58.5	134.3	165.8	-72.6	-176.4	175.3	-177.7	0	107.8	K347 N351	K347-K349 PolarHBondContact O-N 3.23Å; K349-N351 PolarHBondContact O-N 3.38Å; K349-N351 VanDerWaalsContact O-N 3.08Å
350	A	24.4	Very low	35.6	Very low	95 Å²	95	145.7 Å²	145.7	79%	0.785	72%	0.715	S	S	*	*			trans	-63.8	111.9	169.4	0	0	0	0	0	108.4	K348 I352	K348-A350 PolarHBondContact O-N 3.09Å; A350-I352 PolarHBondContact O-N 3.15Å; A350-I352 VanDerWaalsContact O-N 3.08Å
351	N	23.8	Very low	38	Very low	155 Å²	155	145.8 Å²	145.8	83%	0.829	70%	0.696	S	S	*	*			trans	-68.9	105.1	168.7	-90.9	-9.2	0	0	0	107.7	K349	K349-N351 PolarHBondContact O-N 3.38Å; K349-N351 VanDerWaalsContact O-N 3.08Å
352	I	26.7	Very low	40.4	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	66%	0.663	S	S	*	*			trans	-54.8	128.8	160.5	-58.9	172.2	0	0	0	106.3	A350 K354	A350-I352 PolarHBondContact O-N 3.15Å; A350-I352 VanDerWaalsContact O-N 3.08Å; I352-K354 PolarHBondContact O-N 2.88Å
353	P	26.8	Very low	43	Very low	120 Å²	120	131.3 Å²	131.3	78%	0.779	63%	0.632	S	S	*	*			trans	-60.1	112.4	179	23.3	-32.5	0	0	0	109.4
354	K	30.7	Very low	45.4	Very low	164 Å²	164	122.8 Å²	122.8	71%	0.713	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-58	142.7	170	-70.6	-177.7	177.4	-179	0	107.6	I352 E356 D1091	I352-K354 PolarHBondContact O-N 2.88Å; K354-E356 PolarHBondContact O-N 2.95Å; K354-E356 VanDerWaalsContact O-N 3.13Å; K354-D1091 IonicContact NZ-OD2 2.87Å; K354-D1091 PolarHBondContact NZ-OD2 3.03Å; K354-D1091 VanDerWaalsContact NZ-OD2 3.17Å
355	K	37.4	Very low	47.6	Very low	201 Å²	201	115.6 Å²	115.6	87%	0.874	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-61.7	117.2	166	-78.8	-174.8	171.8	-175.9	0	108.5
356	E	44.2	Very low	50	Low	180 Å²	180	109.8 Å²	109.8	84%	0.841	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-59	135.4	171.4	-63.1	-177.6	-178.8	0	0	109	K354	K354-E356 PolarHBondContact O-N 2.95Å; K354-E356 VanDerWaalsContact O-N 3.13Å
357	K	53.9	Low	52.4	Low	106 Å²	106	102.6 Å²	102.6	46%	0.461	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-80.1	143	175.5	-68	177.9	179.1	177	0	107.9	E1094	K357-E1094 IonicContact NZ-OE2 2.76Å; K357-E1094 PolarHBondContact NZ-OE2 2.93Å
358	S	69.3	Low	54.8	Low	14 Å²	14	94.2 Å²	94.2	10%	0.098	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-65.7	152	-178.6	-155.4	0	0	0	0	112.1	L360 Q361 G362 D459 E462	S358-L360 PolarHBondContact O-N 2.76Å; S358-Q361 WeakPolarHBondContact O-CA 3.23Å; S358-Q361 WeakPolarHBondContact O-CB 3.35Å; S358-Q361 PolarHBondContact O-N 3.38Å; S358-G362 PolarHBondContact O-N 3.23Å; S358-D459 WeakPolarHBondContact OG-CB 3.34Å; S358-E462 PolarHBondContact OG-OE2 3.17Å
359	V	72.6	Confident	57.2	Low	38 Å²	38	88 Å²	88	23%	0.23	46%	0.457	C	S	.	.	H	α-helix	trans	-61.6	-43.6	-168.1	-179.9	0	0	0	0	111.7	Q361 G362 K363 R916	V359-Q361 VanDerWaalsContact C-N 3.35Å; V359-G362 PolarHBondContact O-N 3.49Å; V359-K363 PolarHBondContact O-N 3.33Å; V359-R916 HydrophobicContact CG1-CG 4.08Å
360	L	75.8	Confident	59.8	Low	2 Å²	2	84.5 Å²	84.5	1%	0.01	44%	0.443	C	S	.	.	H	α-helix	trans	-67.8	-34.3	175.2	-174.5	55.1	0	0	0	112.3	S358 K363 L364 E462 Y846 I849 L920	S358-L360 PolarHBondContact O-N 2.76Å; L360-K363 PolarHBondContact O-N 3.32Å; L360-L364 HydrophobicContact CD1-CD1 4.18Å; L360-L364 HydrophobicContact CD1-CG 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.12Å; L360-E462 HydrophobicContact CB-CG 4.37Å; L360-E462 WeakPolarHBondContact CB-OE1 3.39Å; L360-E462 WeakPolarHBondContact CB-OE2 3.36Å; L360-E462 PolarHBondContact N-OE1 3.08Å; L360-Y846 HydrophobicContact CD1-CD2 4.41Å; L360-Y846 HydrophobicContact CD1-CE2 4.34Å; L360-Y846 HydrophobicContact CD2-CD2 4.24Å; L360-I849 HydrophobicContact CD2-CB 4.27Å; L360-I849 HydrophobicContact CD2-CD1 3.48Å; L360-I849 VanDerWaalsContact CD2-CD1 3.48Å; L360-I849 HydrophobicContact CD2-CG1 4.47Å; L360-I849 HydrophobicContact CD2-CG2 4.07Å; L360-L920 HydrophobicContact CD1-CD1 3.48Å; L360-L920 VanDerWaalsContact CD1-CD1 3.48Å; L360-L920 HydrophobicContact CD1-CD2 3.71Å; L360-L920 HydrophobicContact CD1-CG 4.22Å
361	Q	72	Confident	62.6	Low	76 Å²	76	81.4 Å²	81.4	36%	0.355	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.2	-170.2	-177.1	3.2	0	0	111.3	S358 V359 L364 T365	S358-Q361 WeakPolarHBondContact O-CA 3.23Å; S358-Q361 WeakPolarHBondContact O-CB 3.35Å; S358-Q361 PolarHBondContact O-N 3.38Å; V359-Q361 VanDerWaalsContact C-N 3.35Å; Q361-L364 PolarHBondContact O-N 2.86Å; Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.91Å; Q361-T365 PolarHBondContact O-OG1 2.96Å
362	G	73.3	Confident	65.2	Low	25 Å²	25	74.9 Å²	74.9	26%	0.258	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-49.5	172.4	0	0	0	0	0	112.4	S358 V359 L364 T365 K366	S358-G362 PolarHBondContact O-N 3.23Å; V359-G362 PolarHBondContact O-N 3.49Å; G362-L364 PolarHBondContact O-N 3.3Å; G362-T365 PolarHBondContact O-N 2.85Å; G362-K366 PolarHBondContact O-N 2.83Å
363	K	81	Confident	67.8	Low	58 Å²	58	74.6 Å²	74.6	25%	0.252	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-43.2	176.2	-72	-178.7	179.2	-178.3	0	113	V359 L360 K366 L367 R916 K918	V359-K363 PolarHBondContact O-N 3.33Å; L360-K363 PolarHBondContact O-N 3.32Å; K363-K366 PolarHBondContact O-N 2.91Å; K363-L367 WeakPolarHBondContact O-CB 3.5Å; K363-L367 PolarHBondContact O-N 2.88Å; K363-R916 WeakPolarHBondContact CE-O 3.34Å; K363-R916 PolarHBondContact NZ-O 3.25Å; K363-K918 PolarHBondContact NZ-O 3.23Å
364	L	77.7	Confident	70.5	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-36.3	178.8	-80.9	167.6	0	0	0	112.6	L360 Q361 G362 L367 A368 L433 V437 I849 L853 L920	L360-L364 HydrophobicContact CD1-CD1 4.18Å; L360-L364 HydrophobicContact CD1-CG 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.12Å; Q361-L364 PolarHBondContact O-N 2.86Å; G362-L364 PolarHBondContact O-N 3.3Å; L364-L367 HydrophobicContact CD2-CD2 4.4Å; L364-L367 PolarHBondContact O-N 2.91Å; L364-A368 WeakPolarHBondContact O-CB 3.41Å; L364-A368 PolarHBondContact O-N 3.5Å; L364-L433 HydrophobicContact CD2-CB 4.47Å; L364-L433 HydrophobicContact CD2-CD1 4.32Å; L364-V437 HydrophobicContact CD1-CG2 3.14Å; L364-I849 HydrophobicContact CD1-CG2 4.02Å; L364-L853 HydrophobicContact CD2-CD1 4Å; L364-L853 HydrophobicContact CD2-CD2 3.79Å; L364-L853 HydrophobicContact CD2-CG 4.37Å; L364-L920 HydrophobicContact CD2-CD2 3.64Å; L364-L920 HydrophobicContact CG-CD2 3.8Å
365	T	75.6	Confident	73.1	Confident	43 Å²	43	64 Å²	64	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-45.6	173.6	-52.6	0	0	0	0	110.2	Q361 G362 L367 A368 V369 I1090	Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.91Å; Q361-T365 PolarHBondContact O-OG1 2.96Å; G362-T365 PolarHBondContact O-N 2.85Å; T365-L367 PolarHBondContact O-N 3.02Å; T365-A368 PolarHBondContact O-N 3.21Å; T365-V369 WeakPolarHBondContact O-CG2 3.42Å; T365-V369 PolarHBondContact O-N 2.85Å; T365-I1090 HydrophobicContact CG2-CG2 4.4Å
366	K	78.7	Confident	75.4	Confident	112 Å²	112	59.3 Å²	59.3	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-40.8	175.9	-167.3	161.6	-174.4	161.8	0	112.2	G362 K363 Q370	G362-K366 PolarHBondContact O-N 2.83Å; K363-K366 PolarHBondContact O-N 2.91Å; K366-Q370 WeakPolarHBondContact O-CG 3.44Å; K366-Q370 PolarHBondContact O-N 3.24Å; K366-Q370 VanDerWaalsContact O-N 3.14Å
367	L	79.1	Confident	77.5	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-46.6	176	-177.4	64.3	0	0	0	112.4	K363 L364 T365 V369 Q370 I371 L853 I921	K363-L367 WeakPolarHBondContact O-CB 3.5Å; K363-L367 PolarHBondContact O-N 2.88Å; L364-L367 HydrophobicContact CD2-CD2 4.4Å; L364-L367 PolarHBondContact O-N 2.91Å; T365-L367 PolarHBondContact O-N 3.02Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.47Å; L367-Q370 PolarHBondContact O-N 3.32Å; L367-I371 HydrophobicContact CD1-CD1 4.02Å; L367-I371 HydrophobicContact CD1-CG1 4.37Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.8Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 2.9Å; L367-L853 HydrophobicContact CD2-CD2 4.13Å; L367-I921 HydrophobicContact CD1-CD1 4.13Å; L367-I921 HydrophobicContact CD2-CD1 4.42Å
368	A	76.8	Confident	79.1	Confident	28 Å²	28	52.4 Å²	52.4	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-42.5	178.7	0	0	0	0	0	111.7	L364 T365 I371 G372 L433	L364-A368 WeakPolarHBondContact O-CB 3.41Å; L364-A368 PolarHBondContact O-N 3.5Å; T365-A368 PolarHBondContact O-N 3.21Å; A368-I371 PolarHBondContact O-N 3.15Å; A368-G372 PolarHBondContact O-N 3.3Å; A368-L433 HydrophobicContact CB-CD1 4.23Å
369	V	76.9	Confident	79.9	Confident	63 Å²	63	52.3 Å²	52.3	38%	0.382	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-38.7	175.9	171.2	0	0	0	0	112	T365 L367 K373	T365-V369 WeakPolarHBondContact O-CG2 3.42Å; T365-V369 PolarHBondContact O-N 2.85Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.47Å; V369-K373 HydrophobicContact CG1-CD 4.32Å; V369-K373 WeakPolarHBondContact O-CB 3.36Å; V369-K373 WeakPolarHBondContact O-CG 3.45Å; V369-K373 PolarHBondContact O-N 2.78Å
370	Q	80.2	Confident	80.7	Confident	116 Å²	116	52.6 Å²	52.6	54%	0.542	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-45.3	174.8	-75.6	175.9	-20.4	0	0	111.9	K366 L367 K373 A374	K366-Q370 WeakPolarHBondContact O-CG 3.44Å; K366-Q370 PolarHBondContact O-N 3.24Å; K366-Q370 VanDerWaalsContact O-N 3.14Å; L367-Q370 PolarHBondContact O-N 3.32Å; Q370-K373 PolarHBondContact O-N 2.99Å; Q370-A374 PolarHBondContact O-N 3.29Å; Q370-A374 VanDerWaalsContact O-N 3.1Å
371	I	81.7	Confident	81.4	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.6	-67.5	167.9	0	0	0	110.7	L367 A368 K373 A374 G375 A428 P430 L857	L367-I371 HydrophobicContact CD1-CD1 4.02Å; L367-I371 HydrophobicContact CD1-CG1 4.37Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.8Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 2.9Å; A368-I371 PolarHBondContact O-N 3.15Å; I371-K373 PolarHBondContact O-N 3.15Å; I371-A374 PolarHBondContact O-N 2.83Å; I371-A374 VanDerWaalsContact O-N 3.13Å; I371-G375 PolarHBondContact O-N 2.83Å; I371-A428 WeakPolarHBondContact CG2-O 3.49Å; I371-P430 HydrophobicContact CD1-CG 4.33Å; I371-P430 HydrophobicContact CG2-CG 4.24Å; I371-L857 HydrophobicContact CD1-CD2 3.55Å
372	G	78.7	Confident	82.1	Confident	18 Å²	18	52.1 Å²	52.1	19%	0.186	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-38.5	177.9	0	0	0	0	0	113.5	A368 G375 L376	A368-G372 PolarHBondContact O-N 3.3Å; G372-G375 PolarHBondContact O-N 2.97Å; G372-L376 WeakPolarHBondContact O-CB 3.32Å; G372-L376 PolarHBondContact O-N 3.26Å
373	K	81.3	Confident	82.9	Confident	142 Å²	142	52.5 Å²	52.5	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-61.6	-43.2	171.7	-76.2	176.5	179.5	-177.8	0	111.7	V369 Q370 I371 V377	V369-K373 HydrophobicContact CG1-CD 4.32Å; V369-K373 WeakPolarHBondContact O-CB 3.36Å; V369-K373 WeakPolarHBondContact O-CG 3.45Å; V369-K373 PolarHBondContact O-N 2.78Å; Q370-K373 PolarHBondContact O-N 2.99Å; I371-K373 PolarHBondContact O-N 3.15Å; K373-V377 WeakPolarHBondContact O-CG2 3.42Å; K373-V377 PolarHBondContact O-N 3.09Å
374	A	84.2	Confident	83.4	Confident	57 Å²	57	54.8 Å²	54.8	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-42.7	177	0	0	0	0	0	112.5	Q370 I371 L376 V377 M378	Q370-A374 PolarHBondContact O-N 3.29Å; Q370-A374 VanDerWaalsContact O-N 3.1Å; I371-A374 PolarHBondContact O-N 2.83Å; I371-A374 VanDerWaalsContact O-N 3.13Å; A374-L376 PolarHBondContact O-N 2.82Å; A374-V377 PolarHBondContact O-N 2.83Å; A374-M378 WeakPolarHBondContact O-CG 3.35Å; A374-M378 PolarHBondContact O-N 3.47Å
375	G	85	Confident	83.9	Confident	4 Å²	4	57.2 Å²	57.2	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-42.6	176.2	0	0	0	0	0	113.1	I371 G372 V377 M378 S379 A428	I371-G375 PolarHBondContact O-N 2.83Å; G372-G375 PolarHBondContact O-N 2.97Å; G375-V377 PolarHBondContact O-N 2.93Å; G375-M378 PolarHBondContact O-N 2.89Å; G375-S379 WeakPolarHBondContact O-CB 3.25Å; G375-S379 PolarHBondContact O-N 2.86Å; G375-A428 VanDerWaalsContact CA-CB 3.48Å
376	L	85	Confident	84.5	Confident	102 Å²	102	55.4 Å²	55.4	53%	0.534	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.2	-176	63.2	0	0	0	112.4	G372 A374 A380 L425	G372-L376 WeakPolarHBondContact O-CB 3.32Å; G372-L376 PolarHBondContact O-N 3.26Å; A374-L376 PolarHBondContact O-N 2.82Å; L376-A380 WeakPolarHBondContact O-CB 3.39Å; L376-A380 PolarHBondContact O-N 2.94Å; L376-L425 HydrophobicContact CB-CD1 4.24Å; L376-L425 HydrophobicContact CD1-CD1 4.4Å; L376-L425 HydrophobicContact CD1-CD2 4.26Å
377	V	88.4	Confident	85	Confident	86 Å²	86	52.4 Å²	52.4	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-47.1	175.9	171	0	0	0	0	111	K373 A374 G375 S379 A380 I381	K373-V377 WeakPolarHBondContact O-CG2 3.42Å; K373-V377 PolarHBondContact O-N 3.09Å; A374-V377 PolarHBondContact O-N 2.83Å; G375-V377 PolarHBondContact O-N 2.93Å; V377-S379 PolarHBondContact O-N 2.95Å; V377-A380 PolarHBondContact O-N 2.89Å; V377-I381 HydrophobicContact CG1-CD1 3.69Å; V377-I381 HydrophobicContact CG1-CG1 4.45Å; V377-I381 VanDerWaalsContact O-CG1 3.25Å; V377-I381 WeakPolarHBondContact O-CG1 3.32Å; V377-I381 PolarHBondContact O-N 2.83Å
378	M	87	Confident	85.5	Confident	56 Å²	56	56 Å²	56	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-42.7	177.7	-71.9	-59.1	-61.3	0	0	112.4	A374 G375 I381 T382 V864 F868	A374-M378 WeakPolarHBondContact O-CG 3.35Å; A374-M378 PolarHBondContact O-N 3.47Å; G375-M378 PolarHBondContact O-N 2.89Å; M378-I381 PolarHBondContact O-N 3.18Å; M378-T382 WeakPolarHBondContact O-CB 3.43Å; M378-T382 PolarHBondContact O-N 2.76Å; M378-T382 PolarHBondContact O-OG1 2.74Å; M378-V864 HydrophobicContact CB-CG1 4.35Å; M378-V864 HydrophobicContact CG-CG1 4.45Å; M378-F868 HydrophobicContact CE-CB 4.05Å; M378-F868 HydrophobicContact CE-CD1 3.92Å; M378-F868 HydrophobicContact CE-CD2 3.57Å; M378-F868 HydrophobicContact CE-CE1 4.27Å; M378-F868 HydrophobicContact CE-CE2 3.95Å; M378-F868 HydrophobicContact CE-CG 3.55Å; M378-F868 HydrophobicContact CE-CZ 4.28Å
379	S	86.8	Confident	85.9	Confident	11 Å²	11	59.4 Å²	59.4	8%	0.077	32%	0.323	C	S	.	.	H	α-helix	trans	-57.4	-51.6	174	171.5	0	0	0	0	111.4	G375 V377 I381 T382 V383 G421	G375-S379 WeakPolarHBondContact O-CB 3.25Å; G375-S379 PolarHBondContact O-N 2.86Å; V377-S379 PolarHBondContact O-N 2.95Å; S379-I381 PolarHBondContact O-N 2.82Å; S379-T382 WeakPolarHBondContact O-CB 3.23Å; S379-T382 PolarHBondContact O-N 2.72Å; S379-T382 VanDerWaalsContact O-N 3.16Å; S379-V383 WeakPolarHBondContact O-CG2 3.41Å; S379-V383 PolarHBondContact O-N 3.06Å; S379-G421 WeakPolarHBondContact CB-O 3.43Å; S379-G421 VanDerWaalsContact OG-C 3.3Å; S379-G421 PolarHBondContact OG-O 3.12Å
380	A	88.8	Confident	86.3	Confident	45 Å²	45	57.2 Å²	57.2	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-43	179.2	0	0	0	0	0	112.5	L376 V377 T382 V383 I384	L376-A380 WeakPolarHBondContact O-CB 3.39Å; L376-A380 PolarHBondContact O-N 2.94Å; V377-A380 PolarHBondContact O-N 2.89Å; A380-T382 VanDerWaalsContact C-N 3.34Å; A380-T382 PolarHBondContact O-N 2.61Å; A380-V383 PolarHBondContact O-N 3.03Å; A380-I384 WeakPolarHBondContact O-CB 3.2Å; A380-I384 WeakPolarHBondContact O-CD1 3.16Å; A380-I384 VanDerWaalsContact O-CG1 3.23Å; A380-I384 WeakPolarHBondContact O-CG1 3.35Å; A380-I384 PolarHBondContact O-N 2.75Å
381	I	90.4	Very high	86.6	Confident	68 Å²	68	54.2 Å²	54.2	35%	0.349	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.3	-67.3	167.9	0	0	0	110.6	V377 M378 S379 V383 I384 I385 F868	V377-I381 HydrophobicContact CG1-CD1 3.69Å; V377-I381 HydrophobicContact CG1-CG1 4.45Å; V377-I381 VanDerWaalsContact O-CG1 3.25Å; V377-I381 WeakPolarHBondContact O-CG1 3.32Å; V377-I381 PolarHBondContact O-N 2.83Å; M378-I381 PolarHBondContact O-N 3.18Å; S379-I381 PolarHBondContact O-N 2.82Å; I381-V383 PolarHBondContact O-N 3.38Å; I381-I384 PolarHBondContact O-N 3.36Å; I381-I385 HydrophobicContact CG2-CD1 3.66Å; I381-I385 HydrophobicContact CG2-CG1 4.28Å; I381-I385 WeakPolarHBondContact O-CG1 3.34Å; I381-I385 PolarHBondContact O-N 3.1Å; I381-F868 HydrophobicContact CG2-CE2 4.02Å
382	T	87.9	Confident	86.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-47.8	178.4	-51.7	0	0	0	0	111.4	M378 S379 A380 I385 L386 I420 A871	M378-T382 WeakPolarHBondContact O-CB 3.43Å; M378-T382 PolarHBondContact O-N 2.76Å; M378-T382 PolarHBondContact O-OG1 2.74Å; S379-T382 WeakPolarHBondContact O-CB 3.23Å; S379-T382 PolarHBondContact O-N 2.72Å; S379-T382 VanDerWaalsContact O-N 3.16Å; A380-T382 VanDerWaalsContact C-N 3.34Å; A380-T382 PolarHBondContact O-N 2.61Å; T382-I385 PolarHBondContact O-N 2.86Å; T382-L386 HydrophobicContact CG2-CD1 4.1Å; T382-L386 WeakPolarHBondContact O-CG 3.35Å; T382-L386 PolarHBondContact O-N 3.35Å; T382-I420 HydrophobicContact CG2-CG2 4.38Å; T382-A871 HydrophobicContact CG2-CB 3.68Å
383	V	89.9	Confident	87.1	Confident	32 Å²	32	58.6 Å²	58.6	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-44.3	177.2	179.5	0	0	0	0	111	S379 A380 I381 I385 L386 V387	S379-V383 WeakPolarHBondContact O-CG2 3.41Å; S379-V383 PolarHBondContact O-N 3.06Å; A380-V383 PolarHBondContact O-N 3.03Å; I381-V383 PolarHBondContact O-N 3.38Å; V383-I385 PolarHBondContact O-N 2.95Å; V383-L386 PolarHBondContact O-N 3.23Å; V383-V387 HydrophobicContact CG1-CG2 4.12Å; V383-V387 VanDerWaalsContact O-CB 3.3Å; V383-V387 WeakPolarHBondContact O-CB 3.49Å; V383-V387 WeakPolarHBondContact O-CG2 3.3Å; V383-V387 PolarHBondContact O-N 3.29Å
384	I	90.8	Very high	87.1	Confident	107 Å²	107	52.8 Å²	52.8	55%	0.549	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-43.1	179.2	-69.6	165.8	0	0	0	111	A380 I381 L388	A380-I384 WeakPolarHBondContact O-CB 3.2Å; A380-I384 WeakPolarHBondContact O-CD1 3.16Å; A380-I384 VanDerWaalsContact O-CG1 3.23Å; A380-I384 WeakPolarHBondContact O-CG1 3.35Å; A380-I384 PolarHBondContact O-N 2.75Å; I381-I384 PolarHBondContact O-N 3.36Å; I384-L388 WeakPolarHBondContact O-CB 3.39Å; I384-L388 PolarHBondContact O-N 3.49Å
385	I	89.5	Confident	87.2	Confident	56 Å²	56	52 Å²	52	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-48.2	178.3	-69.3	171.3	0	0	0	110.9	I381 T382 V383 V387 L388 Y389 F868	I381-I385 HydrophobicContact CG2-CD1 3.66Å; I381-I385 HydrophobicContact CG2-CG1 4.28Å; I381-I385 WeakPolarHBondContact O-CG1 3.34Å; I381-I385 PolarHBondContact O-N 3.1Å; T382-I385 PolarHBondContact O-N 2.86Å; V383-I385 PolarHBondContact O-N 2.95Å; I385-V387 PolarHBondContact O-N 2.84Å; I385-L388 PolarHBondContact O-N 3.42Å; I385-Y389 VanDerWaalsContact O-CB 3.29Å; I385-Y389 WeakPolarHBondContact O-CB 3.3Å; I385-Y389 PolarHBondContact O-N 3.01Å; I385-F868 HydrophobicContact CD1-CE2 4.03Å; I385-F868 HydrophobicContact CD1-CZ 4.3Å
386	L	87.3	Confident	87.1	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-47.5	178.4	-74.7	169.3	0	0	0	112.1	T382 V383 F390 F417 I420 A871 Q875	T382-L386 HydrophobicContact CG2-CD1 4.1Å; T382-L386 WeakPolarHBondContact O-CG 3.35Å; T382-L386 PolarHBondContact O-N 3.35Å; V383-L386 PolarHBondContact O-N 3.23Å; L386-F390 WeakPolarHBondContact O-CB 3.48Å; L386-F390 PolarHBondContact O-N 3.34Å; L386-F417 HydrophobicContact CB-CB 3.97Å; L386-F417 HydrophobicContact CB-CD1 3.77Å; L386-F417 HydrophobicContact CB-CD2 4.25Å; L386-F417 HydrophobicContact CB-CE1 4.3Å; L386-F417 HydrophobicContact CB-CG 3.74Å; L386-F417 HydrophobicContact CD1-CB 4.1Å; L386-F417 HydrophobicContact CD1-CD1 3.94Å; L386-F417 HydrophobicContact CD1-CG 4.31Å; L386-F417 HydrophobicContact CD2-CD1 4.05Å; L386-F417 HydrophobicContact CD2-CE1 4.18Å; L386-F417 HydrophobicContact CG-CD1 4.15Å; L386-I420 HydrophobicContact CD1-CB 4.25Å; L386-I420 HydrophobicContact CD1-CD1 4.26Å; L386-I420 HydrophobicContact CD1-CG2 3.98Å; L386-A871 HydrophobicContact CD1-CB 4.13Å; L386-A871 HydrophobicContact CD2-CB 4.08Å; L386-A871 VanDerWaalsContact CD2-O 3.3Å; L386-A871 WeakPolarHBondContact CD2-O 2.84Å; L386-A871 HydrophobicContact CG-CB 4.24Å; L386-Q875 WeakPolarHBondContact CD2-O 3.21Å
387	V	89.5	Confident	87	Confident	49 Å²	49	58.7 Å²	58.7	30%	0.297	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-47.6	176.5	166.3	0	0	0	0	111.3	V383 I385 V391 F414 F417	V383-V387 HydrophobicContact CG1-CG2 4.12Å; V383-V387 VanDerWaalsContact O-CB 3.3Å; V383-V387 WeakPolarHBondContact O-CB 3.49Å; V383-V387 WeakPolarHBondContact O-CG2 3.3Å; V383-V387 PolarHBondContact O-N 3.29Å; I385-V387 PolarHBondContact O-N 2.84Å; V387-V391 WeakPolarHBondContact O-CB 3.43Å; V387-V391 VanDerWaalsContact O-CG2 3.25Å; V387-V391 WeakPolarHBondContact O-CG2 3.32Å; V387-V391 PolarHBondContact O-N 3.28Å; V387-F414 HydrophobicContact CG1-CE1 4.07Å; V387-F414 HydrophobicContact CG2-CD1 4.03Å; V387-F414 HydrophobicContact CG2-CE1 4.28Å; V387-F417 HydrophobicContact CG2-CD2 4.42Å
388	L	89.1	Confident	86.6	Confident	100 Å²	100	59.1 Å²	59.1	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-70.6	-40.1	-176.4	-176.2	148.7	0	0	0	111.8	I384 I385 I392	I384-L388 WeakPolarHBondContact O-CB 3.39Å; I384-L388 PolarHBondContact O-N 3.49Å; I385-L388 PolarHBondContact O-N 3.42Å; L388-I392 HydrophobicContact CD2-CD1 3.57Å; L388-I392 HydrophobicContact CD2-CG1 4.49Å; L388-I392 HydrophobicContact CG-CD1 4.1Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CG1 3.11Å; L388-I392 PolarHBondContact O-N 3.37Å
389	Y	85.6	Confident	86	Confident	100 Å²	100	58.8 Å²	58.8	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-59.4	173	-166	-56.3	0	0	0	109.3	I385 V391 I392 D393 Q875	I385-Y389 VanDerWaalsContact O-CB 3.29Å; I385-Y389 WeakPolarHBondContact O-CB 3.3Å; I385-Y389 PolarHBondContact O-N 3.01Å; Y389-V391 VanDerWaalsContact C-N 3.26Å; Y389-V391 PolarHBondContact O-N 3.48Å; Y389-I392 PolarHBondContact O-N 2.95Å; Y389-I392 VanDerWaalsContact O-N 3.12Å; Y389-D393 HydrophobicContact CD1-CB 4Å; Y389-D393 HydrophobicContact CE1-CB 3.99Å; Y389-D393 WeakPolarHBondContact CE1-OD2 3.23Å; Y389-D393 VanDerWaalsContact O-CB 3.31Å; Y389-D393 WeakPolarHBondContact O-CB 2.76Å; Y389-D393 PolarHBondContact O-N 2.71Å; Y389-Q875 HydrophobicContact CD1-CG 4.33Å; Y389-Q875 VanDerWaalsContact CD1-NE2 3.28Å; Y389-Q875 HydrophobicContact CE1-CG 4.31Å
390	F	84.6	Confident	85.5	Confident	17 Å²	17	63.3 Å²	63.3	8%	0.075	34%	0.342	C	S	.	.	H	α-helix	trans	-55.4	-40	-176.4	176.9	-104	0	0	0	112.9	L386 T394 Y410 Y413 F414 F417	L386-F390 WeakPolarHBondContact O-CB 3.48Å; L386-F390 PolarHBondContact O-N 3.34Å; F390-T394 VanDerWaalsContact O-CB 3.23Å; F390-T394 WeakPolarHBondContact O-CB 3.33Å; F390-T394 PolarHBondContact O-N 2.61Å; F390-T394 PolarHBondContact O-OG1 3.35Å; F390-Y410 HydrophobicContact CE1-CD1 4.48Å; F390-Y410 HydrophobicContact CZ-CD1 4.09Å; F390-Y413 HydrophobicContact CE2-CD1 4.12Å; F390-Y413 HydrophobicContact CE2-CD2 4.25Å; F390-Y413 AromaticContact CE2-CG 3.95Å; F390-Y413 HydrophobicContact CE2-CG 3.95Å; F390-Y413 HydrophobicContact CZ-CD2 4.12Å; F390-Y413 AromaticContact CZ-CG 3.99Å; F390-Y413 HydrophobicContact CZ-CG 3.99Å; F390-F414 HydrophobicContact CD1-CE1 4.14Å; F390-F414 HydrophobicContact CD1-CZ 4.18Å; F390-F414 HydrophobicContact CE1-CZ 4.31Å; F390-F417 HydrophobicContact CB-CE2 3.56Å; F390-F417 HydrophobicContact CB-CZ 3.77Å; F390-F417 HydrophobicContact CD1-CE2 4.01Å; F390-F417 HydrophobicContact CD2-CE2 4.22Å; F390-F417 HydrophobicContact CD2-CZ 4.04Å; F390-F417 AromaticContact CG-CE2 3.67Å; F390-F417 HydrophobicContact CG-CE2 3.67Å; F390-F417 AromaticContact CG-CZ 3.9Å; F390-F417 HydrophobicContact CG-CZ 3.9Å
391	V	87.1	Confident	85	Confident	53 Å²	53	66.5 Å²	66.5	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-70.8	-40.9	179.2	168.3	0	0	0	0	112.4	V387 Y389 F395 F414	V387-V391 WeakPolarHBondContact O-CB 3.43Å; V387-V391 VanDerWaalsContact O-CG2 3.25Å; V387-V391 WeakPolarHBondContact O-CG2 3.32Å; V387-V391 PolarHBondContact O-N 3.28Å; Y389-V391 VanDerWaalsContact C-N 3.26Å; Y389-V391 PolarHBondContact O-N 3.48Å; V391-F395 HydrophobicContact CB-CD2 4.44Å; V391-F395 HydrophobicContact CG1-CD2 4.24Å; V391-F395 HydrophobicContact CG2-CD2 4.5Å; V391-F395 WeakPolarHBondContact O-CB 3.06Å; V391-F395 PolarHBondContact O-N 3.24Å; V391-F395 VanDerWaalsContact O-N 3.12Å; V391-F414 HydrophobicContact CG2-CE1 4.17Å; V391-F414 HydrophobicContact CG2-CZ 3.94Å
392	I	86.9	Confident	84.5	Confident	79 Å²	79	69.1 Å²	69.1	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-46.6	177	-70.4	178.3	0	0	0	110.6	L388 Y389 V396 M397	L388-I392 HydrophobicContact CD2-CD1 3.57Å; L388-I392 HydrophobicContact CD2-CG1 4.49Å; L388-I392 HydrophobicContact CG-CD1 4.1Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CG1 3.11Å; L388-I392 PolarHBondContact O-N 3.37Å; Y389-I392 PolarHBondContact O-N 2.95Å; Y389-I392 VanDerWaalsContact O-N 3.12Å; I392-V396 HydrophobicContact CG2-CB 4.4Å; I392-V396 CarbonylContact O-C 3.57Å; I392-V396 WeakPolarHBondContact O-CA 3.36Å; I392-V396 VanDerWaalsContact O-CB 3.24Å; I392-V396 WeakPolarHBondContact O-CB 3.22Å; I392-V396 PolarHBondContact O-N 2.81Å; I392-M397 HydrophobicContact CG2-CG 4.21Å; I392-M397 PolarHBondContact O-N 2.89Å
393	D	83.2	Confident	84	Confident	62 Å²	62	72 Å²	72	33%	0.332	38%	0.377	S	S	.	.	I	π-helix	trans	-59.4	-57.4	-178.8	-148.8	34.6	0	0	0	110	Y389 M397 D398 Q875	Y389-D393 HydrophobicContact CD1-CB 4Å; Y389-D393 HydrophobicContact CE1-CB 3.99Å; Y389-D393 WeakPolarHBondContact CE1-OD2 3.23Å; Y389-D393 VanDerWaalsContact O-CB 3.31Å; Y389-D393 WeakPolarHBondContact O-CB 2.76Å; Y389-D393 PolarHBondContact O-N 2.71Å; D393-M397 WeakPolarHBondContact O-CB 3.35Å; D393-M397 PolarHBondContact O-N 3.34Å; D393-D398 WeakPolarHBondContact O-CB 3.45Å; D393-D398 PolarHBondContact O-N 2.94Å; D393-Q875 PolarHBondContact OD2-NE2 3.3Å
394	T	82.4	Confident	83.2	Confident	20 Å²	20	75.3 Å²	75.3	12%	0.123	40%	0.399	C	S	.	.	I	π-helix	trans	-70.4	-43.2	-173.9	-46.5	0	0	0	0	114.1	F390 D398 R400	F390-T394 VanDerWaalsContact O-CB 3.23Å; F390-T394 WeakPolarHBondContact O-CB 3.33Å; F390-T394 PolarHBondContact O-N 2.61Å; F390-T394 PolarHBondContact O-OG1 3.35Å; T394-D398 WeakPolarHBondContact O-CB 3.43Å; T394-R400 WeakPolarHBondContact O-CB 3.31Å; T394-R400 PolarHBondContact O-N 2.76Å
395	F	85.1	Confident	82.4	Confident	40 Å²	40	77 Å²	77	18%	0.175	41%	0.405	C	S	.	.	I	π-helix	trans	-106.3	-12.5	-169.3	-56.1	-71.5	0	0	0	114.4	V391 R400 W402 Y410	V391-F395 HydrophobicContact CB-CD2 4.44Å; V391-F395 HydrophobicContact CG1-CD2 4.24Å; V391-F395 HydrophobicContact CG2-CD2 4.5Å; V391-F395 WeakPolarHBondContact O-CB 3.06Å; V391-F395 PolarHBondContact O-N 3.24Å; V391-F395 VanDerWaalsContact O-N 3.12Å; F395-R400 WeakPolarHBondContact CD1-O 3.05Å; F395-W402 HydrophobicContact CE1-CB 4.39Å; F395-W402 HydrophobicContact CE1-CD2 4.4Å; F395-W402 AromaticContact CE1-CE3 3.79Å; F395-W402 HydrophobicContact CE1-CE3 3.79Å; F395-W402 AromaticContact CE2-CE3 3.96Å; F395-W402 HydrophobicContact CE2-CE3 3.96Å; F395-W402 AromaticContact CE2-CZ3 3.91Å; F395-W402 HydrophobicContact CE2-CZ3 3.91Å; F395-W402 HydrophobicContact CZ-CD2 4.29Å; F395-W402 AromaticContact CZ-CE3 3.44Å; F395-W402 HydrophobicContact CZ-CE3 3.44Å; F395-W402 VanDerWaalsContact CZ-CE3 3.44Å; F395-W402 AromaticContact CZ-CZ3 3.72Å; F395-W402 HydrophobicContact CZ-CZ3 3.72Å; F395-Y410 HydrophobicContact CE1-CE2 4.1Å; F395-Y410 HydrophobicContact CZ-CD1 4.35Å; F395-Y410 HydrophobicContact CZ-CD2 4.08Å; F395-Y410 HydrophobicContact CZ-CE1 4.27Å; F395-Y410 HydrophobicContact CZ-CE2 4Å; F395-Y410 HydrophobicContact CZ-CG 4.27Å
396	V	84.4	Confident	81.5	Confident	104 Å²	104	74.6 Å²	74.6	63%	0.63	39%	0.392	S	S	*	.	I	π-helix	trans	-117	-41.2	-178.8	-170.4	0	0	0	0	112.4	I392	I392-V396 HydrophobicContact CG2-CB 4.4Å; I392-V396 CarbonylContact O-C 3.57Å; I392-V396 WeakPolarHBondContact O-CA 3.36Å; I392-V396 VanDerWaalsContact O-CB 3.24Å; I392-V396 WeakPolarHBondContact O-CB 3.22Å; I392-V396 PolarHBondContact O-N 2.81Å
397	M	81.9	Confident	81.1	Confident	143 Å²	143	76.4 Å²	76.4	70%	0.704	40%	0.404	S	S	*	.	I	π-helix	trans	-85	-54.8	177.9	-62.5	-64.6	-65.5	0	0	111.6	I392 D393 G399	I392-M397 HydrophobicContact CG2-CG 4.21Å; I392-M397 PolarHBondContact O-N 2.89Å; D393-M397 WeakPolarHBondContact O-CB 3.35Å; D393-M397 PolarHBondContact O-N 3.34Å; M397-G399 PolarHBondContact O-N 3.38Å
398	D	80.1	Confident	80.3	Confident	95 Å²	95	75.6 Å²	75.6	51%	0.508	40%	0.4	S	S	.	.	S	Bend	trans	-70.2	-18.6	173.7	-107.9	29.4	0	0	0	112.7	D393 T394 R400	D393-D398 WeakPolarHBondContact O-CB 3.45Å; D393-D398 PolarHBondContact O-N 2.94Å; T394-D398 WeakPolarHBondContact O-CB 3.43Å; D398-R400 VanDerWaalsContact C-N 3.26Å; D398-R400 HydrophobicContact CB-CG 4.18Å; D398-R400 PolarHBondContact O-N 2.95Å; D398-R400 IonicContact OD2-CZ 3.22Å; D398-R400 VanDerWaalsContact OD2-CZ 3.22Å; D398-R400 IonicContact OD2-NE 2.81Å; D398-R400 PolarHBondContact OD2-NE 3.19Å; D398-R400 IonicContact OD2-NH2 2.78Å; D398-R400 PolarHBondContact OD2-NH2 3.08Å
399	G	75.6	Confident	79.7	Confident	50 Å²	50	73.5 Å²	73.5	52%	0.515	39%	0.388	S	S	.	.			trans	65.3	19.5	177	0	0	0	0	0	115.4	M397	M397-G399 PolarHBondContact O-N 3.38Å
400	R	75.4	Confident	79.5	Confident	106 Å²	106	69.8 Å²	69.8	40%	0.4	37%	0.374	S	S	.	.			trans	-64.9	144.2	-178.5	-62.7	179.3	-163.9	-134.2	4.7	111.1	T394 F395 D398	T394-R400 WeakPolarHBondContact O-CB 3.31Å; T394-R400 PolarHBondContact O-N 2.76Å; F395-R400 WeakPolarHBondContact CD1-O 3.05Å; D398-R400 VanDerWaalsContact C-N 3.26Å; D398-R400 HydrophobicContact CB-CG 4.18Å; D398-R400 PolarHBondContact O-N 2.95Å; D398-R400 IonicContact OD2-CZ 3.22Å; D398-R400 VanDerWaalsContact OD2-CZ 3.22Å; D398-R400 IonicContact OD2-NE 2.81Å; D398-R400 PolarHBondContact OD2-NE 3.19Å; D398-R400 IonicContact OD2-NH2 2.78Å; D398-R400 PolarHBondContact OD2-NH2 3.08Å
401	V	77.1	Confident	79.3	Confident	112 Å²	112	71.8 Å²	71.8	68%	0.679	39%	0.387	S	S	*	.			trans	-89.1	139.5	175.2	-177	0	0	0	0	109.6	L403	V401-L403 PolarHBondContact O-N 3.3Å
402	W	80.4	Confident	78.7	Confident	122 Å²	122	71 Å²	71	46%	0.462	38%	0.38	S	S	.	.			trans	-69.9	95.9	175.3	-167	-59.7	0	0	0	110.9	F395 T407 Y410 F414	F395-W402 HydrophobicContact CE1-CB 4.39Å; F395-W402 HydrophobicContact CE1-CD2 4.4Å; F395-W402 AromaticContact CE1-CE3 3.79Å; F395-W402 HydrophobicContact CE1-CE3 3.79Å; F395-W402 AromaticContact CE2-CE3 3.96Å; F395-W402 HydrophobicContact CE2-CE3 3.96Å; F395-W402 AromaticContact CE2-CZ3 3.91Å; F395-W402 HydrophobicContact CE2-CZ3 3.91Å; F395-W402 HydrophobicContact CZ-CD2 4.29Å; F395-W402 AromaticContact CZ-CE3 3.44Å; F395-W402 HydrophobicContact CZ-CE3 3.44Å; F395-W402 VanDerWaalsContact CZ-CE3 3.44Å; F395-W402 AromaticContact CZ-CZ3 3.72Å; F395-W402 HydrophobicContact CZ-CZ3 3.72Å; W402-T407 HydrophobicContact CZ2-CG2 4.2Å; W402-T407 PolarHBondContact NE1-OG1 2.87Å; W402-Y410 HydrophobicContact CD2-CD2 4.2Å; W402-Y410 HydrophobicContact CD2-CE2 4.47Å; W402-Y410 AromaticContact CE2-CD2 3.97Å; W402-Y410 HydrophobicContact CE3-CD2 4.46Å; W402-Y410 HydrophobicContact CH2-CD2 4.39Å; W402-Y410 HydrophobicContact CZ2-CD2 4.09Å; W402-F414 HydrophobicContact CH2-CE2 4.16Å
403	L	78.2	Confident	78.3	Confident	62 Å²	62	69.1 Å²	69.1	33%	0.325	37%	0.368	S	S	.	.			trans	-78.5	132.9	172.1	-68.7	171	0	0	0	110.6	A136 V401 E405 C406 T407	A136-L403 HydrophobicContact CB-CD1 4.44Å; V401-L403 PolarHBondContact O-N 3.3Å; L403-E405 VanDerWaalsContact C-N 3.25Å; L403-E405 PolarHBondContact O-N 3.43Å; L403-C406 PolarHBondContact O-N 2.88Å; L403-T407 PolarHBondContact O-OG1 3.02Å
404	P	73.8	Confident	78.3	Confident	101 Å²	101	68.9 Å²	68.9	66%	0.656	36%	0.364	S	S	*	.	S	Bend	trans	-56.1	-38.9	176.9	-27.2	35.8	0	0	0	113.2	T407	P404-T407 WeakPolarHBondContact O-CB 3.34Å; P404-T407 PolarHBondContact O-N 3.42Å; P404-T407 PolarHBondContact O-OG1 2.87Å
405	E	72.8	Confident	78.2	Confident	143 Å²	143	69 Å²	69	67%	0.668	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-42.1	-178.1	-72.3	138.5	-153.6	0	0	113.1	L403 T407 P408	L403-E405 VanDerWaalsContact C-N 3.25Å; L403-E405 PolarHBondContact O-N 3.43Å; E405-T407 PolarHBondContact O-N 2.9Å; E405-P408 WeakPolarHBondContact O-CD 3.36Å
406	C	71.4	Confident	77.8	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.027	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.9	178.4	-35.9	0	0	0	0	113.5	C137 L403 P408 I409 Y410	C137-C406 HydrophobicContact CB-CB 4.1Å; C137-C406 WeakPolarHBondContact CB-SG 3.48Å; C137-C406 WeakPolarHBondContact SG-CB 3.43Å; C137-C406 CovalentContact SG-SG 2.05Å; C137-C406 PolarHBondContact SG-SG 2.96Å; L403-C406 PolarHBondContact O-N 2.88Å; C406-P408 VanDerWaalsContact C-CD 3.4Å; C406-I409 WeakPolarHBondContact O-CB 3.49Å; C406-I409 PolarHBondContact O-N 3.1Å; C406-I409 VanDerWaalsContact O-N 3.15Å; C406-Y410 HydrophobicContact CB-CE2 3.99Å; C406-Y410 PolarHBondContact O-N 2.85Å
407	T	78.2	Confident	77.8	Confident	42 Å²	42	64 Å²	64	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-53.5	-40.4	-176.9	-59.7	0	0	0	0	114.8	W402 L403 P404 E405 I409 Y410 V411	W402-T407 HydrophobicContact CZ2-CG2 4.2Å; W402-T407 PolarHBondContact NE1-OG1 2.87Å; L403-T407 PolarHBondContact O-OG1 3.02Å; P404-T407 WeakPolarHBondContact O-CB 3.34Å; P404-T407 PolarHBondContact O-N 3.42Å; P404-T407 PolarHBondContact O-OG1 2.87Å; E405-T407 PolarHBondContact O-N 2.9Å; T407-I409 VanDerWaalsContact C-N 3.27Å; T407-I409 PolarHBondContact O-N 2.83Å; T407-Y410 PolarHBondContact O-N 2.92Å; T407-V411 HydrophobicContact CG2-CG2 4.25Å; T407-V411 WeakPolarHBondContact O-CG2 3.34Å; T407-V411 PolarHBondContact O-N 3.13Å
408	P	73.6	Confident	77.9	Confident	33 Å²	33	62 Å²	62	21%	0.214	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-36.8	179	-24.5	35.6	0	0	0	113.1	Y127 E405 C406 V411 Q412	Y127-P408 HydrophobicContact CD1-CB 4.17Å; Y127-P408 HydrophobicContact CD1-CG 4.37Å; Y127-P408 HydrophobicContact CE1-CB 4.16Å; Y127-P408 HydrophobicContact CE1-CG 3.86Å; E405-P408 WeakPolarHBondContact O-CD 3.36Å; C406-P408 VanDerWaalsContact C-CD 3.4Å; P408-V411 PolarHBondContact O-N 3.31Å; P408-Q412 PolarHBondContact O-N 3.05Å
409	I	74.6	Confident	77.8	Confident	55 Å²	55	57.8 Å²	57.8	28%	0.282	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-46.9	179.3	-58.2	169.9	0	0	0	109.7	C406 T407 V411 Q412 Y413	C406-I409 WeakPolarHBondContact O-CB 3.49Å; C406-I409 PolarHBondContact O-N 3.1Å; C406-I409 VanDerWaalsContact O-N 3.15Å; T407-I409 VanDerWaalsContact C-N 3.27Å; T407-I409 PolarHBondContact O-N 2.83Å; I409-V411 VanDerWaalsContact C-N 3.3Å; I409-V411 PolarHBondContact O-N 2.82Å; I409-Q412 WeakPolarHBondContact O-CB 3.18Å; I409-Q412 PolarHBondContact O-N 2.99Å; I409-Q412 VanDerWaalsContact O-N 3.07Å; I409-Y413 HydrophobicContact CG2-CD2 4.17Å; I409-Y413 HydrophobicContact CG2-CE2 3.98Å; I409-Y413 WeakPolarHBondContact O-CD2 3.39Å; I409-Y413 PolarHBondContact O-N 3.13Å; I409-Y413 VanDerWaalsContact O-N 3.07Å
410	Y	81.4	Confident	78.1	Confident	23 Å²	23	56 Å²	56	9%	0.09	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-38.2	176.1	-55.3	-37.4	0	0	0	112.1	F390 F395 W402 C406 T407 Q412 Y413 F414	F390-Y410 HydrophobicContact CE1-CD1 4.48Å; F390-Y410 HydrophobicContact CZ-CD1 4.09Å; F395-Y410 HydrophobicContact CE1-CE2 4.1Å; F395-Y410 HydrophobicContact CZ-CD1 4.35Å; F395-Y410 HydrophobicContact CZ-CD2 4.08Å; F395-Y410 HydrophobicContact CZ-CE1 4.27Å; F395-Y410 HydrophobicContact CZ-CE2 4Å; F395-Y410 HydrophobicContact CZ-CG 4.27Å; W402-Y410 HydrophobicContact CD2-CD2 4.2Å; W402-Y410 HydrophobicContact CD2-CE2 4.47Å; W402-Y410 AromaticContact CE2-CD2 3.97Å; W402-Y410 HydrophobicContact CE3-CD2 4.46Å; W402-Y410 HydrophobicContact CH2-CD2 4.39Å; W402-Y410 HydrophobicContact CZ2-CD2 4.09Å; C406-Y410 HydrophobicContact CB-CE2 3.99Å; C406-Y410 PolarHBondContact O-N 2.85Å; T407-Y410 PolarHBondContact O-N 2.92Å; Y410-Q412 VanDerWaalsContact C-N 3.34Å; Y410-Q412 PolarHBondContact O-N 2.87Å; Y410-Y413 PolarHBondContact O-N 2.76Å; Y410-F414 WeakPolarHBondContact O-CD2 3.35Å; Y410-F414 PolarHBondContact O-N 3.42Å; Y410-F414 VanDerWaalsContact O-N 3.1Å
411	V	80.7	Confident	78.4	Confident	59 Å²	59	51 Å²	51	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-37.9	173	171.8	0	0	0	0	111.7	L124 T407 P408 I409 F414 V415	L124-V411 HydrophobicContact CD1-CG1 4.23Å; T407-V411 HydrophobicContact CG2-CG2 4.25Å; T407-V411 WeakPolarHBondContact O-CG2 3.34Å; T407-V411 PolarHBondContact O-N 3.13Å; P408-V411 PolarHBondContact O-N 3.31Å; I409-V411 VanDerWaalsContact C-N 3.3Å; I409-V411 PolarHBondContact O-N 2.82Å; V411-F414 PolarHBondContact O-N 2.82Å; V411-V415 WeakPolarHBondContact O-CG2 2.98Å; V411-V415 PolarHBondContact O-N 3.11Å
412	Q	74.3	Confident	78.7	Confident	37 Å²	37	46.1 Å²	46.1	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-40.4	176.4	-162.3	173.4	16.5	0	0	112.1	P408 I409 Y410 V415 K416 L961	P408-Q412 PolarHBondContact O-N 3.05Å; I409-Q412 WeakPolarHBondContact O-CB 3.18Å; I409-Q412 PolarHBondContact O-N 2.99Å; I409-Q412 VanDerWaalsContact O-N 3.07Å; Y410-Q412 VanDerWaalsContact C-N 3.34Å; Y410-Q412 PolarHBondContact O-N 2.87Å; Q412-V415 PolarHBondContact O-N 3.05Å; Q412-K416 PolarHBondContact O-N 2.9Å; Q412-L961 HydrophobicContact CG-CD2 4Å
413	Y	78.7	Confident	78.5	Confident	39 Å²	39	41 Å²	41	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-44.2	171.1	-82.8	-82.1	0	0	0	112.3	V140 F390 I409 Y410 V415 K416 F417 L961	V140-Y413 HydrophobicContact CG1-CE2 4.27Å; F390-Y413 HydrophobicContact CE2-CD1 4.12Å; F390-Y413 HydrophobicContact CE2-CD2 4.25Å; F390-Y413 AromaticContact CE2-CG 3.95Å; F390-Y413 HydrophobicContact CE2-CG 3.95Å; F390-Y413 HydrophobicContact CZ-CD2 4.12Å; F390-Y413 AromaticContact CZ-CG 3.99Å; F390-Y413 HydrophobicContact CZ-CG 3.99Å; I409-Y413 HydrophobicContact CG2-CD2 4.17Å; I409-Y413 HydrophobicContact CG2-CE2 3.98Å; I409-Y413 WeakPolarHBondContact O-CD2 3.39Å; I409-Y413 PolarHBondContact O-N 3.13Å; I409-Y413 VanDerWaalsContact O-N 3.07Å; Y410-Y413 PolarHBondContact O-N 2.76Å; Y413-V415 VanDerWaalsContact C-N 3.31Å; Y413-V415 PolarHBondContact O-N 2.8Å; Y413-K416 WeakPolarHBondContact O-CB 3.46Å; Y413-K416 PolarHBondContact O-N 2.88Å; Y413-F417 HydrophobicContact CD1-CZ 4.15Å; Y413-F417 WeakPolarHBondContact O-CD2 3.34Å; Y413-F417 VanDerWaalsContact O-CG 3.26Å; Y413-F417 WeakPolarHBondContact O-CG 3.41Å; Y413-F417 PolarHBondContact O-N 3.45Å; Y413-L961 HydrophobicContact CE2-CD2 4.36Å
414	F	83.8	Confident	78.7	Confident	57 Å²	57	38.1 Å²	38.1	25%	0.25	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-35.9	175.5	-68.3	-52.9	0	0	0	113.2	V387 F390 V391 W402 Y410 V411 F417 F418	V387-F414 HydrophobicContact CG1-CE1 4.07Å; V387-F414 HydrophobicContact CG2-CD1 4.03Å; V387-F414 HydrophobicContact CG2-CE1 4.28Å; F390-F414 HydrophobicContact CD1-CE1 4.14Å; F390-F414 HydrophobicContact CD1-CZ 4.18Å; F390-F414 HydrophobicContact CE1-CZ 4.31Å; V391-F414 HydrophobicContact CG2-CE1 4.17Å; V391-F414 HydrophobicContact CG2-CZ 3.94Å; W402-F414 HydrophobicContact CH2-CE2 4.16Å; Y410-F414 WeakPolarHBondContact O-CD2 3.35Å; Y410-F414 PolarHBondContact O-N 3.42Å; Y410-F414 VanDerWaalsContact O-N 3.1Å; V411-F414 PolarHBondContact O-N 2.82Å; F414-F417 HydrophobicContact CD1-CD2 4.22Å; F414-F418 WeakPolarHBondContact O-CB 3.44Å; F414-F418 PolarHBondContact O-N 2.89Å
415	V	79.6	Confident	79.2	Confident	22 Å²	22	34.7 Å²	34.7	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-41.3	173	168.9	0	0	0	0	111.4	V120 L124 V411 Q412 Y413 F417 F418 I419	V120-V415 HydrophobicContact CG1-CG1 4.18Å; V120-V415 HydrophobicContact CG1-CG2 3.88Å; L124-V415 HydrophobicContact CD1-CB 4.18Å; L124-V415 HydrophobicContact CD1-CG1 4.42Å; L124-V415 HydrophobicContact CD1-CG2 3.76Å; V411-V415 WeakPolarHBondContact O-CG2 2.98Å; V411-V415 PolarHBondContact O-N 3.11Å; Q412-V415 PolarHBondContact O-N 3.05Å; Y413-V415 VanDerWaalsContact C-N 3.31Å; Y413-V415 PolarHBondContact O-N 2.8Å; V415-F417 PolarHBondContact O-N 2.87Å; V415-F418 PolarHBondContact O-N 2.85Å; V415-I419 HydrophobicContact CG1-CD1 3.76Å; V415-I419 HydrophobicContact CG1-CG1 4.42Å; V415-I419 WeakPolarHBondContact O-CG1 3.47Å; V415-I419 PolarHBondContact O-N 3.39Å
416	K	77.2	Confident	79.4	Confident	32 Å²	32	28 Å²	28	14%	0.139	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-47.5	173	-176.4	-177.2	177.6	-173.3	0	111.7	Q412 Y413 F418 I419 I420 D876 L961	Q412-K416 PolarHBondContact O-N 2.9Å; Y413-K416 WeakPolarHBondContact O-CB 3.46Å; Y413-K416 PolarHBondContact O-N 2.88Å; K416-F418 VanDerWaalsContact C-N 3.32Å; K416-F418 PolarHBondContact O-N 3.48Å; K416-I419 PolarHBondContact O-N 2.9Å; K416-I420 HydrophobicContact CG-CD1 4.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.38Å; K416-I420 PolarHBondContact O-N 2.72Å; K416-D876 VanDerWaalsContact CE-OD2 3.22Å; K416-D876 WeakPolarHBondContact CE-OD2 3.21Å; K416-D876 IonicContact NZ-OD2 2.62Å; K416-D876 PolarHBondContact NZ-OD2 2.81Å; K416-L961 HydrophobicContact CD-CD1 3.88Å
417	F	85.1	Confident	79.8	Confident	6 Å²	6	28 Å²	28	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-37.2	177.5	-56.6	-36	0	0	0	112.4	L386 V387 F390 Y413 F414 V415 I420 G421	L386-F417 HydrophobicContact CB-CB 3.97Å; L386-F417 HydrophobicContact CB-CD1 3.77Å; L386-F417 HydrophobicContact CB-CD2 4.25Å; L386-F417 HydrophobicContact CB-CE1 4.3Å; L386-F417 HydrophobicContact CB-CG 3.74Å; L386-F417 HydrophobicContact CD1-CB 4.1Å; L386-F417 HydrophobicContact CD1-CD1 3.94Å; L386-F417 HydrophobicContact CD1-CG 4.31Å; L386-F417 HydrophobicContact CD2-CD1 4.05Å; L386-F417 HydrophobicContact CD2-CE1 4.18Å; L386-F417 HydrophobicContact CG-CD1 4.15Å; V387-F417 HydrophobicContact CG2-CD2 4.42Å; F390-F417 HydrophobicContact CB-CE2 3.56Å; F390-F417 HydrophobicContact CB-CZ 3.77Å; F390-F417 HydrophobicContact CD1-CE2 4.01Å; F390-F417 HydrophobicContact CD2-CE2 4.22Å; F390-F417 HydrophobicContact CD2-CZ 4.04Å; F390-F417 AromaticContact CG-CE2 3.67Å; F390-F417 HydrophobicContact CG-CE2 3.67Å; F390-F417 AromaticContact CG-CZ 3.9Å; F390-F417 HydrophobicContact CG-CZ 3.9Å; Y413-F417 HydrophobicContact CD1-CZ 4.15Å; Y413-F417 WeakPolarHBondContact O-CD2 3.34Å; Y413-F417 VanDerWaalsContact O-CG 3.26Å; Y413-F417 WeakPolarHBondContact O-CG 3.41Å; Y413-F417 PolarHBondContact O-N 3.45Å; F414-F417 HydrophobicContact CD1-CD2 4.22Å; V415-F417 PolarHBondContact O-N 2.87Å; F417-I420 PolarHBondContact O-N 3.31Å; F417-G421 PolarHBondContact O-N 3.41Å
418	F	83.5	Confident	80	Confident	101 Å²	101	26.2 Å²	26.2	44%	0.443	13%	0.131	S	C	.	.	H	α-helix	trans	-65.3	-42.5	173.3	-175	-102	0	0	0	112.2	I113 A117 F414 V415 K416 I420 G421 V422	I113-F418 HydrophobicContact CG2-CE1 4.35Å; I113-F418 HydrophobicContact CG2-CZ 4.29Å; A117-F418 HydrophobicContact CB-CD1 4.39Å; A117-F418 HydrophobicContact CB-CE1 4.36Å; F414-F418 WeakPolarHBondContact O-CB 3.44Å; F414-F418 PolarHBondContact O-N 2.89Å; V415-F418 PolarHBondContact O-N 2.85Å; K416-F418 VanDerWaalsContact C-N 3.32Å; K416-F418 PolarHBondContact O-N 3.48Å; F418-I420 PolarHBondContact O-N 3.28Å; F418-G421 WeakPolarHBondContact O-CA 3.22Å; F418-G421 PolarHBondContact O-N 3.48Å; F418-G421 VanDerWaalsContact O-N 3.14Å; F418-V422 HydrophobicContact CD1-CG2 4.06Å; F418-V422 HydrophobicContact CE1-CG2 3.65Å; F418-V422 HydrophobicContact CE2-CG2 4.42Å; F418-V422 HydrophobicContact CZ-CG2 3.85Å; F418-V422 WeakPolarHBondContact O-CG2 3.49Å; F418-V422 PolarHBondContact O-N 3.23Å
419	I	79	Confident	80.3	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-40.9	175.4	-70.5	164	0	0	0	111.3	A117 I160 V415 K416 G421 V422 T423 A881	A117-I419 HydrophobicContact CB-CG1 3.95Å; I160-I419 HydrophobicContact CD1-CG2 4.39Å; V415-I419 HydrophobicContact CG1-CD1 3.76Å; V415-I419 HydrophobicContact CG1-CG1 4.42Å; V415-I419 WeakPolarHBondContact O-CG1 3.47Å; V415-I419 PolarHBondContact O-N 3.39Å; K416-I419 PolarHBondContact O-N 2.9Å; I419-G421 VanDerWaalsContact C-N 3.34Å; I419-G421 PolarHBondContact O-N 3Å; I419-V422 PolarHBondContact O-N 3Å; I419-T423 WeakPolarHBondContact O-CB 3.5Å; I419-T423 PolarHBondContact O-N 2.96Å; I419-T423 PolarHBondContact O-OG1 2.92Å; I419-A881 HydrophobicContact CG2-CB 4.38Å
420	I	80.3	Confident	80.2	Confident	12 Å²	12	23.9 Å²	23.9	6%	0.062	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-45.6	172.6	-67.4	166	0	0	0	110.1	T382 L386 K416 F417 F418 V422 T423 V424 A871	T382-I420 HydrophobicContact CG2-CG2 4.38Å; L386-I420 HydrophobicContact CD1-CB 4.25Å; L386-I420 HydrophobicContact CD1-CD1 4.26Å; L386-I420 HydrophobicContact CD1-CG2 3.98Å; K416-I420 HydrophobicContact CG-CD1 4.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.38Å; K416-I420 PolarHBondContact O-N 2.72Å; F417-I420 PolarHBondContact O-N 3.31Å; F418-I420 PolarHBondContact O-N 3.28Å; I420-V422 PolarHBondContact O-N 2.61Å; I420-T423 WeakPolarHBondContact O-CB 3.42Å; I420-T423 PolarHBondContact O-N 3.48Å; I420-V424 WeakPolarHBondContact O-CG2 3.49Å; I420-V424 PolarHBondContact O-N 2.85Å; I420-A871 HydrophobicContact CG2-CB 4.47Å
421	G	83.5	Confident	79.8	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-57.9	-46.8	174.7	0	0	0	0	0	114	S379 F417 F418 I419 T423 V424 L425	S379-G421 WeakPolarHBondContact CB-O 3.43Å; S379-G421 VanDerWaalsContact OG-C 3.3Å; S379-G421 PolarHBondContact OG-O 3.12Å; F417-G421 PolarHBondContact O-N 3.41Å; F418-G421 WeakPolarHBondContact O-CA 3.22Å; F418-G421 PolarHBondContact O-N 3.48Å; F418-G421 VanDerWaalsContact O-N 3.14Å; I419-G421 VanDerWaalsContact C-N 3.34Å; I419-G421 PolarHBondContact O-N 3Å; G421-T423 VanDerWaalsContact C-N 3.35Å; G421-V424 PolarHBondContact O-N 2.75Å; G421-L425 PolarHBondContact O-N 2.81Å
422	V	81.7	Confident	79.1	Confident	9 Å²	9	22.7 Å²	22.7	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-39.2	176.5	174.9	0	0	0	0	110.9	I113 L114 F418 I419 I420 V424 L425 V426	I113-V422 HydrophobicContact CG2-CG1 4.06Å; I113-V422 HydrophobicContact CG2-CG2 3.68Å; L114-V422 HydrophobicContact CB-CG1 4.17Å; L114-V422 HydrophobicContact CD1-CG1 4.06Å; F418-V422 HydrophobicContact CD1-CG2 4.06Å; F418-V422 HydrophobicContact CE1-CG2 3.65Å; F418-V422 HydrophobicContact CE2-CG2 4.42Å; F418-V422 HydrophobicContact CZ-CG2 3.85Å; F418-V422 WeakPolarHBondContact O-CG2 3.49Å; F418-V422 PolarHBondContact O-N 3.23Å; I419-V422 PolarHBondContact O-N 3Å; I420-V422 PolarHBondContact O-N 2.61Å; V422-V424 PolarHBondContact O-N 2.7Å; V422-L425 WeakPolarHBondContact O-CB 3.42Å; V422-L425 PolarHBondContact O-N 3.1Å; V422-L425 VanDerWaalsContact O-N 3.13Å; V422-V426 HydrophobicContact CG1-CG2 4.35Å; V422-V426 WeakPolarHBondContact O-CG2 3.27Å; V422-V426 PolarHBondContact O-N 3.4Å
423	T	77.5	Confident	79.1	Confident	14 Å²	14	21 Å²	21	9%	0.086	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-42.5	176	-56.2	0	0	0	0	111.6	I419 I420 G421 L425 V426 V427 M884	I419-T423 WeakPolarHBondContact O-CB 3.5Å; I419-T423 PolarHBondContact O-N 2.96Å; I419-T423 PolarHBondContact O-OG1 2.92Å; I420-T423 WeakPolarHBondContact O-CB 3.42Å; I420-T423 PolarHBondContact O-N 3.48Å; G421-T423 VanDerWaalsContact C-N 3.35Å; T423-L425 VanDerWaalsContact C-N 3.32Å; T423-L425 PolarHBondContact O-N 3.34Å; T423-V426 PolarHBondContact O-N 2.67Å; T423-V427 PolarHBondContact O-N 2.86Å; T423-V427 VanDerWaalsContact O-N 3.11Å; T423-M884 HydrophobicContact CG2-CB 3.54Å; T423-M884 HydrophobicContact CG2-CE 4.35Å; T423-M884 HydrophobicContact CG2-CG 3.7Å
424	V	82.6	Confident	78.5	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-38.8	172.8	170.3	0	0	0	0	111.3	I420 G421 V422 A428 A867	I420-V424 WeakPolarHBondContact O-CG2 3.49Å; I420-V424 PolarHBondContact O-N 2.85Å; G421-V424 PolarHBondContact O-N 2.75Å; V422-V424 PolarHBondContact O-N 2.7Å; V424-A428 WeakPolarHBondContact O-CB 3.38Å; V424-A428 PolarHBondContact O-N 3.13Å; V424-A867 HydrophobicContact CG2-CB 3.75Å
425	L	83.3	Confident	77.9	Confident	30 Å²	30	20.4 Å²	20.4	16%	0.157	11%	0.108	C	C	.	.	H	α-helix	trans	-66.2	-47.2	176.7	179.6	59.3	0	0	0	112.1	L376 G421 V422 T423 V427 A428 V429	L376-L425 HydrophobicContact CB-CD1 4.24Å; L376-L425 HydrophobicContact CD1-CD1 4.4Å; L376-L425 HydrophobicContact CD1-CD2 4.26Å; G421-L425 PolarHBondContact O-N 2.81Å; V422-L425 WeakPolarHBondContact O-CB 3.42Å; V422-L425 PolarHBondContact O-N 3.1Å; V422-L425 VanDerWaalsContact O-N 3.13Å; T423-L425 VanDerWaalsContact C-N 3.32Å; T423-L425 PolarHBondContact O-N 3.34Å; L425-V427 PolarHBondContact O-N 3.44Å; L425-A428 PolarHBondContact O-N 3.5Å; L425-V429 HydrophobicContact CD1-CG2 3.95Å; L425-V429 WeakPolarHBondContact O-CG2 3.23Å; L425-V429 PolarHBondContact O-N 2.9Å
426	V	78.3	Confident	77.8	Confident	3 Å²	3	19.3 Å²	19.3	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-47.1	179.5	169.4	0	0	0	0	111	V422 T423 A428 V429 L885	V422-V426 HydrophobicContact CG1-CG2 4.35Å; V422-V426 WeakPolarHBondContact O-CG2 3.27Å; V422-V426 PolarHBondContact O-N 3.4Å; T423-V426 PolarHBondContact O-N 2.67Å; V426-A428 VanDerWaalsContact C-N 3.33Å; V426-A428 PolarHBondContact O-N 3.03Å; V426-V429 PolarHBondContact O-N 3.13Å; V426-L885 HydrophobicContact CG1-CD2 4.23Å
427	V	79.6	Confident	77.8	Confident	3 Å²	3	18.2 Å²	18.2	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-75.1	-22.3	178.5	177.3	0	0	0	0	112.7	T423 L425 N860 A863 M884	T423-V427 PolarHBondContact O-N 2.86Å; T423-V427 VanDerWaalsContact O-N 3.11Å; L425-V427 PolarHBondContact O-N 3.44Å; V427-N860 PolarHBondContact O-ND2 3.39Å; V427-A863 HydrophobicContact CG1-CB 3.59Å; V427-M884 HydrophobicContact CB-CE 4.05Å; V427-M884 HydrophobicContact CG1-CE 4.14Å; V427-M884 HydrophobicContact CG2-CB 3.97Å; V427-M884 HydrophobicContact CG2-CE 3.82Å; V427-M884 HydrophobicContact CG2-SD 4.24Å
428	A	82.5	Confident	77.4	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-74.3	-27.8	172.8	0	0	0	0	0	113.3	I371 G375 V424 L425 V426 P430 N860 V864	I371-A428 WeakPolarHBondContact CG2-O 3.49Å; G375-A428 VanDerWaalsContact CA-CB 3.48Å; V424-A428 WeakPolarHBondContact O-CB 3.38Å; V424-A428 PolarHBondContact O-N 3.13Å; L425-A428 PolarHBondContact O-N 3.5Å; V426-A428 VanDerWaalsContact C-N 3.33Å; V426-A428 PolarHBondContact O-N 3.03Å; A428-P430 VanDerWaalsContact O-CD 3.31Å; A428-P430 WeakPolarHBondContact O-CD 3.35Å; A428-N860 PolarHBondContact O-ND2 2.85Å; A428-N860 VanDerWaalsContact O-ND2 3.1Å; A428-V864 HydrophobicContact CB-CG2 3.76Å
429	V	78.9	Confident	77.2	Confident	35 Å²	35	15.4 Å²	15.4	21%	0.212	9%	0.089	C	C	.	.	S	Bend	trans	-95.1	108.2	-177.8	176.6	0	0	0	0	110.5	L425 V426 E431	L425-V429 HydrophobicContact CD1-CG2 3.95Å; L425-V429 WeakPolarHBondContact O-CG2 3.23Å; L425-V429 PolarHBondContact O-N 2.9Å; V426-V429 PolarHBondContact O-N 3.13Å; V429-E431 HydrophobicContact CG1-CG 4.24Å; V429-E431 PolarHBondContact O-N 2.92Å
430	P	73.3	Confident	77.5	Confident	5 Å²	5	15 Å²	15	3%	0.032	9%	0.087	C	C	.	.			trans	-81.8	85.7	-179.8	33.8	-35.5	0	0	0	110.7	I371 A428 G432 L433 Q856	I371-P430 HydrophobicContact CD1-CG 4.33Å; I371-P430 HydrophobicContact CG2-CG 4.24Å; A428-P430 VanDerWaalsContact O-CD 3.31Å; A428-P430 WeakPolarHBondContact O-CD 3.35Å; P430-G432 PolarHBondContact O-N 3.01Å; P430-L433 HydrophobicContact CB-CD1 4.32Å; P430-L433 HydrophobicContact CB-CD2 4.19Å; P430-L433 HydrophobicContact CB-CG 3.85Å; P430-L433 HydrophobicContact CG-CD1 3.64Å; P430-L433 HydrophobicContact CG-CD2 4.39Å; P430-L433 HydrophobicContact CG-CG 3.72Å; P430-L433 PolarHBondContact O-N 3.28Å; P430-Q856 HydrophobicContact CB-CG 3.94Å
431	E	71.7	Confident	77.6	Confident	55 Å²	55	15.1 Å²	15.1	26%	0.257	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.3	-175.5	-67.3	175.8	-179.2	0	0	113	T110 V429 L433 P434	T110-E431 PolarHBondContact OG1-OE1 3.07Å; V429-E431 HydrophobicContact CG1-CG 4.24Å; V429-E431 PolarHBondContact O-N 2.92Å; E431-L433 PolarHBondContact O-N 3.18Å; E431-P434 VanDerWaalsContact O-CD 3.25Å; E431-P434 WeakPolarHBondContact O-CD 3.48Å
432	G	66.9	Low	77.4	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.01	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4	-177.5	0	0	0	0	0	116.5	P430 L435 A436 D892	P430-G432 PolarHBondContact O-N 3.01Å; G432-L435 WeakPolarHBondContact O-CB 3.39Å; G432-L435 PolarHBondContact O-N 3.39Å; G432-L435 VanDerWaalsContact O-N 3.08Å; G432-A436 WeakPolarHBondContact O-CB 3.25Å; G432-A436 PolarHBondContact O-N 3.14Å; G432-D892 VanDerWaalsContact CA-CG 3.5Å; G432-D892 WeakPolarHBondContact CA-OD1 3.4Å; G432-D892 WeakPolarHBondContact CA-OD2 3.25Å; G432-D892 VanDerWaalsContact N-CG 3.25Å; G432-D892 PolarHBondContact N-OD1 2.85Å; G432-D892 PolarHBondContact N-OD2 3.21Å
433	L	73.5	Confident	77.5	Confident	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-54.4	-44.3	174.1	-67.4	-168	0	0	0	113.5	L364 A368 P430 E431 F852 L853 Q856	L364-L433 HydrophobicContact CD2-CB 4.47Å; L364-L433 HydrophobicContact CD2-CD1 4.32Å; A368-L433 HydrophobicContact CB-CD1 4.23Å; P430-L433 HydrophobicContact CB-CD1 4.32Å; P430-L433 HydrophobicContact CB-CD2 4.19Å; P430-L433 HydrophobicContact CB-CG 3.85Å; P430-L433 HydrophobicContact CG-CD1 3.64Å; P430-L433 HydrophobicContact CG-CD2 4.39Å; P430-L433 HydrophobicContact CG-CG 3.72Å; P430-L433 PolarHBondContact O-N 3.28Å; E431-L433 PolarHBondContact O-N 3.18Å; L433-F852 HydrophobicContact CD2-CD1 4.5Å; L433-F852 HydrophobicContact CD2-CE1 3.69Å; L433-F852 HydrophobicContact CD2-CZ 4.33Å; L433-L853 HydrophobicContact CD1-CD2 4.32Å; L433-L853 HydrophobicContact CD2-CD2 3.59Å; L433-Q856 HydrophobicContact CD2-CG 4.37Å
434	P	67.4	Low	77.9	Confident	65 Å²	65	15.6 Å²	15.6	42%	0.422	9%	0.087	S	C	.	.	H	α-helix	trans	-74	-28.9	175.1	-14.3	31.7	0	0	0	112.7	E431 T438	E431-P434 VanDerWaalsContact O-CD 3.25Å; E431-P434 WeakPolarHBondContact O-CD 3.48Å; P434-T438 PolarHBondContact O-N 2.88Å; P434-T438 PolarHBondContact O-OG1 3.03Å
435	L	70.6	Confident	78	Confident	18 Å²	18	15.6 Å²	15.6	9%	0.094	9%	0.087	C	C	.	.	H	α-helix	trans	-68.6	-46	180	-178.3	55.9	0	0	0	111	D175 K178 G432 V437 T438 I439	D175-L435 VanDerWaalsContact OD1-CD1 3.26Å; D175-L435 WeakPolarHBondContact OD1-CD1 3.44Å; K178-L435 HydrophobicContact CD-CD1 4.27Å; G432-L435 WeakPolarHBondContact O-CB 3.39Å; G432-L435 PolarHBondContact O-N 3.39Å; G432-L435 VanDerWaalsContact O-N 3.08Å; L435-V437 VanDerWaalsContact C-N 3.34Å; L435-V437 PolarHBondContact O-N 2.97Å; L435-T438 PolarHBondContact O-N 3.29Å; L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4.1Å; L435-I439 HydrophobicContact CD2-CD1 4.45Å; L435-I439 HydrophobicContact CG-CD1 3.73Å; L435-I439 HydrophobicContact CG-CG1 4.36Å; L435-I439 WeakPolarHBondContact O-CG1 3.46Å; L435-I439 PolarHBondContact O-N 2.87Å
436	A	77	Confident	78	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.2	-41.3	178.8	0	0	0	0	0	113	G432 S440 F852	G432-A436 WeakPolarHBondContact O-CB 3.25Å; G432-A436 PolarHBondContact O-N 3.14Å; A436-S440 WeakPolarHBondContact O-CB 3.27Å; A436-S440 PolarHBondContact O-N 3.11Å; A436-F852 HydrophobicContact CB-CD1 3.36Å; A436-F852 HydrophobicContact CB-CE1 3.28Å; A436-F852 HydrophobicContact CB-CG 4.15Å; A436-F852 HydrophobicContact CB-CZ 4.04Å
437	V	78.6	Confident	78.5	Confident	9 Å²	9	23 Å²	23	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-53.2	171.3	-178.8	0	0	0	0	109.8	L364 L435 I439 S440 L441 I849	L364-V437 HydrophobicContact CD1-CG2 3.14Å; L435-V437 VanDerWaalsContact C-N 3.34Å; L435-V437 PolarHBondContact O-N 2.97Å; V437-I439 VanDerWaalsContact C-N 3.33Å; V437-I439 PolarHBondContact O-N 3.4Å; V437-S440 PolarHBondContact O-N 2.89Å; V437-L441 VanDerWaalsContact O-CB 3.25Å; V437-L441 WeakPolarHBondContact O-CB 3.42Å; V437-L441 PolarHBondContact O-N 2.84Å; V437-I849 HydrophobicContact CB-CD1 4.27Å; V437-I849 HydrophobicContact CG1-CD1 4.18Å; V437-I849 HydrophobicContact CG2-CD1 4.12Å
438	T	75.7	Confident	78.9	Confident	36 Å²	36	22.9 Å²	22.9	22%	0.221	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-35.2	-172.6	-43.6	0	0	0	0	111.8	K178 F182 P434 L435 A442	K178-T438 HydrophobicContact CD-CG2 3.55Å; K178-T438 HydrophobicContact CG-CG2 4.09Å; F182-T438 HydrophobicContact CE2-CG2 3.89Å; F182-T438 HydrophobicContact CZ-CG2 3.92Å; P434-T438 PolarHBondContact O-N 2.88Å; P434-T438 PolarHBondContact O-OG1 3.03Å; L435-T438 PolarHBondContact O-N 3.29Å; T438-A442 WeakPolarHBondContact O-CB 3.37Å; T438-A442 PolarHBondContact O-N 2.82Å
439	I	80.6	Confident	79	Confident	12 Å²	12	25.8 Å²	25.8	6%	0.062	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-49.8	173.4	-68.4	170.3	0	0	0	110.8	N174 L435 V437 L441 A442 Y443 L897 A900 T901	N174-I439 WeakPolarHBondContact ND2-CD1 3.49Å; N174-I439 WeakPolarHBondContact OD1-CD1 3.43Å; L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4.1Å; L435-I439 HydrophobicContact CD2-CD1 4.45Å; L435-I439 HydrophobicContact CG-CD1 3.73Å; L435-I439 HydrophobicContact CG-CG1 4.36Å; L435-I439 WeakPolarHBondContact O-CG1 3.46Å; L435-I439 PolarHBondContact O-N 2.87Å; V437-I439 VanDerWaalsContact C-N 3.33Å; V437-I439 PolarHBondContact O-N 3.4Å; I439-L441 VanDerWaalsContact C-N 3.26Å; I439-L441 PolarHBondContact O-N 3.34Å; I439-A442 PolarHBondContact O-N 2.78Å; I439-Y443 VanDerWaalsContact O-CB 3.28Å; I439-Y443 WeakPolarHBondContact O-CB 3.45Å; I439-Y443 PolarHBondContact O-N 3.45Å; I439-L897 HydrophobicContact CG2-CD1 4.02Å; I439-A900 HydrophobicContact CG2-CB 4.49Å; I439-T901 HydrophobicContact CG2-CG2 4.47Å
440	S	83.8	Confident	79.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-42.9	178.7	-157	0	0	0	0	111.2	A436 V437 S444 A900	A436-S440 WeakPolarHBondContact O-CB 3.27Å; A436-S440 PolarHBondContact O-N 3.11Å; V437-S440 PolarHBondContact O-N 2.89Å; S440-S444 WeakPolarHBondContact O-CB 3.36Å; S440-S444 PolarHBondContact O-N 3.35Å; S440-S444 PolarHBondContact O-OG 3.33Å; S440-A900 PolarHBondContact OG-O 3.36Å
441	L	82.3	Confident	80.2	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.073	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-46.6	-178	-156.2	62.9	0	0	0	111.8	V437 I439 Y443 S444 V445 L458 C461 V845	V437-L441 VanDerWaalsContact O-CB 3.25Å; V437-L441 WeakPolarHBondContact O-CB 3.42Å; V437-L441 PolarHBondContact O-N 2.84Å; I439-L441 VanDerWaalsContact C-N 3.26Å; I439-L441 PolarHBondContact O-N 3.34Å; L441-Y443 PolarHBondContact O-N 2.68Å; L441-S444 PolarHBondContact O-N 2.99Å; L441-V445 WeakPolarHBondContact O-CB 3.39Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.43Å; L441-V445 PolarHBondContact O-N 3.19Å; L441-L458 WeakPolarHBondContact CD1-O 3.32Å; L441-L458 HydrophobicContact CD2-CB 3.71Å; L441-L458 HydrophobicContact CG-CB 4.21Å; L441-C461 HydrophobicContact CD1-CB 3.86Å; L441-V845 HydrophobicContact CD1-CG1 4.18Å; L441-V845 HydrophobicContact CD1-CG2 4.38Å
442	A	80.3	Confident	81.1	Confident	2 Å²	2	34.8 Å²	34.8	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-42.8	176.7	0	0	0	0	0	112.2	F182 T438 I439 K446	F182-A442 HydrophobicContact CE1-CB 3.92Å; F182-A442 HydrophobicContact CE2-CB 4.31Å; F182-A442 HydrophobicContact CZ-CB 3.72Å; T438-A442 WeakPolarHBondContact O-CB 3.37Å; T438-A442 PolarHBondContact O-N 2.82Å; I439-A442 PolarHBondContact O-N 2.78Å; A442-K446 VanDerWaalsContact O-CB 3.31Å; A442-K446 WeakPolarHBondContact O-CB 3.5Å; A442-K446 PolarHBondContact O-N 3.43Å; A442-K446 VanDerWaalsContact O-N 3.12Å
443	Y	83.1	Confident	82.2	Confident	31 Å²	31	34.7 Å²	34.7	12%	0.122	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-45.4	175.7	177	-97.4	0	0	0	111.8	I439 L441 K446 K447 T901 I1005	I439-Y443 VanDerWaalsContact O-CB 3.28Å; I439-Y443 WeakPolarHBondContact O-CB 3.45Å; I439-Y443 PolarHBondContact O-N 3.45Å; L441-Y443 PolarHBondContact O-N 2.68Å; Y443-K446 PolarHBondContact O-N 3.27Å; Y443-K447 HydrophobicContact CD1-CG 4.44Å; Y443-K447 HydrophobicContact CE1-CG 4.23Å; Y443-K447 VanDerWaalsContact CE2-CE 3.47Å; Y443-K447 VanDerWaalsContact O-CG 3.25Å; Y443-K447 WeakPolarHBondContact O-CG 3.12Å; Y443-K447 PolarHBondContact O-N 3.44Å; Y443-K447 VanDerWaalsContact O-N 3.1Å; Y443-K447 WeakPolarHBondContact OH-CE 3.4Å; Y443-K447 PolarHBondContact OH-NZ 3.34Å; Y443-T901 HydrophobicContact CD1-CG2 4.15Å; Y443-T901 HydrophobicContact CD2-CG2 4.05Å; Y443-T901 HydrophobicContact CE1-CG2 4.41Å; Y443-T901 WeakPolarHBondContact CE1-O 3.24Å; Y443-T901 HydrophobicContact CE2-CG2 4.32Å; Y443-T901 HydrophobicContact CG-CG2 3.94Å; Y443-T901 PolarHBondContact OH-O 3.49Å; Y443-I1005 HydrophobicContact CE2-CD1 4.23Å
444	S	86.8	Confident	83	Confident	1 Å²	1	35 Å²	35	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-45	179.7	-63.1	0	0	0	0	111.8	S440 L441 K446 K447 M448 V845	S440-S444 WeakPolarHBondContact O-CB 3.36Å; S440-S444 PolarHBondContact O-N 3.35Å; S440-S444 PolarHBondContact O-OG 3.33Å; L441-S444 PolarHBondContact O-N 2.99Å; S444-K446 VanDerWaalsContact C-N 3.34Å; S444-K446 PolarHBondContact O-N 3.27Å; S444-K447 CarbonylContact O-C 3.49Å; S444-K447 PolarHBondContact O-N 3.42Å; S444-M448 WeakPolarHBondContact O-CB 3.37Å; S444-M448 WeakPolarHBondContact O-CG 3.4Å; S444-M448 PolarHBondContact O-N 3.04Å; S444-V845 WeakPolarHBondContact OG-CG2 3.39Å
445	V	83.8	Confident	84	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-42.6	175.3	168.7	0	0	0	0	111.5	L185 L441 K447 M448 M449 V455 L458 C461	L185-V445 HydrophobicContact CD1-CB 4.38Å; L185-V445 HydrophobicContact CD1-CG1 3.66Å; L185-V445 HydrophobicContact CD2-CG1 4.07Å; L185-V445 HydrophobicContact CG-CG1 4.49Å; L441-V445 WeakPolarHBondContact O-CB 3.39Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.43Å; L441-V445 PolarHBondContact O-N 3.19Å; V445-K447 PolarHBondContact O-N 3.46Å; V445-M448 PolarHBondContact O-N 2.95Å; V445-M449 PolarHBondContact O-N 3.05Å; V445-V455 HydrophobicContact CG1-CB 3.91Å; V445-V455 HydrophobicContact CG1-CG2 4.39Å; V445-V455 HydrophobicContact CG2-CB 3.98Å; V445-V455 HydrophobicContact CG2-CG1 4.06Å; V445-V455 HydrophobicContact CG2-CG2 4.14Å; V445-L458 HydrophobicContact CG1-CD2 4.48Å; V445-L458 HydrophobicContact CG2-CD2 4.04Å; V445-C461 HydrophobicContact CG2-CB 4.32Å
446	K	84.1	Confident	84.6	Confident	108 Å²	108	34.7 Å²	34.7	47%	0.47	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-27.4	175.1	-178.3	177.7	175.8	-176.9	0	113.3	A442 Y443 S444	A442-K446 VanDerWaalsContact O-CB 3.31Å; A442-K446 WeakPolarHBondContact O-CB 3.5Å; A442-K446 PolarHBondContact O-N 3.43Å; A442-K446 VanDerWaalsContact O-N 3.12Å; Y443-K446 PolarHBondContact O-N 3.27Å; S444-K446 VanDerWaalsContact C-N 3.34Å; S444-K446 PolarHBondContact O-N 3.27Å
447	K	88.1	Confident	84.7	Confident	81 Å²	81	37.7 Å²	37.7	35%	0.352	18%	0.175	S	C	.	.	H	α-helix	trans	-85.3	-41.7	174.7	-63.3	-86.3	-177.6	143.5	0	111.8	Y443 S444 V445 M449 K450 D451 W841	Y443-K447 HydrophobicContact CD1-CG 4.44Å; Y443-K447 HydrophobicContact CE1-CG 4.23Å; Y443-K447 VanDerWaalsContact CE2-CE 3.47Å; Y443-K447 VanDerWaalsContact O-CG 3.25Å; Y443-K447 WeakPolarHBondContact O-CG 3.12Å; Y443-K447 PolarHBondContact O-N 3.44Å; Y443-K447 VanDerWaalsContact O-N 3.1Å; Y443-K447 WeakPolarHBondContact OH-CE 3.4Å; Y443-K447 PolarHBondContact OH-NZ 3.34Å; S444-K447 CarbonylContact O-C 3.49Å; S444-K447 PolarHBondContact O-N 3.42Å; V445-K447 PolarHBondContact O-N 3.46Å; K447-M449 PolarHBondContact O-N 2.67Å; K447-K450 CarbonylContact O-C 3.6Å; K447-K450 WeakPolarHBondContact O-CA 3.38Å; K447-K450 WeakPolarHBondContact O-CB 3.38Å; K447-K450 PolarHBondContact O-N 3.17Å; K447-D451 PolarHBondContact O-N 3.41Å; K447-W841 HydrophobicContact CB-CH2 3.32Å; K447-W841 HydrophobicContact CB-CZ2 3.32Å; K447-W841 HydrophobicContact CB-CZ3 3.98Å; K447-W841 HydrophobicContact CD-CH2 4.27Å; K447-W841 HydrophobicContact CG-CH2 3.64Å; K447-W841 HydrophobicContact CG-CZ2 4.1Å; K447-W841 HydrophobicContact CG-CZ3 4.3Å
448	M	88	Confident	84.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.1	-40.2	171.9	-78.3	-176.8	66.7	0	0	111.9	S444 V445 K450 D451 N452 N453 V455 C461 I825 A838 W841	S444-M448 WeakPolarHBondContact O-CB 3.37Å; S444-M448 WeakPolarHBondContact O-CG 3.4Å; S444-M448 PolarHBondContact O-N 3.04Å; V445-M448 PolarHBondContact O-N 2.95Å; M448-K450 VanDerWaalsContact C-N 3.26Å; M448-K450 PolarHBondContact O-N 3.3Å; M448-D451 CarbonylContact O-C 3.59Å; M448-D451 VanDerWaalsContact O-CA 3.23Å; M448-D451 WeakPolarHBondContact O-CA 3.31Å; M448-D451 WeakPolarHBondContact O-CB 3.44Å; M448-D451 PolarHBondContact O-N 3.12Å; M448-N452 PolarHBondContact O-N 3.1Å; M448-N453 CarbonylContact C-O 3.57Å; M448-N453 HydrophobicContact CB-CB 4.01Å; M448-N453 HydrophobicContact CE-CB 3.79Å; M448-N453 PolarHBondContact O-N 2.94Å; M448-V455 HydrophobicContact CB-CG2 4.41Å; M448-V455 HydrophobicContact CE-CG2 3.56Å; M448-V455 HydrophobicContact SD-CG2 4.01Å; M448-C461 HydrophobicContact SD-CB 4.31Å; M448-C461 PolarHBondContact SD-SG 3.26Å; M448-I825 HydrophobicContact CE-CD1 4.25Å; M448-A838 HydrophobicContact CE-CB 3.74Å; M448-W841 HydrophobicContact CG-CB 3.65Å; M448-W841 HydrophobicContact CG-CD2 4.01Å; M448-W841 HydrophobicContact CG-CG 3.43Å; M448-W841 VanDerWaalsContact CG-CG 3.43Å; M448-W841 HydrophobicContact SD-CB 3.63Å; M448-W841 HydrophobicContact SD-CG 4.13Å
449	M	84.8	Confident	84.9	Confident	64 Å²	64	41.1 Å²	41.1	32%	0.315	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.6	173.9	-172.2	-170.1	70.8	0	0	112.8	L185 R188 V445 K447 D451 N452 N453 L454	L185-M449 HydrophobicContact CD2-SD 3.86Å; R188-M449 HydrophobicContact CB-SD 4.35Å; R188-M449 HydrophobicContact CG-SD 4.39Å; V445-M449 PolarHBondContact O-N 3.05Å; K447-M449 PolarHBondContact O-N 2.67Å; M449-D451 VanDerWaalsContact C-N 3.34Å; M449-N452 PolarHBondContact O-N 2.94Å; M449-N453 WeakPolarHBondContact CA-O 3.47Å; M449-N453 PolarHBondContact N-O 3.36Å; M449-L454 HydrophobicContact CG-CD1 4.11Å; M449-L454 HydrophobicContact SD-CD1 4.37Å
450	K	87.4	Confident	85.2	Confident	181 Å²	181	40.6 Å²	40.6	79%	0.787	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.2	171.6	-164.5	-167.4	172.9	-169	0	112	K447 M448 N452	K447-K450 CarbonylContact O-C 3.6Å; K447-K450 WeakPolarHBondContact O-CA 3.38Å; K447-K450 WeakPolarHBondContact O-CB 3.38Å; K447-K450 PolarHBondContact O-N 3.17Å; M448-K450 VanDerWaalsContact C-N 3.26Å; M448-K450 PolarHBondContact O-N 3.3Å; K450-N452 VanDerWaalsContact C-N 3.25Å; K450-N452 PolarHBondContact O-N 2.77Å
451	D	90	Very high	85.4	Confident	45 Å²	45	40.6 Å²	40.6	24%	0.241	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	28.8	171.1	-85.3	-43.4	0	0	0	112.7	K447 M448 M449 N453 K837 W841	K447-D451 PolarHBondContact O-N 3.41Å; M448-D451 CarbonylContact O-C 3.59Å; M448-D451 VanDerWaalsContact O-CA 3.23Å; M448-D451 WeakPolarHBondContact O-CA 3.31Å; M448-D451 WeakPolarHBondContact O-CB 3.44Å; M448-D451 PolarHBondContact O-N 3.12Å; M449-D451 VanDerWaalsContact C-N 3.34Å; D451-N453 PolarHBondContact O-N 3.43Å; D451-N453 VanDerWaalsContact O-N 3.12Å; D451-N453 PolarHBondContact O-ND2 3.17Å; D451-K837 HydrophobicContact CB-CD 3.72Å; D451-K837 WeakPolarHBondContact OD1-CD 3.46Å; D451-K837 WeakPolarHBondContact OD1-CE 3.39Å; D451-K837 IonicContact OD1-NZ 2.79Å; D451-K837 PolarHBondContact OD1-NZ 3.1Å; D451-W841 PolarHBondContact OD2-NE1 3.36Å
452	N	90.1	Very high	85.7	Confident	58 Å²	58	40.2 Å²	40.2	31%	0.31	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	14.7	177.1	-54.6	-22.6	0	0	0	116.4	M448 M449 K450 T828 D829	M448-N452 PolarHBondContact O-N 3.1Å; M449-N452 PolarHBondContact O-N 2.94Å; K450-N452 VanDerWaalsContact C-N 3.25Å; K450-N452 PolarHBondContact O-N 2.77Å; N452-T828 WeakPolarHBondContact CA-OG1 3.19Å; N452-T828 PolarHBondContact O-N 3.06Å; N452-T828 PolarHBondContact O-OG1 3.35Å; N452-D829 HydrophobicContact CB-CB 4.09Å; N452-D829 PolarHBondContact ND2-OD2 2.84Å
453	N	91.1	Very high	86.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.7	177	-75	-94.6	0	0	0	110.6	M448 M449 D451 V455 I825 L827 S834	M448-N453 CarbonylContact C-O 3.57Å; M448-N453 HydrophobicContact CB-CB 4.01Å; M448-N453 HydrophobicContact CE-CB 3.79Å; M448-N453 PolarHBondContact O-N 2.94Å; M449-N453 WeakPolarHBondContact CA-O 3.47Å; M449-N453 PolarHBondContact N-O 3.36Å; D451-N453 PolarHBondContact O-N 3.43Å; D451-N453 VanDerWaalsContact O-N 3.12Å; D451-N453 PolarHBondContact O-ND2 3.17Å; N453-V455 PolarHBondContact O-N 3.28Å; N453-I825 HydrophobicContact CB-CG2 4.14Å; N453-L827 VanDerWaalsContact OD1-CD2 3.3Å; N453-L827 WeakPolarHBondContact OD1-CD2 3.26Å; N453-S834 WeakPolarHBondContact ND2-CB 3.24Å; N453-S834 PolarHBondContact ND2-O 3.35Å; N453-S834 PolarHBondContact OD1-O 2.75Å
454	L	89.4	Confident	86.5	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96.7	177.2	-176.7	67	0	0	0	110.1	I189 E192 M449 I826 T828	I189-L454 HydrophobicContact CG1-CD1 3.84Å; I189-L454 HydrophobicContact CG1-CD2 4.11Å; I189-L454 HydrophobicContact CG1-CG 4.11Å; E192-L454 WeakPolarHBondContact OE2-CD2 3.32Å; M449-L454 HydrophobicContact CG-CD1 4.11Å; M449-L454 HydrophobicContact SD-CD1 4.37Å; L454-I826 HydrophobicContact CB-CB 4.28Å; L454-I826 PolarHBondContact N-O 2.85Å; L454-I826 PolarHBondContact O-N 2.99Å; L454-T828 HydrophobicContact CB-CG2 3.93Å
455	V	87.9	Confident	86.7	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.8	-179.6	-175.9	0	0	0	0	110.5	V445 M448 N453 H457 C461 I825	V445-V455 HydrophobicContact CG1-CB 3.91Å; V445-V455 HydrophobicContact CG1-CG2 4.39Å; V445-V455 HydrophobicContact CG2-CB 3.98Å; V445-V455 HydrophobicContact CG2-CG1 4.06Å; V445-V455 HydrophobicContact CG2-CG2 4.14Å; M448-V455 HydrophobicContact CB-CG2 4.41Å; M448-V455 HydrophobicContact CE-CG2 3.56Å; M448-V455 HydrophobicContact SD-CG2 4.01Å; N453-V455 PolarHBondContact O-N 3.28Å; V455-H457 WeakPolarHBondContact CG1-O 3.49Å; V455-C461 HydrophobicContact CG1-CB 4.47Å; V455-I825 HydrophobicContact CG1-CG1 4.37Å; V455-I825 HydrophobicContact CG2-CD1 4.29Å; V455-I825 HydrophobicContact CG2-CG1 4.2Å; V455-I825 HydrophobicContact CG2-CG2 4.38Å
456	R	83.1	Confident	87	Confident	70 Å²	70	40.6 Å²	40.6	26%	0.264	19%	0.191	S	C	.	.	S	Bend	trans	-90.4	-44.5	174.6	-60.1	176.2	71.2	-130.4	8.9	111.6	K820 E821 S823 D824 I826	R456-K820 PolarHBondContact NH1-O 2.93Å; R456-E821 PolarHBondContact NH1-O 2.86Å; R456-S823 PolarHBondContact NH1-O 3.02Å; R456-D824 WeakPolarHBondContact CB-O 3.29Å; R456-D824 PolarHBondContact N-O 3.11Å; R456-I826 HydrophobicContact CG-CD1 4.44Å
457	H	79.2	Confident	87.4	Confident	64 Å²	64	35.4 Å²	35.4	30%	0.296	17%	0.169	S	C	.	.	S	Bend	trans	-107.9	114.9	178.8	-68.3	-64.5	0	0	0	109.5	V455 D459 A460 D824	V455-H457 WeakPolarHBondContact CG1-O 3.49Å; H457-D459 PolarHBondContact O-N 3.37Å; H457-A460 WeakPolarHBondContact O-CB 3.44Å; H457-A460 PolarHBondContact O-N 3.28Å; H457-D824 HydrophobicContact CB-CB 4.11Å; H457-D824 IonicContact CD2-OD1 3.45Å; H457-D824 PolarHBondContact CD2-OD1 3.19Å; H457-D824 IonicContact CG-OD1 3.73Å; H457-D824 PolarHBondContact N-O 2.94Å
458	L	77.9	Confident	87.7	Confident	53 Å²	53	32.7 Å²	32.7	28%	0.277	16%	0.159	S	C	.	.	H	α-helix	trans	-65.7	-40.2	-165.8	-59.6	173.7	0	0	0	112.1	F182 L441 V445 A460 C461	F182-L458 HydrophobicContact CD1-CD1 4.1Å; F182-L458 HydrophobicContact CD1-CD2 4.33Å; F182-L458 HydrophobicContact CE1-CD1 3.38Å; F182-L458 HydrophobicContact CE1-CD2 3.8Å; F182-L458 HydrophobicContact CE1-CG 4.25Å; F182-L458 HydrophobicContact CZ-CD1 3.8Å; L441-L458 WeakPolarHBondContact CD1-O 3.32Å; L441-L458 HydrophobicContact CD2-CB 3.71Å; L441-L458 HydrophobicContact CG-CB 4.21Å; V445-L458 HydrophobicContact CG1-CD2 4.48Å; V445-L458 HydrophobicContact CG2-CD2 4.04Å; L458-A460 VanDerWaalsContact C-N 3.26Å; L458-A460 PolarHBondContact O-N 3.25Å; L458-C461 WeakPolarHBondContact O-CB 3.5Å; L458-C461 PolarHBondContact O-N 2.95Å; L458-C461 VanDerWaalsContact O-N 3.1Å
459	D	81.4	Confident	88	Confident	64 Å²	64	32.7 Å²	32.7	34%	0.342	16%	0.159	S	C	.	.	H	α-helix	trans	-53.9	-35.4	173.3	47.2	-67	0	0	0	113.2	S358 H457 C461 E462 T463	S358-D459 WeakPolarHBondContact OG-CB 3.34Å; H457-D459 PolarHBondContact O-N 3.37Å; D459-C461 PolarHBondContact O-N 3.34Å; D459-E462 WeakPolarHBondContact O-CB 3.43Å; D459-E462 PolarHBondContact O-N 3.15Å; D459-E462 VanDerWaalsContact O-N 3.08Å; D459-T463 PolarHBondContact O-N 3.35Å; D459-T463 PolarHBondContact O-OG1 3.04Å
460	A	87.6	Confident	88.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-24.7	176.7	0	0	0	0	0	113.5	H457 L458 M464 V807 D824	H457-A460 WeakPolarHBondContact O-CB 3.44Å; H457-A460 PolarHBondContact O-N 3.28Å; L458-A460 VanDerWaalsContact C-N 3.26Å; L458-A460 PolarHBondContact O-N 3.25Å; A460-M464 WeakPolarHBondContact O-CB 3.43Å; A460-M464 PolarHBondContact O-N 3.39Å; A460-V807 HydrophobicContact CB-CG1 4.23Å; A460-V807 HydrophobicContact CB-CG2 4.23Å; A460-D824 HydrophobicContact CB-CB 3.49Å; A460-D824 VanDerWaalsContact CB-CB 3.49Å
461	C	87.3	Confident	89	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-43.1	172.3	177.6	0	0	0	0	111.4	L441 V445 M448 V455 L458 D459 G842	L441-C461 HydrophobicContact CD1-CB 3.86Å; V445-C461 HydrophobicContact CG2-CB 4.32Å; M448-C461 HydrophobicContact SD-CB 4.31Å; M448-C461 PolarHBondContact SD-SG 3.26Å; V455-C461 HydrophobicContact CG1-CB 4.47Å; L458-C461 WeakPolarHBondContact O-CB 3.5Å; L458-C461 PolarHBondContact O-N 2.95Å; L458-C461 VanDerWaalsContact O-N 3.1Å; D459-C461 PolarHBondContact O-N 3.34Å; C461-G842 WeakPolarHBondContact O-CA 3.39Å
462	E	87.5	Confident	89.2	Confident	7 Å²	7	19.1 Å²	19.1	3%	0.033	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-52.2	174	-178.5	-160	132.6	0	0	110.6	S358 L360 D459 M464 G465	S358-E462 PolarHBondContact OG-OE2 3.17Å; L360-E462 HydrophobicContact CB-CG 4.37Å; L360-E462 WeakPolarHBondContact CB-OE1 3.39Å; L360-E462 WeakPolarHBondContact CB-OE2 3.36Å; L360-E462 PolarHBondContact N-OE1 3.08Å; D459-E462 WeakPolarHBondContact O-CB 3.43Å; D459-E462 PolarHBondContact O-N 3.15Å; D459-E462 VanDerWaalsContact O-N 3.08Å; E462-M464 VanDerWaalsContact C-N 3.25Å; E462-M464 PolarHBondContact O-N 3.08Å; E462-G465 PolarHBondContact O-N 2.98Å
463	T	89.4	Confident	89.1	Confident	23 Å²	23	17 Å²	17	14%	0.141	9%	0.085	C	C	.	.	H	α-helix	trans	-57.1	-38.3	-175.4	-57	0	0	0	0	112.1	D459 G465 N466 V788 D806 V807	D459-T463 PolarHBondContact O-N 3.35Å; D459-T463 PolarHBondContact O-OG1 3.04Å; T463-G465 PolarHBondContact O-N 2.83Å; T463-N466 PolarHBondContact O-N 3.19Å; T463-V788 HydrophobicContact CG2-CG1 3.83Å; T463-D806 HydrophobicContact CG2-CB 3.84Å; T463-D806 WeakPolarHBondContact CG2-O 3.45Å; T463-V807 HydrophobicContact CG2-CG2 3.89Å
464	M	91.8	Very high	88.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-24.8	177.6	-165.3	59.2	-175.3	0	0	113.8	A460 E462 N466 A467 I470 A790 V807 F809 I835 A838 V839	A460-M464 WeakPolarHBondContact O-CB 3.43Å; A460-M464 PolarHBondContact O-N 3.39Å; E462-M464 VanDerWaalsContact C-N 3.25Å; E462-M464 PolarHBondContact O-N 3.08Å; M464-N466 PolarHBondContact O-N 2.97Å; M464-A467 HydrophobicContact CE-CB 4.23Å; M464-A467 WeakPolarHBondContact O-CB 3.3Å; M464-A467 PolarHBondContact O-N 3.36Å; M464-A467 HydrophobicContact SD-CB 3.9Å; M464-I470 HydrophobicContact CE-CD1 4.36Å; M464-I470 HydrophobicContact CE-CG1 4.44Å; M464-A790 HydrophobicContact CE-CB 3.86Å; M464-A790 HydrophobicContact SD-CB 3.77Å; M464-V807 HydrophobicContact CB-CG2 4.16Å; M464-V807 HydrophobicContact SD-CB 4.25Å; M464-V807 HydrophobicContact SD-CG1 4.26Å; M464-V807 HydrophobicContact SD-CG2 4.25Å; M464-F809 HydrophobicContact CE-CE2 3.55Å; M464-F809 HydrophobicContact CE-CZ 3.68Å; M464-F809 HydrophobicContact CG-CE2 4.43Å; M464-F809 HydrophobicContact CG-CZ 4.04Å; M464-F809 HydrophobicContact SD-CE2 3.55Å; M464-F809 VanDerWaalsContact SD-CE2 3.55Å; M464-F809 HydrophobicContact SD-CZ 3.76Å; M464-I835 HydrophobicContact CE-CG2 3.45Å; M464-I835 VanDerWaalsContact CE-CG2 3.45Å; M464-A838 HydrophobicContact CG-CB 4.12Å; M464-V839 HydrophobicContact CE-CG2 3.47Å; M464-V839 VanDerWaalsContact CE-CG2 3.47Å; M464-V839 HydrophobicContact CG-CG2 4.06Å; M464-V839 HydrophobicContact SD-CG2 4.41Å
465	G	90.6	Very high	88.4	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-27.5	174.1	0	0	0	0	0	113.3	E462 T463 R843	E462-G465 PolarHBondContact O-N 2.98Å; T463-G465 PolarHBondContact O-N 2.83Å; G465-R843 WeakPolarHBondContact O-CG 3.36Å; G465-R843 PolarHBondContact O-NE 3.21Å; G465-R843 VanDerWaalsContact O-NE 3.11Å
466	N	90.8	Very high	87.7	Confident	19 Å²	19	18.6 Å²	18.6	10%	0.102	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1	-175.9	-59.7	-35	0	0	0	113.6	T463 M464 T468 V788 P913 Y914	T463-N466 PolarHBondContact O-N 3.19Å; M464-N466 PolarHBondContact O-N 2.97Å; N466-T468 PolarHBondContact O-N 2.93Å; N466-V788 HydrophobicContact CB-CG2 4.27Å; N466-V788 WeakPolarHBondContact O-CB 3.48Å; N466-P913 WeakPolarHBondContact O-CB 3.25Å; N466-Y914 WeakPolarHBondContact CB-O 3.39Å; N466-Y914 WeakPolarHBondContact OD1-CB 3.37Å; N466-Y914 PolarHBondContact OD1-O 3.39Å
467	A	92.4	Very high	87.6	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.			trans	-50.9	128.6	-178.9	0	0	0	0	0	112.8	M464 I699	M464-A467 HydrophobicContact CE-CB 4.23Å; M464-A467 WeakPolarHBondContact O-CB 3.3Å; M464-A467 PolarHBondContact O-N 3.36Å; M464-A467 HydrophobicContact SD-CB 3.9Å; A467-I699 HydrophobicContact CB-CD1 4.47Å; A467-I699 WeakPolarHBondContact O-CG1 3.46Å
468	T	93.5	Very high	88	Confident	24 Å²	24	12.2 Å²	12.2	15%	0.147	7%	0.068	C	C	.	.			trans	-108.4	-25.1	176.8	66.8	0	0	0	0	112.1	N466 I699 T700 Q787 V788 P913	N466-T468 PolarHBondContact O-N 2.93Å; T468-I699 WeakPolarHBondContact O-CA 3.4Å; T468-T700 PolarHBondContact O-N 3.3Å; T468-Q787 PolarHBondContact OG1-OE1 2.68Å; T468-V788 PolarHBondContact N-O 2.97Å; T468-V788 PolarHBondContact OG1-N 2.86Å; T468-V788 VanDerWaalsContact OG1-N 3.12Å; T468-V788 PolarHBondContact OG1-O 2.97Å; T468-P913 HydrophobicContact CG2-CG 3.95Å
469	A	94.6	Very high	88.4	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.4	177.4	0	0	0	0	0	111.6	T700 V788 V789 A790	A469-T700 WeakPolarHBondContact CA-O 3.35Å; A469-V788 PolarHBondContact N-O 3.41Å; A469-V789 HydrophobicContact CB-CG2 4.44Å; A469-A790 PolarHBondContact O-N 3.37Å
470	I	96.9	Very high	88.4	Confident	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.3	167.9	-63.9	165.6	0	0	0	107.6	M464 I699 T700 V701 R702 A790 T792 F832 I835	M464-I470 HydrophobicContact CE-CD1 4.36Å; M464-I470 HydrophobicContact CE-CG1 4.44Å; I470-I699 HydrophobicContact CD1-CG2 3.78Å; I470-I699 HydrophobicContact CG1-CG2 3.78Å; I470-T700 PolarHBondContact N-O 2.92Å; I470-V701 CarbonylContact O-C 3.58Å; I470-V701 WeakPolarHBondContact O-CA 3.33Å; I470-R702 PolarHBondContact O-N 3.02Å; I470-A790 CarbonylContact C-O 3.59Å; I470-A790 WeakPolarHBondContact CA-O 3.38Å; I470-A790 HydrophobicContact CG1-CB 4.18Å; I470-T792 HydrophobicContact CG2-CG2 4.28Å; I470-F832 HydrophobicContact CD1-CZ 4.33Å; I470-F832 HydrophobicContact CG2-CE2 4.13Å; I470-F832 HydrophobicContact CG2-CZ 4.33Å; I470-I835 HydrophobicContact CD1-CG2 4.12Å
471	C	96	Very high	87.9	Confident	4 Å²	4	9.6 Å²	9.6	3%	0.027	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	97.8	171.8	-71.8	0	0	0	0	108.8	V704 V774 A790 V791 T792	C471-V704 HydrophobicContact CB-CG2 4.18Å; C471-V774 HydrophobicContact CB-CG2 4.42Å; C471-A790 PolarHBondContact N-O 3.33Å; C471-V791 HydrophobicContact CB-CG2 4.31Å; C471-V791 CarbonylContact O-C 3.55Å; C471-V791 VanDerWaalsContact O-CA 3.32Å; C471-V791 WeakPolarHBondContact O-CA 3.33Å; C471-T792 PolarHBondContact O-N 3.07Å
472	S	93.8	Very high	87.6	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.007	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.2	-174.6	-173.1	0	0	0	0	111.1	R702 M703 V704 T792	S472-R702 PolarHBondContact N-O 3.38Å; S472-M703 WeakPolarHBondContact O-CA 3.16Å; S472-V704 PolarHBondContact O-N 2.9Å; S472-T792 VanDerWaalsContact CA-OG1 3.32Å; S472-T792 WeakPolarHBondContact CA-OG1 3.34Å; S472-T792 PolarHBondContact OG-OG1 2.85Å
473	D	89.3	Confident	87.5	Confident	12 Å²	12	13 Å²	13	6%	0.064	7%	0.07	C	C	.	.			trans	-67	158.7	156.3	-158.3	90.6	0	0	0	109.7	T475 V704 K770 T792	D473-T475 PolarHBondContact OD2-N 2.83Å; D473-T475 PolarHBondContact OD2-OG1 3.46Å; D473-V704 WeakPolarHBondContact CA-O 3.18Å; D473-V704 VanDerWaalsContact OD1-O 3.04Å; D473-K770 IonicContact OD1-NZ 3.22Å; D473-K770 PolarHBondContact OD1-NZ 3.39Å; D473-T792 PolarHBondContact N-O 3.19Å; D473-T792 PolarHBondContact N-OG1 3.29Å
474	K	87	Confident	87.5	Confident	15 Å²	15	13.1 Å²	13.1	7%	0.065	7%	0.07	C	C	.	.	S	Bend	trans	-80.7	-46.6	175.6	-179.8	-120.3	60.4	-171	0	110.9	L478 T479 M703 T705 D707 I715	K474-L478 PolarHBondContact O-N 3Å; K474-L478 VanDerWaalsContact O-N 3.14Å; K474-T479 HydrophobicContact CD-CG2 4.17Å; K474-T479 HydrophobicContact CG-CG2 4.1Å; K474-T479 PolarHBondContact O-N 3.08Å; K474-T479 PolarHBondContact O-OG1 3.1Å; K474-T479 VanDerWaalsContact O-OG1 3.04Å; K474-M703 HydrophobicContact CB-CE 4.27Å; K474-M703 HydrophobicContact CB-CG 4.08Å; K474-M703 HydrophobicContact CB-SD 3.9Å; K474-M703 HydrophobicContact CG-CE 4.06Å; K474-M703 HydrophobicContact CG-SD 4.06Å; K474-T705 HydrophobicContact CB-CG2 4.27Å; K474-D707 VanDerWaalsContact CD-OD2 3.3Å; K474-D707 WeakPolarHBondContact CD-OD2 3.45Å; K474-D707 WeakPolarHBondContact CE-OD2 3.43Å; K474-D707 IonicContact NZ-OD2 2.91Å; K474-D707 PolarHBondContact NZ-OD2 3.1Å; K474-I715 HydrophobicContact CD-CG1 4.39Å; K474-I715 HydrophobicContact CD-CG2 4.46Å; K474-I715 HydrophobicContact CG-CB 4.4Å; K474-I715 HydrophobicContact CG-CG2 3.84Å
475	T	79	Confident	87.6	Confident	33 Å²	33	13.3 Å²	13.3	20%	0.202	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	144.1	-174.8	-40.7	0	0	0	0	109.8	D473 T477 N481	D473-T475 PolarHBondContact OD2-N 2.83Å; D473-T475 PolarHBondContact OD2-OG1 3.46Å; T475-T477 PolarHBondContact O-N 3.37Å; T475-N481 WeakPolarHBondContact CG2-OD1 3.41Å
476	G	73.6	Confident	87.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-52.7	-177	0	0	0	0	0	113.3	T479 R684	G476-T479 CarbonylContact C-O 3.45Å; G476-R684 PolarHBondContact O-NH2 3.03Å
477	T	80.2	Confident	87.8	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-62.8	-172.4	-46.8	0	0	0	0	112.9	T475 R684 T792 M811 F832	T475-T477 PolarHBondContact O-N 3.37Å; T477-R684 WeakPolarHBondContact O-CD 3.47Å; T477-R684 PolarHBondContact O-NE 3.38Å; T477-T792 HydrophobicContact CG2-CG2 4.13Å; T477-T792 WeakPolarHBondContact CG2-OG1 3.44Å; T477-T792 PolarHBondContact OG1-OG1 3.15Å; T477-M811 HydrophobicContact CG2-CE 3.96Å; T477-M811 HydrophobicContact CG2-SD 4.35Å; T477-M811 WeakPolarHBondContact OG1-CE 3.42Å; T477-F832 HydrophobicContact CG2-CD2 3.88Å
478	L	87.9	Confident	88	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-31.9	-173.5	-60.3	178.5	0	0	0	112.2	K474 R684 V687 I691 M703 I721 F832	K474-L478 PolarHBondContact O-N 3Å; K474-L478 VanDerWaalsContact O-N 3.14Å; L478-R684 PolarHBondContact O-N 3.45Å; L478-R684 VanDerWaalsContact O-N 3.12Å; L478-V687 HydrophobicContact CB-CG1 4.47Å; L478-V687 HydrophobicContact CD2-CG1 3.87Å; L478-I691 HydrophobicContact CD2-CD1 4.17Å; L478-M703 HydrophobicContact CD1-CE 4.03Å; L478-I721 HydrophobicContact CD1-CD1 3.95Å; L478-F832 HydrophobicContact CD2-CD2 3.56Å; L478-F832 HydrophobicContact CD2-CE2 3.89Å; L478-F832 HydrophobicContact CD2-CG 4.06Å
479	T	86.5	Confident	88	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-102.3	165.6	175.4	60.5	0	0	0	0	111.7	K474 G476 N481 D681 P682 R684 I715	K474-T479 HydrophobicContact CD-CG2 4.17Å; K474-T479 HydrophobicContact CG-CG2 4.1Å; K474-T479 PolarHBondContact O-N 3.08Å; K474-T479 PolarHBondContact O-OG1 3.1Å; K474-T479 VanDerWaalsContact O-OG1 3.04Å; G476-T479 CarbonylContact C-O 3.45Å; T479-N481 PolarHBondContact O-N 3.29Å; T479-D681 WeakPolarHBondContact CB-OD2 2.99Å; T479-D681 VanDerWaalsContact CG2-O 3.29Å; T479-D681 WeakPolarHBondContact CG2-O 3.24Å; T479-D681 VanDerWaalsContact OG1-CG 3.25Å; T479-D681 PolarHBondContact OG1-OD2 2.78Å; T479-P682 CarbonylContact C-O 3.59Å; T479-P682 WeakPolarHBondContact CA-O 3.26Å; T479-P682 WeakPolarHBondContact CB-O 3.23Å; T479-R684 PolarHBondContact O-NE 2.88Å; T479-R684 VanDerWaalsContact O-NE 3.09Å; T479-I715 HydrophobicContact CG2-CG2 4.19Å
480	T	81.9	Confident	87.9	Confident	29 Å²	29	15.3 Å²	15.3	18%	0.178	8%	0.08	C	C	.	.			trans	-72.3	-6.3	-179.1	60.3	0	0	0	0	114.8	R482 L535 D681 P682 R684	T480-R482 PolarHBondContact O-N 3.11Å; T480-L535 HydrophobicContact CG2-CD1 4.17Å; T480-D681 PolarHBondContact N-OD1 3.19Å; T480-D681 PolarHBondContact OG1-OD1 3.45Å; T480-P682 HydrophobicContact CG2-CG 4.29Å; T480-P682 PolarHBondContact N-O 3.12Å; T480-P682 WeakPolarHBondContact OG1-CD 3.41Å; T480-P682 WeakPolarHBondContact OG1-CG 3.36Å; T480-R684 HydrophobicContact CG2-CG 4.01Å
481	N	77	Confident	87.5	Confident	33 Å²	33	15.7 Å²	15.7	18%	0.176	8%	0.084	C	C	.	.	S	Bend	trans	55.6	29.5	-171.2	-148.5	-16.4	0	0	0	112.9	T475 T479 K542 D681 D794	T475-N481 WeakPolarHBondContact CG2-OD1 3.41Å; T479-N481 PolarHBondContact O-N 3.29Å; N481-K542 VanDerWaalsContact CG-NZ 3.28Å; N481-K542 PolarHBondContact O-NZ 3.36Å; N481-K542 PolarHBondContact OD1-NZ 2.93Å; N481-D681 WeakPolarHBondContact CA-OD1 3.12Å; N481-D681 VanDerWaalsContact CA-OD2 3.3Å; N481-D681 WeakPolarHBondContact CA-OD2 3.4Å; N481-D681 PolarHBondContact N-OD1 3.18Å; N481-D681 PolarHBondContact N-OD2 3.12Å; N481-D794 PolarHBondContact ND2-OD2 2.74Å
482	R	80.2	Confident	87.1	Confident	42 Å²	42	18 Å²	18	16%	0.158	10%	0.096	C	C	.	.			trans	-133.6	105.7	-173.8	177.3	-169.1	155.2	125.9	-7.6	108.2	T480 T484 P536 Q538 D681 P682	T480-R482 PolarHBondContact O-N 3.11Å; R482-T484 HydrophobicContact CG-CG2 4.42Å; R482-T484 PolarHBondContact O-N 2.88Å; R482-P536 PolarHBondContact NH1-O 3.06Å; R482-Q538 VanDerWaalsContact CG-CD 3.49Å; R482-Q538 HydrophobicContact CG-CG 4.05Å; R482-D681 PolarHBondContact N-OD1 3.45Å; R482-P682 VanDerWaalsContact O-CD 3.23Å; R482-P682 WeakPolarHBondContact O-CD 3.33Å
483	M	84.9	Confident	87	Confident	37 Å²	37	20.9 Å²	20.9	18%	0.182	11%	0.113	C	C	.	.			trans	-67.6	137.4	179.3	-55.7	-64.9	-66.2	0	0	110.1	Q538 K542 A546 I679 E680 D681	M483-Q538 PolarHBondContact O-NE2 2.98Å; M483-K542 HydrophobicContact CB-CB 4.19Å; M483-K542 WeakPolarHBondContact CB-O 3.47Å; M483-K542 HydrophobicContact CG-CB 3.61Å; M483-A546 HydrophobicContact CB-CB 3.9Å; M483-A546 WeakPolarHBondContact O-CA 3.44Å; M483-A546 VanDerWaalsContact O-CB 3.31Å; M483-A546 WeakPolarHBondContact O-CB 3.2Å; M483-I679 HydrophobicContact CB-CG2 3.87Å; M483-I679 HydrophobicContact CE-CG2 3.8Å; M483-E680 CarbonylContact C-O 3.55Å; M483-E680 WeakPolarHBondContact CA-O 3.46Å; M483-D681 HydrophobicContact SD-CB 3.86Å
484	T	90.2	Very high	87.2	Confident	26 Å²	26	22.9 Å²	22.9	16%	0.16	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.4	-179	55.2	0	0	0	0	110.4	R482 I679 E680 P682	R482-T484 HydrophobicContact CG-CG2 4.42Å; R482-T484 PolarHBondContact O-N 2.88Å; T484-I679 CarbonylContact O-C 3.15Å; T484-I679 VanDerWaalsContact O-CA 3.25Å; T484-I679 WeakPolarHBondContact O-CA 3.42Å; T484-I679 VanDerWaalsContact O-CG2 3.29Å; T484-I679 WeakPolarHBondContact O-CG2 3.06Å; T484-E680 PolarHBondContact N-O 2.84Å; T484-E680 PolarHBondContact O-N 3.45Å; T484-E680 PolarHBondContact OG1-O 2.81Å; T484-P682 HydrophobicContact CG2-CG 4.5Å
485	V	93.9	Very high	87.4	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.3	168.1	173	0	0	0	0	107.6	L547 F550 V677 I679	V485-L547 HydrophobicContact CG2-CD2 4.25Å; V485-F550 HydrophobicContact CB-CB 3.95Å; V485-F550 HydrophobicContact CB-CD2 3.8Å; V485-F550 HydrophobicContact CB-CE2 4.43Å; V485-F550 HydrophobicContact CB-CG 3.9Å; V485-F550 HydrophobicContact CG1-CD1 4.31Å; V485-F550 HydrophobicContact CG1-CD2 3.58Å; V485-F550 HydrophobicContact CG1-CE1 4.41Å; V485-F550 HydrophobicContact CG1-CE2 3.7Å; V485-F550 HydrophobicContact CG1-CG 3.91Å; V485-F550 HydrophobicContact CG1-CZ 4.12Å; V485-F550 HydrophobicContact CG2-CB 3.8Å; V485-F550 HydrophobicContact CG2-CD1 4.39Å; V485-F550 HydrophobicContact CG2-CD2 4.41Å; V485-F550 HydrophobicContact CG2-CG 3.99Å; V485-V677 HydrophobicContact CG1-CB 3.92Å; V485-V677 HydrophobicContact CG1-CG1 4.06Å; V485-V677 HydrophobicContact CG2-CB 4.15Å; V485-V677 HydrophobicContact CG2-CG2 4.23Å; V485-I679 HydrophobicContact CG2-CG1 4Å
486	V	91.7	Very high	88	Confident	43 Å²	43	30 Å²	30	26%	0.261	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-39	179.8	176.3	0	0	0	0	111.3	K496 E497 G678 E680	V486-K496 CarbonylContact O-C 3.59Å; V486-E497 WeakPolarHBondContact O-CA 3.47Å; V486-G678 PolarHBondContact N-O 3.41Å; V486-E680 HydrophobicContact CB-CG 4.24Å; V486-E680 HydrophobicContact CG2-CG 3.61Å
487	Q	94.5	Very high	88.7	Confident	15 Å²	15	37.6 Å²	37.6	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.4	173.8	-55.6	-169.4	14	0	0	111.1	H494 Y495 M638 D641 L643 G678	Q487-H494 PolarHBondContact OE1-CE1 2.78Å; Q487-H494 PolarHBondContact OE1-NE2 3.06Å; Q487-Y495 WeakPolarHBondContact CA-O 3.5Å; Q487-M638 HydrophobicContact CB-CE 3.9Å; Q487-D641 PolarHBondContact NE2-OD2 3.2Å; Q487-L643 HydrophobicContact CB-CD1 3.94Å; Q487-L643 VanDerWaalsContact CD-CD1 3.49Å; Q487-L643 HydrophobicContact CG-CD1 3.57Å; Q487-G678 PolarHBondContact N-O 2.84Å; Q487-G678 PolarHBondContact O-N 3.02Å
488	S	94.8	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.4	175.3	62.5	0	0	0	0	112.7	Y495 V676	S488-Y495 PolarHBondContact N-O 2.76Å; S488-Y495 PolarHBondContact O-N 2.75Å; S488-V676 CarbonylContact C-O 3.53Å; S488-V676 WeakPolarHBondContact CA-O 3.47Å
489	Y	94.6	Very high	89.2	Confident	29 Å²	29	41 Å²	41	11%	0.114	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116	168.1	-172.6	-83.7	0	0	0	108.6	D492 T493 H494 I612 M630 I634 A675 V676	Y489-D492 WeakPolarHBondContact OH-CA 3.24Å; Y489-D492 PolarHBondContact OH-O 3.02Å; Y489-T493 WeakPolarHBondContact CA-O 3.38Å; Y489-H494 HydrophobicContact CD2-CB 4.05Å; Y489-I612 HydrophobicContact CE1-CD1 4.25Å; Y489-M630 HydrophobicContact CD1-CE 4.07Å; Y489-M630 HydrophobicContact CD1-SD 3.99Å; Y489-M630 HydrophobicContact CD2-SD 4.15Å; Y489-M630 HydrophobicContact CE1-CE 3.47Å; Y489-M630 VanDerWaalsContact CE1-CE 3.47Å; Y489-M630 HydrophobicContact CE1-SD 3.85Å; Y489-M630 HydrophobicContact CE2-CE 4.43Å; Y489-M630 HydrophobicContact CE2-SD 4.01Å; Y489-M630 HydrophobicContact CG-SD 4.13Å; Y489-I634 HydrophobicContact CD2-CD1 3.9Å; Y489-I634 HydrophobicContact CD2-CG1 3.85Å; Y489-I634 HydrophobicContact CD2-CG2 4.07Å; Y489-I634 HydrophobicContact CE2-CD1 3.97Å; Y489-I634 HydrophobicContact CE2-CG1 4Å; Y489-I634 HydrophobicContact CG-CG2 4.44Å; Y489-A675 WeakPolarHBondContact O-CA 3.49Å; Y489-V676 PolarHBondContact N-O 3.26Å; Y489-V676 PolarHBondContact O-N 2.98Å
490	L	92.3	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.8	-172.9	-73.4	169.7	0	0	0	109.4	D492 T493 Y495 P499 L504 I508 L512 F550 A675	L490-D492 PolarHBondContact O-N 3.21Å; L490-T493 PolarHBondContact N-O 3.33Å; L490-T493 PolarHBondContact O-N 2.89Å; L490-Y495 HydrophobicContact CB-CD2 4.44Å; L490-Y495 HydrophobicContact CB-CE2 4.18Å; L490-P499 HydrophobicContact CD1-CG 4.36Å; L490-L504 HydrophobicContact CB-CD2 3.95Å; L490-L504 HydrophobicContact CD1-CD1 4Å; L490-L504 HydrophobicContact CD1-CD2 3.97Å; L490-I508 HydrophobicContact CD2-CG2 4.5Å; L490-L512 HydrophobicContact CD1-CD2 4.38Å; L490-L512 HydrophobicContact CD2-CD2 4.07Å; L490-F550 HydrophobicContact CD1-CE1 4.37Å; L490-F550 HydrophobicContact CD1-CZ 3.99Å; L490-A675 HydrophobicContact CD2-CB 3.47Å; L490-A675 VanDerWaalsContact CD2-CB 3.47Å; L490-A675 HydrophobicContact CG-CB 4.4Å
491	G	88.3	Confident	89.5	Confident	8 Å²	8	44.5 Å²	44.5	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	51.5	174	0	0	0	0	0	113.5	T493	G491-T493 PolarHBondContact O-N 3.01Å; G491-T493 VanDerWaalsContact O-N 3.09Å; G491-T493 PolarHBondContact O-OG1 3.01Å
492	D	87.9	Confident	89.9	Confident	53 Å²	53	48.6 Å²	48.6	28%	0.283	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	7.2	-173	-69.7	-58	0	0	0	117	Y489 L490 N614 R620	Y489-D492 WeakPolarHBondContact OH-CA 3.24Å; Y489-D492 PolarHBondContact OH-O 3.02Å; L490-D492 PolarHBondContact O-N 3.21Å; D492-N614 WeakPolarHBondContact OD2-CA 3.39Å; D492-R620 IonicContact OD1-CZ 3.83Å; D492-R620 VanDerWaalsContact OD1-CZ 3.24Å; D492-R620 IonicContact OD1-NH1 2.83Å; D492-R620 PolarHBondContact OD1-NH1 2.83Å; D492-R620 IonicContact OD1-NH2 3.4Å; D492-R620 PolarHBondContact OD1-NH2 2.79Å; D492-R620 IonicContact OD2-CZ 2.68Å; D492-R620 IonicContact OD2-NH1 2.74Å; D492-R620 PolarHBondContact OD2-NH1 3.41Å; D492-R620 IonicContact OD2-NH2 2.68Å
493	T	90.9	Very high	90.2	Very high	60 Å²	60	49.1 Å²	49.1	37%	0.368	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.6	-175.5	-54.8	0	0	0	0	112.3	Y489 L490 G491 Y495	Y489-T493 WeakPolarHBondContact CA-O 3.38Å; L490-T493 PolarHBondContact N-O 3.33Å; L490-T493 PolarHBondContact O-N 2.89Å; G491-T493 PolarHBondContact O-N 3.01Å; G491-T493 VanDerWaalsContact O-N 3.09Å; G491-T493 PolarHBondContact O-OG1 3.01Å; T493-Y495 HydrophobicContact CG2-CD1 4.23Å; T493-Y495 HydrophobicContact CG2-CD2 4.18Å; T493-Y495 HydrophobicContact CG2-CE1 3.79Å; T493-Y495 HydrophobicContact CG2-CE2 3.73Å; T493-Y495 HydrophobicContact CG2-CG 4.42Å
494	H	93.1	Very high	90.3	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.255	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.7	171	-178.5	-166.4	0	0	0	110.4	Q487 Y489 I634 M638	Q487-H494 PolarHBondContact OE1-CE1 2.78Å; Q487-H494 PolarHBondContact OE1-NE2 3.06Å; Y489-H494 HydrophobicContact CD2-CB 4.05Å; H494-I634 HydrophobicContact CB-CD1 3.97Å; H494-M638 WeakPolarHBondContact NE2-CE 3.15Å
495	Y	92.7	Very high	90.3	Very high	54 Å²	54	49 Å²	49	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.1	173.3	-58	-83.3	0	0	0	110	Q487 S488 L490 T493 E497 P499 L504	Q487-Y495 WeakPolarHBondContact CA-O 3.5Å; S488-Y495 PolarHBondContact N-O 2.76Å; S488-Y495 PolarHBondContact O-N 2.75Å; L490-Y495 HydrophobicContact CB-CD2 4.44Å; L490-Y495 HydrophobicContact CB-CE2 4.18Å; T493-Y495 HydrophobicContact CG2-CD1 4.23Å; T493-Y495 HydrophobicContact CG2-CD2 4.18Å; T493-Y495 HydrophobicContact CG2-CE1 3.79Å; T493-Y495 HydrophobicContact CG2-CE2 3.73Å; T493-Y495 HydrophobicContact CG2-CG 4.42Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 VanDerWaalsContact CB-O 3.28Å; Y495-E497 WeakPolarHBondContact CB-O 3.29Å; Y495-P499 HydrophobicContact CD1-CB 3.77Å; Y495-P499 HydrophobicContact CD1-CG 4.4Å; Y495-P499 HydrophobicContact CD2-CB 4.24Å; Y495-P499 HydrophobicContact CD2-CG 4.05Å; Y495-P499 HydrophobicContact CE1-CB 3.84Å; Y495-P499 HydrophobicContact CE2-CB 4.3Å; Y495-P499 HydrophobicContact CE2-CG 4.32Å; Y495-P499 HydrophobicContact CG-CB 3.97Å; Y495-P499 HydrophobicContact CG-CG 4.08Å; Y495-L504 HydrophobicContact CE2-CD2 4.43Å
496	K	90	Very high	90.1	Very high	143 Å²	143	53 Å²	53	62%	0.622	30%	0.302	S	S	*	.	S	Bend	trans	-84.5	-9.9	175.6	-68.4	-164	174.8	-162	0	114.2	V486	V486-K496 CarbonylContact O-C 3.59Å
497	E	89.1	Confident	90	Very high	160 Å²	160	57 Å²	57	75%	0.748	32%	0.316	S	S	*	.	S	Bend	trans	-132.8	172.4	173.8	-64.2	178.2	-179.4	0	0	107.6	V486 Y495 P499	V486-E497 WeakPolarHBondContact O-CA 3.47Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 VanDerWaalsContact CB-O 3.28Å; Y495-E497 WeakPolarHBondContact CB-O 3.29Å; E497-P499 WeakPolarHBondContact O-CD 3.19Å
498	I	88.8	Confident	89.9	Confident	61 Å²	61	56.3 Å²	56.3	31%	0.313	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-71.6	122.3	178.8	-61.9	174.2	0	0	0	109.4	F550 D553 L554	I498-F550 HydrophobicContact CD1-CD2 4.35Å; I498-F550 HydrophobicContact CG1-CD2 4.22Å; I498-F550 HydrophobicContact CG1-CE2 4.19Å; I498-F550 HydrophobicContact CG2-CD2 4.22Å; I498-F550 HydrophobicContact CG2-CE2 3.99Å; I498-D553 HydrophobicContact CD1-CB 3.66Å; I498-D553 HydrophobicContact CG2-CB 4.15Å; I498-L554 HydrophobicContact CG2-CD2 4.09Å; I498-L554 HydrophobicContact CG2-CG 4.42Å
499	P	90.7	Very high	89.7	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.071	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-68.2	149	-179	26.5	-33.2	0	0	0	112.1	L490 Y495 E497 A503 L504 L554	L490-P499 HydrophobicContact CD1-CG 4.36Å; Y495-P499 HydrophobicContact CD1-CB 3.77Å; Y495-P499 HydrophobicContact CD1-CG 4.4Å; Y495-P499 HydrophobicContact CD2-CB 4.24Å; Y495-P499 HydrophobicContact CD2-CG 4.05Å; Y495-P499 HydrophobicContact CE1-CB 3.84Å; Y495-P499 HydrophobicContact CE2-CB 4.3Å; Y495-P499 HydrophobicContact CE2-CG 4.32Å; Y495-P499 HydrophobicContact CG-CB 3.97Å; Y495-P499 HydrophobicContact CG-CG 4.08Å; E497-P499 WeakPolarHBondContact O-CD 3.19Å; P499-A503 HydrophobicContact CB-CB 4.48Å; P499-L504 HydrophobicContact CG-CD1 4.29Å; P499-L504 HydrophobicContact CG-CD2 4.48Å; P499-L504 HydrophobicContact CG-CG 4.5Å; P499-L554 HydrophobicContact CG-CD2 4.16Å; P499-L554 WeakPolarHBondContact O-CD2 3.13Å
500	A	87.9	Confident	89.6	Confident	56 Å²	56	58.5 Å²	58.5	46%	0.463	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-62.6	144.7	169.8	0	0	0	0	0	110.4	S502 A503	A500-S502 PolarHBondContact O-N 3.03Å; A500-S502 VanDerWaalsContact O-N 3.08Å; A500-A503 WeakPolarHBondContact O-CB 3.29Å; A500-A503 PolarHBondContact O-N 3.39Å
501	P	86.5	Confident	89.6	Confident	46 Å²	46	59.6 Å²	59.6	30%	0.299	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-60.6	-26.4	-175.6	-24.4	34.8	0	0	0	113.9	A503 L504 L509 L554 K555	P501-A503 VanDerWaalsContact C-N 3.27Å; P501-A503 PolarHBondContact O-N 3.31Å; P501-L504 PolarHBondContact O-N 3.45Å; P501-L509 HydrophobicContact CB-CD2 4.46Å; P501-L554 WeakPolarHBondContact CG-O 3.48Å; P501-K555 HydrophobicContact CG-CB 4.03Å; P501-K555 HydrophobicContact CG-CG 3.92Å
502	S	85.1	Confident	89.9	Confident	118 Å²	118	59.2 Å²	59.2	83%	0.825	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-71.8	-13.1	175.1	50.1	0	0	0	0	114.7	A500 L504	A500-S502 PolarHBondContact O-N 3.03Å; A500-S502 VanDerWaalsContact O-N 3.08Å; S502-L504 VanDerWaalsContact C-N 3.33Å
503	A	86.8	Confident	90.3	Very high	53 Å²	53	57.1 Å²	57.1	44%	0.438	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-85.5	-5.2	174.5	0	0	0	0	0	113	P499 A500 P501	P499-A503 HydrophobicContact CB-CB 4.48Å; A500-A503 WeakPolarHBondContact O-CB 3.29Å; A500-A503 PolarHBondContact O-N 3.39Å; P501-A503 VanDerWaalsContact C-N 3.27Å; P501-A503 PolarHBondContact O-N 3.31Å
504	L	87.6	Confident	90.4	Very high	11 Å²	11	57.4 Å²	57.4	6%	0.058	32%	0.315	C	S	.	.	S	Bend	trans	-113.1	128.8	-179.1	-60.8	177.4	0	0	0	110.6	L490 Y495 P499 P501 S502 L509 L554	L490-L504 HydrophobicContact CB-CD2 3.95Å; L490-L504 HydrophobicContact CD1-CD1 4Å; L490-L504 HydrophobicContact CD1-CD2 3.97Å; Y495-L504 HydrophobicContact CE2-CD2 4.43Å; P499-L504 HydrophobicContact CG-CD1 4.29Å; P499-L504 HydrophobicContact CG-CD2 4.48Å; P499-L504 HydrophobicContact CG-CG 4.5Å; P501-L504 PolarHBondContact O-N 3.45Å; S502-L504 VanDerWaalsContact C-N 3.33Å; L504-L509 HydrophobicContact CB-CB 4.48Å; L504-L509 HydrophobicContact CD1-CD1 4.3Å; L504-L554 HydrophobicContact CD1-CD1 4.36Å; L504-L554 HydrophobicContact CD1-CD2 3.9Å
505	T	89.3	Confident	90.5	Very high	51 Å²	51	54.9 Å²	54.9	31%	0.313	30%	0.303	S	S	.	.			trans	-57.2	131.1	172.7	-61.8	0	0	0	0	109.9	K507 I508 L509 S615	T505-K507 HydrophobicContact CG2-CB 4.41Å; T505-K507 PolarHBondContact O-N 3.03Å; T505-I508 WeakPolarHBondContact O-CB 3.32Å; T505-I508 PolarHBondContact O-N 3.26Å; T505-L509 PolarHBondContact O-N 3.29Å; T505-S615 PolarHBondContact OG1-O 2.91Å
506	P	89.1	Confident	90.7	Very high	86 Å²	86	52.4 Å²	52.4	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-51.8	-38.1	-172.6	-31.4	35.9	0	0	0	114.6	I508 L509 D510	P506-I508 VanDerWaalsContact C-N 3.3Å; P506-I508 PolarHBondContact O-N 2.99Å; P506-L509 PolarHBondContact O-N 3.44Å; P506-D510 WeakPolarHBondContact O-CB 3.48Å; P506-D510 PolarHBondContact O-N 2.75Å
507	K	90.4	Very high	90.8	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.548	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-36.2	175.8	-172.3	-176.8	177.8	-163.4	0	113.5	T505 L511 G617	T505-K507 HydrophobicContact CG2-CB 4.41Å; T505-K507 PolarHBondContact O-N 3.03Å; K507-L511 WeakPolarHBondContact O-CB 3.45Å; K507-L511 PolarHBondContact O-N 3Å; K507-G617 WeakPolarHBondContact CD-O 3.37Å; K507-G617 WeakPolarHBondContact CE-O 3.34Å; K507-G617 PolarHBondContact NZ-O 3.34Å
508	I	91.1	Very high	91	Very high	2 Å²	2	38 Å²	38	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-73.9	-46.6	175.7	-56.6	174.9	0	0	0	109.4	L490 T505 P506 L511 L512 N614 S615	L490-I508 HydrophobicContact CD2-CG2 4.5Å; T505-I508 WeakPolarHBondContact O-CB 3.32Å; T505-I508 PolarHBondContact O-N 3.26Å; P506-I508 VanDerWaalsContact C-N 3.3Å; P506-I508 PolarHBondContact O-N 2.99Å; I508-L511 PolarHBondContact O-N 3.16Å; I508-L512 WeakPolarHBondContact O-CB 3.33Å; I508-L512 PolarHBondContact O-N 2.85Å; I508-N614 WeakPolarHBondContact CD1-O 3.25Å; I508-S615 WeakPolarHBondContact CD1-O 3.31Å
509	L	92.1	Very high	91.2	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-49.7	-178.2	-179.1	59.2	0	0	0	111.6	P501 L504 T505 P506 L511 L512 V513 L554 R556	P501-L509 HydrophobicContact CB-CD2 4.46Å; L504-L509 HydrophobicContact CB-CB 4.48Å; L504-L509 HydrophobicContact CD1-CD1 4.3Å; T505-L509 PolarHBondContact O-N 3.29Å; P506-L509 PolarHBondContact O-N 3.44Å; L509-L511 PolarHBondContact O-N 3.13Å; L509-L512 PolarHBondContact O-N 2.87Å; L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 VanDerWaalsContact O-CG2 3.27Å; L509-V513 WeakPolarHBondContact O-CG2 3.37Å; L509-V513 PolarHBondContact O-N 3.38Å; L509-L554 HydrophobicContact CD1-CB 4.25Å; L509-L554 HydrophobicContact CD1-CD1 4.16Å; L509-R556 HydrophobicContact CD1-CG 4.11Å; L509-R556 HydrophobicContact CD2-CG 4.15Å; L509-R556 HydrophobicContact CG-CG 4.15Å
510	D	92.2	Very high	91.1	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	21%	0.212	S	C	.	.	H	α-helix	trans	-66.9	-39.5	-178.4	-63.9	-14.8	0	0	0	111.2	P506 V513 H514 R556	P506-D510 WeakPolarHBondContact O-CB 3.48Å; P506-D510 PolarHBondContact O-N 2.75Å; D510-V513 PolarHBondContact O-N 3.49Å; D510-H514 PolarHBondContact O-N 2.93Å; D510-H514 PolarHBondContact O-ND1 3.49Å; D510-R556 IonicContact OD1-CZ 3.42Å; D510-R556 IonicContact OD1-NE 2.72Å; D510-R556 IonicContact OD1-NH2 3.65Å; D510-R556 PolarHBondContact OD1-NH2 3.21Å
511	L	93.1	Very high	90.6	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-70	-35.6	178	-169.9	146.8	0	0	0	112.3	K507 I508 L509 A515 L613 Y650 I674	K507-L511 WeakPolarHBondContact O-CB 3.45Å; K507-L511 PolarHBondContact O-N 3Å; I508-L511 PolarHBondContact O-N 3.16Å; L509-L511 PolarHBondContact O-N 3.13Å; L511-A515 VanDerWaalsContact O-CB 3.28Å; L511-A515 WeakPolarHBondContact O-CB 3.49Å; L511-A515 PolarHBondContact O-N 2.85Å; L511-L613 HydrophobicContact CD2-CD1 4.37Å; L511-Y650 HydrophobicContact CD1-CD1 4.47Å; L511-Y650 HydrophobicContact CD1-CE1 4Å; L511-Y650 HydrophobicContact CD1-CE2 4.29Å; L511-Y650 HydrophobicContact CD2-CD1 3.82Å; L511-Y650 HydrophobicContact CD2-CE1 3.9Å; L511-Y650 HydrophobicContact CD2-CG 4.43Å; L511-I674 HydrophobicContact CD2-CB 4.46Å; L511-I674 HydrophobicContact CD2-CD1 3.42Å; L511-I674 VanDerWaalsContact CD2-CD1 3.42Å; L511-I674 HydrophobicContact CD2-CG1 3.55Å; L511-I674 HydrophobicContact CD2-CG2 4.05Å
512	L	94.1	Very high	90.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-44.7	171.6	178.9	67.5	0	0	0	111.7	L490 I508 L509 A515 I516 F550 L554 I648 I674 A675	L490-L512 HydrophobicContact CD1-CD2 4.38Å; L490-L512 HydrophobicContact CD2-CD2 4.07Å; I508-L512 WeakPolarHBondContact O-CB 3.33Å; I508-L512 PolarHBondContact O-N 2.85Å; L509-L512 PolarHBondContact O-N 2.87Å; L512-A515 PolarHBondContact O-N 2.71Å; L512-I516 HydrophobicContact CD1-CD1 3.77Å; L512-I516 HydrophobicContact CD1-CG1 4.36Å; L512-I516 HydrophobicContact CG-CD1 4.06Å; L512-I516 PolarHBondContact O-N 3.3Å; L512-F550 HydrophobicContact CD2-CE1 4.04Å; L512-L554 HydrophobicContact CD2-CD1 3.96Å; L512-I648 HydrophobicContact CD1-CD1 4.01Å; L512-I674 HydrophobicContact CB-CG2 4.3Å; L512-I674 HydrophobicContact CD1-CG2 4.13Å; L512-A675 HydrophobicContact CD1-CB 4.09Å
513	V	94.9	Very high	89.7	Confident	8 Å²	8	32.9 Å²	32.9	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-47.9	176	168	0	0	0	0	110.7	L509 D510 S517 I551 R556 V561	L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 VanDerWaalsContact O-CG2 3.27Å; L509-V513 WeakPolarHBondContact O-CG2 3.37Å; L509-V513 PolarHBondContact O-N 3.38Å; D510-V513 PolarHBondContact O-N 3.49Å; V513-S517 WeakPolarHBondContact O-CB 3.44Å; V513-S517 PolarHBondContact O-N 3.25Å; V513-S517 PolarHBondContact O-OG 3.48Å; V513-I551 HydrophobicContact CB-CD1 4.47Å; V513-I551 HydrophobicContact CG1-CD1 4.3Å; V513-I551 HydrophobicContact CG2-CG1 4.28Å; V513-I551 HydrophobicContact CG2-CG2 4.24Å; V513-R556 HydrophobicContact CG2-CB 3.84Å; V513-R556 HydrophobicContact CG2-CG 3.97Å; V513-V561 HydrophobicContact CG1-CG2 4.11Å
514	H	94.4	Very high	89.4	Confident	66 Å²	66	30.4 Å²	30.4	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-48.8	176.1	-75	77.8	0	0	0	111.6	D510 I516 S517 I518 F597	D510-H514 PolarHBondContact O-N 2.93Å; D510-H514 PolarHBondContact O-ND1 3.49Å; H514-I516 PolarHBondContact O-N 2.88Å; H514-S517 PolarHBondContact O-N 3.2Å; H514-I518 HydrophobicContact CB-CD1 4.06Å; H514-I518 VanDerWaalsContact O-CB 3.3Å; H514-I518 WeakPolarHBondContact O-CB 3.39Å; H514-I518 WeakPolarHBondContact O-CD1 3.35Å; H514-I518 VanDerWaalsContact O-CG1 3.3Å; H514-I518 WeakPolarHBondContact O-CG1 3.33Å; H514-I518 PolarHBondContact O-N 3.45Å; H514-F597 HydrophobicContact CB-CE1 4.47Å; H514-F597 HydrophobicContact CB-CZ 3.87Å
515	A	95.3	Very high	89	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-44.2	-177.7	0	0	0	0	0	113	L511 L512 N519 F597 I648 I674	L511-A515 VanDerWaalsContact O-CB 3.28Å; L511-A515 WeakPolarHBondContact O-CB 3.49Å; L511-A515 PolarHBondContact O-N 2.85Å; L512-A515 PolarHBondContact O-N 2.71Å; A515-N519 WeakPolarHBondContact O-CB 3.47Å; A515-N519 PolarHBondContact O-N 3.34Å; A515-F597 VanDerWaalsContact CA-CD1 3.4Å; A515-F597 HydrophobicContact CB-CD1 3.43Å; A515-F597 VanDerWaalsContact CB-CD1 3.43Å; A515-F597 HydrophobicContact CB-CE1 3.72Å; A515-F597 HydrophobicContact CB-CG 4.22Å; A515-I648 HydrophobicContact CB-CG2 3.98Å; A515-I674 HydrophobicContact CB-CD1 3.72Å
516	I	95.6	Very high	88.9	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-72.8	-44.1	178.5	-73.4	170.7	0	0	0	111.9	L512 H514 S520 L547 L548 F550 I551 I648	L512-I516 HydrophobicContact CD1-CD1 3.77Å; L512-I516 HydrophobicContact CD1-CG1 4.36Å; L512-I516 HydrophobicContact CG-CD1 4.06Å; L512-I516 PolarHBondContact O-N 3.3Å; H514-I516 PolarHBondContact O-N 2.88Å; I516-S520 VanDerWaalsContact O-CB 3.29Å; I516-S520 WeakPolarHBondContact O-CB 3.36Å; I516-S520 PolarHBondContact O-OG 2.95Å; I516-L547 HydrophobicContact CD1-CB 4.24Å; I516-L547 HydrophobicContact CD1-CD2 4.45Å; I516-L547 HydrophobicContact CG1-CB 4.24Å; I516-L547 HydrophobicContact CG2-CB 3.64Å; I516-L548 HydrophobicContact CG2-CD2 4.09Å; I516-F550 HydrophobicContact CD1-CD1 4.34Å; I516-I551 HydrophobicContact CB-CD1 3.82Å; I516-I551 HydrophobicContact CB-CG1 4.4Å; I516-I551 HydrophobicContact CD1-CG1 4.42Å; I516-I551 HydrophobicContact CG2-CD1 3.5Å; I516-I551 VanDerWaalsContact CG2-CD1 3.5Å; I516-I551 HydrophobicContact CG2-CG1 4.07Å; I516-I648 HydrophobicContact CD1-CD1 3.81Å; I516-I648 HydrophobicContact CG1-CD1 3.82Å
517	S	93.8	Very high	88.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-38.5	-173.1	-55.5	0	0	0	0	112.7	V513 H514 I551 F558 R562	V513-S517 WeakPolarHBondContact O-CB 3.44Å; V513-S517 PolarHBondContact O-N 3.25Å; V513-S517 PolarHBondContact O-OG 3.48Å; H514-S517 PolarHBondContact O-N 3.2Å; S517-I551 VanDerWaalsContact OG-CD1 3.32Å; S517-I551 WeakPolarHBondContact OG-CD1 3.45Å; S517-F558 WeakPolarHBondContact OG-CB 3.31Å; S517-R562 PolarHBondContact O-NE 3.37Å
518	I	93.2	Very high	88.1	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-87.1	-43.4	-175.2	-62	166.5	0	0	0	110.9	H514 S520 V561 I565 L570 T585 I587 F597	H514-I518 HydrophobicContact CB-CD1 4.06Å; H514-I518 VanDerWaalsContact O-CB 3.3Å; H514-I518 WeakPolarHBondContact O-CB 3.39Å; H514-I518 WeakPolarHBondContact O-CD1 3.35Å; H514-I518 VanDerWaalsContact O-CG1 3.3Å; H514-I518 WeakPolarHBondContact O-CG1 3.33Å; H514-I518 PolarHBondContact O-N 3.45Å; I518-S520 PolarHBondContact O-N 3.34Å; I518-S520 VanDerWaalsContact O-N 3.12Å; I518-V561 HydrophobicContact CD1-CG1 4.11Å; I518-V561 HydrophobicContact CG1-CG1 4.02Å; I518-I565 HydrophobicContact CD1-CD1 3.79Å; I518-L570 HydrophobicContact CG2-CD2 4.02Å; I518-T585 HydrophobicContact CG2-CG2 3.81Å; I518-I587 HydrophobicContact CD1-CD1 4.28Å; I518-I587 HydrophobicContact CG2-CG2 3.66Å; I518-F597 HydrophobicContact CB-CD2 4.26Å; I518-F597 HydrophobicContact CB-CE2 4.44Å; I518-F597 HydrophobicContact CD1-CD2 4.36Å; I518-F597 HydrophobicContact CD1-CE2 3.71Å; I518-F597 HydrophobicContact CD1-CZ 4.42Å; I518-F597 HydrophobicContact CG2-CD2 4.11Å; I518-F597 HydrophobicContact CG2-CE2 4.45Å
519	N	91.2	Very high	87.5	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.011	19%	0.187	C	C	.	.	S	Bend	trans	-86.5	43.1	177.2	-167.4	28.7	0	0	0	111.9	A515 M583 S584 T585 F597 S598 K599	A515-N519 WeakPolarHBondContact O-CB 3.47Å; A515-N519 PolarHBondContact O-N 3.34Å; N519-M583 PolarHBondContact ND2-O 3.03Å; N519-S584 WeakPolarHBondContact OD1-CA 3.3Å; N519-T585 PolarHBondContact OD1-N 3.2Å; N519-T585 PolarHBondContact OD1-OG1 2.94Å; N519-F597 HydrophobicContact CB-CB 3.81Å; N519-F597 PolarHBondContact ND2-O 2.93Å; N519-S598 VanDerWaalsContact ND2-CA 3.29Å; N519-S598 WeakPolarHBondContact ND2-CA 3.33Å; N519-K599 WeakPolarHBondContact ND2-CG 3.39Å; N519-K599 PolarHBondContact ND2-N 3.49Å; N519-K599 VanDerWaalsContact ND2-N 3.12Å; N519-K599 VanDerWaalsContact O-CD 3.29Å; N519-K599 WeakPolarHBondContact O-CD 3.38Å; N519-K599 WeakPolarHBondContact O-CE 3.4Å; N519-K599 PolarHBondContact O-NZ 2.88Å
520	S	88.9	Confident	86.3	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.028	22%	0.218	C	C	.	.	S	Bend	trans	-146	142.3	171.9	-61.7	0	0	0	0	109.3	I516 I518 R562 K599	I516-S520 VanDerWaalsContact O-CB 3.29Å; I516-S520 WeakPolarHBondContact O-CB 3.36Å; I516-S520 PolarHBondContact O-OG 2.95Å; I518-S520 PolarHBondContact O-N 3.34Å; I518-S520 VanDerWaalsContact O-N 3.12Å; S520-R562 PolarHBondContact O-NH2 3.28Å; S520-K599 PolarHBondContact OG-NZ 3.32Å
521	A	78.5	Confident	85.2	Confident	34 Å²	34	45 Å²	45	28%	0.281	24%	0.235	S	C	.	.			trans	-60.1	143.7	-168.8	0	0	0	0	0	112.9	T523 T524 E544 R562	A521-T523 PolarHBondContact O-N 3.11Å; A521-T524 VanDerWaalsContact O-CB 3.29Å; A521-T524 WeakPolarHBondContact O-CB 3.21Å; A521-T524 PolarHBondContact O-N 2.95Å; A521-E544 PolarHBondContact N-OE2 3.01Å; A521-R562 PolarHBondContact O-NH2 2.87Å
522	Y	78.1	Confident	83.8	Confident	41 Å²	41	53.7 Å²	53.7	16%	0.161	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.6	178.8	-97.5	-96.8	0	0	0	113.6	T524 K525 R562 I565 P566 E567 L570	Y522-T524 VanDerWaalsContact C-N 3.34Å; Y522-K525 WeakPolarHBondContact O-CE 3.46Å; Y522-R562 HydrophobicContact CE1-CB 3.89Å; Y522-R562 HydrophobicContact CE1-CG 4.22Å; Y522-R562 WeakPolarHBondContact OH-CA 3.18Å; Y522-R562 WeakPolarHBondContact OH-CB 3.43Å; Y522-R562 PolarHBondContact OH-O 2.96Å; Y522-I565 PolarHBondContact OH-O 2.79Å; Y522-P566 WeakPolarHBondContact OH-CA 3.49Å; Y522-E567 WeakPolarHBondContact CB-OE2 3.27Å; Y522-E567 HydrophobicContact CD2-CB 3.9Å; Y522-E567 HydrophobicContact CD2-CG 4.26Å; Y522-E567 HydrophobicContact CE2-CB 4.29Å; Y522-E567 HydrophobicContact CG-CB 4.07Å; Y522-L570 HydrophobicContact CE2-CD1 4.4Å
523	T	74.6	Confident	82.5	Confident	102 Å²	102	57.7 Å²	57.7	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23	170.8	52.2	0	0	0	0	113.2	A521 K525	A521-T523 PolarHBondContact O-N 3.11Å; T523-K525 PolarHBondContact O-N 3.5Å
524	T	79	Confident	81.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	33%	0.333	C	S	.	.			trans	-75.1	117.1	175.8	-62.1	0	0	0	0	109.9	A521 Y522 V539 N541 E544 C545 L548 R562	A521-T524 VanDerWaalsContact O-CB 3.29Å; A521-T524 WeakPolarHBondContact O-CB 3.21Å; A521-T524 PolarHBondContact O-N 2.95Å; Y522-T524 VanDerWaalsContact C-N 3.34Å; T524-V539 CarbonylContact C-O 3.54Å; T524-V539 VanDerWaalsContact CA-O 3.27Å; T524-V539 WeakPolarHBondContact CA-O 3.29Å; T524-N541 PolarHBondContact OG1-N 3.13Å; T524-E544 WeakPolarHBondContact CB-OE2 3.36Å; T524-E544 HydrophobicContact CG2-CB 3.49Å; T524-E544 VanDerWaalsContact CG2-CB 3.49Å; T524-E544 PolarHBondContact OG1-OE2 3.25Å; T524-C545 HydrophobicContact CG2-CB 4.49Å; T524-C545 WeakPolarHBondContact CG2-SG 3.49Å; T524-L548 HydrophobicContact CG2-CD1 3.69Å; T524-R562 PolarHBondContact O-NH1 2.88Å
525	K	80.4	Confident	80.1	Confident	104 Å²	104	61.6 Å²	61.6	45%	0.452	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.1	-175	-62.7	-175.6	-177.9	-176.9	0	111.6	Y522 T523 L527 V539	Y522-K525 WeakPolarHBondContact O-CE 3.46Å; T523-K525 PolarHBondContact O-N 3.5Å; K525-L527 HydrophobicContact CB-CD2 4.49Å; K525-V539 PolarHBondContact N-O 3.08Å; K525-V539 PolarHBondContact O-N 3.18Å
526	I	86.5	Confident	79.5	Confident	27 Å²	27	63.8 Å²	63.8	14%	0.138	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.8	165.7	-58.4	172.5	0	0	0	106.3	P536 C545 L548 G549 L552 F558	I526-P536 HydrophobicContact CG2-CB 3.93Å; I526-C545 WeakPolarHBondContact CD1-O 3.32Å; I526-L548 HydrophobicContact CD1-CB 3.9Å; I526-L548 HydrophobicContact CG1-CB 4.46Å; I526-G549 VanDerWaalsContact CD1-N 3.29Å; I526-L552 HydrophobicContact CB-CD1 4.49Å; I526-L552 HydrophobicContact CD1-CD1 3.91Å; I526-L552 HydrophobicContact CG2-CD1 4.37Å; I526-F558 HydrophobicContact CD1-CE1 4.48Å
527	L	81.9	Confident	78.7	Confident	61 Å²	61	69.4 Å²	69.4	32%	0.319	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.4	179.8	-60.3	175.7	0	0	0	109.9	K525 P536 R537 V539	K525-L527 HydrophobicContact CB-CD2 4.49Å; L527-P536 CarbonylContact O-C 3.56Å; L527-P536 WeakPolarHBondContact O-CA 3.42Å; L527-P536 WeakPolarHBondContact O-CB 3.19Å; L527-R537 HydrophobicContact CB-CB 4.38Å; L527-R537 PolarHBondContact N-O 3.14Å; L527-R537 PolarHBondContact O-N 3.22Å; L527-V539 HydrophobicContact CD1-CG2 3.74Å; L527-V539 HydrophobicContact CG-CG2 4.33Å
528	P	81.8	Confident	77.9	Confident	105 Å²	105	71 Å²	71	68%	0.682	39%	0.389	S	S	*	.			trans	-56.7	155.4	170.4	26.3	-35.2	0	0	0	111
529	P	77.9	Confident	77	Confident	47 Å²	47	73.4 Å²	73.4	31%	0.305	40%	0.403	S	S	.	.			trans	-67.2	147.1	178.8	30.1	-36.3	0	0	0	111.9	K531 A534	P529-K531 WeakPolarHBondContact CB-O 3.48Å; P529-K531 PolarHBondContact O-N 3.35Å; P529-A534 HydrophobicContact CB-CB 3.99Å; P529-A534 VanDerWaalsContact CB-O 3.22Å; P529-A534 WeakPolarHBondContact CB-O 3.46Å; P529-A534 WeakPolarHBondContact CG-O 3.07Å
530	E	66.8	Low	76.1	Confident	148 Å²	148	75.5 Å²	75.5	69%	0.692	43%	0.425	S	S	*	.	S	Bend	trans	-74.8	-11.5	178.2	-65.4	173.1	-152.3	0	0	113.5	R537	E530-R537 VanDerWaalsContact OE1-CD 3.29Å; E530-R537 WeakPolarHBondContact OE1-CD 3.47Å; E530-R537 IonicContact OE1-CZ 3.15Å; E530-R537 IonicContact OE1-NE 4Å; E530-R537 IonicContact OE1-NH1 2.61Å; E530-R537 PolarHBondContact OE1-NH1 2.96Å
531	K	69.4	Low	75.4	Confident	164 Å²	164	79.1 Å²	79.1	71%	0.713	44%	0.444	S	S	*	.	S	Bend	trans	-135.2	140.5	175.5	-66.3	177.6	-177.5	172	0	108.8	P529 G533 A534	P529-K531 WeakPolarHBondContact CB-O 3.48Å; P529-K531 PolarHBondContact O-N 3.35Å; K531-G533 PolarHBondContact O-N 2.96Å; K531-A534 HydrophobicContact CB-CB 4.25Å; K531-A534 WeakPolarHBondContact O-CB 3.4Å; K531-A534 PolarHBondContact O-N 3.4Å; K531-A534 VanDerWaalsContact O-N 3.11Å
532	E	62.6	Low	75.5	Confident	205 Å²	205	81.3 Å²	81.3	96%	0.958	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	133.7	176	-163.5	162.6	-146.9	0	0	110.5	A534	E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 2.87Å
533	G	67.1	Low	75.8	Confident	85 Å²	85	80.2 Å²	80.2	88%	0.876	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-7	-174.3	0	0	0	0	0	116.7	K531	K531-G533 PolarHBondContact O-N 2.96Å
534	A	67.8	Low	76.4	Confident	49 Å²	49	75.6 Å²	75.6	41%	0.405	42%	0.416	S	S	.	.	S	Bend	trans	-82.1	165.9	175.5	0	0	0	0	0	113	P529 K531 E532	P529-A534 HydrophobicContact CB-CB 3.99Å; P529-A534 VanDerWaalsContact CB-O 3.22Å; P529-A534 WeakPolarHBondContact CB-O 3.46Å; P529-A534 WeakPolarHBondContact CG-O 3.07Å; K531-A534 HydrophobicContact CB-CB 4.25Å; K531-A534 WeakPolarHBondContact O-CB 3.4Å; K531-A534 PolarHBondContact O-N 3.4Å; K531-A534 VanDerWaalsContact O-N 3.11Å; E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 2.87Å
535	L	72.3	Confident	76.9	Confident	108 Å²	108	75.5 Å²	75.5	57%	0.565	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-71.9	138.8	179	-68.2	174.8	0	0	0	112.1	T480	T480-L535 HydrophobicContact CG2-CD1 4.17Å
536	P	81.6	Confident	77.4	Confident	48 Å²	48	70.6 Å²	70.6	31%	0.312	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-56.4	139.7	174.4	-25.1	31.7	0	0	0	113.1	R482 I526 L527	R482-P536 PolarHBondContact NH1-O 3.06Å; I526-P536 HydrophobicContact CG2-CB 3.93Å; L527-P536 CarbonylContact O-C 3.56Å; L527-P536 WeakPolarHBondContact O-CA 3.42Å; L527-P536 WeakPolarHBondContact O-CB 3.19Å
537	R	79.3	Confident	77.7	Confident	119 Å²	119	69.5 Å²	69.5	45%	0.449	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.6	-170.9	-164.8	178.3	81.2	171.4	6.4	111.3	L527 E530	L527-R537 HydrophobicContact CB-CB 4.38Å; L527-R537 PolarHBondContact N-O 3.14Å; L527-R537 PolarHBondContact O-N 3.22Å; E530-R537 VanDerWaalsContact OE1-CD 3.29Å; E530-R537 WeakPolarHBondContact OE1-CD 3.47Å; E530-R537 IonicContact OE1-CZ 3.15Å; E530-R537 IonicContact OE1-NE 4Å; E530-R537 IonicContact OE1-NH1 2.61Å; E530-R537 PolarHBondContact OE1-NH1 2.96Å
538	Q	77.6	Confident	78.3	Confident	35 Å²	35	66.6 Å²	66.6	16%	0.164	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.8	173	-68.2	-170.1	-23.6	0	0	110.4	R482 M483 C545	R482-Q538 VanDerWaalsContact CG-CD 3.49Å; R482-Q538 HydrophobicContact CG-CG 4.05Å; M483-Q538 PolarHBondContact O-NE2 2.98Å; Q538-C545 HydrophobicContact CB-CB 3.79Å; Q538-C545 HydrophobicContact CG-CB 3.56Å
539	V	73.9	Confident	78.8	Confident	52 Å²	52	61.8 Å²	61.8	32%	0.315	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.5	176.1	-179.7	0	0	0	0	108.7	T524 K525 L527 C545	T524-V539 CarbonylContact C-O 3.54Å; T524-V539 VanDerWaalsContact CA-O 3.27Å; T524-V539 WeakPolarHBondContact CA-O 3.29Å; K525-V539 PolarHBondContact N-O 3.08Å; K525-V539 PolarHBondContact O-N 3.18Å; L527-V539 HydrophobicContact CD1-CG2 3.74Å; L527-V539 HydrophobicContact CG-CG2 4.33Å; V539-C545 PolarHBondContact O-SG 3.2Å
540	G	71.9	Confident	79.6	Confident	45 Å²	45	59.6 Å²	59.6	46%	0.464	33%	0.328	S	S	.	.	S	Bend	trans	91.3	-153.3	-172.6	0	0	0	0	0	112.6	K542	G540-K542 PolarHBondContact O-N 3.14Å
541	N	75.6	Confident	81	Confident	80 Å²	80	52.6 Å²	52.6	43%	0.428	30%	0.296	S	S	.	.			trans	-74.4	114.9	-176.7	179.6	-23.6	0	0	0	110.4	T524 T543 E544 C545	T524-N541 PolarHBondContact OG1-N 3.13Å; N541-T543 PolarHBondContact O-N 2.97Å; N541-T543 WeakPolarHBondContact OD1-CB 3.43Å; N541-T543 PolarHBondContact OD1-N 2.78Å; N541-T543 PolarHBondContact OD1-OG1 3.25Å; N541-E544 HydrophobicContact CB-CB 4.35Å; N541-E544 HydrophobicContact CB-CG 3.84Å; N541-E544 WeakPolarHBondContact O-CA 3.36Å; N541-E544 WeakPolarHBondContact O-CB 3.45Å; N541-E544 PolarHBondContact O-N 3.11Å; N541-C545 PolarHBondContact O-N 2.95Å; N541-C545 PolarHBondContact O-SG 3.33Å; N541-C545 VanDerWaalsContact O-SG 3.4Å
542	K	80.1	Confident	82.1	Confident	81 Å²	81	47.9 Å²	47.9	35%	0.352	28%	0.278	S	S	.	.	H	α-helix	trans	-53.9	-33.2	-177.1	-56.6	-168.2	-178	-167.7	0	113.6	N481 M483 G540 E544 C545 A546	N481-K542 VanDerWaalsContact CG-NZ 3.28Å; N481-K542 PolarHBondContact O-NZ 3.36Å; N481-K542 PolarHBondContact OD1-NZ 2.93Å; M483-K542 HydrophobicContact CB-CB 4.19Å; M483-K542 WeakPolarHBondContact CB-O 3.47Å; M483-K542 HydrophobicContact CG-CB 3.61Å; G540-K542 PolarHBondContact O-N 3.14Å; K542-E544 VanDerWaalsContact C-N 3.29Å; K542-E544 PolarHBondContact O-N 2.52Å; K542-C545 WeakPolarHBondContact O-CB 3.48Å; K542-C545 PolarHBondContact O-N 2.82Å; K542-A546 PolarHBondContact O-N 2.95Å
543	T	84.4	Confident	83.4	Confident	17 Å²	17	41 Å²	41	10%	0.104	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-35.5	176.2	-35.9	0	0	0	0	111.7	N541 A546 L547 R644 I646 I679	N541-T543 PolarHBondContact O-N 2.97Å; N541-T543 WeakPolarHBondContact OD1-CB 3.43Å; N541-T543 PolarHBondContact OD1-N 2.78Å; N541-T543 PolarHBondContact OD1-OG1 3.25Å; T543-A546 WeakPolarHBondContact O-CB 3.45Å; T543-L547 WeakPolarHBondContact O-CG 3.49Å; T543-L547 PolarHBondContact O-N 2.86Å; T543-R644 PolarHBondContact OG1-NH1 2.85Å; T543-I646 HydrophobicContact CG2-CD1 4.49Å; T543-I646 HydrophobicContact CG2-CG1 4.27Å; T543-I679 HydrophobicContact CG2-CD1 3.79Å
544	E	87.8	Confident	84.6	Confident	5 Å²	5	37 Å²	37	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-76.7	-38.2	174.7	-54.2	-168.9	148.9	0	0	111.3	A521 T524 N541 K542 A546 L547 L548 K599	A521-E544 PolarHBondContact N-OE2 3.01Å; T524-E544 WeakPolarHBondContact CB-OE2 3.36Å; T524-E544 HydrophobicContact CG2-CB 3.49Å; T524-E544 VanDerWaalsContact CG2-CB 3.49Å; T524-E544 PolarHBondContact OG1-OE2 3.25Å; N541-E544 HydrophobicContact CB-CB 4.35Å; N541-E544 HydrophobicContact CB-CG 3.84Å; N541-E544 WeakPolarHBondContact O-CA 3.36Å; N541-E544 WeakPolarHBondContact O-CB 3.45Å; N541-E544 PolarHBondContact O-N 3.11Å; K542-E544 VanDerWaalsContact C-N 3.29Å; K542-E544 PolarHBondContact O-N 2.52Å; E544-A546 PolarHBondContact O-N 3.32Å; E544-L547 WeakPolarHBondContact O-CB 3.5Å; E544-L547 PolarHBondContact O-N 3.3Å; E544-L548 PolarHBondContact O-N 3.24Å; E544-K599 VanDerWaalsContact CD-NZ 3.26Å; E544-K599 VanDerWaalsContact CG-NZ 3.34Å; E544-K599 IonicContact OE1-NZ 2.75Å; E544-K599 PolarHBondContact OE1-NZ 3.36Å
545	C	87.9	Confident	85.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-31	171.9	-57.9	0	0	0	0	112.5	T524 I526 Q538 V539 N541 K542 G549	T524-C545 HydrophobicContact CG2-CB 4.49Å; T524-C545 WeakPolarHBondContact CG2-SG 3.49Å; I526-C545 WeakPolarHBondContact CD1-O 3.32Å; Q538-C545 HydrophobicContact CB-CB 3.79Å; Q538-C545 HydrophobicContact CG-CB 3.56Å; V539-C545 PolarHBondContact O-SG 3.2Å; N541-C545 PolarHBondContact O-N 2.95Å; N541-C545 PolarHBondContact O-SG 3.33Å; N541-C545 VanDerWaalsContact O-SG 3.4Å; K542-C545 WeakPolarHBondContact O-CB 3.48Å; K542-C545 PolarHBondContact O-N 2.82Å; C545-G549 PolarHBondContact O-N 3.34Å
546	A	90.7	Very high	86.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-41.4	172	0	0	0	0	0	112.2	M483 K542 T543 E544 G549 F550 I679	M483-A546 HydrophobicContact CB-CB 3.9Å; M483-A546 WeakPolarHBondContact O-CA 3.44Å; M483-A546 VanDerWaalsContact O-CB 3.31Å; M483-A546 WeakPolarHBondContact O-CB 3.2Å; K542-A546 PolarHBondContact O-N 2.95Å; T543-A546 WeakPolarHBondContact O-CB 3.45Å; E544-A546 PolarHBondContact O-N 3.32Å; A546-G549 PolarHBondContact O-N 3.11Å; A546-F550 PolarHBondContact O-N 3.46Å; A546-I679 HydrophobicContact CB-CD1 4.26Å; A546-I679 HydrophobicContact CB-CG2 3.62Å
547	L	94.3	Very high	87.2	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-43.3	178.2	-62.1	174.7	0	0	0	111.8	V485 I516 T543 E544 G549 F550 I551 K599 I648 V677 I679	V485-L547 HydrophobicContact CG2-CD2 4.25Å; I516-L547 HydrophobicContact CD1-CB 4.24Å; I516-L547 HydrophobicContact CD1-CD2 4.45Å; I516-L547 HydrophobicContact CG1-CB 4.24Å; I516-L547 HydrophobicContact CG2-CB 3.64Å; T543-L547 WeakPolarHBondContact O-CG 3.49Å; T543-L547 PolarHBondContact O-N 2.86Å; E544-L547 WeakPolarHBondContact O-CB 3.5Å; E544-L547 PolarHBondContact O-N 3.3Å; L547-G549 VanDerWaalsContact C-N 3.25Å; L547-G549 PolarHBondContact O-N 3.14Å; L547-F550 WeakPolarHBondContact O-CB 3.45Å; L547-F550 PolarHBondContact O-N 3.37Å; L547-I551 PolarHBondContact O-N 2.68Å; L547-K599 HydrophobicContact CD1-CD 4.08Å; L547-I648 HydrophobicContact CD2-CD1 4Å; L547-V677 HydrophobicContact CD2-CG2 3.68Å; L547-I679 HydrophobicContact CD2-CD1 4.19Å; L547-I679 HydrophobicContact CG-CD1 4.48Å
548	L	94.3	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-32.8	172.6	-65.9	172.8	0	0	0	111.4	I516 T524 I526 E544 I551 L552 F558	I516-L548 HydrophobicContact CG2-CD2 4.09Å; T524-L548 HydrophobicContact CG2-CD1 3.69Å; I526-L548 HydrophobicContact CD1-CB 3.9Å; I526-L548 HydrophobicContact CG1-CB 4.46Å; E544-L548 PolarHBondContact O-N 3.24Å; L548-I551 WeakPolarHBondContact O-CB 3.46Å; L548-I551 PolarHBondContact O-N 2.7Å; L548-L552 PolarHBondContact O-N 2.84Å; L548-F558 HydrophobicContact CB-CD1 4.05Å; L548-F558 HydrophobicContact CB-CE1 3.94Å; L548-F558 HydrophobicContact CD2-CB 4.03Å; L548-F558 HydrophobicContact CD2-CD1 3.93Å; L548-F558 HydrophobicContact CD2-CD2 4.12Å; L548-F558 HydrophobicContact CD2-CE1 4.42Å; L548-F558 HydrophobicContact CD2-CG 3.77Å
549	G	92.6	Very high	88.3	Confident	4 Å²	4	40.2 Å²	40.2	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-45.7	173.2	0	0	0	0	0	111.4	I526 C545 A546 L547 I551 L552 D553	I526-G549 VanDerWaalsContact CD1-N 3.29Å; C545-G549 PolarHBondContact O-N 3.34Å; A546-G549 PolarHBondContact O-N 3.11Å; L547-G549 VanDerWaalsContact C-N 3.25Å; L547-G549 PolarHBondContact O-N 3.14Å; G549-I551 PolarHBondContact O-N 3.25Å; G549-L552 CarbonylContact O-C 3.59Å; G549-L552 WeakPolarHBondContact O-CA 3.49Å; G549-L552 WeakPolarHBondContact O-CB 3.38Å; G549-L552 PolarHBondContact O-N 3.48Å; G549-D553 PolarHBondContact O-N 2.86Å
550	F	94.9	Very high	89.2	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-34.5	176	-171.5	-131	0	0	0	113.1	V485 L490 I498 L512 I516 A546 L547 L554 V677	V485-F550 HydrophobicContact CB-CB 3.95Å; V485-F550 HydrophobicContact CB-CD2 3.8Å; V485-F550 HydrophobicContact CB-CE2 4.43Å; V485-F550 HydrophobicContact CB-CG 3.9Å; V485-F550 HydrophobicContact CG1-CD1 4.31Å; V485-F550 HydrophobicContact CG1-CD2 3.58Å; V485-F550 HydrophobicContact CG1-CE1 4.41Å; V485-F550 HydrophobicContact CG1-CE2 3.7Å; V485-F550 HydrophobicContact CG1-CG 3.91Å; V485-F550 HydrophobicContact CG1-CZ 4.12Å; V485-F550 HydrophobicContact CG2-CB 3.8Å; V485-F550 HydrophobicContact CG2-CD1 4.39Å; V485-F550 HydrophobicContact CG2-CD2 4.41Å; V485-F550 HydrophobicContact CG2-CG 3.99Å; L490-F550 HydrophobicContact CD1-CE1 4.37Å; L490-F550 HydrophobicContact CD1-CZ 3.99Å; I498-F550 HydrophobicContact CD1-CD2 4.35Å; I498-F550 HydrophobicContact CG1-CD2 4.22Å; I498-F550 HydrophobicContact CG1-CE2 4.19Å; I498-F550 HydrophobicContact CG2-CD2 4.22Å; I498-F550 HydrophobicContact CG2-CE2 3.99Å; L512-F550 HydrophobicContact CD2-CE1 4.04Å; I516-F550 HydrophobicContact CD1-CD1 4.34Å; A546-F550 PolarHBondContact O-N 3.46Å; L547-F550 WeakPolarHBondContact O-CB 3.45Å; L547-F550 PolarHBondContact O-N 3.37Å; F550-L554 HydrophobicContact CD1-CD1 4.12Å; F550-L554 HydrophobicContact CD2-CD1 4.36Å; F550-L554 HydrophobicContact CD2-CG 4.41Å; F550-L554 HydrophobicContact CE1-CD1 3.93Å; F550-L554 HydrophobicContact CE2-CD1 4.18Å; F550-L554 HydrophobicContact CE2-CG 4.31Å; F550-L554 HydrophobicContact CG-CD1 4.33Å; F550-L554 HydrophobicContact CZ-CD1 3.96Å; F550-L554 VanDerWaalsContact O-CB 3.29Å; F550-L554 WeakPolarHBondContact O-CB 3.44Å; F550-L554 WeakPolarHBondContact O-CG 3.41Å; F550-L554 PolarHBondContact O-N 3.46Å; F550-V677 HydrophobicContact CD1-CG1 4.4Å; F550-V677 HydrophobicContact CE1-CG1 3.94Å; F550-V677 HydrophobicContact CZ-CG1 4.45Å
551	I	94.5	Very high	90.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-48.3	170.6	-70.2	178.4	0	0	0	111.5	V513 I516 S517 L547 L548 G549 D553 L554 K555 R556 F558	V513-I551 HydrophobicContact CB-CD1 4.47Å; V513-I551 HydrophobicContact CG1-CD1 4.3Å; V513-I551 HydrophobicContact CG2-CG1 4.28Å; V513-I551 HydrophobicContact CG2-CG2 4.24Å; I516-I551 HydrophobicContact CB-CD1 3.82Å; I516-I551 HydrophobicContact CB-CG1 4.4Å; I516-I551 HydrophobicContact CD1-CG1 4.42Å; I516-I551 HydrophobicContact CG2-CD1 3.5Å; I516-I551 VanDerWaalsContact CG2-CD1 3.5Å; I516-I551 HydrophobicContact CG2-CG1 4.07Å; S517-I551 VanDerWaalsContact OG-CD1 3.32Å; S517-I551 WeakPolarHBondContact OG-CD1 3.45Å; L547-I551 PolarHBondContact O-N 2.68Å; L548-I551 WeakPolarHBondContact O-CB 3.46Å; L548-I551 PolarHBondContact O-N 2.7Å; G549-I551 PolarHBondContact O-N 3.25Å; I551-D553 VanDerWaalsContact C-N 3.34Å; I551-L554 CarbonylContact O-C 3.42Å; I551-L554 PolarHBondContact O-N 3.33Å; I551-K555 PolarHBondContact O-N 3.38Å; I551-R556 CarbonylContact C-O 3.44Å; I551-R556 HydrophobicContact CG2-CB 3.87Å; I551-R556 WeakPolarHBondContact CG2-O 3.42Å; I551-R556 PolarHBondContact O-N 2.99Å; I551-F558 HydrophobicContact CD1-CB 3.92Å; I551-F558 HydrophobicContact CG2-CB 4.21Å; I551-F558 HydrophobicContact CG2-CD1 4.42Å
552	L	92.4	Very high	90.7	Very high	66 Å²	66	35.5 Å²	35.5	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-65.9	-37.4	179.7	-60.1	177.2	0	0	0	111.7	I526 L548 G549 K555 F558	I526-L552 HydrophobicContact CB-CD1 4.49Å; I526-L552 HydrophobicContact CD1-CD1 3.91Å; I526-L552 HydrophobicContact CG2-CD1 4.37Å; L548-L552 PolarHBondContact O-N 2.84Å; G549-L552 CarbonylContact O-C 3.59Å; G549-L552 WeakPolarHBondContact O-CA 3.49Å; G549-L552 WeakPolarHBondContact O-CB 3.38Å; G549-L552 PolarHBondContact O-N 3.48Å; L552-K555 WeakPolarHBondContact O-CA 3.46Å; L552-K555 PolarHBondContact O-N 3.02Å; L552-F558 HydrophobicContact CD1-CE1 4.05Å; L552-F558 HydrophobicContact CD2-CD1 4.15Å; L552-F558 HydrophobicContact CD2-CE1 4Å; L552-F558 HydrophobicContact CG-CD1 4.3Å; L552-F558 HydrophobicContact CG-CE1 4Å
553	D	91.2	Very high	91	Very high	60 Å²	60	37.6 Å²	37.6	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-67.3	-39	177	-66.3	-40.6	0	0	0	110.9	I498 G549 I551 K555	I498-D553 HydrophobicContact CD1-CB 3.66Å; I498-D553 HydrophobicContact CG2-CB 4.15Å; G549-D553 PolarHBondContact O-N 2.86Å; I551-D553 VanDerWaalsContact C-N 3.34Å; D553-K555 WeakPolarHBondContact O-CD 3.41Å; D553-K555 WeakPolarHBondContact O-CE 3.39Å; D553-K555 PolarHBondContact O-N 3.44Å; D553-K555 VanDerWaalsContact O-N 3.11Å; D553-K555 PolarHBondContact O-NZ 3.4Å
554	L	92.3	Very high	91.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	13.1	166.5	-67.3	173	0	0	0	114.3	I498 P499 P501 L504 L509 L512 F550 I551 R556	I498-L554 HydrophobicContact CG2-CD2 4.09Å; I498-L554 HydrophobicContact CG2-CG 4.42Å; P499-L554 HydrophobicContact CG-CD2 4.16Å; P499-L554 WeakPolarHBondContact O-CD2 3.13Å; P501-L554 WeakPolarHBondContact CG-O 3.48Å; L504-L554 HydrophobicContact CD1-CD1 4.36Å; L504-L554 HydrophobicContact CD1-CD2 3.9Å; L509-L554 HydrophobicContact CD1-CB 4.25Å; L509-L554 HydrophobicContact CD1-CD1 4.16Å; L512-L554 HydrophobicContact CD2-CD1 3.96Å; F550-L554 HydrophobicContact CD1-CD1 4.12Å; F550-L554 HydrophobicContact CD2-CD1 4.36Å; F550-L554 HydrophobicContact CD2-CG 4.41Å; F550-L554 HydrophobicContact CE1-CD1 3.93Å; F550-L554 HydrophobicContact CE2-CD1 4.18Å; F550-L554 HydrophobicContact CE2-CG 4.31Å; F550-L554 HydrophobicContact CG-CD1 4.33Å; F550-L554 HydrophobicContact CZ-CD1 3.96Å; F550-L554 VanDerWaalsContact O-CB 3.29Å; F550-L554 WeakPolarHBondContact O-CB 3.44Å; F550-L554 WeakPolarHBondContact O-CG 3.41Å; F550-L554 PolarHBondContact O-N 3.46Å; I551-L554 CarbonylContact O-C 3.42Å; I551-L554 PolarHBondContact O-N 3.33Å; L554-R556 PolarHBondContact O-N 2.96Å; L554-R556 VanDerWaalsContact O-N 3.17Å
555	K	92.6	Very high	91.2	Very high	151 Å²	151	44.2 Å²	44.2	66%	0.657	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.2	174	-44	-54.9	168.5	-143.3	0	113.9	P501 I551 L552 D553	P501-K555 HydrophobicContact CG-CB 4.03Å; P501-K555 HydrophobicContact CG-CG 3.92Å; I551-K555 PolarHBondContact O-N 3.38Å; L552-K555 WeakPolarHBondContact O-CA 3.46Å; L552-K555 PolarHBondContact O-N 3.02Å; D553-K555 WeakPolarHBondContact O-CD 3.41Å; D553-K555 WeakPolarHBondContact O-CE 3.39Å; D553-K555 PolarHBondContact O-N 3.44Å; D553-K555 VanDerWaalsContact O-N 3.11Å; D553-K555 PolarHBondContact O-NZ 3.4Å
556	R	92	Very high	90.8	Very high	106 Å²	106	45.7 Å²	45.7	40%	0.4	22%	0.223	S	C	.	.			trans	-113.4	163.4	168.5	-65.8	-58.3	-144.2	-171.3	10.2	109.3	L509 D510 V513 I551 L554	L509-R556 HydrophobicContact CD1-CG 4.11Å; L509-R556 HydrophobicContact CD2-CG 4.15Å; L509-R556 HydrophobicContact CG-CG 4.15Å; D510-R556 IonicContact OD1-CZ 3.42Å; D510-R556 IonicContact OD1-NE 2.72Å; D510-R556 IonicContact OD1-NH2 3.65Å; D510-R556 PolarHBondContact OD1-NH2 3.21Å; V513-R556 HydrophobicContact CG2-CB 3.84Å; V513-R556 HydrophobicContact CG2-CG 3.97Å; I551-R556 CarbonylContact C-O 3.44Å; I551-R556 HydrophobicContact CG2-CB 3.87Å; I551-R556 WeakPolarHBondContact CG2-O 3.42Å; I551-R556 PolarHBondContact O-N 2.99Å; L554-R556 PolarHBondContact O-N 2.96Å; L554-R556 VanDerWaalsContact O-N 3.17Å
557	D	90.5	Very high	90.2	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	25%	0.25	S	C	.	.			trans	-114.1	135.2	173	-169.7	-3	0	0	0	109.5	Q559 P560	D557-Q559 VanDerWaalsContact OD1-CB 3.29Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.44Å; D557-Q559 PolarHBondContact OD1-N 3.22Å; D557-P560 HydrophobicContact CB-CG 4.47Å; D557-P560 VanDerWaalsContact CG-CD 3.48Å; D557-P560 WeakPolarHBondContact OD2-CD 3.43Å
558	F	91.7	Very high	89.2	Confident	13 Å²	13	57.5 Å²	57.5	6%	0.057	28%	0.282	C	S	.	.	S	Bend	trans	-86.4	-20.6	175.4	58.4	-103.5	0	0	0	112.5	S517 I526 L548 I551 L552 V561 R562	S517-F558 WeakPolarHBondContact OG-CB 3.31Å; I526-F558 HydrophobicContact CD1-CE1 4.48Å; L548-F558 HydrophobicContact CB-CD1 4.05Å; L548-F558 HydrophobicContact CB-CE1 3.94Å; L548-F558 HydrophobicContact CD2-CB 4.03Å; L548-F558 HydrophobicContact CD2-CD1 3.93Å; L548-F558 HydrophobicContact CD2-CD2 4.12Å; L548-F558 HydrophobicContact CD2-CE1 4.42Å; L548-F558 HydrophobicContact CD2-CG 3.77Å; I551-F558 HydrophobicContact CD1-CB 3.92Å; I551-F558 HydrophobicContact CG2-CB 4.21Å; I551-F558 HydrophobicContact CG2-CD1 4.42Å; L552-F558 HydrophobicContact CD1-CE1 4.05Å; L552-F558 HydrophobicContact CD2-CD1 4.15Å; L552-F558 HydrophobicContact CD2-CE1 4Å; L552-F558 HydrophobicContact CG-CD1 4.3Å; L552-F558 HydrophobicContact CG-CE1 4Å; F558-V561 PolarHBondContact O-N 2.77Å; F558-R562 PolarHBondContact O-N 2.93Å
559	Q	89.4	Confident	88.7	Confident	73 Å²	73	63 Å²	63	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-43	-170.5	-174.5	60.8	26.8	0	0	112.7	D557 V561 R562 E563	D557-Q559 VanDerWaalsContact OD1-CB 3.29Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.44Å; D557-Q559 PolarHBondContact OD1-N 3.22Å; Q559-V561 VanDerWaalsContact C-N 3.32Å; Q559-V561 PolarHBondContact O-N 2.81Å; Q559-R562 PolarHBondContact O-N 3.12Å; Q559-R562 VanDerWaalsContact O-N 3.11Å; Q559-E563 WeakPolarHBondContact CG-OE1 3.4Å; Q559-E563 PolarHBondContact NE2-OE1 3.07Å; Q559-E563 WeakPolarHBondContact O-CG 3.23Å; Q559-E563 PolarHBondContact O-N 2.72Å
560	P	92.6	Very high	88.2	Confident	54 Å²	54	64.1 Å²	64.1	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-32.8	175.6	-24.6	35.3	0	0	0	114	D557 R562 E563 Q564	D557-P560 HydrophobicContact CB-CG 4.47Å; D557-P560 VanDerWaalsContact CG-CD 3.48Å; D557-P560 WeakPolarHBondContact OD2-CD 3.43Å; P560-R562 VanDerWaalsContact C-N 3.32Å; P560-E563 PolarHBondContact O-N 2.87Å; P560-Q564 VanDerWaalsContact O-CG 3.3Å; P560-Q564 WeakPolarHBondContact O-CG 3.31Å; P560-Q564 PolarHBondContact O-N 2.78Å; P560-Q564 VanDerWaalsContact O-N 3.08Å
561	V	90.1	Very high	87.9	Confident	16 Å²	16	69.1 Å²	69.1	10%	0.097	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-39.8	175.6	-179.5	0	0	0	0	110.1	V513 I518 F558 Q559 Q564 I565	V513-V561 HydrophobicContact CG1-CG2 4.11Å; I518-V561 HydrophobicContact CD1-CG1 4.11Å; I518-V561 HydrophobicContact CG1-CG1 4.02Å; F558-V561 PolarHBondContact O-N 2.77Å; Q559-V561 VanDerWaalsContact C-N 3.32Å; Q559-V561 PolarHBondContact O-N 2.81Å; V561-Q564 PolarHBondContact O-N 3.37Å; V561-I565 PolarHBondContact O-N 3.02Å
562	R	88.2	Confident	87.5	Confident	7 Å²	7	72.3 Å²	72.3	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-71.1	-27.7	177.2	-76.1	-177.4	163	-166.8	-17.1	113.9	S517 S520 A521 Y522 T524 F558 Q559 P560 I565 P566	S517-R562 PolarHBondContact O-NE 3.37Å; S520-R562 PolarHBondContact O-NH2 3.28Å; A521-R562 PolarHBondContact O-NH2 2.87Å; Y522-R562 HydrophobicContact CE1-CB 3.89Å; Y522-R562 HydrophobicContact CE1-CG 4.22Å; Y522-R562 WeakPolarHBondContact OH-CA 3.18Å; Y522-R562 WeakPolarHBondContact OH-CB 3.43Å; Y522-R562 PolarHBondContact OH-O 2.96Å; T524-R562 PolarHBondContact O-NH1 2.88Å; F558-R562 PolarHBondContact O-N 2.93Å; Q559-R562 PolarHBondContact O-N 3.12Å; Q559-R562 VanDerWaalsContact O-N 3.11Å; P560-R562 VanDerWaalsContact C-N 3.32Å; R562-I565 CarbonylContact O-C 3.58Å; R562-P566 WeakPolarHBondContact O-CA 3.48Å
563	E	87.7	Confident	87.1	Confident	125 Å²	125	72.5 Å²	72.5	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-77.3	-30.1	173.9	-73.2	165.9	-172.8	0	0	112.3	Q559 P560	Q559-E563 WeakPolarHBondContact CG-OE1 3.4Å; Q559-E563 PolarHBondContact NE2-OE1 3.07Å; Q559-E563 WeakPolarHBondContact O-CG 3.23Å; Q559-E563 PolarHBondContact O-N 2.72Å; P560-E563 PolarHBondContact O-N 2.87Å
564	Q	87.9	Confident	86.8	Confident	126 Å²	126	70.3 Å²	70.3	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-74.5	-39.5	173.6	-71.4	171.7	32.6	0	0	112.6	P560 V561 P566 K569	P560-Q564 VanDerWaalsContact O-CG 3.3Å; P560-Q564 WeakPolarHBondContact O-CG 3.31Å; P560-Q564 PolarHBondContact O-N 2.78Å; P560-Q564 VanDerWaalsContact O-N 3.08Å; V561-Q564 PolarHBondContact O-N 3.37Å; Q564-P566 VanDerWaalsContact O-CD 3.3Å; Q564-P566 WeakPolarHBondContact O-CD 3.38Å; Q564-K569 PolarHBondContact O-NZ 3.28Å
565	I	86.6	Confident	86.3	Confident	35 Å²	35	74.6 Å²	74.6	18%	0.179	36%	0.362	C	S	.	.	S	Bend	trans	-121.6	63.8	-176.6	-44.9	176.4	0	0	0	110.9	I518 Y522 V561 R562 K569 L570 I587	I518-I565 HydrophobicContact CD1-CD1 3.79Å; Y522-I565 PolarHBondContact OH-O 2.79Å; V561-I565 PolarHBondContact O-N 3.02Å; R562-I565 CarbonylContact O-C 3.58Å; I565-K569 HydrophobicContact CG2-CB 4.25Å; I565-L570 HydrophobicContact CG2-CD2 4.14Å; I565-I587 HydrophobicContact CD1-CD1 4.27Å; I565-I587 HydrophobicContact CG2-CG2 4.04Å
566	P	81.4	Confident	85.7	Confident	32 Å²	32	72.2 Å²	72.2	21%	0.208	35%	0.352	C	S	.	.			trans	-60.9	168	179	28	-37.4	0	0	0	113.3	Y522 R562 Q564 D568 K569	Y522-P566 WeakPolarHBondContact OH-CA 3.49Å; R562-P566 WeakPolarHBondContact O-CA 3.48Å; Q564-P566 VanDerWaalsContact O-CD 3.3Å; Q564-P566 WeakPolarHBondContact O-CD 3.38Å; P566-D568 VanDerWaalsContact CB-OD1 3.28Å; P566-D568 WeakPolarHBondContact CB-OD1 3.44Å; P566-D568 VanDerWaalsContact CG-OD1 3.24Å; P566-D568 WeakPolarHBondContact CG-OD1 3.41Å; P566-D568 PolarHBondContact O-N 2.86Å; P566-D568 VanDerWaalsContact O-N 3.13Å; P566-K569 HydrophobicContact CG-CD 4.19Å; P566-K569 HydrophobicContact CG-CG 4.16Å; P566-K569 WeakPolarHBondContact O-CB 3.5Å; P566-K569 PolarHBondContact O-N 3.46Å
567	E	76.1	Confident	84.8	Confident	121 Å²	121	70.5 Å²	70.5	57%	0.565	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.7	-31.6	-170.4	-166.9	160.4	-154.2	0	0	113.8	Y522 K569 L570	Y522-E567 WeakPolarHBondContact CB-OE2 3.27Å; Y522-E567 HydrophobicContact CD2-CB 3.9Å; Y522-E567 HydrophobicContact CD2-CG 4.26Å; Y522-E567 HydrophobicContact CE2-CB 4.29Å; Y522-E567 HydrophobicContact CG-CB 4.07Å; E567-K569 VanDerWaalsContact C-N 3.28Å; E567-K569 PolarHBondContact O-N 2.76Å; E567-L570 HydrophobicContact CG-CD1 4.41Å; E567-L570 WeakPolarHBondContact O-CB 3.5Å; E567-L570 PolarHBondContact O-N 2.74Å
568	D	75.1	Confident	83.7	Confident	132 Å²	132	70.9 Å²	70.9	71%	0.706	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70.1	-16.7	174.9	62.2	-65.5	0	0	0	114.6	P566	P566-D568 VanDerWaalsContact CB-OD1 3.28Å; P566-D568 WeakPolarHBondContact CB-OD1 3.44Å; P566-D568 VanDerWaalsContact CG-OD1 3.24Å; P566-D568 WeakPolarHBondContact CG-OD1 3.41Å; P566-D568 PolarHBondContact O-N 2.86Å; P566-D568 VanDerWaalsContact O-N 3.13Å
569	K	82	Confident	82.7	Confident	115 Å²	115	76.6 Å²	76.6	50%	0.5	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-95.1	-1.6	174.8	-58.6	-172.2	-159.4	165.7	0	113.5	Q564 I565 P566 E567	Q564-K569 PolarHBondContact O-NZ 3.28Å; I565-K569 HydrophobicContact CG2-CB 4.25Å; P566-K569 HydrophobicContact CG-CD 4.19Å; P566-K569 HydrophobicContact CG-CG 4.16Å; P566-K569 WeakPolarHBondContact O-CB 3.5Å; P566-K569 PolarHBondContact O-N 3.46Å; E567-K569 VanDerWaalsContact C-N 3.28Å; E567-K569 PolarHBondContact O-N 2.76Å
570	L	84.1	Confident	82.2	Confident	28 Å²	28	75.7 Å²	75.7	15%	0.147	39%	0.389	C	S	.	.			trans	-75.8	127.3	175.2	-56	-176.7	0	0	0	109.2	I518 Y522 I565 E567 V573 T585 I587	I518-L570 HydrophobicContact CG2-CD2 4.02Å; Y522-L570 HydrophobicContact CE2-CD1 4.4Å; I565-L570 HydrophobicContact CG2-CD2 4.14Å; E567-L570 HydrophobicContact CG-CD1 4.41Å; E567-L570 WeakPolarHBondContact O-CB 3.5Å; E567-L570 PolarHBondContact O-N 2.74Å; L570-V573 HydrophobicContact CB-CG2 4.17Å; L570-V573 HydrophobicContact CD1-CG2 3.98Å; L570-T585 HydrophobicContact CB-CG2 4.41Å; L570-T585 HydrophobicContact CD1-CG2 4.11Å; L570-T585 HydrophobicContact CD2-CG2 3.83Å; L570-T585 HydrophobicContact CG-CG2 4.33Å; L570-I587 HydrophobicContact CD2-CG2 3.91Å
571	Y	87.9	Confident	81.9	Confident	106 Å²	106	77.5 Å²	77.5	42%	0.416	39%	0.391	S	S	.	.	S	Bend	trans	-80	-40.5	-170.6	-167.9	-103.2	0	0	0	112.8	V586 F594 E658 W661	Y571-V586 HydrophobicContact CD1-CG1 4.16Å; Y571-V586 PolarHBondContact N-O 3.34Å; Y571-F594 HydrophobicContact CD1-CD1 4.11Å; Y571-F594 AromaticContact CD1-CE1 3.73Å; Y571-F594 HydrophobicContact CD1-CE1 3.73Å; Y571-F594 HydrophobicContact CD2-CE1 4.04Å; Y571-F594 HydrophobicContact CE1-CD1 4.41Å; Y571-F594 AromaticContact CE1-CE1 3.66Å; Y571-F594 HydrophobicContact CE1-CE1 3.66Å; Y571-F594 HydrophobicContact CE1-CZ 4.19Å; Y571-F594 AromaticContact CE2-CE1 3.98Å; Y571-F594 HydrophobicContact CE2-CE1 3.98Å; Y571-F594 HydrophobicContact CG-CD1 4.3Å; Y571-F594 AromaticContact CG-CE1 3.91Å; Y571-F594 HydrophobicContact CG-CE1 3.91Å; Y571-F594 AromaticContact CZ-CE1 3.78Å; Y571-E658 PolarHBondContact OH-OE1 3.27Å; Y571-W661 HydrophobicContact CD1-CZ2 4.37Å; Y571-W661 AromaticContact CE1-CD1 3.86Å; Y571-W661 HydrophobicContact CE1-CD2 4.42Å; Y571-W661 AromaticContact CE1-CE2 3.78Å; Y571-W661 HydrophobicContact CE1-CG 4.44Å; Y571-W661 HydrophobicContact CE1-CZ2 4.23Å; Y571-W661 AromaticContact CE1-NE1 3.43Å
572	K	86.1	Confident	81.9	Confident	68 Å²	68	76.9 Å²	76.9	30%	0.296	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	136.5	175.3	-168.9	85.9	164.3	-163.8	0	108.2	Y574 V586 W661 D662	K572-Y574 HydrophobicContact CG-CE1 4.14Å; K572-Y574 HydrophobicContact CG-CE2 4.02Å; K572-V586 HydrophobicContact CB-CB 4.17Å; K572-V586 HydrophobicContact CB-CG2 4.1Å; K572-V586 PolarHBondContact O-N 2.72Å; K572-W661 HydrophobicContact CD-CB 4.37Å; K572-D662 IonicContact NZ-OD1 3.97Å; K572-D662 PolarHBondContact NZ-OD1 3.3Å
573	V	83.8	Confident	82	Confident	69 Å²	69	77.9 Å²	77.9	42%	0.418	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114	173.6	-179.1	0	0	0	0	109.2	L570 T575 T585	L570-V573 HydrophobicContact CB-CG2 4.17Å; L570-V573 HydrophobicContact CD1-CG2 3.98Å; V573-T575 PolarHBondContact O-N 3.05Å; V573-T585 HydrophobicContact CG2-CG2 4.2Å
574	Y	84.9	Confident	82.2	Confident	14 Å²	14	72 Å²	72	6%	0.055	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	99.6	168.6	-54.8	-80.7	0	0	0	107.9	K572 M583 S584 V586 L596 W661 E664 V667	K572-Y574 HydrophobicContact CG-CE1 4.14Å; K572-Y574 HydrophobicContact CG-CE2 4.02Å; Y574-M583 WeakPolarHBondContact O-CA 3.41Å; Y574-M583 WeakPolarHBondContact O-CG 3.47Å; Y574-S584 PolarHBondContact N-O 3.26Å; Y574-S584 PolarHBondContact O-N 2.84Å; Y574-V586 HydrophobicContact CE2-CG2 3.99Å; Y574-L596 HydrophobicContact CD2-CD1 4.3Å; Y574-L596 HydrophobicContact CE2-CD1 4.18Å; Y574-W661 WeakPolarHBondContact CE1-O 3.25Å; Y574-W661 WeakPolarHBondContact OH-CA 3.42Å; Y574-W661 PolarHBondContact OH-O 3.41Å; Y574-E664 HydrophobicContact CD1-CB 4.04Å; Y574-E664 HydrophobicContact CD1-CG 3.49Å; Y574-E664 VanDerWaalsContact CD1-CG 3.49Å; Y574-E664 WeakPolarHBondContact CD1-OE2 3.5Å; Y574-E664 HydrophobicContact CE1-CB 3.82Å; Y574-E664 HydrophobicContact CE1-CG 3.66Å; Y574-E664 HydrophobicContact CG-CG 3.94Å; Y574-V667 HydrophobicContact CE2-CG1 4.16Å
575	T	81.7	Confident	82.5	Confident	91 Å²	91	66.1 Å²	66.1	56%	0.558	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	168.7	-179.5	54	0	0	0	0	112.4	V573 N577 R580	V573-T575 PolarHBondContact O-N 3.05Å; T575-N577 PolarHBondContact O-N 3.46Å; T575-R580 PolarHBondContact O-NE 2.93Å; T575-R580 PolarHBondContact O-NH2 3.39Å
576	F	79.4	Confident	82.8	Confident	101 Å²	101	64.5 Å²	64.5	44%	0.443	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.5	174.9	-179.5	-88.7	0	0	0	111.1	K581 M583	F576-K581 VanDerWaalsContact CE2-C 3.48Å; F576-K581 HydrophobicContact CE2-CB 4.27Å; F576-K581 HydrophobicContact CZ-CB 4.37Å; F576-M583 HydrophobicContact CB-CE 4.44Å
577	N	74.5	Confident	83.3	Confident	70 Å²	70	63.4 Å²	63.4	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.7	171.6	164.9	-21	0	0	0	109	T575 V579 R580 K581	T575-N577 PolarHBondContact O-N 3.46Å; N577-V579 PolarHBondContact O-N 3.34Å; N577-V579 WeakPolarHBondContact OD1-CB 3.33Å; N577-V579 PolarHBondContact OD1-N 3.45Å; N577-R580 HydrophobicContact CB-CG 3.85Å; N577-R580 VanDerWaalsContact O-CG 3.32Å; N577-R580 WeakPolarHBondContact O-CG 3.35Å; N577-R580 PolarHBondContact O-N 3.36Å; N577-K581 WeakPolarHBondContact O-CA 3.21Å; N577-K581 PolarHBondContact O-N 3.43Å
578	S	66.4	Low	84	Confident	93 Å²	93	65.4 Å²	65.4	65%	0.65	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-173	-56	0	0	0	0	115.1	K581	S578-K581 WeakPolarHBondContact O-CG 3.34Å
579	V	71.6	Confident	84.6	Confident	132 Å²	132	61.1 Å²	61.1	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-46.7	177.1	-176.1	0	0	0	0	110.7	N577	N577-V579 PolarHBondContact O-N 3.34Å; N577-V579 WeakPolarHBondContact OD1-CB 3.33Å; N577-V579 PolarHBondContact OD1-N 3.45Å
580	R	79.1	Confident	84.7	Confident	54 Å²	54	62.2 Å²	62.2	20%	0.204	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.2	176.9	57.4	165.8	170.2	-109.8	15.4	114.1	T575 N577 S582 E664	T575-R580 PolarHBondContact O-NE 2.93Å; T575-R580 PolarHBondContact O-NH2 3.39Å; N577-R580 HydrophobicContact CB-CG 3.85Å; N577-R580 VanDerWaalsContact O-CG 3.32Å; N577-R580 WeakPolarHBondContact O-CG 3.35Å; N577-R580 PolarHBondContact O-N 3.36Å; R580-S582 WeakPolarHBondContact CD-O 3.35Å; R580-S582 WeakPolarHBondContact CD-OG 3.49Å; R580-S582 PolarHBondContact NE-O 3Å; R580-S582 PolarHBondContact O-N 3.08Å; R580-S582 VanDerWaalsContact O-N 3.15Å; R580-E664 VanDerWaalsContact CD-OE1 3.23Å; R580-E664 WeakPolarHBondContact CD-OE1 3.26Å; R580-E664 VanDerWaalsContact CZ-CD 3.47Å; R580-E664 IonicContact CZ-OE1 3.98Å; R580-E664 IonicContact CZ-OE2 2.73Å; R580-E664 IonicContact NE-OE1 2.71Å; R580-E664 PolarHBondContact NE-OE1 3.47Å; R580-E664 IonicContact NH1-OE1 2.69Å; R580-E664 PolarHBondContact NH1-OE1 2.83Å; R580-E664 IonicContact NH1-OE2 2.64Å; R580-E664 PolarHBondContact NH1-OE2 3.16Å; R580-E664 IonicContact NH2-OE1 3.5Å; R580-E664 IonicContact NH2-OE2 2.69Å; R580-E664 PolarHBondContact NH2-OE2 2.68Å
581	K	86.3	Confident	84.7	Confident	93 Å²	93	66.8 Å²	66.8	40%	0.404	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	31.7	-172	-48.9	-175.3	-165.6	167	0	114.8	F576 N577 S578 G600 A601 E603 I604	F576-K581 VanDerWaalsContact CE2-C 3.48Å; F576-K581 HydrophobicContact CE2-CB 4.27Å; F576-K581 HydrophobicContact CZ-CB 4.37Å; N577-K581 WeakPolarHBondContact O-CA 3.21Å; N577-K581 PolarHBondContact O-N 3.43Å; S578-K581 WeakPolarHBondContact O-CG 3.34Å; K581-G600 WeakPolarHBondContact O-CA 3.4Å; K581-A601 HydrophobicContact CB-CB 3.83Å; K581-A601 HydrophobicContact CD-CB 4Å; K581-A601 PolarHBondContact O-N 2.96Å; K581-E603 IonicContact NZ-OE1 2.72Å; K581-I604 HydrophobicContact CB-CD1 4.03Å; K581-I604 HydrophobicContact CD-CD1 3.79Å; K581-I604 HydrophobicContact CG-CD1 3.95Å
582	S	89.3	Confident	84.5	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.4	179.3	62.3	0	0	0	0	112.6	R580 K599	R580-S582 WeakPolarHBondContact CD-O 3.35Å; R580-S582 WeakPolarHBondContact CD-OG 3.49Å; R580-S582 PolarHBondContact NE-O 3Å; R580-S582 PolarHBondContact O-N 3.08Å; R580-S582 VanDerWaalsContact O-N 3.15Å; S582-K599 CarbonylContact C-O 3.46Å; S582-K599 WeakPolarHBondContact CA-O 3.45Å; S582-K599 VanDerWaalsContact CB-O 3.27Å; S582-K599 WeakPolarHBondContact CB-O 2.99Å
583	M	89.8	Confident	84.7	Confident	29 Å²	29	59.8 Å²	59.8	14%	0.143	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.8	175.8	169.6	-171	-86.7	0	0	107.9	N519 Y574 F576 K599	N519-M583 PolarHBondContact ND2-O 3.03Å; Y574-M583 WeakPolarHBondContact O-CA 3.41Å; Y574-M583 WeakPolarHBondContact O-CG 3.47Å; F576-M583 HydrophobicContact CB-CE 4.44Å; M583-K599 HydrophobicContact CB-CG 4.46Å; M583-K599 PolarHBondContact N-O 2.87Å; M583-K599 PolarHBondContact O-N 3.19Å; M583-K599 VanDerWaalsContact SD-CE 3.55Å
584	S	93.2	Very high	85.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.7	179.7	-39.2	0	0	0	0	112.3	N519 Y574 F597 S598	N519-S584 WeakPolarHBondContact OD1-CA 3.3Å; Y574-S584 PolarHBondContact N-O 3.26Å; Y574-S584 PolarHBondContact O-N 2.84Å; S584-F597 CarbonylContact C-O 3.56Å; S584-F597 WeakPolarHBondContact CA-O 3.48Å; S584-F597 VanDerWaalsContact CB-O 3.29Å; S584-F597 WeakPolarHBondContact CB-O 3.3Å; S584-S598 WeakPolarHBondContact OG-CB 3.46Å; S584-S598 PolarHBondContact OG-OG 3Å
585	T	92.7	Very high	85.5	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132	178.9	-67.3	0	0	0	0	110	I518 N519 L570 V573 F597	I518-T585 HydrophobicContact CG2-CG2 3.81Å; N519-T585 PolarHBondContact OD1-N 3.2Å; N519-T585 PolarHBondContact OD1-OG1 2.94Å; L570-T585 HydrophobicContact CB-CG2 4.41Å; L570-T585 HydrophobicContact CD1-CG2 4.11Å; L570-T585 HydrophobicContact CD2-CG2 3.83Å; L570-T585 HydrophobicContact CG-CG2 4.33Å; V573-T585 HydrophobicContact CG2-CG2 4.2Å; T585-F597 PolarHBondContact N-O 2.91Å; T585-F597 PolarHBondContact O-N 2.94Å
586	V	92.9	Very high	86.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.4	175	-175.8	0	0	0	0	109.7	Y571 K572 Y574 F594 R595 L596 W661	Y571-V586 HydrophobicContact CD1-CG1 4.16Å; Y571-V586 PolarHBondContact N-O 3.34Å; K572-V586 HydrophobicContact CB-CB 4.17Å; K572-V586 HydrophobicContact CB-CG2 4.1Å; K572-V586 PolarHBondContact O-N 2.72Å; Y574-V586 HydrophobicContact CE2-CG2 3.99Å; V586-F594 HydrophobicContact CG1-CB 4.21Å; V586-F594 HydrophobicContact CG1-CD1 4.13Å; V586-R595 WeakPolarHBondContact CA-O 3.06Å; V586-L596 HydrophobicContact CG2-CD1 3.56Å; V586-W661 HydrophobicContact CB-CZ3 4.35Å; V586-W661 HydrophobicContact CG1-CE3 4.49Å; V586-W661 HydrophobicContact CG1-CH2 3.64Å; V586-W661 HydrophobicContact CG1-CZ2 4.28Å; V586-W661 HydrophobicContact CG1-CZ3 3.77Å; V586-W661 HydrophobicContact CG2-CE3 3.98Å; V586-W661 HydrophobicContact CG2-CH2 4.35Å; V586-W661 HydrophobicContact CG2-CZ3 3.61Å
587	I	93.1	Very high	87	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.046	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155	166.5	59.7	161.7	0	0	0	110.4	I518 I565 L570 M589 F594 R595 F597	I518-I587 HydrophobicContact CD1-CD1 4.28Å; I518-I587 HydrophobicContact CG2-CG2 3.66Å; I565-I587 HydrophobicContact CD1-CD1 4.27Å; I565-I587 HydrophobicContact CG2-CG2 4.04Å; L570-I587 HydrophobicContact CD2-CG2 3.91Å; I587-M589 HydrophobicContact CD1-SD 4.11Å; I587-F594 WeakPolarHBondContact O-CA 3.35Å; I587-R595 HydrophobicContact CD1-CB 4.46Å; I587-R595 HydrophobicContact CG1-CB 4.01Å; I587-R595 WeakPolarHBondContact CG1-O 3.44Å; I587-R595 PolarHBondContact N-O 3.42Å; I587-R595 PolarHBondContact O-N 2.76Å; I587-F597 HydrophobicContact CD1-CE2 3.85Å; I587-F597 HydrophobicContact CG1-CE2 4.19Å
588	R	89.9	Confident	88	Confident	164 Å²	164	46.5 Å²	46.5	62%	0.619	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.9	168.2	-162.1	176.1	-171.3	176.8	3.5	109.9	G593 F594	R588-G593 WeakPolarHBondContact CG-O 3.2Å; R588-F594 HydrophobicContact CB-CD1 4.26Å; R588-F594 HydrophobicContact CB-CE1 4.35Å; R588-F594 HydrophobicContact CG-CD1 4.22Å; R588-F594 HydrophobicContact CG-CE1 4.11Å
589	M	88.5	Confident	89.3	Confident	42 Å²	42	43 Å²	43	21%	0.207	22%	0.221	C	C	.	.			trans	-92.2	155.6	-178.1	-69.5	-68.1	-68.1	0	0	111.3	I587 D591 G592 G593 R595	I587-M589 HydrophobicContact CD1-SD 4.11Å; M589-D591 WeakPolarHBondContact CB-OD1 3.14Å; M589-D591 PolarHBondContact O-N 2.85Å; M589-G592 PolarHBondContact O-N 2.96Å; M589-G593 PolarHBondContact N-O 3.2Å; M589-R595 HydrophobicContact CG-CB 3.83Å; M589-R595 HydrophobicContact SD-CB 3.78Å
590	P	84.4	Confident	90.3	Very high	138 Å²	138	37 Å²	37	90%	0.896	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	-178	-23.3	35	0	0	0	115.1	G592	P590-G592 PolarHBondContact O-N 3.47Å
591	D	83.8	Confident	90.8	Very high	124 Å²	124	35.1 Å²	35.1	66%	0.663	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-0.2	173.1	58.1	11.9	0	0	0	113.3	M589 G593	M589-D591 WeakPolarHBondContact CB-OD1 3.14Å; M589-D591 PolarHBondContact O-N 2.85Å; D591-G593 PolarHBondContact OD1-N 2.84Å
592	G	82.7	Confident	91.1	Very high	24 Å²	24	30.7 Å²	30.7	25%	0.247	16%	0.163	C	C	.	.	S	Bend	trans	89.8	-9.1	-177.5	0	0	0	0	0	114.6	M589 P590	M589-G592 PolarHBondContact O-N 2.96Å; P590-G592 PolarHBondContact O-N 3.47Å
593	G	90.6	Very high	90.9	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.178	C	C	.	.			trans	-76.7	-169.9	175.7	0	0	0	0	0	113.2	R588 M589 D591 F653	R588-G593 WeakPolarHBondContact CG-O 3.2Å; M589-G593 PolarHBondContact N-O 3.2Å; D591-G593 PolarHBondContact OD1-N 2.84Å; G593-F653 WeakPolarHBondContact CA-O 3.46Å
594	F	92.4	Very high	90.9	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.5	178	-58.7	-92.4	0	0	0	111.4	Y571 V586 I587 R588 F653 E658 W661	Y571-F594 HydrophobicContact CD1-CD1 4.11Å; Y571-F594 AromaticContact CD1-CE1 3.73Å; Y571-F594 HydrophobicContact CD1-CE1 3.73Å; Y571-F594 HydrophobicContact CD2-CE1 4.04Å; Y571-F594 HydrophobicContact CE1-CD1 4.41Å; Y571-F594 AromaticContact CE1-CE1 3.66Å; Y571-F594 HydrophobicContact CE1-CE1 3.66Å; Y571-F594 HydrophobicContact CE1-CZ 4.19Å; Y571-F594 AromaticContact CE2-CE1 3.98Å; Y571-F594 HydrophobicContact CE2-CE1 3.98Å; Y571-F594 HydrophobicContact CG-CD1 4.3Å; Y571-F594 AromaticContact CG-CE1 3.91Å; Y571-F594 HydrophobicContact CG-CE1 3.91Å; Y571-F594 AromaticContact CZ-CE1 3.78Å; V586-F594 HydrophobicContact CG1-CB 4.21Å; V586-F594 HydrophobicContact CG1-CD1 4.13Å; I587-F594 WeakPolarHBondContact O-CA 3.35Å; R588-F594 HydrophobicContact CB-CD1 4.26Å; R588-F594 HydrophobicContact CB-CE1 4.35Å; R588-F594 HydrophobicContact CG-CD1 4.22Å; R588-F594 HydrophobicContact CG-CE1 4.11Å; F594-F653 HydrophobicContact CB-CB 4.32Å; F594-F653 PolarHBondContact N-O 3.4Å; F594-F653 PolarHBondContact O-N 3.12Å; F594-E658 HydrophobicContact CE2-CG 4.14Å; F594-E658 HydrophobicContact CZ-CG 4.37Å; F594-W661 HydrophobicContact CB-CH2 3.85Å; F594-W661 HydrophobicContact CB-CZ2 4.15Å; F594-W661 HydrophobicContact CD1-CH2 4.29Å; F594-W661 AromaticContact CD1-CZ2 3.89Å; F594-W661 HydrophobicContact CD1-CZ2 3.89Å; F594-W661 HydrophobicContact CD2-CH2 4.4Å; F594-W661 AromaticContact CD2-CZ2 3.89Å; F594-W661 HydrophobicContact CD2-CZ2 3.89Å; F594-W661 HydrophobicContact CE1-CZ2 4.17Å; F594-W661 HydrophobicContact CE2-CZ2 4.17Å; F594-W661 AromaticContact CG-CH2 3.96Å; F594-W661 HydrophobicContact CG-CH2 3.96Å; F594-W661 AromaticContact CG-CZ2 3.73Å; F594-W661 HydrophobicContact CG-CZ2 3.73Å; F594-W661 HydrophobicContact CZ-CZ2 4.3Å
595	R	93.8	Very high	90.8	Very high	49 Å²	49	34.7 Å²	34.7	19%	0.185	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.4	172.5	174.8	167.9	-72.9	161.8	-1.2	109.9	V586 I587 M589 F597 R651 D652	V586-R595 WeakPolarHBondContact CA-O 3.06Å; I587-R595 HydrophobicContact CD1-CB 4.46Å; I587-R595 HydrophobicContact CG1-CB 4.01Å; I587-R595 WeakPolarHBondContact CG1-O 3.44Å; I587-R595 PolarHBondContact N-O 3.42Å; I587-R595 PolarHBondContact O-N 2.76Å; M589-R595 HydrophobicContact CG-CB 3.83Å; M589-R595 HydrophobicContact SD-CB 3.78Å; R595-F597 HydrophobicContact CG-CD1 4.49Å; R595-F597 HydrophobicContact CG-CD2 4.35Å; R595-F597 HydrophobicContact CG-CE1 4.16Å; R595-F597 HydrophobicContact CG-CE2 3.99Å; R595-F597 HydrophobicContact CG-CZ 3.91Å; R595-R651 WeakPolarHBondContact CA-O 3.35Å; R595-D652 WeakPolarHBondContact CG-OD1 3.48Å; R595-D652 IonicContact CZ-OD1 3.78Å; R595-D652 IonicContact CZ-OD2 4Å; R595-D652 IonicContact NE-OD1 3.67Å; R595-D652 PolarHBondContact NE-OD1 3.25Å; R595-D652 IonicContact NE-OD2 3.32Å; R595-D652 IonicContact NH2-OD1 3.71Å; R595-D652 PolarHBondContact NH2-OD1 2.85Å; R595-D652 IonicContact NH2-OD2 2.82Å; R595-D652 PolarHBondContact NH2-OD2 2.99Å
596	L	94.8	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.4	169.8	176.8	83.3	0	0	0	108.4	Y574 V586 Y650 R651 F653 V667 V668 L671	Y574-L596 HydrophobicContact CD2-CD1 4.3Å; Y574-L596 HydrophobicContact CE2-CD1 4.18Å; V586-L596 HydrophobicContact CG2-CD1 3.56Å; L596-Y650 CarbonylContact O-C 3.59Å; L596-Y650 WeakPolarHBondContact O-CA 3.08Å; L596-Y650 WeakPolarHBondContact O-CB 3.33Å; L596-R651 PolarHBondContact N-O 3.1Å; L596-R651 PolarHBondContact O-N 2.61Å; L596-F653 HydrophobicContact CB-CE2 3.83Å; L596-V667 HydrophobicContact CD1-CG1 4.17Å; L596-V667 HydrophobicContact CD2-CG1 4.13Å; L596-V668 HydrophobicContact CD2-CG2 4.23Å; L596-L671 HydrophobicContact CD2-CD2 3.98Å
597	F	96.8	Very high	90.7	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.8	163.4	-66	-69.7	0	0	0	109.1	H514 A515 I518 N519 S584 T585 I587 R595	H514-F597 HydrophobicContact CB-CE1 4.47Å; H514-F597 HydrophobicContact CB-CZ 3.87Å; A515-F597 VanDerWaalsContact CA-CD1 3.4Å; A515-F597 HydrophobicContact CB-CD1 3.43Å; A515-F597 VanDerWaalsContact CB-CD1 3.43Å; A515-F597 HydrophobicContact CB-CE1 3.72Å; A515-F597 HydrophobicContact CB-CG 4.22Å; I518-F597 HydrophobicContact CB-CD2 4.26Å; I518-F597 HydrophobicContact CB-CE2 4.44Å; I518-F597 HydrophobicContact CD1-CD2 4.36Å; I518-F597 HydrophobicContact CD1-CE2 3.71Å; I518-F597 HydrophobicContact CD1-CZ 4.42Å; I518-F597 HydrophobicContact CG2-CD2 4.11Å; I518-F597 HydrophobicContact CG2-CE2 4.45Å; N519-F597 HydrophobicContact CB-CB 3.81Å; N519-F597 PolarHBondContact ND2-O 2.93Å; S584-F597 CarbonylContact C-O 3.56Å; S584-F597 WeakPolarHBondContact CA-O 3.48Å; S584-F597 VanDerWaalsContact CB-O 3.29Å; S584-F597 WeakPolarHBondContact CB-O 3.3Å; T585-F597 PolarHBondContact N-O 2.91Å; T585-F597 PolarHBondContact O-N 2.94Å; I587-F597 HydrophobicContact CD1-CE2 3.85Å; I587-F597 HydrophobicContact CG1-CE2 4.19Å; R595-F597 HydrophobicContact CG-CD1 4.49Å; R595-F597 HydrophobicContact CG-CD2 4.35Å; R595-F597 HydrophobicContact CG-CE1 4.16Å; R595-F597 HydrophobicContact CG-CE2 3.99Å; R595-F597 HydrophobicContact CG-CZ 3.91Å
598	S	95.5	Very high	90.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.8	-178.8	-164	0	0	0	0	111.6	N519 S584 A649	N519-S598 VanDerWaalsContact ND2-CA 3.29Å; N519-S598 WeakPolarHBondContact ND2-CA 3.33Å; S584-S598 WeakPolarHBondContact OG-CB 3.46Å; S584-S598 PolarHBondContact OG-OG 3Å; S598-A649 PolarHBondContact N-O 2.69Å; S598-A649 PolarHBondContact O-N 3.15Å; S598-A649 VanDerWaalsContact O-O 3.12Å
599	K	95.4	Very high	90.9	Very high	19 Å²	19	36.6 Å²	36.6	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.4	175.6	75.6	-172.2	178.5	-171.1	0	110	N519 S520 E544 L547 S582 M583 C647	N519-K599 WeakPolarHBondContact ND2-CG 3.39Å; N519-K599 PolarHBondContact ND2-N 3.49Å; N519-K599 VanDerWaalsContact ND2-N 3.12Å; N519-K599 VanDerWaalsContact O-CD 3.29Å; N519-K599 WeakPolarHBondContact O-CD 3.38Å; N519-K599 WeakPolarHBondContact O-CE 3.4Å; N519-K599 PolarHBondContact O-NZ 2.88Å; S520-K599 PolarHBondContact OG-NZ 3.32Å; E544-K599 VanDerWaalsContact CD-NZ 3.26Å; E544-K599 VanDerWaalsContact CG-NZ 3.34Å; E544-K599 IonicContact OE1-NZ 2.75Å; E544-K599 PolarHBondContact OE1-NZ 3.36Å; L547-K599 HydrophobicContact CD1-CD 4.08Å; S582-K599 CarbonylContact C-O 3.46Å; S582-K599 WeakPolarHBondContact CA-O 3.45Å; S582-K599 VanDerWaalsContact CB-O 3.27Å; S582-K599 WeakPolarHBondContact CB-O 2.99Å; M583-K599 HydrophobicContact CB-CG 4.46Å; M583-K599 PolarHBondContact N-O 2.87Å; M583-K599 PolarHBondContact O-N 3.19Å; M583-K599 VanDerWaalsContact SD-CE 3.55Å; K599-C647 WeakPolarHBondContact CA-O 3.34Å
600	G	92.1	Very high	91.2	Very high	6 Å²	6	37 Å²	37	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-173.1	177.8	0	0	0	0	0	113.8	K581 S602 I646 C647	K581-G600 WeakPolarHBondContact O-CA 3.4Å; G600-S602 PolarHBondContact O-N 3.21Å; G600-I646 WeakPolarHBondContact O-CA 3.21Å; G600-C647 PolarHBondContact N-O 3.45Å; G600-C647 VanDerWaalsContact N-O 3.16Å; G600-C647 PolarHBondContact O-N 2.85Å
601	A	89.4	Confident	91.7	Very high	15 Å²	15	32.7 Å²	32.7	12%	0.124	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	124.3	174.2	0	0	0	0	0	110.1	K581 E603 I604 L605	K581-A601 HydrophobicContact CB-CB 3.83Å; K581-A601 HydrophobicContact CD-CB 4Å; K581-A601 PolarHBondContact O-N 2.96Å; A601-E603 VanDerWaalsContact C-N 3.29Å; A601-E603 WeakPolarHBondContact CB-OE1 3.46Å; A601-E603 WeakPolarHBondContact CB-OE2 3.28Å; A601-E603 PolarHBondContact O-N 3.18Å; A601-I604 HydrophobicContact CB-CD1 4.43Å; A601-I604 PolarHBondContact O-N 3.38Å; A601-I604 VanDerWaalsContact O-N 3.07Å; A601-L605 PolarHBondContact O-N 3.16Å
602	S	92.1	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-38.3	-166.1	63.6	0	0	0	0	113	G600 I604 L605 L606 I635 T645	G600-S602 PolarHBondContact O-N 3.21Å; S602-I604 PolarHBondContact O-N 2.92Å; S602-L605 PolarHBondContact O-N 3.37Å; S602-L606 WeakPolarHBondContact O-CB 3.39Å; S602-L606 WeakPolarHBondContact O-CD1 3.41Å; S602-L606 WeakPolarHBondContact O-CG 3.28Å; S602-L606 PolarHBondContact O-N 3.12Å; S602-I635 VanDerWaalsContact OG-CG2 3.3Å; S602-I635 WeakPolarHBondContact OG-CG2 3.33Å; S602-T645 PolarHBondContact N-O 2.93Å; S602-T645 VanDerWaalsContact OG-CB 3.3Å; S602-T645 WeakPolarHBondContact OG-CB 3.31Å; S602-T645 PolarHBondContact OG-O 3.46Å; S602-T645 PolarHBondContact OG-OG1 3.21Å
603	E	84.5	Confident	92.7	Very high	70 Å²	70	26.2 Å²	26.2	33%	0.327	13%	0.128	S	C	.	.	H	α-helix	trans	-67	-13.5	179.5	79.8	-70.7	177.5	0	0	114.3	K581 A601 K607	K581-E603 IonicContact NZ-OE1 2.72Å; A601-E603 VanDerWaalsContact C-N 3.29Å; A601-E603 WeakPolarHBondContact CB-OE1 3.46Å; A601-E603 WeakPolarHBondContact CB-OE2 3.28Å; A601-E603 PolarHBondContact O-N 3.18Å; E603-K607 WeakPolarHBondContact O-CD 3.13Å; E603-K607 WeakPolarHBondContact O-CE 3.47Å
604	I	89.5	Confident	92.7	Very high	45 Å²	45	27.4 Å²	27.4	23%	0.231	13%	0.134	C	C	.	.	H	α-helix	trans	-102.2	-49	174.7	-63.9	174.5	0	0	0	110.4	K581 A601 S602 L606 K607	K581-I604 HydrophobicContact CB-CD1 4.03Å; K581-I604 HydrophobicContact CD-CD1 3.79Å; K581-I604 HydrophobicContact CG-CD1 3.95Å; A601-I604 HydrophobicContact CB-CD1 4.43Å; A601-I604 PolarHBondContact O-N 3.38Å; A601-I604 VanDerWaalsContact O-N 3.07Å; S602-I604 PolarHBondContact O-N 2.92Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.47Å; I604-K607 PolarHBondContact O-N 3.15Å
605	L	92	Very high	92.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-36	-175.4	-134.7	77.7	0	0	0	112.4	A601 S602 K607 K608 C609 C647 A649 L671	A601-L605 PolarHBondContact O-N 3.16Å; S602-L605 PolarHBondContact O-N 3.37Å; L605-K607 VanDerWaalsContact C-N 3.29Å; L605-K607 PolarHBondContact O-N 2.93Å; L605-K608 CarbonylContact O-C 3.56Å; L605-K608 WeakPolarHBondContact O-CA 3.31Å; L605-K608 WeakPolarHBondContact O-CB 3.3Å; L605-K608 PolarHBondContact O-N 3.13Å; L605-K608 VanDerWaalsContact O-N 3.1Å; L605-C609 PolarHBondContact O-N 3.02Å; L605-C609 PolarHBondContact O-SG 2.77Å; L605-C647 HydrophobicContact CB-CB 3.81Å; L605-C647 HydrophobicContact CD2-CB 4.14Å; L605-C647 WeakPolarHBondContact CD2-O 3.39Å; L605-A649 HydrophobicContact CD2-CB 3.93Å; L605-L671 HydrophobicContact CG-CD1 4.08Å
606	L	92.4	Very high	92	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.7	-32.3	178.5	-69.1	165.7	0	0	0	112.5	S602 I604 K608 C609 F622 R627 M630 I635 C647 C673 V676	S602-L606 WeakPolarHBondContact O-CB 3.39Å; S602-L606 WeakPolarHBondContact O-CD1 3.41Å; S602-L606 WeakPolarHBondContact O-CG 3.28Å; S602-L606 PolarHBondContact O-N 3.12Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.47Å; L606-K608 PolarHBondContact O-N 3.41Å; L606-C609 WeakPolarHBondContact O-CB 3.34Å; L606-C609 PolarHBondContact O-N 3.16Å; L606-F622 HydrophobicContact CD2-CE1 3.71Å; L606-F622 HydrophobicContact CD2-CZ 4.05Å; L606-R627 WeakPolarHBondContact O-CD 3.32Å; L606-M630 HydrophobicContact CD1-CG 4.4Å; L606-I635 HydrophobicContact CD1-CD1 3.18Å; L606-C647 HydrophobicContact CG-CB 4.33Å; L606-C673 HydrophobicContact CD2-CB 4.25Å; L606-V676 HydrophobicContact CD1-CG2 4.22Å; L606-V676 HydrophobicContact CD2-CG2 4.27Å
607	K	91.5	Very high	91.5	Very high	158 Å²	158	32 Å²	32	69%	0.687	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-64.4	-30.9	174.7	-64.1	177.2	179.8	174.3	0	112.2	E603 I604 L605 R627	E603-K607 WeakPolarHBondContact O-CD 3.13Å; E603-K607 WeakPolarHBondContact O-CE 3.47Å; I604-K607 PolarHBondContact O-N 3.15Å; L605-K607 VanDerWaalsContact C-N 3.29Å; L605-K607 PolarHBondContact O-N 2.93Å; K607-R627 PolarHBondContact O-NH1 2.95Å; K607-R627 VanDerWaalsContact O-NH1 3.07Å
608	K	92.5	Very high	91.2	Very high	56 Å²	56	36.6 Å²	36.6	24%	0.243	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-82.8	-5.7	172.5	-75.6	164.8	166.3	-84.7	0	113.5	L605 L606 V668 D670 L671	L605-K608 CarbonylContact O-C 3.56Å; L605-K608 WeakPolarHBondContact O-CA 3.31Å; L605-K608 WeakPolarHBondContact O-CB 3.3Å; L605-K608 PolarHBondContact O-N 3.13Å; L605-K608 VanDerWaalsContact O-N 3.1Å; L606-K608 PolarHBondContact O-N 3.41Å; K608-V668 HydrophobicContact CD-CG1 4.43Å; K608-V668 VanDerWaalsContact CD-O 3.26Å; K608-V668 WeakPolarHBondContact CD-O 3.31Å; K608-V668 PolarHBondContact NZ-O 3.31Å; K608-D670 PolarHBondContact O-N 3.45Å; K608-L671 HydrophobicContact CB-CD1 3.99Å; K608-L671 HydrophobicContact CB-CG 4.41Å; K608-L671 PolarHBondContact O-N 3.32Å
609	C	94.4	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.6	176	-62.4	0	0	0	0	111.7	L605 L606 F622 R627 L671 C673	L605-C609 PolarHBondContact O-N 3.02Å; L605-C609 PolarHBondContact O-SG 2.77Å; L606-C609 WeakPolarHBondContact O-CB 3.34Å; L606-C609 PolarHBondContact O-N 3.16Å; C609-F622 HydrophobicContact CB-CD1 3.91Å; C609-F622 HydrophobicContact CB-CE1 4.17Å; C609-R627 PolarHBondContact O-NH1 3.27Å; C609-L671 CarbonylContact C-O 3.39Å; C609-L671 WeakPolarHBondContact CA-O 3.41Å; C609-L671 HydrophobicContact CB-CB 4.46Å; C609-C673 HydrophobicContact CB-CB 4.29Å
610	T	94.8	Very high	90.9	Very high	51 Å²	51	45 Å²	45	31%	0.313	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-15.6	173.5	51	0	0	0	0	112.7	F622 D670 L671	T610-F622 PolarHBondContact O-N 3.27Å; T610-D670 HydrophobicContact CG2-CB 4.38Å; T610-D670 WeakPolarHBondContact OG1-CA 3.47Å; T610-L671 PolarHBondContact N-O 3.44Å
611	N	95.1	Very high	90.9	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164	175.8	-64.1	-72	0	0	0	111.5	L619 R620 L671 T672 C673	N611-L619 HydrophobicContact CB-CD2 4.32Å; N611-R620 CarbonylContact C-O 3.53Å; N611-R620 VanDerWaalsContact CA-O 3.32Å; N611-R620 WeakPolarHBondContact CA-O 3.44Å; N611-L671 PolarHBondContact N-O 2.97Å; N611-T672 HydrophobicContact CB-CG2 4.13Å; N611-T672 WeakPolarHBondContact O-CA 3.43Å; N611-C673 PolarHBondContact O-N 2.87Å
612	I	94.6	Very high	91	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.4	173.2	-171.8	165.5	0	0	0	109.8	Y489 R620 F622 M630 C673	Y489-I612 HydrophobicContact CE1-CD1 4.25Å; I612-R620 HydrophobicContact CG2-CB 4.2Å; I612-R620 PolarHBondContact N-O 3.19Å; I612-R620 PolarHBondContact O-N 3.44Å; I612-F622 HydrophobicContact CB-CB 4.22Å; I612-F622 HydrophobicContact CB-CD1 4.13Å; I612-F622 HydrophobicContact CB-CD2 4.2Å; I612-F622 HydrophobicContact CB-CE1 4.49Å; I612-F622 HydrophobicContact CB-CG 3.97Å; I612-F622 HydrophobicContact CD1-CD2 4.48Å; I612-F622 HydrophobicContact CD1-CE1 4.38Å; I612-F622 HydrophobicContact CD1-CE2 4.06Å; I612-F622 HydrophobicContact CD1-CZ 4Å; I612-F622 HydrophobicContact CG2-CB 4.03Å; I612-F622 HydrophobicContact CG2-CD2 3.89Å; I612-F622 HydrophobicContact CG2-CE2 4.49Å; I612-F622 HydrophobicContact CG2-CG 3.97Å; I612-M630 HydrophobicContact CD1-CE 3.5Å; I612-M630 VanDerWaalsContact CD1-CE 3.5Å; I612-C673 WeakPolarHBondContact CA-O 3.36Å; I612-C673 HydrophobicContact CB-CB 4.27Å; I612-C673 HydrophobicContact CD1-CB 4.43Å; I612-C673 HydrophobicContact CG1-CB 4.05Å
613	L	92.9	Very high	91	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.9	173.8	-63.8	178.7	0	0	0	111.6	L511 E618 L619 T672 C673 I674	L511-L613 HydrophobicContact CD2-CD1 4.37Å; L613-E618 WeakPolarHBondContact CA-O 3.29Å; L613-L619 HydrophobicContact CD2-CD2 4.06Å; L613-T672 HydrophobicContact CD2-CG2 4.14Å; L613-T672 HydrophobicContact CG-CG2 4.18Å; L613-C673 PolarHBondContact N-O 3.26Å; L613-C673 VanDerWaalsContact N-O 3.09Å; L613-I674 HydrophobicContact CD1-CB 4.43Å; L613-I674 HydrophobicContact CD1-CG1 4.39Å; L613-I674 HydrophobicContact CD1-CG2 4.14Å
614	N	89.7	Confident	91.3	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.15	28%	0.282	C	S	.	.			trans	-76.4	177.6	169.2	75.9	-0.1	0	0	0	111.6	D492 I508 N616 G617 E618	D492-N614 WeakPolarHBondContact OD2-CA 3.39Å; I508-N614 WeakPolarHBondContact CD1-O 3.25Å; N614-N616 PolarHBondContact O-N 3.29Å; N614-N616 WeakPolarHBondContact OD1-CA 3.39Å; N614-N616 WeakPolarHBondContact OD1-CB 3.48Å; N614-N616 PolarHBondContact OD1-N 3.11Å; N614-G617 PolarHBondContact O-N 2.91Å; N614-G617 PolarHBondContact OD1-N 2.83Å; N614-E618 PolarHBondContact N-O 3.04Å; N614-E618 PolarHBondContact ND2-OE2 3.37Å; N614-E618 WeakPolarHBondContact OD1-CB 3.48Å; N614-E618 PolarHBondContact OD1-N 2.97Å; N614-E618 PolarHBondContact OD1-O 2.82Å
615	S	87.2	Confident	91.3	Very high	61 Å²	61	62.2 Å²	62.2	43%	0.427	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.4	175.3	52.5	0	0	0	0	114.9	T505 I508 G617	T505-S615 PolarHBondContact OG1-O 2.91Å; I508-S615 WeakPolarHBondContact CD1-O 3.31Å; S615-G617 VanDerWaalsContact C-N 3.29Å; S615-G617 PolarHBondContact O-N 3.07Å
616	N	85.4	Confident	91.2	Very high	95 Å²	95	64.6 Å²	64.6	51%	0.508	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7	177	-58.4	-19.3	0	0	0	113.2	N614 E618	N614-N616 PolarHBondContact O-N 3.29Å; N614-N616 WeakPolarHBondContact OD1-CA 3.39Å; N614-N616 WeakPolarHBondContact OD1-CB 3.48Å; N614-N616 PolarHBondContact OD1-N 3.11Å; N616-E618 HydrophobicContact CB-CG 3.92Å; N616-E618 WeakPolarHBondContact CB-OE2 3.49Å; N616-E618 PolarHBondContact ND2-OE2 3.33Å
617	G	84.2	Confident	91.1	Very high	2 Å²	2	67.1 Å²	67.1	2%	0.021	33%	0.327	C	S	.	.	S	Bend	trans	75	26.7	-172.2	0	0	0	0	0	113.7	K507 N614 S615	K507-G617 WeakPolarHBondContact CD-O 3.37Å; K507-G617 WeakPolarHBondContact CE-O 3.34Å; K507-G617 PolarHBondContact NZ-O 3.34Å; N614-G617 PolarHBondContact O-N 2.91Å; N614-G617 PolarHBondContact OD1-N 2.83Å; S615-G617 VanDerWaalsContact C-N 3.29Å; S615-G617 PolarHBondContact O-N 3.07Å
618	E	89.9	Confident	91	Very high	99 Å²	99	64 Å²	64	46%	0.463	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-99.4	156.9	174.7	-53.8	167.3	121.2	0	0	110.7	L613 N614 N616 R620	L613-E618 WeakPolarHBondContact CA-O 3.29Å; N614-E618 PolarHBondContact N-O 3.04Å; N614-E618 PolarHBondContact ND2-OE2 3.37Å; N614-E618 WeakPolarHBondContact OD1-CB 3.48Å; N614-E618 PolarHBondContact OD1-N 2.97Å; N614-E618 PolarHBondContact OD1-O 2.82Å; N616-E618 HydrophobicContact CB-CG 3.92Å; N616-E618 WeakPolarHBondContact CB-OE2 3.49Å; N616-E618 PolarHBondContact ND2-OE2 3.33Å; E618-R620 PolarHBondContact O-N 3.45Å
619	L	91.4	Very high	90.9	Very high	104 Å²	104	64.2 Å²	64.2	55%	0.545	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.6	-179	-64.8	171	0	0	0	110.8	N611 L613 T672	N611-L619 HydrophobicContact CB-CD2 4.32Å; L613-L619 HydrophobicContact CD2-CD2 4.06Å; L619-T672 HydrophobicContact CD2-CG2 3.42Å; L619-T672 VanDerWaalsContact CD2-CG2 3.42Å
620	R	93	Very high	90.7	Very high	92 Å²	92	64.7 Å²	64.7	35%	0.347	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132	164.6	-172.2	178.7	69.2	-131.3	-1.1	109.6	D492 N611 I612 E618 F622	D492-R620 IonicContact OD1-CZ 3.83Å; D492-R620 VanDerWaalsContact OD1-CZ 3.24Å; D492-R620 IonicContact OD1-NH1 2.83Å; D492-R620 PolarHBondContact OD1-NH1 2.83Å; D492-R620 IonicContact OD1-NH2 3.4Å; D492-R620 PolarHBondContact OD1-NH2 2.79Å; D492-R620 IonicContact OD2-CZ 2.68Å; D492-R620 IonicContact OD2-NH1 2.74Å; D492-R620 PolarHBondContact OD2-NH1 3.41Å; D492-R620 IonicContact OD2-NH2 2.68Å; N611-R620 CarbonylContact C-O 3.53Å; N611-R620 VanDerWaalsContact CA-O 3.32Å; N611-R620 WeakPolarHBondContact CA-O 3.44Å; I612-R620 HydrophobicContact CG2-CB 4.2Å; I612-R620 PolarHBondContact N-O 3.19Å; I612-R620 PolarHBondContact O-N 3.44Å; E618-R620 PolarHBondContact O-N 3.45Å; R620-F622 PolarHBondContact O-N 2.91Å
621	G	92.1	Very high	90.5	Very high	40 Å²	40	64.1 Å²	64.1	41%	0.412	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.1	170.6	0	0	0	0	0	111.3
622	F	92.1	Very high	90.3	Very high	9 Å²	9	68.2 Å²	68.2	4%	0.039	34%	0.336	C	S	.	.			trans	-116.1	96.1	-166	-170.2	-149.9	0	0	0	110	L606 C609 T610 I612 R620 D626 R627 M630 C673	L606-F622 HydrophobicContact CD2-CE1 3.71Å; L606-F622 HydrophobicContact CD2-CZ 4.05Å; C609-F622 HydrophobicContact CB-CD1 3.91Å; C609-F622 HydrophobicContact CB-CE1 4.17Å; T610-F622 PolarHBondContact O-N 3.27Å; I612-F622 HydrophobicContact CB-CB 4.22Å; I612-F622 HydrophobicContact CB-CD1 4.13Å; I612-F622 HydrophobicContact CB-CD2 4.2Å; I612-F622 HydrophobicContact CB-CE1 4.49Å; I612-F622 HydrophobicContact CB-CG 3.97Å; I612-F622 HydrophobicContact CD1-CD2 4.48Å; I612-F622 HydrophobicContact CD1-CE1 4.38Å; I612-F622 HydrophobicContact CD1-CE2 4.06Å; I612-F622 HydrophobicContact CD1-CZ 4Å; I612-F622 HydrophobicContact CG2-CB 4.03Å; I612-F622 HydrophobicContact CG2-CD2 3.89Å; I612-F622 HydrophobicContact CG2-CE2 4.49Å; I612-F622 HydrophobicContact CG2-CG 3.97Å; R620-F622 PolarHBondContact O-N 2.91Å; F622-D626 HydrophobicContact CD2-CB 3.63Å; F622-D626 HydrophobicContact CE2-CB 3.88Å; F622-R627 HydrophobicContact CD1-CG 3.72Å; F622-R627 HydrophobicContact CD2-CG 3.99Å; F622-R627 HydrophobicContact CE1-CG 3.54Å; F622-R627 HydrophobicContact CE2-CG 3.8Å; F622-R627 HydrophobicContact CG-CG 3.94Å; F622-R627 HydrophobicContact CZ-CB 4.36Å; F622-R627 HydrophobicContact CZ-CG 3.58Å; F622-M630 HydrophobicContact CE2-CE 4.12Å; F622-M630 HydrophobicContact CZ-CB 4.4Å; F622-M630 HydrophobicContact CZ-CE 4.04Å; F622-C673 HydrophobicContact CE1-CB 4.24Å
623	R	92.3	Very high	90.1	Very high	180 Å²	180	74.2 Å²	74.2	68%	0.679	36%	0.362	S	S	*	.			trans	-78.2	163.1	-167.6	-55.2	170.4	-178.3	-170.8	-0.4	111	R625 D626 R627	R623-R625 VanDerWaalsContact C-N 3.29Å; R623-R625 PolarHBondContact O-N 3.49Å; R623-D626 WeakPolarHBondContact CB-OD2 3.46Å; R623-D626 WeakPolarHBondContact CG-OD2 3.47Å; R623-D626 PolarHBondContact N-OD2 3.36Å; R623-D626 PolarHBondContact O-N 2.96Å; R623-R627 WeakPolarHBondContact O-CG 3.33Å; R623-R627 PolarHBondContact O-N 2.85Å
624	P	89.4	Confident	90.1	Very high	81 Å²	81	74.8 Å²	74.8	53%	0.526	37%	0.365	S	S	.	.	H	α-helix	trans	-47.9	-49.6	173	-28.1	34.7	0	0	0	113.1	D626 R627 D628	P624-D626 VanDerWaalsContact C-N 3.34Å; P624-D626 PolarHBondContact O-N 3.46Å; P624-R627 WeakPolarHBondContact O-CB 3.34Å; P624-R627 PolarHBondContact O-N 2.92Å; P624-R627 VanDerWaalsContact O-N 3.13Å; P624-D628 PolarHBondContact O-N 2.94Å
625	R	90.6	Very high	90.2	Very high	188 Å²	188	74 Å²	74	71%	0.709	36%	0.36	S	S	*	.	H	α-helix	trans	-59.5	-39.4	177.4	-173.7	176.1	-178.2	169.3	1.6	113.5	R623 R627 D628 D629	R623-R625 VanDerWaalsContact C-N 3.29Å; R623-R625 PolarHBondContact O-N 3.49Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 2.72Å; R625-D628 PolarHBondContact O-N 3.08Å; R625-D629 WeakPolarHBondContact O-CB 3.36Å; R625-D629 PolarHBondContact O-N 2.93Å
626	D	89.9	Confident	90.2	Very high	51 Å²	51	75.7 Å²	75.7	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-68.6	-33	-179.7	-47.3	-24.3	0	0	0	110.8	F622 R623 P624 M630	F622-D626 HydrophobicContact CD2-CB 3.63Å; F622-D626 HydrophobicContact CE2-CB 3.88Å; R623-D626 WeakPolarHBondContact CB-OD2 3.46Å; R623-D626 WeakPolarHBondContact CG-OD2 3.47Å; R623-D626 PolarHBondContact N-OD2 3.36Å; R623-D626 PolarHBondContact O-N 2.96Å; P624-D626 VanDerWaalsContact C-N 3.34Å; P624-D626 PolarHBondContact O-N 3.46Å; D626-M630 WeakPolarHBondContact O-CB 3.49Å; D626-M630 PolarHBondContact O-N 2.67Å
627	R	90.3	Very high	90.5	Very high	55 Å²	55	73.7 Å²	73.7	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-71.2	-43	174.3	-65.4	-179.7	-65.4	-177.1	12.8	111.6	L606 K607 C609 F622 R623 P624 R625 M630 V631	L606-R627 WeakPolarHBondContact O-CD 3.32Å; K607-R627 PolarHBondContact O-NH1 2.95Å; K607-R627 VanDerWaalsContact O-NH1 3.07Å; C609-R627 PolarHBondContact O-NH1 3.27Å; F622-R627 HydrophobicContact CD1-CG 3.72Å; F622-R627 HydrophobicContact CD2-CG 3.99Å; F622-R627 HydrophobicContact CE1-CG 3.54Å; F622-R627 HydrophobicContact CE2-CG 3.8Å; F622-R627 HydrophobicContact CG-CG 3.94Å; F622-R627 HydrophobicContact CZ-CB 4.36Å; F622-R627 HydrophobicContact CZ-CG 3.58Å; R623-R627 WeakPolarHBondContact O-CG 3.33Å; R623-R627 PolarHBondContact O-N 2.85Å; P624-R627 WeakPolarHBondContact O-CB 3.34Å; P624-R627 PolarHBondContact O-N 2.92Å; P624-R627 VanDerWaalsContact O-N 3.13Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 2.72Å; R627-M630 WeakPolarHBondContact O-CB 3.33Å; R627-M630 PolarHBondContact O-N 2.75Å; R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 3.03Å
628	D	89.2	Confident	90.7	Very high	94 Å²	94	73.6 Å²	73.6	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-38.7	176.6	-61.4	-31	0	0	0	111.9	P624 R625 V631 K632	P624-D628 PolarHBondContact O-N 2.94Å; R625-D628 PolarHBondContact O-N 3.08Å; D628-V631 PolarHBondContact O-N 2.84Å; D628-K632 PolarHBondContact O-N 3.34Å
629	D	90.4	Very high	90.4	Very high	59 Å²	59	70.9 Å²	70.9	32%	0.316	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-41.2	172.4	-96.1	28.3	0	0	0	111.4	R625 K632 K633	R625-D629 WeakPolarHBondContact O-CB 3.36Å; R625-D629 PolarHBondContact O-N 2.93Å; D629-K632 PolarHBondContact O-N 2.92Å; D629-K633 HydrophobicContact CB-CD 4.31Å; D629-K633 WeakPolarHBondContact O-CB 3.49Å; D629-K633 VanDerWaalsContact O-CG 3.3Å; D629-K633 WeakPolarHBondContact O-CG 3.43Å; D629-K633 PolarHBondContact O-N 3.32Å; D629-K633 WeakPolarHBondContact OD2-CE 3.45Å; D629-K633 IonicContact OD2-NZ 3.25Å; D629-K633 PolarHBondContact OD2-NZ 3.32Å
630	M	90.8	Very high	89.9	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-46.8	173.8	-170.8	72.7	69	0	0	111.4	Y489 L606 I612 F622 D626 R627 I634 I635	Y489-M630 HydrophobicContact CD1-CE 4.07Å; Y489-M630 HydrophobicContact CD1-SD 3.99Å; Y489-M630 HydrophobicContact CD2-SD 4.15Å; Y489-M630 HydrophobicContact CE1-CE 3.47Å; Y489-M630 VanDerWaalsContact CE1-CE 3.47Å; Y489-M630 HydrophobicContact CE1-SD 3.85Å; Y489-M630 HydrophobicContact CE2-CE 4.43Å; Y489-M630 HydrophobicContact CE2-SD 4.01Å; Y489-M630 HydrophobicContact CG-SD 4.13Å; L606-M630 HydrophobicContact CD1-CG 4.4Å; I612-M630 HydrophobicContact CD1-CE 3.5Å; I612-M630 VanDerWaalsContact CD1-CE 3.5Å; F622-M630 HydrophobicContact CE2-CE 4.12Å; F622-M630 HydrophobicContact CZ-CB 4.4Å; F622-M630 HydrophobicContact CZ-CE 4.04Å; D626-M630 WeakPolarHBondContact O-CB 3.49Å; D626-M630 PolarHBondContact O-N 2.67Å; R627-M630 WeakPolarHBondContact O-CB 3.33Å; R627-M630 PolarHBondContact O-N 2.75Å; M630-I634 WeakPolarHBondContact O-CB 3.33Å; M630-I634 PolarHBondContact O-N 2.84Å; M630-I634 HydrophobicContact SD-CB 4.3Å; M630-I634 HydrophobicContact SD-CG1 3.8Å; M630-I635 HydrophobicContact CG-CD1 4.21Å; M630-I635 PolarHBondContact O-N 3.28Å
631	V	91	Very high	89.5	Confident	39 Å²	39	68.6 Å²	68.6	24%	0.236	35%	0.348	C	S	.	.	I	π-helix	trans	-58.1	-53.1	178.2	171.3	0	0	0	0	110.3	R627 D628 I635 E636	R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 3.03Å; D628-V631 PolarHBondContact O-N 2.84Å; V631-I635 HydrophobicContact CG2-CD1 4.12Å; V631-I635 WeakPolarHBondContact O-CB 3.47Å; V631-I635 PolarHBondContact O-N 3.41Å; V631-I635 VanDerWaalsContact O-N 3.14Å; V631-E636 HydrophobicContact CG1-CG 4.22Å; V631-E636 PolarHBondContact O-N 3.11Å
632	K	90.3	Very high	88.9	Confident	134 Å²	134	67.1 Å²	67.1	58%	0.583	33%	0.332	S	S	*	.	I	π-helix	trans	-72.2	-34.9	-175.1	-71.7	175.2	175.4	175	0	114.8	D628 D629 P637	D628-K632 PolarHBondContact O-N 3.34Å; D629-K632 PolarHBondContact O-N 2.92Å; K632-P637 WeakPolarHBondContact O-CD 3.42Å
633	K	91.1	Very high	88.7	Confident	131 Å²	131	67 Å²	67	57%	0.57	33%	0.332	S	S	*	.	I	π-helix	trans	-91.1	-26.4	-173.4	-65	171.2	176.7	173.9	0	113.6	D629	D629-K633 HydrophobicContact CB-CD 4.31Å; D629-K633 WeakPolarHBondContact O-CB 3.49Å; D629-K633 VanDerWaalsContact O-CG 3.3Å; D629-K633 WeakPolarHBondContact O-CG 3.43Å; D629-K633 PolarHBondContact O-N 3.32Å; D629-K633 WeakPolarHBondContact OD2-CE 3.45Å; D629-K633 IonicContact OD2-NZ 3.25Å; D629-K633 PolarHBondContact OD2-NZ 3.32Å
634	I	91.9	Very high	88.5	Confident	19 Å²	19	64.4 Å²	64.4	10%	0.097	32%	0.322	C	S	.	.	I	π-helix	trans	-119.1	-52.8	-173.4	-48.7	-58.4	0	0	0	111.1	Y489 H494 M630 M638	Y489-I634 HydrophobicContact CD2-CD1 3.9Å; Y489-I634 HydrophobicContact CD2-CG1 3.85Å; Y489-I634 HydrophobicContact CD2-CG2 4.07Å; Y489-I634 HydrophobicContact CE2-CD1 3.97Å; Y489-I634 HydrophobicContact CE2-CG1 4Å; Y489-I634 HydrophobicContact CG-CG2 4.44Å; H494-I634 HydrophobicContact CB-CD1 3.97Å; M630-I634 WeakPolarHBondContact O-CB 3.33Å; M630-I634 PolarHBondContact O-N 2.84Å; M630-I634 HydrophobicContact SD-CB 4.3Å; M630-I634 HydrophobicContact SD-CG1 3.8Å; I634-M638 HydrophobicContact CG2-CE 3.65Å; I634-M638 HydrophobicContact CG2-SD 4.17Å; I634-M638 WeakPolarHBondContact O-CB 3.37Å; I634-M638 VanDerWaalsContact O-CG 3.27Å; I634-M638 WeakPolarHBondContact O-CG 3.45Å; I634-M638 PolarHBondContact O-N 3.08Å
635	I	91.1	Very high	88.6	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.051	30%	0.302	C	S	.	.	I	π-helix	trans	-80.4	-42.6	-166	-53.2	178.8	0	0	0	111.9	S602 L606 M630 V631 M638 A639 T645 V676	S602-I635 VanDerWaalsContact OG-CG2 3.3Å; S602-I635 WeakPolarHBondContact OG-CG2 3.33Å; L606-I635 HydrophobicContact CD1-CD1 3.18Å; M630-I635 HydrophobicContact CG-CD1 4.21Å; M630-I635 PolarHBondContact O-N 3.28Å; V631-I635 HydrophobicContact CG2-CD1 4.12Å; V631-I635 WeakPolarHBondContact O-CB 3.47Å; V631-I635 PolarHBondContact O-N 3.41Å; V631-I635 VanDerWaalsContact O-N 3.14Å; I635-M638 PolarHBondContact O-N 3.06Å; I635-A639 WeakPolarHBondContact O-CB 3.49Å; I635-A639 PolarHBondContact O-N 3.1Å; I635-T645 HydrophobicContact CG2-CG2 3.93Å; I635-V676 HydrophobicContact CD1-CG1 4.46Å; I635-V676 HydrophobicContact CG1-CG1 4.33Å
636	E	88.9	Confident	88.7	Confident	97 Å²	97	53 Å²	53	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-49.4	173.2	-77	172.5	-166.4	0	0	110.7	V631 M638 A639 C640	V631-E636 HydrophobicContact CG1-CG 4.22Å; V631-E636 PolarHBondContact O-N 3.11Å; E636-M638 PolarHBondContact O-N 3.23Å; E636-A639 PolarHBondContact O-N 3.11Å; E636-C640 PolarHBondContact O-N 3.04Å; E636-C640 PolarHBondContact O-SG 3.49Å; E636-C640 VanDerWaalsContact O-SG 3.37Å
637	P	90.1	Very high	89	Confident	53 Å²	53	50.6 Å²	50.6	34%	0.344	26%	0.259	S	S	.	.	H	α-helix	trans	-56.8	-46.2	170.5	-31.1	38.6	0	0	0	114.8	K632 A639 C640 D641	K632-P637 WeakPolarHBondContact O-CD 3.42Å; P637-A639 VanDerWaalsContact C-N 3.28Å; P637-A639 PolarHBondContact O-N 3.34Å; P637-C640 WeakPolarHBondContact O-CB 3.45Å; P637-C640 PolarHBondContact O-N 3.1Å; P637-C640 VanDerWaalsContact O-N 3.15Å; P637-D641 PolarHBondContact O-N 2.72Å
638	M	89.7	Confident	89.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-40.4	174.9	-77.4	-179.1	-177.7	0	0	111.9	Q487 H494 I634 I635 E636 D641 G642 L643 T645	Q487-M638 HydrophobicContact CB-CE 3.9Å; H494-M638 WeakPolarHBondContact NE2-CE 3.15Å; I634-M638 HydrophobicContact CG2-CE 3.65Å; I634-M638 HydrophobicContact CG2-SD 4.17Å; I634-M638 WeakPolarHBondContact O-CB 3.37Å; I634-M638 VanDerWaalsContact O-CG 3.27Å; I634-M638 WeakPolarHBondContact O-CG 3.45Å; I634-M638 PolarHBondContact O-N 3.08Å; I635-M638 PolarHBondContact O-N 3.06Å; E636-M638 PolarHBondContact O-N 3.23Å; M638-D641 PolarHBondContact O-N 3.3Å; M638-G642 PolarHBondContact O-N 3.36Å; M638-L643 HydrophobicContact CB-CB 4.39Å; M638-L643 HydrophobicContact CB-CD1 4.15Å; M638-L643 HydrophobicContact CG-CD1 4.14Å; M638-L643 WeakPolarHBondContact O-CB 3.27Å; M638-L643 VanDerWaalsContact O-CG 3.31Å; M638-L643 WeakPolarHBondContact O-CG 3.43Å; M638-L643 PolarHBondContact O-N 2.7Å; M638-T645 HydrophobicContact CB-CG2 3.48Å; M638-T645 VanDerWaalsContact CB-CG2 3.48Å; M638-T645 HydrophobicContact CG-CG2 4.33Å; M638-T645 HydrophobicContact SD-CG2 3.91Å
639	A	82.6	Confident	89.7	Confident	42 Å²	42	43.6 Å²	43.6	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-72.3	-29.9	177.4	0	0	0	0	0	113	I635 E636 P637 G642	I635-A639 WeakPolarHBondContact O-CB 3.49Å; I635-A639 PolarHBondContact O-N 3.1Å; E636-A639 PolarHBondContact O-N 3.11Å; P637-A639 VanDerWaalsContact C-N 3.28Å; P637-A639 PolarHBondContact O-N 3.34Å; A639-G642 WeakPolarHBondContact O-CA 3.4Å; A639-G642 PolarHBondContact O-N 2.81Å; A639-G642 VanDerWaalsContact O-N 3.17Å
640	C	81.4	Confident	90	Very high	81 Å²	81	41.7 Å²	41.7	55%	0.547	21%	0.214	S	C	.	.	H	α-helix	trans	-70.3	-36.5	171	-74.2	0	0	0	0	112.6	E636 P637 G642	E636-C640 PolarHBondContact O-N 3.04Å; E636-C640 PolarHBondContact O-SG 3.49Å; E636-C640 VanDerWaalsContact O-SG 3.37Å; P637-C640 WeakPolarHBondContact O-CB 3.45Å; P637-C640 PolarHBondContact O-N 3.1Å; P637-C640 VanDerWaalsContact O-N 3.15Å; C640-G642 PolarHBondContact O-N 3.03Å; C640-G642 VanDerWaalsContact O-N 3.17Å
641	D	83.8	Confident	90.2	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.2	168.1	-76.2	-12	0	0	0	112.4	Q487 P637 M638 L643 A714	Q487-D641 PolarHBondContact NE2-OD2 3.2Å; P637-D641 PolarHBondContact O-N 2.72Å; M638-D641 PolarHBondContact O-N 3.3Å; D641-L643 HydrophobicContact CB-CD1 4.39Å; D641-L643 HydrophobicContact CB-CG 4.06Å; D641-A714 WeakPolarHBondContact O-CB 3.39Å
642	G	80.4	Confident	90.2	Very high	8 Å²	8	45.3 Å²	45.3	8%	0.082	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	1	177.5	0	0	0	0	0	115.1	M638 A639 C640 T711	M638-G642 PolarHBondContact O-N 3.36Å; A639-G642 WeakPolarHBondContact O-CA 3.4Å; A639-G642 PolarHBondContact O-N 2.81Å; A639-G642 VanDerWaalsContact O-N 3.17Å; C640-G642 PolarHBondContact O-N 3.03Å; C640-G642 VanDerWaalsContact O-N 3.17Å; G642-T711 WeakPolarHBondContact O-CG2 3.45Å; G642-T711 PolarHBondContact O-OG1 2.73Å
643	L	88.3	Confident	90.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.042	21%	0.207	C	C	.	.			trans	-76.5	141.2	-171.8	-45.7	179.1	0	0	0	112.3	Q487 M638 D641 T645 E680	Q487-L643 HydrophobicContact CB-CD1 3.94Å; Q487-L643 VanDerWaalsContact CD-CD1 3.49Å; Q487-L643 HydrophobicContact CG-CD1 3.57Å; M638-L643 HydrophobicContact CB-CB 4.39Å; M638-L643 HydrophobicContact CB-CD1 4.15Å; M638-L643 HydrophobicContact CG-CD1 4.14Å; M638-L643 WeakPolarHBondContact O-CB 3.27Å; M638-L643 VanDerWaalsContact O-CG 3.31Å; M638-L643 WeakPolarHBondContact O-CG 3.43Å; M638-L643 PolarHBondContact O-N 2.7Å; D641-L643 HydrophobicContact CB-CD1 4.39Å; D641-L643 HydrophobicContact CB-CG 4.06Å; L643-T645 PolarHBondContact O-N 2.88Å; L643-E680 HydrophobicContact CD2-CB 3.65Å; L643-E680 HydrophobicContact CD2-CG 3.7Å; L643-E680 WeakPolarHBondContact CD2-OE2 3.38Å
644	R	86.6	Confident	89.9	Confident	125 Å²	125	37.4 Å²	37.4	47%	0.472	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	109.7	169.8	-178.2	179.7	-175.9	165.6	3.2	109.8	T543 I646 I679	T543-R644 PolarHBondContact OG1-NH1 2.85Å; R644-I646 HydrophobicContact CG-CD1 4.43Å; R644-I679 HydrophobicContact CB-CB 4.46Å; R644-I679 WeakPolarHBondContact CB-O 3.35Å; R644-I679 PolarHBondContact N-O 2.91Å; R644-I679 PolarHBondContact O-N 2.89Å
645	T	91.9	Very high	89.2	Confident	17 Å²	17	39.7 Å²	39.7	10%	0.104	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.1	-176.2	52.1	0	0	0	0	112.8	S602 I635 M638 L643 V677	S602-T645 PolarHBondContact N-O 2.93Å; S602-T645 VanDerWaalsContact OG-CB 3.3Å; S602-T645 WeakPolarHBondContact OG-CB 3.31Å; S602-T645 PolarHBondContact OG-O 3.46Å; S602-T645 PolarHBondContact OG-OG1 3.21Å; I635-T645 HydrophobicContact CG2-CG2 3.93Å; M638-T645 HydrophobicContact CB-CG2 3.48Å; M638-T645 VanDerWaalsContact CB-CG2 3.48Å; M638-T645 HydrophobicContact CG-CG2 4.33Å; M638-T645 HydrophobicContact SD-CG2 3.91Å; L643-T645 PolarHBondContact O-N 2.88Å; T645-V677 WeakPolarHBondContact CA-O 3.45Å
646	I	94.2	Very high	88.3	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.062	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.5	177.7	-61.8	-60.6	0	0	0	109.4	T543 G600 R644 V676 V677 I679	T543-I646 HydrophobicContact CG2-CD1 4.49Å; T543-I646 HydrophobicContact CG2-CG1 4.27Å; G600-I646 WeakPolarHBondContact O-CA 3.21Å; R644-I646 HydrophobicContact CG-CD1 4.43Å; I646-V676 CarbonylContact O-C 3.58Å; I646-V676 WeakPolarHBondContact O-CA 3.45Å; I646-V677 HydrophobicContact CB-CG2 4.04Å; I646-V677 PolarHBondContact N-O 3.49Å; I646-V677 PolarHBondContact O-N 3.29Å; I646-I679 HydrophobicContact CB-CD1 4.31Å; I646-I679 HydrophobicContact CG1-CD1 3.76Å
647	C	96.3	Very high	87.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.4	168.5	179.2	0	0	0	0	109.8	K599 G600 L605 L606 A675 V676	K599-C647 WeakPolarHBondContact CA-O 3.34Å; G600-C647 PolarHBondContact N-O 3.45Å; G600-C647 VanDerWaalsContact N-O 3.16Å; G600-C647 PolarHBondContact O-N 2.85Å; L605-C647 HydrophobicContact CB-CB 3.81Å; L605-C647 HydrophobicContact CD2-CB 4.14Å; L605-C647 WeakPolarHBondContact CD2-O 3.39Å; L606-C647 HydrophobicContact CG-CB 4.33Å; C647-A675 WeakPolarHBondContact CA-O 3.42Å; C647-V676 HydrophobicContact CB-CG2 4.33Å
648	I	97.2	Very high	86.7	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.5	177	-47.5	176.1	0	0	0	106.8	L512 A515 I516 L547 I674 A675 V677	L512-I648 HydrophobicContact CD1-CD1 4.01Å; A515-I648 HydrophobicContact CB-CG2 3.98Å; I516-I648 HydrophobicContact CD1-CD1 3.81Å; I516-I648 HydrophobicContact CG1-CD1 3.82Å; L547-I648 HydrophobicContact CD2-CD1 4Å; I648-I674 HydrophobicContact CG2-CD1 4.15Å; I648-I674 WeakPolarHBondContact O-CB 3.32Å; I648-I674 PolarHBondContact O-N 2.85Å; I648-A675 HydrophobicContact CB-CB 4.37Å; I648-A675 HydrophobicContact CD1-CB 4.34Å; I648-A675 PolarHBondContact N-O 3.28Å; I648-A675 PolarHBondContact O-N 3.35Å; I648-V677 HydrophobicContact CD1-CG1 4.47Å; I648-V677 HydrophobicContact CD1-CG2 4.38Å
649	A	96.8	Very high	86.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.9	-172	0	0	0	0	0	112.3	S598 L605 L671 T672	S598-A649 PolarHBondContact N-O 2.69Å; S598-A649 PolarHBondContact O-N 3.15Å; S598-A649 VanDerWaalsContact O-O 3.12Å; L605-A649 HydrophobicContact CD2-CB 3.93Å; A649-L671 HydrophobicContact CB-CB 4.03Å; A649-L671 HydrophobicContact CB-CD1 4.19Å; A649-T672 CarbonylContact C-O 3.54Å; A649-T672 WeakPolarHBondContact CA-O 3.34Å; A649-T672 VanDerWaalsContact CB-O 3.28Å; A649-T672 WeakPolarHBondContact CB-O 3.49Å
650	Y	96.3	Very high	86.4	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165	173.2	79.7	-73.5	0	0	0	112.7	L511 L596 D652 T672 I674	L511-Y650 HydrophobicContact CD1-CD1 4.47Å; L511-Y650 HydrophobicContact CD1-CE1 4Å; L511-Y650 HydrophobicContact CD1-CE2 4.29Å; L511-Y650 HydrophobicContact CD2-CD1 3.82Å; L511-Y650 HydrophobicContact CD2-CE1 3.9Å; L511-Y650 HydrophobicContact CD2-CG 4.43Å; L596-Y650 CarbonylContact O-C 3.59Å; L596-Y650 WeakPolarHBondContact O-CA 3.08Å; L596-Y650 WeakPolarHBondContact O-CB 3.33Å; Y650-D652 WeakPolarHBondContact CD2-OD1 3.22Å; Y650-T672 HydrophobicContact CD1-CG2 4.18Å; Y650-T672 HydrophobicContact CE1-CG2 3.54Å; Y650-T672 PolarHBondContact N-O 3.36Å; Y650-T672 PolarHBondContact O-N 2.8Å; Y650-I674 HydrophobicContact CD1-CD1 3.81Å; Y650-I674 HydrophobicContact CD1-CG1 3.65Å; Y650-I674 HydrophobicContact CE1-CG1 4.23Å; Y650-I674 HydrophobicContact CG-CD1 4.42Å
651	R	94.3	Very high	86.6	Confident	45 Å²	45	53.3 Å²	53.3	17%	0.17	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140.8	169.6	179.6	170.6	-177.1	-162.7	14.9	110.2	R595 L596 F653 E666 V667 G669 D670 L671	R595-R651 WeakPolarHBondContact CA-O 3.35Å; L596-R651 PolarHBondContact N-O 3.1Å; L596-R651 PolarHBondContact O-N 2.61Å; R651-F653 HydrophobicContact CB-CE2 4.24Å; R651-F653 HydrophobicContact CG-CD2 4.45Å; R651-F653 HydrophobicContact CG-CE1 4.37Å; R651-F653 HydrophobicContact CG-CE2 3.89Å; R651-F653 HydrophobicContact CG-CZ 3.86Å; R651-E666 PolarHBondContact NH1-O 3.4Å; R651-V667 PolarHBondContact NH1-O 3.25Å; R651-G669 WeakPolarHBondContact CD-O 3.39Å; R651-G669 PolarHBondContact NH1-O 2.75Å; R651-D670 IonicContact CZ-OD2 3.15Å; R651-D670 IonicContact NH2-OD2 3.73Å; R651-D670 PolarHBondContact NH2-OD2 2.83Å; R651-L671 HydrophobicContact CB-CD2 3.98Å
652	D	92.1	Very high	86.5	Confident	80 Å²	80	56.2 Å²	56.2	43%	0.428	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141	177	-65	-14.1	0	0	0	109.9	R595 Y650	R595-D652 WeakPolarHBondContact CG-OD1 3.48Å; R595-D652 IonicContact CZ-OD1 3.78Å; R595-D652 IonicContact CZ-OD2 4Å; R595-D652 IonicContact NE-OD1 3.67Å; R595-D652 PolarHBondContact NE-OD1 3.25Å; R595-D652 IonicContact NE-OD2 3.32Å; R595-D652 IonicContact NH2-OD1 3.71Å; R595-D652 PolarHBondContact NH2-OD1 2.85Å; R595-D652 IonicContact NH2-OD2 2.82Å; R595-D652 PolarHBondContact NH2-OD2 2.99Å; Y650-D652 WeakPolarHBondContact CD2-OD1 3.22Å
653	F	90.4	Very high	86.7	Confident	30 Å²	30	58.8 Å²	58.8	13%	0.132	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.5	178.4	-59.6	-92.3	0	0	0	109.5	G593 F594 L596 R651 P659 W661 V667	G593-F653 WeakPolarHBondContact CA-O 3.46Å; F594-F653 HydrophobicContact CB-CB 4.32Å; F594-F653 PolarHBondContact N-O 3.4Å; F594-F653 PolarHBondContact O-N 3.12Å; L596-F653 HydrophobicContact CB-CE2 3.83Å; R651-F653 HydrophobicContact CB-CE2 4.24Å; R651-F653 HydrophobicContact CG-CD2 4.45Å; R651-F653 HydrophobicContact CG-CE1 4.37Å; R651-F653 HydrophobicContact CG-CE2 3.89Å; R651-F653 HydrophobicContact CG-CZ 3.86Å; F653-P659 HydrophobicContact CB-CG 4.23Å; F653-P659 HydrophobicContact CD1-CB 4.47Å; F653-P659 HydrophobicContact CD1-CG 3.36Å; F653-P659 HydrophobicContact CE1-CB 4.42Å; F653-P659 HydrophobicContact CE1-CG 3.73Å; F653-P659 HydrophobicContact CG-CG 3.82Å; F653-P659 HydrophobicContact CZ-CG 4.46Å; F653-W661 HydrophobicContact CD2-CH2 4.39Å; F653-V667 HydrophobicContact CZ-CG1 4.11Å
654	S	84.7	Confident	86.2	Confident	69 Å²	69	60.2 Å²	60.2	48%	0.483	31%	0.31	S	S	.	.			trans	-69.2	151.9	-178.8	80.4	0	0	0	0	112.2	I656	S654-I656 PolarHBondContact O-N 3.11Å; S654-I656 VanDerWaalsContact O-N 3.09Å; S654-I656 PolarHBondContact OG-N 3.12Å
655	A	75.6	Confident	86	Confident	66 Å²	66	60.3 Å²	60.3	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.7	173.5	0	0	0	0	0	114.8
656	I	72.5	Confident	85.6	Confident	161 Å²	161	65.2 Å²	65.2	83%	0.826	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-28.5	-171	-57	175	0	0	0	111.9	S654	S654-I656 PolarHBondContact O-N 3.11Å; S654-I656 VanDerWaalsContact O-N 3.09Å; S654-I656 PolarHBondContact OG-N 3.12Å
657	Q	68.9	Low	85.3	Confident	160 Å²	160	64.7 Å²	64.7	75%	0.748	34%	0.339	S	S	*	.	S	Bend	trans	-146.3	113.6	-176.7	-168.9	171.8	13.5	0	0	109.6
658	E	77	Confident	84.9	Confident	106 Å²	106	64.8 Å²	64.8	50%	0.495	34%	0.339	S	S	.	.			trans	-76.2	126.9	178.7	-171.7	168	-179.8	0	0	110.4	Y571 F594 W661	Y571-E658 PolarHBondContact OH-OE1 3.27Å; F594-E658 HydrophobicContact CE2-CG 4.14Å; F594-E658 HydrophobicContact CZ-CG 4.37Å; E658-W661 HydrophobicContact CG-CZ2 4.29Å; E658-W661 VanDerWaalsContact CG-NE1 3.27Å; E658-W661 PolarHBondContact OE1-NE1 3.43Å
659	P	81.4	Confident	84.5	Confident	26 Å²	26	65.3 Å²	65.3	17%	0.169	35%	0.346	C	S	.	.			trans	-62.1	152.6	174.9	-23.1	33.6	0	0	0	112.9	F653 W661 V667	F653-P659 HydrophobicContact CB-CG 4.23Å; F653-P659 HydrophobicContact CD1-CB 4.47Å; F653-P659 HydrophobicContact CD1-CG 3.36Å; F653-P659 HydrophobicContact CE1-CB 4.42Å; F653-P659 HydrophobicContact CE1-CG 3.73Å; F653-P659 HydrophobicContact CG-CG 3.82Å; F653-P659 HydrophobicContact CZ-CG 4.46Å; P659-W661 HydrophobicContact CB-CD2 4.44Å; P659-W661 HydrophobicContact CB-CE3 4.41Å; P659-W661 HydrophobicContact CB-CH2 4.37Å; P659-W661 HydrophobicContact CB-CZ2 4.4Å; P659-W661 HydrophobicContact CB-CZ3 4.37Å; P659-W661 HydrophobicContact CG-CH2 3.88Å; P659-W661 HydrophobicContact CG-CZ2 4.01Å; P659-W661 HydrophobicContact CG-CZ3 4.27Å; P659-W661 VanDerWaalsContact O-CD1 3.29Å; P659-W661 PolarHBondContact O-N 3.3Å; P659-W661 PolarHBondContact O-NE1 2.89Å; P659-V667 HydrophobicContact CB-CG2 4.07Å
660	N	84.5	Confident	84.3	Confident	94 Å²	94	69.4 Å²	69.4	50%	0.503	37%	0.368	S	S	.	.			trans	-71.6	96.6	166.2	-179	-4.3	0	0	0	109.9	D662 N663	N660-D662 PolarHBondContact O-N 3.01Å; N660-D662 VanDerWaalsContact O-N 3.1Å; N660-D662 PolarHBondContact OD1-N 2.86Å; N660-D662 VanDerWaalsContact OD1-N 3.09Å; N660-N663 HydrophobicContact CB-CB 4.23Å; N660-N663 PolarHBondContact O-N 2.99Å
661	W	84.8	Confident	84.2	Confident	22 Å²	22	68.5 Å²	68.5	8%	0.083	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.1	-177.6	-55.6	109.1	0	0	0	115.2	Y571 K572 Y574 V586 F594 F653 E658 P659 V667	Y571-W661 HydrophobicContact CD1-CZ2 4.37Å; Y571-W661 AromaticContact CE1-CD1 3.86Å; Y571-W661 HydrophobicContact CE1-CD2 4.42Å; Y571-W661 AromaticContact CE1-CE2 3.78Å; Y571-W661 HydrophobicContact CE1-CG 4.44Å; Y571-W661 HydrophobicContact CE1-CZ2 4.23Å; Y571-W661 AromaticContact CE1-NE1 3.43Å; K572-W661 HydrophobicContact CD-CB 4.37Å; Y574-W661 WeakPolarHBondContact CE1-O 3.25Å; Y574-W661 WeakPolarHBondContact OH-CA 3.42Å; Y574-W661 PolarHBondContact OH-O 3.41Å; V586-W661 HydrophobicContact CB-CZ3 4.35Å; V586-W661 HydrophobicContact CG1-CE3 4.49Å; V586-W661 HydrophobicContact CG1-CH2 3.64Å; V586-W661 HydrophobicContact CG1-CZ2 4.28Å; V586-W661 HydrophobicContact CG1-CZ3 3.77Å; V586-W661 HydrophobicContact CG2-CE3 3.98Å; V586-W661 HydrophobicContact CG2-CH2 4.35Å; V586-W661 HydrophobicContact CG2-CZ3 3.61Å; F594-W661 HydrophobicContact CB-CH2 3.85Å; F594-W661 HydrophobicContact CB-CZ2 4.15Å; F594-W661 HydrophobicContact CD1-CH2 4.29Å; F594-W661 AromaticContact CD1-CZ2 3.89Å; F594-W661 HydrophobicContact CD1-CZ2 3.89Å; F594-W661 HydrophobicContact CD2-CH2 4.4Å; F594-W661 AromaticContact CD2-CZ2 3.89Å; F594-W661 HydrophobicContact CD2-CZ2 3.89Å; F594-W661 HydrophobicContact CE1-CZ2 4.17Å; F594-W661 HydrophobicContact CE2-CZ2 4.17Å; F594-W661 AromaticContact CG-CH2 3.96Å; F594-W661 HydrophobicContact CG-CH2 3.96Å; F594-W661 AromaticContact CG-CZ2 3.73Å; F594-W661 HydrophobicContact CG-CZ2 3.73Å; F594-W661 HydrophobicContact CZ-CZ2 4.3Å; F653-W661 HydrophobicContact CD2-CH2 4.39Å; E658-W661 HydrophobicContact CG-CZ2 4.29Å; E658-W661 VanDerWaalsContact CG-NE1 3.27Å; E658-W661 PolarHBondContact OE1-NE1 3.43Å; P659-W661 HydrophobicContact CB-CD2 4.44Å; P659-W661 HydrophobicContact CB-CE3 4.41Å; P659-W661 HydrophobicContact CB-CH2 4.37Å; P659-W661 HydrophobicContact CB-CZ2 4.4Å; P659-W661 HydrophobicContact CB-CZ3 4.37Å; P659-W661 HydrophobicContact CG-CH2 3.88Å; P659-W661 HydrophobicContact CG-CZ2 4.01Å; P659-W661 HydrophobicContact CG-CZ3 4.27Å; P659-W661 VanDerWaalsContact O-CD1 3.29Å; P659-W661 PolarHBondContact O-N 3.3Å; P659-W661 PolarHBondContact O-NE1 2.89Å; W661-V667 HydrophobicContact CE3-CG1 4.01Å; W661-V667 HydrophobicContact CE3-CG2 4.13Å; W661-V667 HydrophobicContact CZ3-CG1 3.89Å
662	D	82.7	Confident	84.3	Confident	130 Å²	130	66.9 Å²	66.9	70%	0.695	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-16	172.2	-62	-39.3	0	0	0	112	K572 N660 E664	K572-D662 IonicContact NZ-OD1 3.97Å; K572-D662 PolarHBondContact NZ-OD1 3.3Å; N660-D662 PolarHBondContact O-N 3.01Å; N660-D662 VanDerWaalsContact O-N 3.1Å; N660-D662 PolarHBondContact OD1-N 2.86Å; N660-D662 VanDerWaalsContact OD1-N 3.09Å; D662-E664 VanDerWaalsContact C-N 3.33Å; D662-E664 PolarHBondContact O-N 3.32Å; D662-E664 VanDerWaalsContact O-N 3.15Å
663	N	83.9	Confident	84.5	Confident	62 Å²	62	63.1 Å²	63.1	33%	0.332	34%	0.339	S	S	.	.			trans	-86	68.2	168	-168.5	11.1	0	0	0	111.8	N660 N665 E666 V667	N660-N663 HydrophobicContact CB-CB 4.23Å; N660-N663 PolarHBondContact O-N 2.99Å; N663-N665 PolarHBondContact O-N 3.47Å; N663-E666 HydrophobicContact CB-CB 4.4Å; N663-E666 VanDerWaalsContact ND2-CB 3.34Å; N663-E666 WeakPolarHBondContact ND2-CB 3.37Å; N663-E666 PolarHBondContact ND2-OE2 2.89Å; N663-E666 PolarHBondContact O-N 3.01Å; N663-E666 VanDerWaalsContact O-N 3.09Å; N663-V667 PolarHBondContact O-N 3.47Å
664	E	79.1	Confident	84.7	Confident	37 Å²	37	61.9 Å²	61.9	17%	0.173	33%	0.334	C	S	.	.	H	α-helix	trans	-55.2	-30.3	-175.7	-170.1	-173.6	144.6	0	0	113.7	Y574 R580 D662 E666 V667 V668	Y574-E664 HydrophobicContact CD1-CB 4.04Å; Y574-E664 HydrophobicContact CD1-CG 3.49Å; Y574-E664 VanDerWaalsContact CD1-CG 3.49Å; Y574-E664 WeakPolarHBondContact CD1-OE2 3.5Å; Y574-E664 HydrophobicContact CE1-CB 3.82Å; Y574-E664 HydrophobicContact CE1-CG 3.66Å; Y574-E664 HydrophobicContact CG-CG 3.94Å; R580-E664 VanDerWaalsContact CD-OE1 3.23Å; R580-E664 WeakPolarHBondContact CD-OE1 3.26Å; R580-E664 VanDerWaalsContact CZ-CD 3.47Å; R580-E664 IonicContact CZ-OE1 3.98Å; R580-E664 IonicContact CZ-OE2 2.73Å; R580-E664 IonicContact NE-OE1 2.71Å; R580-E664 PolarHBondContact NE-OE1 3.47Å; R580-E664 IonicContact NH1-OE1 2.69Å; R580-E664 PolarHBondContact NH1-OE1 2.83Å; R580-E664 IonicContact NH1-OE2 2.64Å; R580-E664 PolarHBondContact NH1-OE2 3.16Å; R580-E664 IonicContact NH2-OE1 3.5Å; R580-E664 IonicContact NH2-OE2 2.69Å; R580-E664 PolarHBondContact NH2-OE2 2.68Å; D662-E664 VanDerWaalsContact C-N 3.33Å; D662-E664 PolarHBondContact O-N 3.32Å; D662-E664 VanDerWaalsContact O-N 3.15Å; E664-E666 VanDerWaalsContact C-N 3.33Å; E664-E666 PolarHBondContact O-N 2.83Å; E664-V667 PolarHBondContact O-N 2.92Å; E664-V668 HydrophobicContact CG-CG2 3.66Å; E664-V668 WeakPolarHBondContact O-CB 3.23Å; E664-V668 WeakPolarHBondContact O-CG2 3.29Å; E664-V668 PolarHBondContact O-N 3.01Å
665	N	82.4	Confident	85.2	Confident	128 Å²	128	58.7 Å²	58.7	68%	0.684	31%	0.311	S	S	*	.	H	α-helix	trans	-65.6	-35	-179.8	-83.6	-37.2	0	0	0	113.3	N663	N663-N665 PolarHBondContact O-N 3.47Å
666	E	83.7	Confident	86.1	Confident	120 Å²	120	55.5 Å²	55.5	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-78.2	-41.2	176.7	179.7	179	-167.1	0	0	111.3	R651 N663 E664 G669	R651-E666 PolarHBondContact NH1-O 3.4Å; N663-E666 HydrophobicContact CB-CB 4.4Å; N663-E666 VanDerWaalsContact ND2-CB 3.34Å; N663-E666 WeakPolarHBondContact ND2-CB 3.37Å; N663-E666 PolarHBondContact ND2-OE2 2.89Å; N663-E666 PolarHBondContact O-N 3.01Å; N663-E666 VanDerWaalsContact O-N 3.09Å; E664-E666 VanDerWaalsContact C-N 3.33Å; E664-E666 PolarHBondContact O-N 2.83Å; E666-G669 PolarHBondContact O-N 2.77Å
667	V	87.2	Confident	87.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-49.8	176.3	174.7	0	0	0	0	111	Y574 L596 R651 F653 P659 W661 N663 E664 G669	Y574-V667 HydrophobicContact CE2-CG1 4.16Å; L596-V667 HydrophobicContact CD1-CG1 4.17Å; L596-V667 HydrophobicContact CD2-CG1 4.13Å; R651-V667 PolarHBondContact NH1-O 3.25Å; F653-V667 HydrophobicContact CZ-CG1 4.11Å; P659-V667 HydrophobicContact CB-CG2 4.07Å; W661-V667 HydrophobicContact CE3-CG1 4.01Å; W661-V667 HydrophobicContact CE3-CG2 4.13Å; W661-V667 HydrophobicContact CZ3-CG1 3.89Å; N663-V667 PolarHBondContact O-N 3.47Å; E664-V667 PolarHBondContact O-N 2.92Å; V667-G669 PolarHBondContact O-N 2.72Å; V667-G669 VanDerWaalsContact O-N 3.08Å
668	V	87	Confident	88.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	45.3	179.8	-163.8	0	0	0	0	110.8	L596 K608 E664 L671	L596-V668 HydrophobicContact CD2-CG2 4.23Å; K608-V668 HydrophobicContact CD-CG1 4.43Å; K608-V668 VanDerWaalsContact CD-O 3.26Å; K608-V668 WeakPolarHBondContact CD-O 3.31Å; K608-V668 PolarHBondContact NZ-O 3.31Å; E664-V668 HydrophobicContact CG-CG2 3.66Å; E664-V668 WeakPolarHBondContact O-CB 3.23Å; E664-V668 WeakPolarHBondContact O-CG2 3.29Å; E664-V668 PolarHBondContact O-N 3.01Å; V668-L671 HydrophobicContact CG1-CD1 4.26Å
669	G	88.9	Confident	89.1	Confident	14 Å²	14	35.2 Å²	35.2	14%	0.144	19%	0.187	C	C	.	.			trans	-112.5	-175.9	165.1	0	0	0	0	0	111.3	R651 E666 V667 L671	R651-G669 WeakPolarHBondContact CD-O 3.39Å; R651-G669 PolarHBondContact NH1-O 2.75Å; E666-G669 PolarHBondContact O-N 2.77Å; V667-G669 PolarHBondContact O-N 2.72Å; V667-G669 VanDerWaalsContact O-N 3.08Å; G669-L671 WeakPolarHBondContact O-CD2 3.48Å; G669-L671 WeakPolarHBondContact O-CG 3.49Å; G669-L671 PolarHBondContact O-N 2.91Å
670	D	92.3	Very high	89.4	Confident	87 Å²	87	35 Å²	35	47%	0.465	18%	0.183	S	C	.	.	S	Bend	trans	40.1	42	173.4	-48.7	-45.6	0	0	0	116.7	K608 T610 R651	K608-D670 PolarHBondContact O-N 3.45Å; T610-D670 HydrophobicContact CG2-CB 4.38Å; T610-D670 WeakPolarHBondContact OG1-CA 3.47Å; R651-D670 IonicContact CZ-OD2 3.15Å; R651-D670 IonicContact NH2-OD2 3.73Å; R651-D670 PolarHBondContact NH2-OD2 2.83Å
671	L	94.9	Very high	89.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	152.2	-174.2	-56.7	176.8	0	0	0	111.9	L596 L605 K608 C609 T610 N611 A649 R651 V668 G669	L596-L671 HydrophobicContact CD2-CD2 3.98Å; L605-L671 HydrophobicContact CG-CD1 4.08Å; K608-L671 HydrophobicContact CB-CD1 3.99Å; K608-L671 HydrophobicContact CB-CG 4.41Å; K608-L671 PolarHBondContact O-N 3.32Å; C609-L671 CarbonylContact C-O 3.39Å; C609-L671 WeakPolarHBondContact CA-O 3.41Å; C609-L671 HydrophobicContact CB-CB 4.46Å; T610-L671 PolarHBondContact N-O 3.44Å; N611-L671 PolarHBondContact N-O 2.97Å; A649-L671 HydrophobicContact CB-CB 4.03Å; A649-L671 HydrophobicContact CB-CD1 4.19Å; R651-L671 HydrophobicContact CB-CD2 3.98Å; V668-L671 HydrophobicContact CG1-CD1 4.26Å; G669-L671 WeakPolarHBondContact O-CD2 3.48Å; G669-L671 WeakPolarHBondContact O-CG 3.49Å; G669-L671 PolarHBondContact O-N 2.91Å
672	T	95.9	Very high	89.5	Confident	10 Å²	10	31.5 Å²	31.5	6%	0.061	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	164.7	-59.8	0	0	0	0	109.3	N611 L613 L619 A649 Y650 I674	N611-T672 HydrophobicContact CB-CG2 4.13Å; N611-T672 WeakPolarHBondContact O-CA 3.43Å; L613-T672 HydrophobicContact CD2-CG2 4.14Å; L613-T672 HydrophobicContact CG-CG2 4.18Å; L619-T672 HydrophobicContact CD2-CG2 3.42Å; L619-T672 VanDerWaalsContact CD2-CG2 3.42Å; A649-T672 CarbonylContact C-O 3.54Å; A649-T672 WeakPolarHBondContact CA-O 3.34Å; A649-T672 VanDerWaalsContact CB-O 3.28Å; A649-T672 WeakPolarHBondContact CB-O 3.49Å; Y650-T672 HydrophobicContact CD1-CG2 4.18Å; Y650-T672 HydrophobicContact CE1-CG2 3.54Å; Y650-T672 PolarHBondContact N-O 3.36Å; Y650-T672 PolarHBondContact O-N 2.8Å; T672-I674 PolarHBondContact O-N 2.99Å
673	C	95.7	Very high	89.8	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.4	173.3	-176.7	0	0	0	0	110.5	L606 C609 N611 I612 L613 F622	L606-C673 HydrophobicContact CD2-CB 4.25Å; C609-C673 HydrophobicContact CB-CB 4.29Å; N611-C673 PolarHBondContact O-N 2.87Å; I612-C673 WeakPolarHBondContact CA-O 3.36Å; I612-C673 HydrophobicContact CB-CB 4.27Å; I612-C673 HydrophobicContact CD1-CB 4.43Å; I612-C673 HydrophobicContact CG1-CB 4.05Å; L613-C673 PolarHBondContact N-O 3.26Å; L613-C673 VanDerWaalsContact N-O 3.09Å; F622-C673 HydrophobicContact CE1-CB 4.24Å
674	I	95.1	Very high	90	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-48.5	176.8	-55.1	160	0	0	0	109.4	L511 L512 A515 L613 I648 Y650 T672	L511-I674 HydrophobicContact CD2-CB 4.46Å; L511-I674 HydrophobicContact CD2-CD1 3.42Å; L511-I674 VanDerWaalsContact CD2-CD1 3.42Å; L511-I674 HydrophobicContact CD2-CG1 3.55Å; L511-I674 HydrophobicContact CD2-CG2 4.05Å; L512-I674 HydrophobicContact CB-CG2 4.3Å; L512-I674 HydrophobicContact CD1-CG2 4.13Å; A515-I674 HydrophobicContact CB-CD1 3.72Å; L613-I674 HydrophobicContact CD1-CB 4.43Å; L613-I674 HydrophobicContact CD1-CG1 4.39Å; L613-I674 HydrophobicContact CD1-CG2 4.14Å; I648-I674 HydrophobicContact CG2-CD1 4.15Å; I648-I674 WeakPolarHBondContact O-CB 3.32Å; I648-I674 PolarHBondContact O-N 2.85Å; Y650-I674 HydrophobicContact CD1-CD1 3.81Å; Y650-I674 HydrophobicContact CD1-CG1 3.65Å; Y650-I674 HydrophobicContact CE1-CG1 4.23Å; Y650-I674 HydrophobicContact CG-CD1 4.42Å; T672-I674 PolarHBondContact O-N 2.99Å
675	A	95	Very high	90.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	154.2	-170.8	0	0	0	0	0	111.7	Y489 L490 L512 C647 I648	Y489-A675 WeakPolarHBondContact O-CA 3.49Å; L490-A675 HydrophobicContact CD2-CB 3.47Å; L490-A675 VanDerWaalsContact CD2-CB 3.47Å; L490-A675 HydrophobicContact CG-CB 4.4Å; L512-A675 HydrophobicContact CD1-CB 4.09Å; C647-A675 WeakPolarHBondContact CA-O 3.42Å; I648-A675 HydrophobicContact CB-CB 4.37Å; I648-A675 HydrophobicContact CD1-CB 4.34Å; I648-A675 PolarHBondContact N-O 3.28Å; I648-A675 PolarHBondContact O-N 3.35Å
676	V	95.7	Very high	90.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.4	157.6	-177.4	0	0	0	0	107.7	S488 Y489 L606 I635 I646 C647	S488-V676 CarbonylContact C-O 3.53Å; S488-V676 WeakPolarHBondContact CA-O 3.47Å; Y489-V676 PolarHBondContact N-O 3.26Å; Y489-V676 PolarHBondContact O-N 2.98Å; L606-V676 HydrophobicContact CD1-CG2 4.22Å; L606-V676 HydrophobicContact CD2-CG2 4.27Å; I635-V676 HydrophobicContact CD1-CG1 4.46Å; I635-V676 HydrophobicContact CG1-CG1 4.33Å; I646-V676 CarbonylContact O-C 3.58Å; I646-V676 WeakPolarHBondContact O-CA 3.45Å; C647-V676 HydrophobicContact CB-CG2 4.33Å
677	V	96	Very high	91.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.7	-179.2	-64.4	0	0	0	0	111.4	V485 L547 F550 T645 I646 I648 I679	V485-V677 HydrophobicContact CG1-CB 3.92Å; V485-V677 HydrophobicContact CG1-CG1 4.06Å; V485-V677 HydrophobicContact CG2-CB 4.15Å; V485-V677 HydrophobicContact CG2-CG2 4.23Å; L547-V677 HydrophobicContact CD2-CG2 3.68Å; F550-V677 HydrophobicContact CD1-CG1 4.4Å; F550-V677 HydrophobicContact CE1-CG1 3.94Å; F550-V677 HydrophobicContact CZ-CG1 4.45Å; T645-V677 WeakPolarHBondContact CA-O 3.45Å; I646-V677 HydrophobicContact CB-CG2 4.04Å; I646-V677 PolarHBondContact N-O 3.49Å; I646-V677 PolarHBondContact O-N 3.29Å; I648-V677 HydrophobicContact CD1-CG1 4.47Å; I648-V677 HydrophobicContact CD1-CG2 4.38Å; V677-I679 HydrophobicContact CG2-CD1 4.27Å; V677-I679 HydrophobicContact CG2-CG1 4.13Å
678	G	94.2	Very high	91.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.3	172	0	0	0	0	0	109.9	V486 Q487	V486-G678 PolarHBondContact N-O 3.41Å; Q487-G678 PolarHBondContact N-O 2.84Å; Q487-G678 PolarHBondContact O-N 3.02Å
679	I	90.1	Very high	92.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.6	-177.9	-52.4	177	0	0	0	109.6	M483 T484 V485 T543 A546 L547 R644 I646 V677	M483-I679 HydrophobicContact CB-CG2 3.87Å; M483-I679 HydrophobicContact CE-CG2 3.8Å; T484-I679 CarbonylContact O-C 3.15Å; T484-I679 VanDerWaalsContact O-CA 3.25Å; T484-I679 WeakPolarHBondContact O-CA 3.42Å; T484-I679 VanDerWaalsContact O-CG2 3.29Å; T484-I679 WeakPolarHBondContact O-CG2 3.06Å; V485-I679 HydrophobicContact CG2-CG1 4Å; T543-I679 HydrophobicContact CG2-CD1 3.79Å; A546-I679 HydrophobicContact CB-CD1 4.26Å; A546-I679 HydrophobicContact CB-CG2 3.62Å; L547-I679 HydrophobicContact CD2-CD1 4.19Å; L547-I679 HydrophobicContact CG-CD1 4.48Å; R644-I679 HydrophobicContact CB-CB 4.46Å; R644-I679 WeakPolarHBondContact CB-O 3.35Å; R644-I679 PolarHBondContact N-O 2.91Å; R644-I679 PolarHBondContact O-N 2.89Å; I646-I679 HydrophobicContact CB-CD1 4.31Å; I646-I679 HydrophobicContact CG1-CD1 3.76Å; V677-I679 HydrophobicContact CG2-CD1 4.27Å; V677-I679 HydrophobicContact CG2-CG1 4.13Å
680	E	88.1	Confident	92.4	Very high	20 Å²	20	26.2 Å²	26.2	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.9	167.9	64.1	172.4	-171.2	0	0	112.9	M483 T484 V486 L643 K718	M483-E680 CarbonylContact C-O 3.55Å; M483-E680 WeakPolarHBondContact CA-O 3.46Å; T484-E680 PolarHBondContact N-O 2.84Å; T484-E680 PolarHBondContact O-N 3.45Å; T484-E680 PolarHBondContact OG1-O 2.81Å; V486-E680 HydrophobicContact CB-CG 4.24Å; V486-E680 HydrophobicContact CG2-CG 3.61Å; L643-E680 HydrophobicContact CD2-CB 3.65Å; L643-E680 HydrophobicContact CD2-CG 3.7Å; L643-E680 WeakPolarHBondContact CD2-OE2 3.38Å; E680-K718 IonicContact OE1-NZ 3.24Å; E680-K718 PolarHBondContact OE1-NZ 2.86Å; E680-K718 IonicContact OE2-NZ 3.74Å; E680-K718 PolarHBondContact OE2-NZ 3.39Å
681	D	84.8	Confident	92.5	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.07	12%	0.122	C	C	.	.			trans	-94.8	105.6	164	-178.6	15.8	0	0	0	107.2	T479 T480 N481 R482 M483	T479-D681 WeakPolarHBondContact CB-OD2 2.99Å; T479-D681 VanDerWaalsContact CG2-O 3.29Å; T479-D681 WeakPolarHBondContact CG2-O 3.24Å; T479-D681 VanDerWaalsContact OG1-CG 3.25Å; T479-D681 PolarHBondContact OG1-OD2 2.78Å; T480-D681 PolarHBondContact N-OD1 3.19Å; T480-D681 PolarHBondContact OG1-OD1 3.45Å; N481-D681 WeakPolarHBondContact CA-OD1 3.12Å; N481-D681 VanDerWaalsContact CA-OD2 3.3Å; N481-D681 WeakPolarHBondContact CA-OD2 3.4Å; N481-D681 PolarHBondContact N-OD1 3.18Å; N481-D681 PolarHBondContact N-OD2 3.12Å; R482-D681 PolarHBondContact N-OD1 3.45Å; M483-D681 HydrophobicContact SD-CB 3.86Å
682	P	86.9	Confident	92.5	Very high	31 Å²	31	28.3 Å²	28.3	20%	0.201	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-72.5	149.8	-167.4	28.7	-33.9	0	0	0	111.9	T479 T480 R482 T484	T479-P682 CarbonylContact C-O 3.59Å; T479-P682 WeakPolarHBondContact CA-O 3.26Å; T479-P682 WeakPolarHBondContact CB-O 3.23Å; T480-P682 HydrophobicContact CG2-CG 4.29Å; T480-P682 PolarHBondContact N-O 3.12Å; T480-P682 WeakPolarHBondContact OG1-CD 3.41Å; T480-P682 WeakPolarHBondContact OG1-CG 3.36Å; R482-P682 VanDerWaalsContact O-CD 3.23Å; R482-P682 WeakPolarHBondContact O-CD 3.33Å; T484-P682 HydrophobicContact CG2-CG 4.5Å
683	V	89.9	Confident	92.4	Very high	26 Å²	26	30.2 Å²	30.2	16%	0.158	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-64.9	138.7	171.9	177.9	0	0	0	0	109.6	V687 P688 I715 K718 C719	V683-V687 HydrophobicContact CG1-CB 4.03Å; V683-V687 HydrophobicContact CG1-CG1 4Å; V683-P688 HydrophobicContact CG1-CG 4.29Å; V683-I715 HydrophobicContact CG2-CD1 4.2Å; V683-I715 HydrophobicContact CG2-CG2 3.81Å; V683-K718 HydrophobicContact CG2-CB 4.02Å; V683-C719 VanDerWaalsContact CG1-SG 3.57Å
684	R	87.6	Confident	92.4	Very high	33 Å²	33	30.3 Å²	30.3	13%	0.125	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-66.6	131.9	175.9	-59.3	171.6	175.8	-109.2	6.7	110	G476 T477 L478 T479 T480 E686 V687 P688 D830	G476-R684 PolarHBondContact O-NH2 3.03Å; T477-R684 WeakPolarHBondContact O-CD 3.47Å; T477-R684 PolarHBondContact O-NE 3.38Å; L478-R684 PolarHBondContact O-N 3.45Å; L478-R684 VanDerWaalsContact O-N 3.12Å; T479-R684 PolarHBondContact O-NE 2.88Å; T479-R684 VanDerWaalsContact O-NE 3.09Å; T480-R684 HydrophobicContact CG2-CG 4.01Å; R684-E686 PolarHBondContact O-N 3.19Å; R684-V687 HydrophobicContact CB-CB 4.44Å; R684-V687 HydrophobicContact CB-CG2 3.8Å; R684-V687 HydrophobicContact CG-CG2 4.46Å; R684-V687 WeakPolarHBondContact O-CB 3.3Å; R684-V687 PolarHBondContact O-N 3.12Å; R684-P688 WeakPolarHBondContact O-CD 3.4Å; R684-D830 PolarHBondContact NH1-O 2.91Å; R684-D830 VanDerWaalsContact NH2-CB 3.34Å; R684-D830 PolarHBondContact NH2-O 3.23Å
685	P	89.4	Confident	92.3	Very high	123 Å²	123	33.5 Å²	33.5	80%	0.799	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.6	-173.5	-30.1	36	0	0	0	116
686	E	90.2	Very high	92.2	Very high	61 Å²	61	41.1 Å²	41.1	29%	0.285	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23	-178.3	64.8	-82.9	-162.5	0	0	114.4	R684 E689 A690 N831 T833	R684-E686 PolarHBondContact O-N 3.19Å; E686-E689 PolarHBondContact O-N 3.26Å; E686-E689 VanDerWaalsContact O-N 3.16Å; E686-A690 PolarHBondContact O-N 3.08Å; E686-N831 WeakPolarHBondContact CG-OD1 3.37Å; E686-N831 PolarHBondContact OE1-ND2 2.96Å; E686-N831 PolarHBondContact OE1-OD1 3.01Å; E686-T833 WeakPolarHBondContact CG-OG1 3.45Å
687	V	94.1	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-43.9	-175	160.1	0	0	0	0	113.3	L478 V683 R684 E689 A690 I691 C719 F832	L478-V687 HydrophobicContact CB-CG1 4.47Å; L478-V687 HydrophobicContact CD2-CG1 3.87Å; V683-V687 HydrophobicContact CG1-CB 4.03Å; V683-V687 HydrophobicContact CG1-CG1 4Å; R684-V687 HydrophobicContact CB-CB 4.44Å; R684-V687 HydrophobicContact CB-CG2 3.8Å; R684-V687 HydrophobicContact CG-CG2 4.46Å; R684-V687 WeakPolarHBondContact O-CB 3.3Å; R684-V687 PolarHBondContact O-N 3.12Å; V687-E689 VanDerWaalsContact C-N 3.29Å; V687-E689 PolarHBondContact O-N 3.42Å; V687-A690 PolarHBondContact O-N 3.19Å; V687-I691 HydrophobicContact CG1-CD1 3.51Å; V687-I691 HydrophobicContact CG1-CG1 4.28Å; V687-I691 WeakPolarHBondContact O-CB 3.48Å; V687-I691 WeakPolarHBondContact O-CG1 3.27Å; V687-I691 PolarHBondContact O-N 3.22Å; V687-C719 HydrophobicContact CG1-CB 4.3Å; V687-F832 HydrophobicContact CG2-CB 3.81Å
688	P	94.9	Very high	91.9	Very high	36 Å²	36	42.7 Å²	42.7	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-25.3	177.8	-23.4	34.8	0	0	0	114.6	V683 R684 R692	V683-P688 HydrophobicContact CG1-CG 4.29Å; R684-P688 WeakPolarHBondContact O-CD 3.4Å; P688-R692 WeakPolarHBondContact O-CB 3.28Å; P688-R692 PolarHBondContact O-NH2 3.25Å
689	E	94.9	Very high	92	Very high	99 Å²	99	42.7 Å²	42.7	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-79.8	-44.5	170.6	-170.1	-172.9	134.4	0	0	111	E686 V687 I691 R692 K693	E686-E689 PolarHBondContact O-N 3.26Å; E686-E689 VanDerWaalsContact O-N 3.16Å; V687-E689 VanDerWaalsContact C-N 3.29Å; V687-E689 PolarHBondContact O-N 3.42Å; E689-I691 VanDerWaalsContact C-N 3.33Å; E689-I691 PolarHBondContact O-N 3.2Å; E689-R692 WeakPolarHBondContact O-CB 3.5Å; E689-R692 PolarHBondContact O-N 3.12Å; E689-R692 VanDerWaalsContact O-N 3.1Å; E689-K693 PolarHBondContact O-N 3.05Å; E689-K693 WeakPolarHBondContact OE1-CE 3.23Å; E689-K693 IonicContact OE1-NZ 3.57Å; E689-K693 PolarHBondContact OE1-NZ 3.3Å
690	A	94.8	Very high	92.1	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-42.9	-180	0	0	0	0	0	112.1	E686 V687 K693 C694 F832 V836	E686-A690 PolarHBondContact O-N 3.08Å; V687-A690 PolarHBondContact O-N 3.19Å; A690-K693 PolarHBondContact O-N 3.35Å; A690-C694 PolarHBondContact O-N 2.98Å; A690-F832 HydrophobicContact CB-CD1 3.76Å; A690-F832 HydrophobicContact CB-CE1 4.37Å; A690-V836 HydrophobicContact CB-CG2 3.76Å
691	I	95.3	Very high	92.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-40.6	174.5	-70.9	170.3	0	0	0	111.4	L478 V687 E689 K693 C694 Q695 V701 C719 I721 F832	L478-I691 HydrophobicContact CD2-CD1 4.17Å; V687-I691 HydrophobicContact CG1-CD1 3.51Å; V687-I691 HydrophobicContact CG1-CG1 4.28Å; V687-I691 WeakPolarHBondContact O-CB 3.48Å; V687-I691 WeakPolarHBondContact O-CG1 3.27Å; V687-I691 PolarHBondContact O-N 3.22Å; E689-I691 VanDerWaalsContact C-N 3.33Å; E689-I691 PolarHBondContact O-N 3.2Å; I691-K693 VanDerWaalsContact C-N 3.31Å; I691-K693 PolarHBondContact O-N 2.9Å; I691-C694 WeakPolarHBondContact O-CB 3.2Å; I691-C694 PolarHBondContact O-N 3.05Å; I691-Q695 HydrophobicContact CG2-CG 4.42Å; I691-Q695 WeakPolarHBondContact O-CG 3.45Å; I691-Q695 PolarHBondContact O-N 3.48Å; I691-V701 HydrophobicContact CG1-CG1 4.45Å; I691-V701 HydrophobicContact CG1-CG2 4.41Å; I691-V701 HydrophobicContact CG2-CB 4.48Å; I691-V701 HydrophobicContact CG2-CG2 4.29Å; I691-C719 HydrophobicContact CD1-CB 3.74Å; I691-C719 WeakPolarHBondContact CD1-O 3.32Å; I691-I721 HydrophobicContact CD1-CD1 4.04Å; I691-I721 HydrophobicContact CD1-CG1 3.8Å; I691-I721 HydrophobicContact CG2-CG1 4.22Å; I691-F832 HydrophobicContact CG1-CD1 4.18Å; I691-F832 HydrophobicContact CG1-CE1 3.63Å; I691-F832 HydrophobicContact CG1-CZ 4.05Å
692	R	94.1	Very high	93	Very high	129 Å²	129	43.5 Å²	43.5	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-35.4	175.1	-164.9	-171.1	-55.7	119.2	4.4	112.1	P688 E689 R696	P688-R692 WeakPolarHBondContact O-CB 3.28Å; P688-R692 PolarHBondContact O-NH2 3.25Å; E689-R692 WeakPolarHBondContact O-CB 3.5Å; E689-R692 PolarHBondContact O-N 3.12Å; E689-R692 VanDerWaalsContact O-N 3.1Å; R692-R696 WeakPolarHBondContact O-CB 3.43Å; R692-R696 PolarHBondContact O-N 3.44Å; R692-R696 VanDerWaalsContact O-N 3.08Å
693	K	94.6	Very high	93.4	Very high	51 Å²	51	42 Å²	42	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-44.6	172	-73	-175.5	177.8	177.7	0	111.4	E689 A690 I691 R696 A697 V836 E906	E689-K693 PolarHBondContact O-N 3.05Å; E689-K693 WeakPolarHBondContact OE1-CE 3.23Å; E689-K693 IonicContact OE1-NZ 3.57Å; E689-K693 PolarHBondContact OE1-NZ 3.3Å; A690-K693 PolarHBondContact O-N 3.35Å; I691-K693 VanDerWaalsContact C-N 3.31Å; I691-K693 PolarHBondContact O-N 2.9Å; K693-R696 PolarHBondContact O-N 2.96Å; K693-A697 WeakPolarHBondContact O-CB 3.13Å; K693-A697 PolarHBondContact O-N 3.26Å; K693-V836 HydrophobicContact CB-CG1 4.08Å; K693-E906 IonicContact NZ-OE1 3.21Å; K693-E906 PolarHBondContact NZ-OE1 2.66Å
694	C	94.7	Very high	93.6	Very high	2 Å²	2	41 Å²	41	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-49.8	173	-75.3	0	0	0	0	112.7	A690 I691 R696 A697 G698 I699 V701	A690-C694 PolarHBondContact O-N 2.98Å; I691-C694 WeakPolarHBondContact O-CB 3.2Å; I691-C694 PolarHBondContact O-N 3.05Å; C694-R696 VanDerWaalsContact C-N 3.35Å; C694-R696 PolarHBondContact O-N 3.29Å; C694-A697 CarbonylContact O-C 3.38Å; C694-A697 WeakPolarHBondContact O-CA 3.28Å; C694-A697 WeakPolarHBondContact O-CB 2.89Å; C694-A697 PolarHBondContact O-N 3.49Å; C694-A697 VanDerWaalsContact O-N 3.11Å; C694-G698 PolarHBondContact O-N 3.23Å; C694-I699 CarbonylContact C-O 3.55Å; C694-I699 HydrophobicContact CB-CB 4.18Å; C694-I699 WeakPolarHBondContact O-CB 3.25Å; C694-I699 PolarHBondContact O-N 3.24Å; C694-V701 HydrophobicContact CB-CG2 3.89Å
695	Q	92.7	Very high	93.6	Very high	72 Å²	72	39.6 Å²	39.6	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-59	-44.5	178.7	-72.6	168.7	-9.1	0	0	111.7	I691 A697 G698 G720	I691-Q695 HydrophobicContact CG2-CG 4.42Å; I691-Q695 WeakPolarHBondContact O-CG 3.45Å; I691-Q695 PolarHBondContact O-N 3.48Å; Q695-A697 VanDerWaalsContact C-N 3.31Å; Q695-A697 PolarHBondContact O-N 2.96Å; Q695-G698 PolarHBondContact O-N 3.21Å; Q695-G698 VanDerWaalsContact O-N 3.08Å; Q695-G720 PolarHBondContact NE2-O 2.87Å
696	R	93.5	Very high	93.1	Very high	162 Å²	162	36.1 Å²	36.1	61%	0.611	19%	0.185	S	C	*	.	H	α-helix	trans	-62.1	-37.2	175	-173.5	-178.6	-64.9	172.8	-1.4	112.6	R692 K693 C694 G698	R692-R696 WeakPolarHBondContact O-CB 3.43Å; R692-R696 PolarHBondContact O-N 3.44Å; R692-R696 VanDerWaalsContact O-N 3.08Å; K693-R696 PolarHBondContact O-N 2.96Å; C694-R696 VanDerWaalsContact C-N 3.35Å; C694-R696 PolarHBondContact O-N 3.29Å; R696-G698 PolarHBondContact O-N 3.3Å
697	A	93	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	3.4	175.1	0	0	0	0	0	114.2	K693 C694 Q695 I699 R843 L909 R911 P913	K693-A697 WeakPolarHBondContact O-CB 3.13Å; K693-A697 PolarHBondContact O-N 3.26Å; C694-A697 CarbonylContact O-C 3.38Å; C694-A697 WeakPolarHBondContact O-CA 3.28Å; C694-A697 WeakPolarHBondContact O-CB 2.89Å; C694-A697 PolarHBondContact O-N 3.49Å; C694-A697 VanDerWaalsContact O-N 3.11Å; Q695-A697 VanDerWaalsContact C-N 3.31Å; Q695-A697 PolarHBondContact O-N 2.96Å; A697-I699 HydrophobicContact CB-CD1 4.42Å; A697-I699 HydrophobicContact CB-CG1 4.26Å; A697-R843 PolarHBondContact O-NH2 3.03Å; A697-L909 VanDerWaalsContact CA-O 3.25Å; A697-L909 WeakPolarHBondContact CA-O 3.24Å; A697-L909 HydrophobicContact CB-CB 4.28Å; A697-L909 HydrophobicContact CB-CD2 4.29Å; A697-L909 WeakPolarHBondContact CB-O 3.19Å; A697-L909 PolarHBondContact N-O 2.92Å; A697-R911 CarbonylContact C-O 3.58Å; A697-R911 VanDerWaalsContact O-O 3.13Å; A697-P913 WeakPolarHBondContact O-CD 3.48Å
698	G	92.3	Very high	91.8	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	14.6	-179.8	0	0	0	0	0	114.8	C694 Q695 R696	C694-G698 PolarHBondContact O-N 3.23Å; Q695-G698 PolarHBondContact O-N 3.21Å; Q695-G698 VanDerWaalsContact O-N 3.08Å; R696-G698 PolarHBondContact O-N 3.3Å
699	I	95.3	Very high	91.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.197	C	C	.	.			trans	-101.7	122.6	-173.8	-47.7	-173.4	0	0	0	110.3	A467 T468 I470 C694 A697 V701 V839	A467-I699 HydrophobicContact CB-CD1 4.47Å; A467-I699 WeakPolarHBondContact O-CG1 3.46Å; T468-I699 WeakPolarHBondContact O-CA 3.4Å; I470-I699 HydrophobicContact CD1-CG2 3.78Å; I470-I699 HydrophobicContact CG1-CG2 3.78Å; C694-I699 CarbonylContact C-O 3.55Å; C694-I699 HydrophobicContact CB-CB 4.18Å; C694-I699 WeakPolarHBondContact O-CB 3.25Å; C694-I699 PolarHBondContact O-N 3.24Å; A697-I699 HydrophobicContact CB-CD1 4.42Å; A697-I699 HydrophobicContact CB-CG1 4.26Å; I699-V701 PolarHBondContact O-N 3.03Å; I699-V839 HydrophobicContact CD1-CB 4.42Å; I699-V839 HydrophobicContact CD1-CG1 3.73Å; I699-V839 HydrophobicContact CD1-CG2 3.79Å
700	T	93.9	Very high	90.8	Very high	42 Å²	42	37 Å²	37	26%	0.258	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	104.3	179.5	-55.2	0	0	0	0	110.8	T468 A469 I470 R702	T468-T700 PolarHBondContact O-N 3.3Å; A469-T700 WeakPolarHBondContact CA-O 3.35Å; I470-T700 PolarHBondContact N-O 2.92Å; T700-R702 HydrophobicContact CG2-CG 4.38Å
701	V	96	Very high	90.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.2	171.1	-173.3	0	0	0	0	109.8	I470 I691 C694 I699 I721 F832	I470-V701 CarbonylContact O-C 3.58Å; I470-V701 WeakPolarHBondContact O-CA 3.33Å; I691-V701 HydrophobicContact CG1-CG1 4.45Å; I691-V701 HydrophobicContact CG1-CG2 4.41Å; I691-V701 HydrophobicContact CG2-CB 4.48Å; I691-V701 HydrophobicContact CG2-CG2 4.29Å; C694-V701 HydrophobicContact CB-CG2 3.89Å; I699-V701 PolarHBondContact O-N 3.03Å; V701-I721 HydrophobicContact CG1-CD1 4.08Å; V701-I721 HydrophobicContact CG1-CG1 4.24Å; V701-F832 HydrophobicContact CG1-CZ 4.12Å; V701-F832 HydrophobicContact CG2-CZ 4.07Å
702	R	95.8	Very high	89.8	Confident	6 Å²	6	38.4 Å²	38.4	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.3	175.5	-64.6	-179	170.6	81	-0.3	109	I470 S472 T700 W756 L759 R760	I470-R702 PolarHBondContact O-N 3.02Å; S472-R702 PolarHBondContact N-O 3.38Å; T700-R702 HydrophobicContact CG2-CG 4.38Å; R702-W756 PolarHBondContact NE-O 3.33Å; R702-W756 PolarHBondContact NH2-O 3.24Å; R702-L759 PolarHBondContact NE-O 2.88Å; R702-R760 WeakPolarHBondContact CA-O 3.43Å
703	M	95.3	Very high	89.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.4	172.1	-175.3	-172.4	-68.6	0	0	109.7	S472 K474 L478 T705 A712 I715 A716 I721 R760 V761 L762	S472-M703 WeakPolarHBondContact O-CA 3.16Å; K474-M703 HydrophobicContact CB-CE 4.27Å; K474-M703 HydrophobicContact CB-CG 4.08Å; K474-M703 HydrophobicContact CB-SD 3.9Å; K474-M703 HydrophobicContact CG-CE 4.06Å; K474-M703 HydrophobicContact CG-SD 4.06Å; L478-M703 HydrophobicContact CD1-CE 4.03Å; M703-T705 HydrophobicContact CG-CG2 4.15Å; M703-T705 HydrophobicContact SD-CG2 4.06Å; M703-A712 HydrophobicContact SD-CB 3.97Å; M703-I715 HydrophobicContact CE-CB 4Å; M703-I715 HydrophobicContact CE-CG2 3.69Å; M703-A716 HydrophobicContact CE-CB 3.94Å; M703-I721 HydrophobicContact CB-CD1 4.28Å; M703-I721 HydrophobicContact CE-CD1 4.26Å; M703-R760 PolarHBondContact N-O 2.95Å; M703-V761 HydrophobicContact CB-CG2 4.48Å; M703-V761 CarbonylContact O-C 3.59Å; M703-V761 WeakPolarHBondContact O-CA 3.29Å; M703-V761 HydrophobicContact SD-CG1 4.41Å; M703-L762 PolarHBondContact O-N 3.31Å
704	V	92.6	Very high	89.2	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.1	177.8	-173.6	0	0	0	0	108.4	C471 S472 D473 L762 K770 L773	C471-V704 HydrophobicContact CB-CG2 4.18Å; S472-V704 PolarHBondContact O-N 2.9Å; D473-V704 WeakPolarHBondContact CA-O 3.18Å; D473-V704 VanDerWaalsContact OD1-O 3.04Å; V704-L762 WeakPolarHBondContact CA-O 3.49Å; V704-L762 HydrophobicContact CG1-CB 4.31Å; V704-L762 HydrophobicContact CG1-CD2 4.24Å; V704-K770 HydrophobicContact CG1-CB 4.3Å; V704-K770 HydrophobicContact CG1-CD 3.91Å; V704-K770 HydrophobicContact CG1-CG 3.66Å; V704-K770 PolarHBondContact O-NZ 3.01Å; V704-L773 HydrophobicContact CG2-CD2 3.82Å
705	T	88.1	Confident	88.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.197	C	C	.	.			trans	-149.1	153.5	-167.9	-170	0	0	0	0	113.8	K474 M703 D707 A712 L762 A763 R764 S765	K474-T705 HydrophobicContact CB-CG2 4.27Å; M703-T705 HydrophobicContact CG-CG2 4.15Å; M703-T705 HydrophobicContact SD-CG2 4.06Å; T705-D707 VanDerWaalsContact C-N 3.26Å; T705-D707 HydrophobicContact CG2-CB 3.99Å; T705-D707 PolarHBondContact O-N 3.39Å; T705-A712 HydrophobicContact CG2-CB 3.9Å; T705-L762 PolarHBondContact N-O 3.44Å; T705-A763 CarbonylContact O-C 3.54Å; T705-A763 VanDerWaalsContact O-C 3.3Å; T705-A763 WeakPolarHBondContact O-CA 3.3Å; T705-R764 PolarHBondContact O-N 2.65Å; T705-S765 PolarHBondContact N-OG 2.94Å; T705-S765 PolarHBondContact O-N 2.91Å; T705-S765 PolarHBondContact O-OG 3.27Å
706	G	79.2	Confident	88.9	Confident	51 Å²	51	33.1 Å²	33.1	53%	0.526	18%	0.181	S	C	.	.	S	Bend	trans	-73	-10.2	173.7	0	0	0	0	0	115	R764	G706-R764 WeakPolarHBondContact O-CA 3.34Å
707	D	77.6	Confident	88.8	Confident	51 Å²	51	27.9 Å²	27.9	27%	0.273	17%	0.172	S	C	.	.	S	Bend	trans	-65.5	163.6	-179	-85.2	-8.1	0	0	0	113.8	K474 T705 A763 R764	K474-D707 VanDerWaalsContact CD-OD2 3.3Å; K474-D707 WeakPolarHBondContact CD-OD2 3.45Å; K474-D707 WeakPolarHBondContact CE-OD2 3.43Å; K474-D707 IonicContact NZ-OD2 2.91Å; K474-D707 PolarHBondContact NZ-OD2 3.1Å; T705-D707 VanDerWaalsContact C-N 3.26Å; T705-D707 HydrophobicContact CG2-CB 3.99Å; T705-D707 PolarHBondContact O-N 3.39Å; D707-A763 WeakPolarHBondContact O-CB 3.24Å; D707-R764 PolarHBondContact O-N 3.31Å
708	N	79.4	Confident	88.7	Confident	65 Å²	65	32.3 Å²	32.3	35%	0.348	19%	0.191	S	C	.	.			trans	-61.4	141.2	172.3	-176.4	-46.6	0	0	0	111.2	N710 T711 A712	N708-N710 PolarHBondContact O-N 3.35Å; N708-N710 VanDerWaalsContact O-N 3.13Å; N708-N710 PolarHBondContact OD1-N 3.18Å; N708-T711 PolarHBondContact O-N 3.43Å; N708-T711 VanDerWaalsContact O-N 3.16Å; N708-A712 WeakPolarHBondContact O-CB 3.43Å; N708-A712 PolarHBondContact O-N 3.15Å
709	I	86.1	Confident	88.7	Confident	28 Å²	28	30.8 Å²	30.8	14%	0.144	18%	0.176	C	C	.	.	H	α-helix	trans	-53.6	-32	179.6	-168.9	167.4	0	0	0	114.6	R713 C730 E732 A763	I709-R713 WeakPolarHBondContact O-CB 3.41Å; I709-R713 PolarHBondContact O-N 3.34Å; I709-C730 HydrophobicContact CD1-CB 4.13Å; I709-C730 HydrophobicContact CG1-CB 4.25Å; I709-E732 HydrophobicContact CB-CG 3.86Å; I709-E732 HydrophobicContact CD1-CG 4.12Å; I709-E732 HydrophobicContact CG2-CG 4.13Å; I709-E732 WeakPolarHBondContact CG2-OE1 3.41Å; I709-A763 VanDerWaalsContact CA-CB 3.48Å; I709-A763 HydrophobicContact CB-CB 3.83Å; I709-A763 HydrophobicContact CG1-CB 4.22Å
710	N	83.4	Confident	88.6	Confident	69 Å²	69	32 Å²	32	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-69.1	-50.6	177.5	-70.5	-7.1	0	0	0	111.2	N708 A712 R713 A714	N708-N710 PolarHBondContact O-N 3.35Å; N708-N710 VanDerWaalsContact O-N 3.13Å; N708-N710 PolarHBondContact OD1-N 3.18Å; N710-A712 PolarHBondContact O-N 3.01Å; N710-R713 PolarHBondContact O-N 3.35Å; N710-A714 WeakPolarHBondContact O-CB 3.21Å; N710-A714 PolarHBondContact O-N 2.76Å
711	T	81.3	Confident	88.6	Confident	35 Å²	35	30 Å²	30	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-47.2	174.3	-55.8	0	0	0	0	111.1	G642 N708 R713 A714 I715	G642-T711 WeakPolarHBondContact O-CG2 3.45Å; G642-T711 PolarHBondContact O-OG1 2.73Å; N708-T711 PolarHBondContact O-N 3.43Å; N708-T711 VanDerWaalsContact O-N 3.16Å; T711-R713 VanDerWaalsContact C-N 3.32Å; T711-R713 PolarHBondContact O-N 3.27Å; T711-A714 PolarHBondContact O-N 3.48Å; T711-I715 HydrophobicContact CG2-CG1 4.35Å; T711-I715 WeakPolarHBondContact O-CG1 3.09Å; T711-I715 PolarHBondContact O-N 2.89Å
712	A	87.3	Confident	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-38.9	178.9	0	0	0	0	0	112.2	M703 T705 N708 N710 A716 V761 A763	M703-A712 HydrophobicContact SD-CB 3.97Å; T705-A712 HydrophobicContact CG2-CB 3.9Å; N708-A712 WeakPolarHBondContact O-CB 3.43Å; N708-A712 PolarHBondContact O-N 3.15Å; N710-A712 PolarHBondContact O-N 3.01Å; A712-A716 WeakPolarHBondContact O-CB 3.4Å; A712-A716 PolarHBondContact O-N 3.17Å; A712-V761 HydrophobicContact CB-CG1 3.58Å; A712-A763 HydrophobicContact CB-CB 3.99Å
713	R	89	Confident	87.9	Confident	120 Å²	120	35.9 Å²	35.9	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-66.6	-44.9	174	-173	-173.2	-59.7	178.3	3.2	112.2	I709 N710 T711 A716 A717 I722	I709-R713 WeakPolarHBondContact O-CB 3.41Å; I709-R713 PolarHBondContact O-N 3.34Å; N710-R713 PolarHBondContact O-N 3.35Å; T711-R713 VanDerWaalsContact C-N 3.32Å; T711-R713 PolarHBondContact O-N 3.27Å; R713-A716 PolarHBondContact O-N 3.46Å; R713-A717 PolarHBondContact O-N 3.35Å; R713-I722 HydrophobicContact CG-CD1 3.75Å
714	A	87	Confident	87.1	Confident	19 Å²	19	42.6 Å²	42.6	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-46	178.9	0	0	0	0	0	111.7	D641 N710 T711 A717 K718	D641-A714 WeakPolarHBondContact O-CB 3.39Å; N710-A714 WeakPolarHBondContact O-CB 3.21Å; N710-A714 PolarHBondContact O-N 2.76Å; T711-A714 PolarHBondContact O-N 3.48Å; A714-A717 PolarHBondContact O-N 2.91Å; A714-K718 WeakPolarHBondContact O-CG 3.46Å; A714-K718 PolarHBondContact O-N 2.94Å
715	I	89.3	Confident	86.3	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-41.3	174.9	-59	-62.7	0	0	0	111	K474 T479 V683 M703 T711 A717 K718 C719	K474-I715 HydrophobicContact CD-CG1 4.39Å; K474-I715 HydrophobicContact CD-CG2 4.46Å; K474-I715 HydrophobicContact CG-CB 4.4Å; K474-I715 HydrophobicContact CG-CG2 3.84Å; T479-I715 HydrophobicContact CG2-CG2 4.19Å; V683-I715 HydrophobicContact CG2-CD1 4.2Å; V683-I715 HydrophobicContact CG2-CG2 3.81Å; M703-I715 HydrophobicContact CE-CB 4Å; M703-I715 HydrophobicContact CE-CG2 3.69Å; T711-I715 HydrophobicContact CG2-CG1 4.35Å; T711-I715 WeakPolarHBondContact O-CG1 3.09Å; T711-I715 PolarHBondContact O-N 2.89Å; I715-A717 VanDerWaalsContact C-N 3.28Å; I715-A717 PolarHBondContact O-N 3.27Å; I715-K718 HydrophobicContact CD1-CD 4.38Å; I715-K718 PolarHBondContact O-N 3.34Å; I715-C719 VanDerWaalsContact O-CB 3.32Å; I715-C719 WeakPolarHBondContact O-CB 3.38Å; I715-C719 PolarHBondContact O-N 2.89Å; I715-C719 PolarHBondContact O-SG 2.63Å
716	A	92.6	Very high	85.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-35.4	176.8	0	0	0	0	0	112.9	M703 A712 R713 G720 I721 I722 V761	M703-A716 HydrophobicContact CE-CB 3.94Å; A712-A716 WeakPolarHBondContact O-CB 3.4Å; A712-A716 PolarHBondContact O-N 3.17Å; R713-A716 PolarHBondContact O-N 3.46Å; A716-G720 PolarHBondContact O-N 3.08Å; A716-I721 HydrophobicContact CB-CB 4.16Å; A716-I721 PolarHBondContact O-N 3.38Å; A716-I722 HydrophobicContact CB-CD1 4.08Å; A716-I722 HydrophobicContact CB-CG1 4.05Å; A716-I722 PolarHBondContact O-N 3.36Å; A716-V761 HydrophobicContact CB-CG2 3.51Å
717	A	91.1	Very high	86.1	Confident	52 Å²	52	53.2 Å²	53.2	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-70	-46.5	172.9	0	0	0	0	0	112	R713 A714 I715 C719 G720 I722	R713-A717 PolarHBondContact O-N 3.35Å; A714-A717 PolarHBondContact O-N 2.91Å; I715-A717 VanDerWaalsContact C-N 3.28Å; I715-A717 PolarHBondContact O-N 3.27Å; A717-C719 PolarHBondContact O-N 3.11Å; A717-G720 PolarHBondContact O-N 3.42Å; A717-I722 HydrophobicContact CB-CD1 4.47Å; A717-I722 HydrophobicContact CB-CG1 4.18Å
718	K	89.8	Confident	86.6	Confident	93 Å²	93	54 Å²	54	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-56.3	-37.3	173.4	-72.5	179.3	-179.4	-179.6	0	112.1	E680 V683 A714 I715	E680-K718 IonicContact OE1-NZ 3.24Å; E680-K718 PolarHBondContact OE1-NZ 2.86Å; E680-K718 IonicContact OE2-NZ 3.74Å; E680-K718 PolarHBondContact OE2-NZ 3.39Å; V683-K718 HydrophobicContact CG2-CB 4.02Å; A714-K718 WeakPolarHBondContact O-CG 3.46Å; A714-K718 PolarHBondContact O-N 2.94Å; I715-K718 HydrophobicContact CD1-CD 4.38Å; I715-K718 PolarHBondContact O-N 3.34Å
719	C	92.7	Very high	87.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.8	177	-70.6	0	0	0	0	114.9	V683 V687 I691 I715 A717 I721	V683-C719 VanDerWaalsContact CG1-SG 3.57Å; V687-C719 HydrophobicContact CG1-CB 4.3Å; I691-C719 HydrophobicContact CD1-CB 3.74Å; I691-C719 WeakPolarHBondContact CD1-O 3.32Å; I715-C719 VanDerWaalsContact O-CB 3.32Å; I715-C719 WeakPolarHBondContact O-CB 3.38Å; I715-C719 PolarHBondContact O-N 2.89Å; I715-C719 PolarHBondContact O-SG 2.63Å; A717-C719 PolarHBondContact O-N 3.11Å; C719-I721 VanDerWaalsContact C-N 3.31Å; C719-I721 HydrophobicContact CB-CD1 4.02Å; C719-I721 HydrophobicContact CB-CG1 3.94Å; C719-I721 PolarHBondContact O-N 3.44Å
720	G	92.8	Very high	87.5	Confident	25 Å²	25	52.7 Å²	52.7	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	20.8	-173.8	0	0	0	0	0	115.1	Q695 A716 A717 I722	Q695-G720 PolarHBondContact NE2-O 2.87Å; A716-G720 PolarHBondContact O-N 3.08Å; A717-G720 PolarHBondContact O-N 3.42Å; G720-I722 VanDerWaalsContact C-N 3.32Å
721	I	94.6	Very high	88	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-73.9	-28.7	173.8	-62.3	175.2	0	0	0	110.9	L478 I691 V701 M703 A716 C719 R760	L478-I721 HydrophobicContact CD1-CD1 3.95Å; I691-I721 HydrophobicContact CD1-CD1 4.04Å; I691-I721 HydrophobicContact CD1-CG1 3.8Å; I691-I721 HydrophobicContact CG2-CG1 4.22Å; V701-I721 HydrophobicContact CG1-CD1 4.08Å; V701-I721 HydrophobicContact CG1-CG1 4.24Å; M703-I721 HydrophobicContact CB-CD1 4.28Å; M703-I721 HydrophobicContact CE-CD1 4.26Å; A716-I721 HydrophobicContact CB-CB 4.16Å; A716-I721 PolarHBondContact O-N 3.38Å; C719-I721 VanDerWaalsContact C-N 3.31Å; C719-I721 HydrophobicContact CB-CD1 4.02Å; C719-I721 HydrophobicContact CB-CG1 3.94Å; C719-I721 PolarHBondContact O-N 3.44Å; I721-R760 HydrophobicContact CG2-CB 4.23Å
722	I	92.3	Very high	88.5	Confident	23 Å²	23	50.8 Å²	50.8	12%	0.118	29%	0.292	C	S	.	.	S	Bend	trans	-130.5	139	170.9	58.7	179.7	0	0	0	108.7	R713 A716 A717 G720 F728 R760	R713-I722 HydrophobicContact CG-CD1 3.75Å; A716-I722 HydrophobicContact CB-CD1 4.08Å; A716-I722 HydrophobicContact CB-CG1 4.05Å; A716-I722 PolarHBondContact O-N 3.36Å; A717-I722 HydrophobicContact CB-CD1 4.47Å; A717-I722 HydrophobicContact CB-CG1 4.18Å; G720-I722 VanDerWaalsContact C-N 3.32Å; I722-F728 HydrophobicContact CG2-CB 4.34Å; I722-R760 HydrophobicContact CG2-CB 3.67Å; I722-R760 HydrophobicContact CG2-CG 4.06Å
723	Q	84.6	Confident	88.6	Confident	110 Å²	110	50.8 Å²	50.8	51%	0.514	29%	0.293	S	S	.	.			trans	-106.3	149	173.9	-51.7	-174.2	37	0	0	110.7	G725 E726	Q723-G725 PolarHBondContact O-N 3.41Å; Q723-G725 VanDerWaalsContact O-N 3.15Å; Q723-E726 HydrophobicContact CB-CG 4.04Å; Q723-E726 WeakPolarHBondContact CB-OE2 3.44Å; Q723-E726 PolarHBondContact N-OE2 2.88Å; Q723-E726 PolarHBondContact O-N 3.07Å
724	P	78	Confident	88.6	Confident	141 Å²	141	53.8 Å²	53.8	92%	0.916	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	118.1	177.1	-23	34.3	0	0	0	111.8
725	G	75.4	Confident	88.9	Confident	87 Å²	87	54.9 Å²	54.9	90%	0.897	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	-3.7	179.8	0	0	0	0	0	115.7	Q723	Q723-G725 PolarHBondContact O-N 3.41Å; Q723-G725 VanDerWaalsContact O-N 3.15Å
726	E	81.4	Confident	89.1	Confident	79 Å²	79	54.7 Å²	54.7	37%	0.369	31%	0.31	S	S	.	.			trans	-81.3	136.7	174.3	-64.9	-179.4	132	0	0	112.5	Q723 F728	Q723-E726 HydrophobicContact CB-CG 4.04Å; Q723-E726 WeakPolarHBondContact CB-OE2 3.44Å; Q723-E726 PolarHBondContact N-OE2 2.88Å; Q723-E726 PolarHBondContact O-N 3.07Å; E726-F728 HydrophobicContact CB-CD2 3.69Å; E726-F728 HydrophobicContact CB-CE2 3.98Å; E726-F728 HydrophobicContact CB-CG 4.3Å; E726-F728 HydrophobicContact CG-CD2 4.35Å; E726-F728 HydrophobicContact CG-CE2 4.2Å; E726-F728 PolarHBondContact O-N 3.15Å; E726-F728 WeakPolarHBondContact OE2-CD2 3.49Å; E726-F728 VanDerWaalsContact OE2-CE2 3.23Å; E726-F728 WeakPolarHBondContact OE2-CE2 3.3Å
727	D	82.9	Confident	89	Confident	114 Å²	114	55.9 Å²	55.9	61%	0.61	32%	0.316	S	S	*	.			trans	-79.9	62.7	174.6	-179.1	34.7	0	0	0	111.8	K758	D727-K758 IonicContact OD2-NZ 2.99Å; D727-K758 PolarHBondContact OD2-NZ 3.41Å
728	F	88.7	Confident	89.1	Confident	68 Å²	68	61.9 Å²	61.9	30%	0.298	33%	0.328	S	S	.	.			trans	-107.1	142.3	176.3	-70.8	-36.1	0	0	0	112.5	I722 E726 R760	I722-F728 HydrophobicContact CG2-CB 4.34Å; E726-F728 HydrophobicContact CB-CD2 3.69Å; E726-F728 HydrophobicContact CB-CE2 3.98Å; E726-F728 HydrophobicContact CB-CG 4.3Å; E726-F728 HydrophobicContact CG-CD2 4.35Å; E726-F728 HydrophobicContact CG-CE2 4.2Å; E726-F728 PolarHBondContact O-N 3.15Å; E726-F728 WeakPolarHBondContact OE2-CD2 3.49Å; E726-F728 VanDerWaalsContact OE2-CE2 3.23Å; E726-F728 WeakPolarHBondContact OE2-CE2 3.3Å; F728-R760 HydrophobicContact CB-CB 4.32Å; F728-R760 HydrophobicContact CB-CG 3.63Å; F728-R760 HydrophobicContact CD1-CG 4.14Å; F728-R760 HydrophobicContact CD2-CG 3.8Å; F728-R760 HydrophobicContact CE2-CG 4.49Å; F728-R760 HydrophobicContact CG-CG 3.6Å
729	L	90.3	Very high	89.2	Confident	41 Å²	41	62.2 Å²	62.2	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.8	-175.3	-64.5	175.5	0	0	0	111.5	L731 V755 K758 L759 R760 V761	L729-L731 HydrophobicContact CB-CG 4.48Å; L729-V755 HydrophobicContact CD1-CG1 4.48Å; L729-K758 HydrophobicContact CB-CB 4.48Å; L729-K758 HydrophobicContact CD1-CB 3.92Å; L729-K758 HydrophobicContact CG-CB 3.9Å; L729-K758 PolarHBondContact N-O 2.91Å; L729-L759 HydrophobicContact CB-CD1 4.4Å; L729-R760 PolarHBondContact O-N 2.99Å; L729-V761 PolarHBondContact O-N 3.38Å
730	C	93.1	Very high	89.2	Confident	25 Å²	25	62.2 Å²	62.2	17%	0.169	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123	158.5	-55.5	0	0	0	0	108	I709 V761	I709-C730 HydrophobicContact CD1-CB 4.13Å; I709-C730 HydrophobicContact CG1-CB 4.25Å; C730-V761 WeakPolarHBondContact CA-O 3.4Å; C730-V761 HydrophobicContact CB-CB 4.04Å
731	L	94.4	Very high	89.1	Confident	9 Å²	9	65.7 Å²	65.7	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154	179.9	-59.8	-179.8	0	0	0	110.9	L729 E735 V755 L759 V761 L762 A763	L729-L731 HydrophobicContact CB-CG 4.48Å; L731-E735 HydrophobicContact CD2-CG 3.99Å; L731-V755 HydrophobicContact CD1-CG1 3.73Å; L731-L759 HydrophobicContact CB-CD1 4.16Å; L731-L759 HydrophobicContact CD1-CD1 4.04Å; L731-L759 HydrophobicContact CG-CD1 3.95Å; L731-V761 PolarHBondContact N-O 3.46Å; L731-L762 HydrophobicContact CB-CD1 4.39Å; L731-A763 PolarHBondContact O-N 3.39Å
732	E	92.1	Very high	88.9	Confident	54 Å²	54	66.8 Å²	66.8	25%	0.252	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	151.5	163.4	-67.2	-163.3	152.4	0	0	110.8	I709 K734 E735 F736 A763 R764	I709-E732 HydrophobicContact CB-CG 3.86Å; I709-E732 HydrophobicContact CD1-CG 4.12Å; I709-E732 HydrophobicContact CG2-CG 4.13Å; I709-E732 WeakPolarHBondContact CG2-OE1 3.41Å; E732-K734 PolarHBondContact O-N 3.39Å; E732-K734 VanDerWaalsContact O-N 3.13Å; E732-E735 WeakPolarHBondContact O-CA 3.3Å; E732-E735 WeakPolarHBondContact O-CB 3.48Å; E732-E735 PolarHBondContact O-N 2.86Å; E732-F736 PolarHBondContact O-N 2.85Å; E732-A763 CarbonylContact C-O 3.53Å; E732-A763 VanDerWaalsContact CA-O 3.23Å; E732-A763 WeakPolarHBondContact CA-O 3.35Å; E732-R764 VanDerWaalsContact CD-NE 3.32Å; E732-R764 HydrophobicContact CG-CG 4.47Å; E732-R764 WeakPolarHBondContact OE1-CD 3.31Å; E732-R764 IonicContact OE1-CZ 2.68Å; E732-R764 IonicContact OE1-NE 2.94Å; E732-R764 PolarHBondContact OE1-NE 3.23Å; E732-R764 IonicContact OE1-NH2 2.64Å; E732-R764 IonicContact OE2-NE 2.74Å; E732-R764 PolarHBondContact OE2-NE 2.61Å
733	G	88.2	Confident	88.5	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-50	-39.1	-178.7	0	0	0	0	0	114.6	E735 F736 N737 A763 D769	G733-E735 PolarHBondContact O-N 3.06Å; G733-F736 PolarHBondContact O-N 3.37Å; G733-N737 WeakPolarHBondContact O-CB 3.31Å; G733-N737 PolarHBondContact O-N 3.09Å; G733-N737 PolarHBondContact O-ND2 3.07Å; G733-A763 PolarHBondContact N-O 3.33Å; G733-D769 WeakPolarHBondContact CA-OD2 3.38Å
734	K	89.4	Confident	88.3	Confident	182 Å²	182	78 Å²	78	79%	0.791	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-40.2	174.5	-174.7	176.2	-179.5	178	0	112.9	E732 R738	E732-K734 PolarHBondContact O-N 3.39Å; E732-K734 VanDerWaalsContact O-N 3.13Å; K734-R738 WeakPolarHBondContact O-CB 3.32Å; K734-R738 PolarHBondContact O-N 3.3Å
735	E	93.1	Very high	88.5	Confident	43 Å²	43	72.7 Å²	72.7	20%	0.201	36%	0.358	C	S	.	.	H	α-helix	trans	-76.2	-36.5	178.8	175.4	63.8	175.2	0	0	111.8	L731 E732 G733 R738 R739	L731-E735 HydrophobicContact CD2-CG 3.99Å; E732-E735 WeakPolarHBondContact O-CA 3.3Å; E732-E735 WeakPolarHBondContact O-CB 3.48Å; E732-E735 PolarHBondContact O-N 2.86Å; G733-E735 PolarHBondContact O-N 3.06Å; E735-R738 VanDerWaalsContact CD-NH2 3.29Å; E735-R738 PolarHBondContact O-N 3.35Å; E735-R738 IonicContact OE1-NH2 3.67Å; E735-R738 PolarHBondContact OE1-NH2 2.69Å; E735-R738 IonicContact OE2-CZ 3.64Å; E735-R738 IonicContact OE2-NE 2.73Å; E735-R738 PolarHBondContact OE2-NE 3.5Å; E735-R738 IonicContact OE2-NH2 3.45Å; E735-R738 PolarHBondContact OE2-NH2 2.94Å; E735-R739 WeakPolarHBondContact O-CG 3.26Å; E735-R739 PolarHBondContact O-N 3.26Å; E735-R739 IonicContact OE1-CZ 2.97Å; E735-R739 IonicContact OE1-NE 3.96Å; E735-R739 PolarHBondContact OE1-NE 3.14Å; E735-R739 IonicContact OE1-NH2 2.66Å; E735-R739 PolarHBondContact OE1-NH2 2.96Å
736	F	94.3	Very high	89	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-51.9	171	173.4	-115.3	0	0	0	110.9	E732 G733 R738 R739 I740 L752 V755 L759 L762 D769 T772 L773	E732-F736 PolarHBondContact O-N 2.85Å; G733-F736 PolarHBondContact O-N 3.37Å; F736-R738 VanDerWaalsContact C-N 3.33Å; F736-R738 PolarHBondContact O-N 2.64Å; F736-R739 PolarHBondContact O-N 2.71Å; F736-R739 VanDerWaalsContact O-N 3.1Å; F736-I740 HydrophobicContact CD1-CD1 4.17Å; F736-I740 HydrophobicContact CD2-CG2 4Å; F736-I740 HydrophobicContact CE1-CD1 3.73Å; F736-I740 HydrophobicContact CE2-CD1 4.28Å; F736-I740 HydrophobicContact CE2-CG2 3.72Å; F736-I740 HydrophobicContact CZ-CD1 3.79Å; F736-I740 HydrophobicContact CZ-CG2 4.23Å; F736-I740 WeakPolarHBondContact O-CG1 3.2Å; F736-I740 PolarHBondContact O-N 3.47Å; F736-L752 HydrophobicContact CE2-CD1 4.47Å; F736-L752 HydrophobicContact CZ-CD1 4.12Å; F736-V755 HydrophobicContact CD2-CG1 4.46Å; F736-L759 HydrophobicContact CD2-CD2 4.38Å; F736-L759 HydrophobicContact CE2-CD2 4.34Å; F736-L762 HydrophobicContact CB-CD1 3.57Å; F736-L762 HydrophobicContact CD1-CD1 4.18Å; F736-L762 HydrophobicContact CD1-CD2 3.9Å; F736-L762 HydrophobicContact CE1-CD2 4.12Å; F736-L762 HydrophobicContact CG-CD1 3.87Å; F736-L762 HydrophobicContact CG-CD2 4.27Å; F736-D769 HydrophobicContact CD1-CB 4.5Å; F736-T772 HydrophobicContact CE1-CG2 4.34Å; F736-L773 HydrophobicContact CE1-CB 4.25Å; F736-L773 HydrophobicContact CE2-CD1 4.1Å; F736-L773 HydrophobicContact CZ-CB 3.9Å; F736-L773 HydrophobicContact CZ-CD1 3.97Å; F736-L773 HydrophobicContact CZ-CG 4.5Å
737	N	90.9	Very high	89.3	Confident	25 Å²	25	73.7 Å²	73.7	13%	0.134	34%	0.341	C	S	.	.	H	α-helix	trans	-55.1	-45.1	174	-86.6	-87.3	0	0	0	112.3	G733 R739 I740 R741 D769	G733-N737 WeakPolarHBondContact O-CB 3.31Å; G733-N737 PolarHBondContact O-N 3.09Å; G733-N737 PolarHBondContact O-ND2 3.07Å; N737-R739 VanDerWaalsContact C-N 3.27Å; N737-R739 PolarHBondContact O-N 2.77Å; N737-I740 PolarHBondContact O-N 2.85Å; N737-R741 VanDerWaalsContact O-CB 3.29Å; N737-R741 WeakPolarHBondContact O-CB 3.15Å; N737-R741 VanDerWaalsContact O-CG 3.23Å; N737-R741 WeakPolarHBondContact O-CG 3.25Å; N737-R741 PolarHBondContact O-N 3.42Å; N737-R741 VanDerWaalsContact O-N 3.11Å; N737-R741 VanDerWaalsContact OD1-CZ 3.31Å; N737-R741 PolarHBondContact OD1-NE 2.9Å; N737-R741 PolarHBondContact OD1-NH2 3.3Å; N737-D769 PolarHBondContact ND2-OD1 3.25Å
738	R	92.1	Very high	89.7	Confident	179 Å²	179	71.3 Å²	71.3	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-62.1	-32.1	178.5	-171.5	175.2	71.3	123.7	3	113.1	K734 E735 F736	K734-R738 WeakPolarHBondContact O-CB 3.32Å; K734-R738 PolarHBondContact O-N 3.3Å; E735-R738 VanDerWaalsContact CD-NH2 3.29Å; E735-R738 PolarHBondContact O-N 3.35Å; E735-R738 IonicContact OE1-NH2 3.67Å; E735-R738 PolarHBondContact OE1-NH2 2.69Å; E735-R738 IonicContact OE2-CZ 3.64Å; E735-R738 IonicContact OE2-NE 2.73Å; E735-R738 PolarHBondContact OE2-NE 3.5Å; E735-R738 IonicContact OE2-NH2 3.45Å; E735-R738 PolarHBondContact OE2-NH2 2.94Å; F736-R738 VanDerWaalsContact C-N 3.33Å; F736-R738 PolarHBondContact O-N 2.64Å
739	R	92.3	Very high	89.8	Confident	100 Å²	100	71 Å²	71	38%	0.377	33%	0.326	S	S	.	.	H	α-helix	trans	-80.8	-40.1	179.6	-72.1	179.9	-172	-148	1.1	113.3	E735 F736 N737 R751 V755	E735-R739 WeakPolarHBondContact O-CG 3.26Å; E735-R739 PolarHBondContact O-N 3.26Å; E735-R739 IonicContact OE1-CZ 2.97Å; E735-R739 IonicContact OE1-NE 3.96Å; E735-R739 PolarHBondContact OE1-NE 3.14Å; E735-R739 IonicContact OE1-NH2 2.66Å; E735-R739 PolarHBondContact OE1-NH2 2.96Å; F736-R739 PolarHBondContact O-N 2.71Å; F736-R739 VanDerWaalsContact O-N 3.1Å; N737-R739 VanDerWaalsContact C-N 3.27Å; N737-R739 PolarHBondContact O-N 2.77Å; R739-R751 WeakPolarHBondContact O-CB 3.43Å; R739-R751 VanDerWaalsContact O-CD 3.22Å; R739-R751 WeakPolarHBondContact O-CD 3.42Å; R739-V755 HydrophobicContact CB-CG2 4.26Å
740	I	91.9	Very high	89.7	Confident	0 Å²	0	75 Å²	75	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-83	-18.9	-176.2	71.3	-176.7	0	0	0	113.4	F736 N737 I747 E748 L752 T772	F736-I740 HydrophobicContact CD1-CD1 4.17Å; F736-I740 HydrophobicContact CD2-CG2 4Å; F736-I740 HydrophobicContact CE1-CD1 3.73Å; F736-I740 HydrophobicContact CE2-CD1 4.28Å; F736-I740 HydrophobicContact CE2-CG2 3.72Å; F736-I740 HydrophobicContact CZ-CD1 3.79Å; F736-I740 HydrophobicContact CZ-CG2 4.23Å; F736-I740 WeakPolarHBondContact O-CG1 3.2Å; F736-I740 PolarHBondContact O-N 3.47Å; N737-I740 PolarHBondContact O-N 2.85Å; I740-I747 HydrophobicContact CB-CG2 4.48Å; I740-I747 HydrophobicContact CD1-CG2 4.23Å; I740-I747 HydrophobicContact CG1-CG2 4.3Å; I740-E748 PolarHBondContact O-N 2.92Å; I740-L752 HydrophobicContact CB-CB 4.26Å; I740-L752 HydrophobicContact CD1-CD1 4.43Å; I740-L752 HydrophobicContact CG2-CB 3.85Å; I740-L752 HydrophobicContact CG2-CD1 4.22Å; I740-L752 HydrophobicContact CG2-CG 4.22Å; I740-T772 HydrophobicContact CD1-CG2 3.54Å
741	R	90.9	Very high	89.6	Confident	97 Å²	97	77.9 Å²	77.9	37%	0.366	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-89.3	155.2	-178.9	-67.5	173.4	-172.5	-109.7	9.2	113.1	N737 G745 E746 I747 R751	N737-R741 VanDerWaalsContact O-CB 3.29Å; N737-R741 WeakPolarHBondContact O-CB 3.15Å; N737-R741 VanDerWaalsContact O-CG 3.23Å; N737-R741 WeakPolarHBondContact O-CG 3.25Å; N737-R741 PolarHBondContact O-N 3.42Å; N737-R741 VanDerWaalsContact O-N 3.11Å; N737-R741 VanDerWaalsContact OD1-CZ 3.31Å; N737-R741 PolarHBondContact OD1-NE 2.9Å; N737-R741 PolarHBondContact OD1-NH2 3.3Å; R741-G745 WeakPolarHBondContact CD-O 3.45Å; R741-G745 PolarHBondContact NH1-O 3Å; R741-E746 CarbonylContact C-O 3.54Å; R741-E746 WeakPolarHBondContact CA-O 3.37Å; R741-I747 HydrophobicContact CG-CG1 4.24Å; R741-R751 PolarHBondContact O-NH1 2.59Å
742	N	89.6	Confident	89.5	Confident	25 Å²	25	77.5 Å²	77.5	13%	0.134	35%	0.349	C	S	.	.			trans	-95.6	-176.9	173.8	75.7	6.8	0	0	0	112.6	K744 G745 E746 E748	N742-K744 PolarHBondContact O-N 3.36Å; N742-K744 WeakPolarHBondContact OD1-CA 3.38Å; N742-K744 WeakPolarHBondContact OD1-CB 3.46Å; N742-K744 PolarHBondContact OD1-N 2.76Å; N742-G745 PolarHBondContact O-N 2.91Å; N742-G745 PolarHBondContact OD1-N 3.09Å; N742-G745 VanDerWaalsContact OD1-N 3.09Å; N742-E746 PolarHBondContact N-O 3.43Å; N742-E746 PolarHBondContact ND2-OE2 2.66Å; N742-E746 PolarHBondContact OD1-N 3.31Å; N742-E746 PolarHBondContact OD1-O 2.72Å; N742-E748 VanDerWaalsContact CB-CD 3.44Å; N742-E748 HydrophobicContact CB-CG 4.02Å; N742-E748 WeakPolarHBondContact CB-OE1 3.46Å; N742-E748 PolarHBondContact ND2-OE1 3.04Å
743	E	84.7	Confident	89.4	Confident	199 Å²	199	75.7 Å²	75.7	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.1	-178.2	-63.6	179	178.5	0	0	113.3
744	K	81.4	Confident	89.5	Confident	168 Å²	168	82.4 Å²	82.4	73%	0.73	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.5	172.2	-57	173.5	-179.7	175.3	0	113	N742 E746	N742-K744 PolarHBondContact O-N 3.36Å; N742-K744 WeakPolarHBondContact OD1-CA 3.38Å; N742-K744 WeakPolarHBondContact OD1-CB 3.46Å; N742-K744 PolarHBondContact OD1-N 2.76Å; K744-E746 VanDerWaalsContact C-N 3.34Å; K744-E746 HydrophobicContact CB-CG 4.1Å; K744-E746 WeakPolarHBondContact CD-OE2 3.44Å
745	G	82.1	Confident	89.6	Confident	31 Å²	31	74.2 Å²	74.2	32%	0.32	34%	0.335	S	S	.	.	S	Bend	trans	83.3	1.8	-176.8	0	0	0	0	0	115.3	R741 N742	R741-G745 WeakPolarHBondContact CD-O 3.45Å; R741-G745 PolarHBondContact NH1-O 3Å; N742-G745 PolarHBondContact O-N 2.91Å; N742-G745 PolarHBondContact OD1-N 3.09Å; N742-G745 VanDerWaalsContact OD1-N 3.09Å
746	E	86	Confident	89.6	Confident	107 Å²	107	73 Å²	73	50%	0.5	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-75.8	155.1	176.7	-54.3	163.3	142.7	0	0	110.5	R741 N742 K744	R741-E746 CarbonylContact C-O 3.54Å; R741-E746 WeakPolarHBondContact CA-O 3.37Å; N742-E746 PolarHBondContact N-O 3.43Å; N742-E746 PolarHBondContact ND2-OE2 2.66Å; N742-E746 PolarHBondContact OD1-N 3.31Å; N742-E746 PolarHBondContact OD1-O 2.72Å; K744-E746 VanDerWaalsContact C-N 3.34Å; K744-E746 HydrophobicContact CB-CG 4.1Å; K744-E746 WeakPolarHBondContact CD-OE2 3.44Å
747	I	87.9	Confident	89.4	Confident	80 Å²	80	75.2 Å²	75.2	41%	0.41	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-89.5	121.4	-178.3	-60.6	161.6	0	0	0	109.8	I740 R741 T772	I740-I747 HydrophobicContact CB-CG2 4.48Å; I740-I747 HydrophobicContact CD1-CG2 4.23Å; I740-I747 HydrophobicContact CG1-CG2 4.3Å; R741-I747 HydrophobicContact CG-CG1 4.24Å; I747-T772 HydrophobicContact CD1-CG2 3.84Å; I747-T772 HydrophobicContact CG2-CG2 4.45Å
748	E	90.3	Very high	89.5	Confident	64 Å²	64	78.5 Å²	78.5	30%	0.299	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-100.7	116	176.2	-79.4	176.3	-170.5	0	0	110.8	I740 N742 E750 R751 L752	I740-E748 PolarHBondContact O-N 2.92Å; N742-E748 VanDerWaalsContact CB-CD 3.44Å; N742-E748 HydrophobicContact CB-CG 4.02Å; N742-E748 WeakPolarHBondContact CB-OE1 3.46Å; N742-E748 PolarHBondContact ND2-OE1 3.04Å; E748-E750 VanDerWaalsContact C-N 3.27Å; E748-E750 PolarHBondContact O-N 3.26Å; E748-R751 HydrophobicContact CB-CB 4.4Å; E748-R751 HydrophobicContact CB-CG 3.93Å; E748-R751 WeakPolarHBondContact O-CB 3.2Å; E748-R751 PolarHBondContact O-N 2.8Å; E748-R751 IonicContact OE1-NH2 3.62Å; E748-R751 IonicContact OE2-CZ 2.81Å; E748-R751 IonicContact OE2-NE 3.69Å; E748-R751 PolarHBondContact OE2-NE 3.11Å; E748-R751 IonicContact OE2-NH2 2.68Å; E748-R751 PolarHBondContact OE2-NH2 3.03Å; E748-L752 PolarHBondContact O-N 3.04Å
749	Q	89.9	Confident	89.6	Confident	60 Å²	60	70.1 Å²	70.1	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-56.5	-39.7	-179	-176.1	62	33.9	0	0	112.2	R751 L752 D753 G776	Q749-R751 PolarHBondContact O-N 2.72Å; Q749-L752 PolarHBondContact O-N 3.42Å; Q749-L752 VanDerWaalsContact O-N 3.08Å; Q749-D753 PolarHBondContact NE2-OD1 3.38Å; Q749-D753 WeakPolarHBondContact O-CB 3.15Å; Q749-D753 PolarHBondContact O-N 3.34Å; Q749-G776 PolarHBondContact NE2-O 3.02Å
750	E	89.1	Confident	89.8	Confident	126 Å²	126	66.6 Å²	66.6	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-61.9	-27	178.2	-156.2	-147.7	147.3	0	0	113.1	E748 K754	E748-E750 VanDerWaalsContact C-N 3.27Å; E748-E750 PolarHBondContact O-N 3.26Å; E750-K754 VanDerWaalsContact CD-NZ 3.34Å; E750-K754 VanDerWaalsContact O-CD 3.31Å; E750-K754 WeakPolarHBondContact O-CD 3.45Å; E750-K754 WeakPolarHBondContact O-CE 3.45Å; E750-K754 WeakPolarHBondContact O-CG 3.5Å; E750-K754 VanDerWaalsContact OE1-CE 3.24Å; E750-K754 WeakPolarHBondContact OE1-CE 3.45Å; E750-K754 IonicContact OE1-NZ 3.17Å; E750-K754 PolarHBondContact OE1-NZ 3.43Å; E750-K754 IonicContact OE2-NZ 2.7Å
751	R	91.2	Very high	89.9	Confident	86 Å²	86	66.6 Å²	66.6	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-78.5	-40	173.3	-61.9	-171.5	-165.2	-146.4	-6.3	111.6	R739 R741 E748 Q749 D753 K754 V755	R739-R751 WeakPolarHBondContact O-CB 3.43Å; R739-R751 VanDerWaalsContact O-CD 3.22Å; R739-R751 WeakPolarHBondContact O-CD 3.42Å; R741-R751 PolarHBondContact O-NH1 2.59Å; E748-R751 HydrophobicContact CB-CB 4.4Å; E748-R751 HydrophobicContact CB-CG 3.93Å; E748-R751 WeakPolarHBondContact O-CB 3.2Å; E748-R751 PolarHBondContact O-N 2.8Å; E748-R751 IonicContact OE1-NH2 3.62Å; E748-R751 IonicContact OE2-CZ 2.81Å; E748-R751 IonicContact OE2-NE 3.69Å; E748-R751 PolarHBondContact OE2-NE 3.11Å; E748-R751 IonicContact OE2-NH2 2.68Å; E748-R751 PolarHBondContact OE2-NH2 3.03Å; Q749-R751 PolarHBondContact O-N 2.72Å; R751-D753 VanDerWaalsContact C-N 3.34Å; R751-K754 PolarHBondContact O-N 3.47Å; R751-V755 WeakPolarHBondContact O-CG2 3.12Å
752	L	91.5	Very high	90.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-40.4	176.4	-178.4	143.9	0	0	0	111.2	F736 I740 E748 Q749 K754 V755 W756 T772 G776	F736-L752 HydrophobicContact CE2-CD1 4.47Å; F736-L752 HydrophobicContact CZ-CD1 4.12Å; I740-L752 HydrophobicContact CB-CB 4.26Å; I740-L752 HydrophobicContact CD1-CD1 4.43Å; I740-L752 HydrophobicContact CG2-CB 3.85Å; I740-L752 HydrophobicContact CG2-CD1 4.22Å; I740-L752 HydrophobicContact CG2-CG 4.22Å; E748-L752 PolarHBondContact O-N 3.04Å; Q749-L752 PolarHBondContact O-N 3.42Å; Q749-L752 VanDerWaalsContact O-N 3.08Å; L752-K754 VanDerWaalsContact C-N 3.27Å; L752-K754 PolarHBondContact O-N 3.25Å; L752-V755 WeakPolarHBondContact O-CA 3.48Å; L752-V755 PolarHBondContact O-N 2.97Å; L752-W756 HydrophobicContact CD2-CB 4.45Å; L752-W756 HydrophobicContact CD2-CG 4.33Å; L752-W756 PolarHBondContact O-N 3.11Å; L752-T772 HydrophobicContact CD1-CG2 4.43Å; L752-G776 VanDerWaalsContact CD2-C 3.4Å; L752-G776 VanDerWaalsContact CD2-CA 3.48Å; L752-G776 VanDerWaalsContact CD2-O 3.26Å; L752-G776 WeakPolarHBondContact CD2-O 3.38Å
753	D	91.3	Very high	90.2	Very high	16 Å²	16	60.9 Å²	60.9	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-33.4	174.7	-91.2	23	0	0	0	113.4	Q749 R751 V755 W756 P757 S780 T782	Q749-D753 PolarHBondContact NE2-OD1 3.38Å; Q749-D753 WeakPolarHBondContact O-CB 3.15Å; Q749-D753 PolarHBondContact O-N 3.34Å; R751-D753 VanDerWaalsContact C-N 3.34Å; D753-V755 PolarHBondContact O-N 3.31Å; D753-W756 PolarHBondContact OD1-NE1 2.91Å; D753-P757 WeakPolarHBondContact O-CD 3.36Å; D753-P757 WeakPolarHBondContact O-CG 3.39Å; D753-S780 VanDerWaalsContact OD1-CB 3.24Å; D753-S780 WeakPolarHBondContact OD1-CB 3.49Å; D753-S780 PolarHBondContact OD1-OG 3.46Å; D753-S780 PolarHBondContact OD2-OG 3.11Å; D753-T782 VanDerWaalsContact CB-OG1 3.29Å; D753-T782 WeakPolarHBondContact CB-OG1 2.82Å; D753-T782 PolarHBondContact OD2-N 2.84Å; D753-T782 PolarHBondContact OD2-OG1 3.16Å
754	K	90.5	Very high	90.1	Very high	141 Å²	141	57.8 Å²	57.8	61%	0.613	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-8.8	173.9	-66.6	163.1	-168.4	171.6	0	113.6	E750 R751 L752	E750-K754 VanDerWaalsContact CD-NZ 3.34Å; E750-K754 VanDerWaalsContact O-CD 3.31Å; E750-K754 WeakPolarHBondContact O-CD 3.45Å; E750-K754 WeakPolarHBondContact O-CE 3.45Å; E750-K754 WeakPolarHBondContact O-CG 3.5Å; E750-K754 VanDerWaalsContact OE1-CE 3.24Å; E750-K754 WeakPolarHBondContact OE1-CE 3.45Å; E750-K754 IonicContact OE1-NZ 3.17Å; E750-K754 PolarHBondContact OE1-NZ 3.43Å; E750-K754 IonicContact OE2-NZ 2.7Å; R751-K754 PolarHBondContact O-N 3.47Å; L752-K754 VanDerWaalsContact C-N 3.27Å; L752-K754 PolarHBondContact O-N 3.25Å
755	V	91.6	Very high	90.3	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-50.2	-173.6	176.3	0	0	0	0	113	L729 L731 F736 R739 R751 L752 D753 K758 L759	L729-V755 HydrophobicContact CD1-CG1 4.48Å; L731-V755 HydrophobicContact CD1-CG1 3.73Å; F736-V755 HydrophobicContact CD2-CG1 4.46Å; R739-V755 HydrophobicContact CB-CG2 4.26Å; R751-V755 WeakPolarHBondContact O-CG2 3.12Å; L752-V755 WeakPolarHBondContact O-CA 3.48Å; L752-V755 PolarHBondContact O-N 2.97Å; D753-V755 PolarHBondContact O-N 3.31Å; V755-K758 PolarHBondContact O-N 3.45Å; V755-L759 WeakPolarHBondContact O-CB 3.37Å; V755-L759 PolarHBondContact O-N 3.35Å
756	W	91.4	Very high	90.2	Very high	17 Å²	17	50.6 Å²	50.6	6%	0.064	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.7	-171.5	81.8	-99	0	0	0	115.7	R702 L752 D753 K758 L759 L773 I777 S780 Q787	R702-W756 PolarHBondContact NE-O 3.33Å; R702-W756 PolarHBondContact NH2-O 3.24Å; L752-W756 HydrophobicContact CD2-CB 4.45Å; L752-W756 HydrophobicContact CD2-CG 4.33Å; L752-W756 PolarHBondContact O-N 3.11Å; D753-W756 PolarHBondContact OD1-NE1 2.91Å; W756-K758 PolarHBondContact O-N 3.19Å; W756-L759 PolarHBondContact O-N 2.94Å; W756-L773 HydrophobicContact CB-CD1 4.25Å; W756-I777 HydrophobicContact CB-CG1 3.96Å; W756-I777 HydrophobicContact CD2-CG1 3.86Å; W756-I777 HydrophobicContact CD2-CG2 4.39Å; W756-I777 HydrophobicContact CE3-CB 4.43Å; W756-I777 HydrophobicContact CE3-CD1 4.31Å; W756-I777 HydrophobicContact CE3-CG1 3.8Å; W756-I777 HydrophobicContact CE3-CG2 3.93Å; W756-I777 HydrophobicContact CG-CG1 3.91Å; W756-I777 HydrophobicContact CH2-CG2 4.42Å; W756-I777 HydrophobicContact CZ3-CG2 3.95Å; W756-S780 PolarHBondContact NE1-OG 2.9Å; W756-Q787 HydrophobicContact CH2-CG 3.73Å; W756-Q787 HydrophobicContact CZ2-CG 4.24Å; W756-Q787 HydrophobicContact CZ3-CG 4.38Å
757	P	91.5	Very high	89.9	Confident	46 Å²	46	47.9 Å²	47.9	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-39.6	178.9	-24.7	36.2	0	0	0	112.7	D753 R760 T782	D753-P757 WeakPolarHBondContact O-CD 3.36Å; D753-P757 WeakPolarHBondContact O-CG 3.39Å; P757-R760 PolarHBondContact O-NH1 3.46Å; P757-R760 PolarHBondContact O-NH2 3.2Å; P757-T782 HydrophobicContact CG-CG2 4.29Å
758	K	92.4	Very high	89.6	Confident	95 Å²	95	48.5 Å²	48.5	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.6	175.9	-71.7	-167.3	175.8	-172.8	0	113.9	D727 L729 V755 W756 R760	D727-K758 IonicContact OD2-NZ 2.99Å; D727-K758 PolarHBondContact OD2-NZ 3.41Å; L729-K758 HydrophobicContact CB-CB 4.48Å; L729-K758 HydrophobicContact CD1-CB 3.92Å; L729-K758 HydrophobicContact CG-CB 3.9Å; L729-K758 PolarHBondContact N-O 2.91Å; V755-K758 PolarHBondContact O-N 3.45Å; W756-K758 PolarHBondContact O-N 3.19Å; K758-R760 PolarHBondContact O-N 3.29Å
759	L	94.8	Very high	89.6	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.9	178.8	-170.5	62.3	0	0	0	111.2	R702 L729 L731 F736 V755 W756 V761 L762 L773	R702-L759 PolarHBondContact NE-O 2.88Å; L729-L759 HydrophobicContact CB-CD1 4.4Å; L731-L759 HydrophobicContact CB-CD1 4.16Å; L731-L759 HydrophobicContact CD1-CD1 4.04Å; L731-L759 HydrophobicContact CG-CD1 3.95Å; F736-L759 HydrophobicContact CD2-CD2 4.38Å; F736-L759 HydrophobicContact CE2-CD2 4.34Å; V755-L759 WeakPolarHBondContact O-CB 3.37Å; V755-L759 PolarHBondContact O-N 3.35Å; W756-L759 PolarHBondContact O-N 2.94Å; L759-V761 WeakPolarHBondContact CD1-O 3.38Å; L759-L762 HydrophobicContact CD2-CB 4.47Å; L759-L773 HydrophobicContact CD2-CD1 3.81Å; L759-L773 HydrophobicContact CD2-CD2 4Å
760	R	95.3	Very high	89.6	Confident	27 Å²	27	43.9 Å²	43.9	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-28.1	174.3	-68.8	-66.1	172.7	-82	-3	113.3	R702 M703 I721 I722 F728 L729 P757 K758	R702-R760 WeakPolarHBondContact CA-O 3.43Å; M703-R760 PolarHBondContact N-O 2.95Å; I721-R760 HydrophobicContact CG2-CB 4.23Å; I722-R760 HydrophobicContact CG2-CB 3.67Å; I722-R760 HydrophobicContact CG2-CG 4.06Å; F728-R760 HydrophobicContact CB-CB 4.32Å; F728-R760 HydrophobicContact CB-CG 3.63Å; F728-R760 HydrophobicContact CD1-CG 4.14Å; F728-R760 HydrophobicContact CD2-CG 3.8Å; F728-R760 HydrophobicContact CE2-CG 4.49Å; F728-R760 HydrophobicContact CG-CG 3.6Å; L729-R760 PolarHBondContact O-N 2.99Å; P757-R760 PolarHBondContact O-NH1 3.46Å; P757-R760 PolarHBondContact O-NH2 3.2Å; K758-R760 PolarHBondContact O-N 3.29Å
761	V	95.4	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.6	177.9	-175.5	0	0	0	0	109.5	M703 A712 A716 L729 C730 L731 L759 A763	M703-V761 HydrophobicContact CB-CG2 4.48Å; M703-V761 CarbonylContact O-C 3.59Å; M703-V761 WeakPolarHBondContact O-CA 3.29Å; M703-V761 HydrophobicContact SD-CG1 4.41Å; A712-V761 HydrophobicContact CB-CG1 3.58Å; A716-V761 HydrophobicContact CB-CG2 3.51Å; L729-V761 PolarHBondContact O-N 3.38Å; C730-V761 WeakPolarHBondContact CA-O 3.4Å; C730-V761 HydrophobicContact CB-CB 4.04Å; L731-V761 PolarHBondContact N-O 3.46Å; L759-V761 WeakPolarHBondContact CD1-O 3.38Å; V761-A763 HydrophobicContact CG1-CB 4.5Å
762	L	95.3	Very high	89.6	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	108.3	165.5	-175.9	59.6	0	0	0	108.3	M703 V704 T705 L731 F736 L759 D769 L773	M703-L762 PolarHBondContact O-N 3.31Å; V704-L762 WeakPolarHBondContact CA-O 3.49Å; V704-L762 HydrophobicContact CG1-CB 4.31Å; V704-L762 HydrophobicContact CG1-CD2 4.24Å; T705-L762 PolarHBondContact N-O 3.44Å; L731-L762 HydrophobicContact CB-CD1 4.39Å; F736-L762 HydrophobicContact CB-CD1 3.57Å; F736-L762 HydrophobicContact CD1-CD1 4.18Å; F736-L762 HydrophobicContact CD1-CD2 3.9Å; F736-L762 HydrophobicContact CE1-CD2 4.12Å; F736-L762 HydrophobicContact CG-CD1 3.87Å; F736-L762 HydrophobicContact CG-CD2 4.27Å; L759-L762 HydrophobicContact CD2-CB 4.47Å; L762-D769 HydrophobicContact CD2-CB 4.34Å; L762-L773 HydrophobicContact CB-CD2 4.48Å; L762-L773 HydrophobicContact CD2-CB 4.45Å; L762-L773 HydrophobicContact CD2-CD2 3.91Å
763	A	90	Very high	89.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	160.6	-176.7	0	0	0	0	0	111.3	T705 D707 I709 A712 L731 E732 G733 V761 S765	T705-A763 CarbonylContact O-C 3.54Å; T705-A763 VanDerWaalsContact O-C 3.3Å; T705-A763 WeakPolarHBondContact O-CA 3.3Å; D707-A763 WeakPolarHBondContact O-CB 3.24Å; I709-A763 VanDerWaalsContact CA-CB 3.48Å; I709-A763 HydrophobicContact CB-CB 3.83Å; I709-A763 HydrophobicContact CG1-CB 4.22Å; A712-A763 HydrophobicContact CB-CB 3.99Å; L731-A763 PolarHBondContact O-N 3.39Å; E732-A763 CarbonylContact C-O 3.53Å; E732-A763 VanDerWaalsContact CA-O 3.23Å; E732-A763 WeakPolarHBondContact CA-O 3.35Å; G733-A763 PolarHBondContact N-O 3.33Å; V761-A763 HydrophobicContact CG1-CB 4.5Å; A763-S765 PolarHBondContact O-N 3.31Å; A763-S765 VanDerWaalsContact O-N 3.1Å
764	R	83.3	Confident	89.9	Confident	135 Å²	135	37.2 Å²	37.2	51%	0.509	19%	0.185	S	C	.	.	S	Bend	trans	46	34.6	-170.5	-54.8	-169.9	-168.1	-121.3	7.6	113.4	T705 G706 D707 E732 S766	T705-R764 PolarHBondContact O-N 2.65Å; G706-R764 WeakPolarHBondContact O-CA 3.34Å; D707-R764 PolarHBondContact O-N 3.31Å; E732-R764 VanDerWaalsContact CD-NE 3.32Å; E732-R764 HydrophobicContact CG-CG 4.47Å; E732-R764 WeakPolarHBondContact OE1-CD 3.31Å; E732-R764 IonicContact OE1-CZ 2.68Å; E732-R764 IonicContact OE1-NE 2.94Å; E732-R764 PolarHBondContact OE1-NE 3.23Å; E732-R764 IonicContact OE1-NH2 2.64Å; E732-R764 IonicContact OE2-NE 2.74Å; E732-R764 PolarHBondContact OE2-NE 2.61Å; R764-S766 PolarHBondContact O-N 2.91Å
765	S	84.9	Confident	89.9	Confident	12 Å²	12	35 Å²	35	8%	0.084	18%	0.176	C	C	.	.			trans	-69.7	128.5	-177.4	65	0	0	0	0	110.9	T705 A763	T705-S765 PolarHBondContact N-OG 2.94Å; T705-S765 PolarHBondContact O-N 2.91Å; T705-S765 PolarHBondContact O-OG 3.27Å; A763-S765 PolarHBondContact O-N 3.31Å; A763-S765 VanDerWaalsContact O-N 3.1Å
766	S	80.5	Confident	90	Very high	36 Å²	36	34.7 Å²	34.7	25%	0.252	17%	0.174	S	C	.	.			trans	-72	164	163.9	78.7	0	0	0	0	111.4	R764 T768 D769 K770	R764-S766 PolarHBondContact O-N 2.91Å; S766-T768 PolarHBondContact O-N 2.89Å; S766-T768 PolarHBondContact OG-N 3.48Å; S766-T768 PolarHBondContact OG-OG1 3.17Å; S766-D769 PolarHBondContact N-OD2 2.9Å; S766-D769 WeakPolarHBondContact O-CB 3.24Å; S766-D769 PolarHBondContact O-N 3.11Å; S766-D769 VanDerWaalsContact O-N 3.14Å; S766-D769 PolarHBondContact OG-N 3.42Å; S766-D769 PolarHBondContact OG-OD1 3.01Å; S766-D769 PolarHBondContact OG-OD2 2.62Å; S766-K770 WeakPolarHBondContact O-CG 3.45Å; S766-K770 PolarHBondContact O-N 2.79Å; S766-K770 VanDerWaalsContact O-N 3.11Å
767	P	79.5	Confident	90.1	Very high	49 Å²	49	33.9 Å²	33.9	32%	0.318	17%	0.171	S	C	.	.	H	α-helix	trans	-53.3	-40.5	170.6	-27.9	36.7	0	0	0	113	K770 H771 N797	P767-K770 WeakPolarHBondContact O-CB 3.41Å; P767-K770 PolarHBondContact O-N 3.29Å; P767-H771 PolarHBondContact O-N 3.07Å; P767-H771 VanDerWaalsContact O-N 3.11Å; P767-N797 WeakPolarHBondContact CB-O 3.29Å; P767-N797 HydrophobicContact CG-CB 3.91Å; P767-N797 WeakPolarHBondContact CG-OD1 3.5Å
768	T	82.8	Confident	90	Very high	94 Å²	94	32 Å²	32	58%	0.577	16%	0.159	S	C	*	.	H	α-helix	trans	-72	-33.4	178.7	48.4	0	0	0	0	111.8	S766 K770 H771 T772	S766-T768 PolarHBondContact O-N 2.89Å; S766-T768 PolarHBondContact OG-N 3.48Å; S766-T768 PolarHBondContact OG-OG1 3.17Å; T768-K770 VanDerWaalsContact C-N 3.32Å; T768-K770 PolarHBondContact O-N 3.22Å; T768-H771 PolarHBondContact O-N 2.66Å; T768-T772 WeakPolarHBondContact O-CB 3.41Å; T768-T772 PolarHBondContact O-N 3.24Å; T768-T772 PolarHBondContact O-OG1 2.88Å
769	D	89.2	Confident	89.9	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.059	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-40.8	172	-57.3	-12.6	0	0	0	111.2	G733 F736 N737 L762 S766 T772 L773	G733-D769 WeakPolarHBondContact CA-OD2 3.38Å; F736-D769 HydrophobicContact CD1-CB 4.5Å; N737-D769 PolarHBondContact ND2-OD1 3.25Å; L762-D769 HydrophobicContact CD2-CB 4.34Å; S766-D769 PolarHBondContact N-OD2 2.9Å; S766-D769 WeakPolarHBondContact O-CB 3.24Å; S766-D769 PolarHBondContact O-N 3.11Å; S766-D769 VanDerWaalsContact O-N 3.14Å; S766-D769 PolarHBondContact OG-N 3.42Å; S766-D769 PolarHBondContact OG-OD1 3.01Å; S766-D769 PolarHBondContact OG-OD2 2.62Å; D769-T772 PolarHBondContact O-N 3.45Å; D769-L773 WeakPolarHBondContact O-CB 3.49Å; D769-L773 PolarHBondContact O-N 2.63Å
770	K	89.6	Confident	89.6	Confident	16 Å²	16	31 Å²	31	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-52.4	175.6	-57.2	-149.9	178.2	-176.3	0	110.7	D473 V704 S766 P767 T768 T772 L773 V774 D798 A801	D473-K770 IonicContact OD1-NZ 3.22Å; D473-K770 PolarHBondContact OD1-NZ 3.39Å; V704-K770 HydrophobicContact CG1-CB 4.3Å; V704-K770 HydrophobicContact CG1-CD 3.91Å; V704-K770 HydrophobicContact CG1-CG 3.66Å; V704-K770 PolarHBondContact O-NZ 3.01Å; S766-K770 WeakPolarHBondContact O-CG 3.45Å; S766-K770 PolarHBondContact O-N 2.79Å; S766-K770 VanDerWaalsContact O-N 3.11Å; P767-K770 WeakPolarHBondContact O-CB 3.41Å; P767-K770 PolarHBondContact O-N 3.29Å; T768-K770 VanDerWaalsContact C-N 3.32Å; T768-K770 PolarHBondContact O-N 3.22Å; K770-T772 PolarHBondContact O-N 2.96Å; K770-L773 PolarHBondContact O-N 3.21Å; K770-V774 VanDerWaalsContact O-CG2 3.31Å; K770-V774 WeakPolarHBondContact O-CG2 3.4Å; K770-V774 PolarHBondContact O-N 3.36Å; K770-D798 WeakPolarHBondContact CD-OD1 3Å; K770-D798 WeakPolarHBondContact CE-OD1 3.12Å; K770-D798 IonicContact NZ-OD1 3.73Å; K770-D798 PolarHBondContact NZ-OD1 3.27Å; K770-A801 HydrophobicContact CB-CB 3.83Å
771	H	89.4	Confident	88.9	Confident	61 Å²	61	35.6 Å²	35.6	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-59.2	-45.6	178.2	176.7	94.8	0	0	0	111.9	P767 T768 L773 V774 K775 P800	P767-H771 PolarHBondContact O-N 3.07Å; P767-H771 VanDerWaalsContact O-N 3.11Å; T768-H771 PolarHBondContact O-N 2.66Å; H771-L773 PolarHBondContact O-N 3.48Å; H771-V774 PolarHBondContact O-N 3.4Å; H771-K775 WeakPolarHBondContact O-CB 3.48Å; H771-K775 PolarHBondContact O-N 3.49Å; H771-P800 PolarHBondContact ND1-O 2.91Å
772	T	91.7	Very high	88.2	Confident	23 Å²	23	39.5 Å²	39.5	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-41.3	178.4	-66	0	0	0	0	112.2	F736 I740 I747 L752 T768 D769 K770 G776	F736-T772 HydrophobicContact CE1-CG2 4.34Å; I740-T772 HydrophobicContact CD1-CG2 3.54Å; I747-T772 HydrophobicContact CD1-CG2 3.84Å; I747-T772 HydrophobicContact CG2-CG2 4.45Å; L752-T772 HydrophobicContact CD1-CG2 4.43Å; T768-T772 WeakPolarHBondContact O-CB 3.41Å; T768-T772 PolarHBondContact O-N 3.24Å; T768-T772 PolarHBondContact O-OG1 2.88Å; D769-T772 PolarHBondContact O-N 3.45Å; K770-T772 PolarHBondContact O-N 2.96Å; T772-G776 PolarHBondContact O-N 2.82Å
773	L	94.1	Very high	87.1	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-44.4	175.3	179.3	61.7	0	0	0	111.7	V704 F736 W756 L759 L762 D769 K770 H771 G776 I777	V704-L773 HydrophobicContact CG2-CD2 3.82Å; F736-L773 HydrophobicContact CE1-CB 4.25Å; F736-L773 HydrophobicContact CE2-CD1 4.1Å; F736-L773 HydrophobicContact CZ-CB 3.9Å; F736-L773 HydrophobicContact CZ-CD1 3.97Å; F736-L773 HydrophobicContact CZ-CG 4.5Å; W756-L773 HydrophobicContact CB-CD1 4.25Å; L759-L773 HydrophobicContact CD2-CD1 3.81Å; L759-L773 HydrophobicContact CD2-CD2 4Å; L762-L773 HydrophobicContact CB-CD2 4.48Å; L762-L773 HydrophobicContact CD2-CB 4.45Å; L762-L773 HydrophobicContact CD2-CD2 3.91Å; D769-L773 WeakPolarHBondContact O-CB 3.49Å; D769-L773 PolarHBondContact O-N 2.63Å; K770-L773 PolarHBondContact O-N 3.21Å; H771-L773 PolarHBondContact O-N 3.48Å; L773-G776 PolarHBondContact O-N 2.85Å; L773-I777 HydrophobicContact CD1-CD1 3.8Å; L773-I777 HydrophobicContact CD1-CG1 4.15Å; L773-I777 HydrophobicContact CG-CD1 3.93Å; L773-I777 VanDerWaalsContact O-CG1 3.25Å; L773-I777 WeakPolarHBondContact O-CG1 3.49Å; L773-I777 PolarHBondContact O-N 3.48Å
774	V	93.9	Very high	86.2	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-51.9	179.8	170.7	0	0	0	0	110.9	C471 K770 H771 G776 I777 I778 V789 V791 A801 A805	C471-V774 HydrophobicContact CB-CG2 4.42Å; K770-V774 VanDerWaalsContact O-CG2 3.31Å; K770-V774 WeakPolarHBondContact O-CG2 3.4Å; K770-V774 PolarHBondContact O-N 3.36Å; H771-V774 PolarHBondContact O-N 3.4Å; V774-G776 VanDerWaalsContact C-N 3.33Å; V774-G776 PolarHBondContact O-N 3.38Å; V774-I777 PolarHBondContact O-N 2.89Å; V774-I778 HydrophobicContact CG1-CD1 3.92Å; V774-I778 WeakPolarHBondContact O-CG1 3.49Å; V774-I778 PolarHBondContact O-N 3.14Å; V774-I778 VanDerWaalsContact O-N 3.12Å; V774-V789 HydrophobicContact CG1-CG1 4.18Å; V774-V791 HydrophobicContact CB-CG2 4.34Å; V774-V791 HydrophobicContact CG1-CG2 3.88Å; V774-V791 HydrophobicContact CG2-CG2 3.44Å; V774-V791 VanDerWaalsContact CG2-CG2 3.44Å; V774-A801 HydrophobicContact CG2-CB 4.47Å; V774-A805 HydrophobicContact CG1-CB 4.49Å
775	K	92.4	Very high	85.8	Confident	95 Å²	95	47 Å²	47	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-54.8	-49.7	174	177.3	176.4	176.5	-176.7	0	110.9	H771 I777 I778 D779 K804	H771-K775 WeakPolarHBondContact O-CB 3.48Å; H771-K775 PolarHBondContact O-N 3.49Å; K775-I777 VanDerWaalsContact C-N 3.3Å; K775-I777 PolarHBondContact O-N 3.21Å; K775-I778 PolarHBondContact O-N 2.97Å; K775-I778 VanDerWaalsContact O-N 3.11Å; K775-D779 WeakPolarHBondContact CE-OD2 3.46Å; K775-D779 WeakPolarHBondContact CG-OD2 3.24Å; K775-D779 WeakPolarHBondContact O-CB 3.32Å; K775-D779 VanDerWaalsContact O-CG 3.23Å; K775-D779 PolarHBondContact O-N 3.47Å; K775-K804 HydrophobicContact CB-CG 4.25Å
776	G	92.1	Very high	85.9	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-29.7	-177.6	0	0	0	0	0	114.7	Q749 L752 T772 L773 V774 S780	Q749-G776 PolarHBondContact NE2-O 3.02Å; L752-G776 VanDerWaalsContact CD2-C 3.4Å; L752-G776 VanDerWaalsContact CD2-CA 3.48Å; L752-G776 VanDerWaalsContact CD2-O 3.26Å; L752-G776 WeakPolarHBondContact CD2-O 3.38Å; T772-G776 PolarHBondContact O-N 2.82Å; L773-G776 PolarHBondContact O-N 2.85Å; V774-G776 VanDerWaalsContact C-N 3.33Å; V774-G776 PolarHBondContact O-N 3.38Å; G776-S780 WeakPolarHBondContact O-CB 3.3Å; G776-S780 PolarHBondContact O-N 3.48Å
777	I	93.9	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-76	-37.5	173.5	-64.1	165.2	0	0	0	110.8	W756 L773 V774 K775 S780 Q787 V789	W756-I777 HydrophobicContact CB-CG1 3.96Å; W756-I777 HydrophobicContact CD2-CG1 3.86Å; W756-I777 HydrophobicContact CD2-CG2 4.39Å; W756-I777 HydrophobicContact CE3-CB 4.43Å; W756-I777 HydrophobicContact CE3-CD1 4.31Å; W756-I777 HydrophobicContact CE3-CG1 3.8Å; W756-I777 HydrophobicContact CE3-CG2 3.93Å; W756-I777 HydrophobicContact CG-CG1 3.91Å; W756-I777 HydrophobicContact CH2-CG2 4.42Å; W756-I777 HydrophobicContact CZ3-CG2 3.95Å; L773-I777 HydrophobicContact CD1-CD1 3.8Å; L773-I777 HydrophobicContact CD1-CG1 4.15Å; L773-I777 HydrophobicContact CG-CD1 3.93Å; L773-I777 VanDerWaalsContact O-CG1 3.25Å; L773-I777 WeakPolarHBondContact O-CG1 3.49Å; L773-I777 PolarHBondContact O-N 3.48Å; V774-I777 PolarHBondContact O-N 2.89Å; K775-I777 VanDerWaalsContact C-N 3.3Å; K775-I777 PolarHBondContact O-N 3.21Å; I777-S780 WeakPolarHBondContact O-CB 3.34Å; I777-S780 PolarHBondContact O-N 3.27Å; I777-Q787 HydrophobicContact CG2-CB 3.86Å; I777-Q787 HydrophobicContact CG2-CG 3.98Å; I777-V789 HydrophobicContact CB-CG2 3.92Å; I777-V789 HydrophobicContact CG2-CG2 3.44Å; I777-V789 VanDerWaalsContact CG2-CG2 3.44Å
778	I	90.7	Very high	86.9	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-43.7	177.2	-69.7	170.1	0	0	0	111.2	V774 K775 S780 V789 K804	V774-I778 HydrophobicContact CG1-CD1 3.92Å; V774-I778 WeakPolarHBondContact O-CG1 3.49Å; V774-I778 PolarHBondContact O-N 3.14Å; V774-I778 VanDerWaalsContact O-N 3.12Å; K775-I778 PolarHBondContact O-N 2.97Å; K775-I778 VanDerWaalsContact O-N 3.11Å; I778-S780 PolarHBondContact O-N 2.88Å; I778-V789 HydrophobicContact CD1-CB 4.26Å; I778-V789 HydrophobicContact CD1-CG2 4.46Å; I778-V789 HydrophobicContact CG1-CB 3.92Å; I778-V789 HydrophobicContact CG1-CG2 3.61Å; I778-K804 WeakPolarHBondContact CD1-O 3.17Å
779	D	88.9	Confident	87.4	Confident	68 Å²	68	43.8 Å²	43.8	36%	0.364	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.5	-176.9	-57.2	-0	0	0	0	112.3	K775 K804	K775-D779 WeakPolarHBondContact CE-OD2 3.46Å; K775-D779 WeakPolarHBondContact CG-OD2 3.24Å; K775-D779 WeakPolarHBondContact O-CB 3.32Å; K775-D779 VanDerWaalsContact O-CG 3.23Å; K775-D779 PolarHBondContact O-N 3.47Å; D779-K804 IonicContact OD1-NZ 3.32Å
780	S	88	Confident	87.8	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.042	23%	0.228	C	C	.	.			trans	-84	134.3	-176.4	-175.1	0	0	0	0	114	D753 W756 G776 I777 I778 T782	D753-S780 VanDerWaalsContact OD1-CB 3.24Å; D753-S780 WeakPolarHBondContact OD1-CB 3.49Å; D753-S780 PolarHBondContact OD1-OG 3.46Å; D753-S780 PolarHBondContact OD2-OG 3.11Å; W756-S780 PolarHBondContact NE1-OG 2.9Å; G776-S780 WeakPolarHBondContact O-CB 3.3Å; G776-S780 PolarHBondContact O-N 3.48Å; I777-S780 WeakPolarHBondContact O-CB 3.34Å; I777-S780 PolarHBondContact O-N 3.27Å; I778-S780 PolarHBondContact O-N 2.88Å; S780-T782 PolarHBondContact OG-N 3.26Å
781	T	80.8	Confident	88.1	Confident	124 Å²	124	42.8 Å²	42.8	76%	0.761	23%	0.225	S	C	*	.			trans	-104.8	5.1	177.2	56.8	0	0	0	0	113.8	G783	T781-G783 PolarHBondContact O-N 3.28Å; T781-G783 VanDerWaalsContact O-N 3.11Å
782	T	80.4	Confident	88.3	Confident	82 Å²	82	39.9 Å²	39.9	50%	0.503	21%	0.212	S	C	.	.	S	Bend	trans	-63.3	-15.4	-179.1	-73.1	0	0	0	0	114.4	D753 P757 S780	D753-T782 VanDerWaalsContact CB-OG1 3.29Å; D753-T782 WeakPolarHBondContact CB-OG1 2.82Å; D753-T782 PolarHBondContact OD2-N 2.84Å; D753-T782 PolarHBondContact OD2-OG1 3.16Å; P757-T782 HydrophobicContact CG-CG2 4.29Å; S780-T782 PolarHBondContact OG-N 3.26Å
783	G	73.4	Confident	88	Confident	36 Å²	36	38.8 Å²	38.8	37%	0.371	21%	0.206	S	C	.	.	S	Bend	trans	-113.7	158.7	173.5	0	0	0	0	0	112.6	T781 Q785	T781-G783 PolarHBondContact O-N 3.28Å; T781-G783 VanDerWaalsContact O-N 3.11Å; G783-Q785 PolarHBondContact O-N 3.32Å
784	E	69.9	Low	87.4	Confident	174 Å²	174	40 Å²	40	81%	0.813	21%	0.212	S	C	*	.	S	Bend	trans	-56.9	-11.7	178.5	-60.5	179.8	173.1	0	0	115.2	K1075	E784-K1075 PolarHBondContact O-NZ 2.8Å
785	Q	76.1	Confident	86.4	Confident	85 Å²	85	40.3 Å²	40.3	40%	0.397	22%	0.216	S	C	.	.	S	Bend	trans	-146.4	139.4	-171.6	-64.4	170.8	13.9	0	0	109.5	G783 Q787	G783-Q785 PolarHBondContact O-N 3.32Å; Q785-Q787 PolarHBondContact O-N 3.04Å; Q785-Q787 PolarHBondContact O-NE2 3.06Å
786	R	85.9	Confident	85.3	Confident	82 Å²	82	36.2 Å²	36.2	31%	0.309	20%	0.199	S	C	.	.			trans	-52.3	136.9	170.3	-175	-167.5	172.7	-88.7	21	109.9	D806	R786-D806 IonicContact CZ-OD1 3.04Å; R786-D806 VanDerWaalsContact CZ-OD1 3.22Å; R786-D806 IonicContact NH1-OD1 3.96Å; R786-D806 PolarHBondContact NH1-OD1 3.48Å; R786-D806 IonicContact NH1-OD2 2.82Å; R786-D806 PolarHBondContact NH1-OD2 3.44Å; R786-D806 IonicContact NH2-OD1 2.7Å; R786-D806 PolarHBondContact NH2-OD1 2.86Å
787	Q	89.4	Confident	84.5	Confident	32 Å²	32	40.1 Å²	40.1	15%	0.15	22%	0.219	C	C	.	.			trans	-71.6	157.1	176.4	-59.6	-54.8	-70.4	0	0	111.4	T468 W756 I777 Q785 V789	T468-Q787 PolarHBondContact OG1-OE1 2.68Å; W756-Q787 HydrophobicContact CH2-CG 3.73Å; W756-Q787 HydrophobicContact CZ2-CG 4.24Å; W756-Q787 HydrophobicContact CZ3-CG 4.38Å; I777-Q787 HydrophobicContact CG2-CB 3.86Å; I777-Q787 HydrophobicContact CG2-CG 3.98Å; Q785-Q787 PolarHBondContact O-N 3.04Å; Q785-Q787 PolarHBondContact O-NE2 3.06Å; Q787-V789 HydrophobicContact CB-CG2 4.29Å
788	V	91.8	Very high	84	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.221	C	C	.	.			trans	-120.5	110.6	171	179.9	0	0	0	0	107	T463 N466 T468 A469 D806	T463-V788 HydrophobicContact CG2-CG1 3.83Å; N466-V788 HydrophobicContact CB-CG2 4.27Å; N466-V788 WeakPolarHBondContact O-CB 3.48Å; T468-V788 PolarHBondContact N-O 2.97Å; T468-V788 PolarHBondContact OG1-N 2.86Å; T468-V788 VanDerWaalsContact OG1-N 3.12Å; T468-V788 PolarHBondContact OG1-O 2.97Å; A469-V788 PolarHBondContact N-O 3.41Å; V788-D806 WeakPolarHBondContact CA-OD2 3.13Å; V788-D806 HydrophobicContact CG1-CB 3.83Å
789	V	94.7	Very high	83.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.3	-168.5	-174.6	0	0	0	0	110.1	A469 V774 I777 I778 Q787 V791 D806 V807	A469-V789 HydrophobicContact CB-CG2 4.44Å; V774-V789 HydrophobicContact CG1-CG1 4.18Å; I777-V789 HydrophobicContact CB-CG2 3.92Å; I777-V789 HydrophobicContact CG2-CG2 3.44Å; I777-V789 VanDerWaalsContact CG2-CG2 3.44Å; I778-V789 HydrophobicContact CD1-CB 4.26Å; I778-V789 HydrophobicContact CD1-CG2 4.46Å; I778-V789 HydrophobicContact CG1-CB 3.92Å; I778-V789 HydrophobicContact CG1-CG2 3.61Å; Q787-V789 HydrophobicContact CB-CG2 4.29Å; V789-V791 HydrophobicContact CG1-CG2 4.29Å; V789-D806 PolarHBondContact N-OD2 2.93Å; V789-D806 PolarHBondContact O-N 2.75Å; V789-V807 PolarHBondContact O-N 2.97Å
790	A	96.3	Very high	83.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.4	165.4	0	0	0	0	0	110.5	M464 A469 I470 C471 V807 F809	M464-A790 HydrophobicContact CE-CB 3.86Å; M464-A790 HydrophobicContact SD-CB 3.77Å; A469-A790 PolarHBondContact O-N 3.37Å; I470-A790 CarbonylContact C-O 3.59Å; I470-A790 WeakPolarHBondContact CA-O 3.38Å; I470-A790 HydrophobicContact CG1-CB 4.18Å; C471-A790 PolarHBondContact N-O 3.33Å; A790-V807 CarbonylContact C-O 3.58Å; A790-V807 VanDerWaalsContact CA-O 3.23Å; A790-V807 WeakPolarHBondContact CA-O 3.39Å; A790-V807 HydrophobicContact CB-CB 4.36Å; A790-F809 HydrophobicContact CB-CD2 4.36Å; A790-F809 HydrophobicContact CB-CE2 4.05Å
791	V	95.8	Very high	83	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.9	178.7	177.2	0	0	0	0	109.7	C471 V774 V789 A801 L802 A805 V807 F809	C471-V791 HydrophobicContact CB-CG2 4.31Å; C471-V791 CarbonylContact O-C 3.55Å; C471-V791 VanDerWaalsContact O-CA 3.32Å; C471-V791 WeakPolarHBondContact O-CA 3.33Å; V774-V791 HydrophobicContact CB-CG2 4.34Å; V774-V791 HydrophobicContact CG1-CG2 3.88Å; V774-V791 HydrophobicContact CG2-CG2 3.44Å; V774-V791 VanDerWaalsContact CG2-CG2 3.44Å; V789-V791 HydrophobicContact CG1-CG2 4.29Å; V791-A801 HydrophobicContact CG1-CB 4.29Å; V791-L802 HydrophobicContact CB-CD2 4.26Å; V791-L802 HydrophobicContact CG1-CD2 3.98Å; V791-L802 HydrophobicContact CG1-CG 4.37Å; V791-A805 HydrophobicContact CB-CB 3.9Å; V791-A805 HydrophobicContact CG2-CB 3.54Å; V791-V807 PolarHBondContact N-O 3.5Å; V791-F809 WeakPolarHBondContact O-CB 3.27Å; V791-F809 PolarHBondContact O-N 3.41Å
792	T	93.6	Very high	83.4	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.4	169	89.5	0	0	0	0	111.1	I470 C471 S472 D473 T477 F809 I835	I470-T792 HydrophobicContact CG2-CG2 4.28Å; C471-T792 PolarHBondContact O-N 3.07Å; S472-T792 VanDerWaalsContact CA-OG1 3.32Å; S472-T792 WeakPolarHBondContact CA-OG1 3.34Å; S472-T792 PolarHBondContact OG-OG1 2.85Å; D473-T792 PolarHBondContact N-O 3.19Å; D473-T792 PolarHBondContact N-OG1 3.29Å; T477-T792 HydrophobicContact CG2-CG2 4.13Å; T477-T792 WeakPolarHBondContact CG2-OG1 3.44Å; T477-T792 PolarHBondContact OG1-OG1 3.15Å; T792-F809 WeakPolarHBondContact CA-O 3.12Å; T792-F809 HydrophobicContact CG2-CB 4.25Å; T792-I835 HydrophobicContact CG2-CD1 3.55Å
793	G	85.8	Confident	83.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	162	177.7	0	0	0	0	0	113.7	D798 F809 M811	G793-D798 WeakPolarHBondContact CA-OD2 3.38Å; G793-F809 PolarHBondContact N-O 3.46Å; G793-M811 PolarHBondContact O-N 2.94Å
794	D	81	Confident	84.4	Confident	26 Å²	26	38.3 Å²	38.3	14%	0.139	19%	0.189	C	C	.	.			trans	-132.6	-27	173.7	76	-14.9	0	0	0	113.1	N481 D798 M811 G815 T816	N481-D794 PolarHBondContact ND2-OD2 2.74Å; D794-D798 PolarHBondContact N-OD2 3.06Å; D794-M811 HydrophobicContact CB-CB 4.1Å; D794-M811 HydrophobicContact CB-CG 3.82Å; D794-G815 WeakPolarHBondContact O-CA 3.43Å; D794-T816 WeakPolarHBondContact O-CB 3.48Å; D794-T816 WeakPolarHBondContact O-CG2 3.49Å; D794-T816 PolarHBondContact O-N 2.67Å; D794-T816 PolarHBondContact O-OG1 3.06Å
795	G	74	Confident	85.5	Confident	11 Å²	11	30.9 Å²	30.9	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	-92.5	162.6	179.6	0	0	0	0	0	114.4	N797 D798	G795-N797 PolarHBondContact O-N 3.31Å; G795-D798 PolarHBondContact N-OD2 3.5Å; G795-D798 WeakPolarHBondContact O-CB 3.49Å; G795-D798 PolarHBondContact O-N 2.84Å
796	T	69.5	Low	86.3	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.055	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.6	-31.2	172.9	72.8	0	0	0	0	111.6	Y221 D798 G799 T816 V818	Y221-T796 HydrophobicContact CD2-CG2 4.36Å; Y221-T796 HydrophobicContact CE2-CG2 3.63Å; Y221-T796 VanDerWaalsContact CE2-OG1 3.29Å; Y221-T796 WeakPolarHBondContact CE2-OG1 3.47Å; Y221-T796 PolarHBondContact OH-N 2.75Å; Y221-T796 PolarHBondContact OH-OG1 2.76Å; T796-D798 PolarHBondContact O-N 2.92Å; T796-D798 VanDerWaalsContact O-N 3.12Å; T796-G799 PolarHBondContact O-N 3.19Å; T796-T816 HydrophobicContact CG2-CG2 4.21Å; T796-T816 PolarHBondContact N-OG1 3.47Å; T796-V818 HydrophobicContact CG2-CB 3.86Å; T796-V818 HydrophobicContact CG2-CG1 4.35Å; T796-V818 HydrophobicContact CG2-CG2 3.64Å
797	N	75.6	Confident	86.7	Confident	85 Å²	85	24.2 Å²	24.2	46%	0.455	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-52.8	-24.2	171.7	-71.3	-40	0	0	0	114.5	P767 G795	P767-N797 WeakPolarHBondContact CB-O 3.29Å; P767-N797 HydrophobicContact CG-CB 3.91Å; P767-N797 WeakPolarHBondContact CG-OD1 3.5Å; G795-N797 PolarHBondContact O-N 3.31Å
798	D	81.4	Confident	87	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.027	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-88.7	-17.3	180	-58.9	-46	0	0	0	112.5	K770 G793 D794 G795 T796 A801 L802	K770-D798 WeakPolarHBondContact CD-OD1 3Å; K770-D798 WeakPolarHBondContact CE-OD1 3.12Å; K770-D798 IonicContact NZ-OD1 3.73Å; K770-D798 PolarHBondContact NZ-OD1 3.27Å; G793-D798 WeakPolarHBondContact CA-OD2 3.38Å; D794-D798 PolarHBondContact N-OD2 3.06Å; G795-D798 PolarHBondContact N-OD2 3.5Å; G795-D798 WeakPolarHBondContact O-CB 3.49Å; G795-D798 PolarHBondContact O-N 2.84Å; T796-D798 PolarHBondContact O-N 2.92Å; T796-D798 VanDerWaalsContact O-N 3.12Å; D798-A801 CarbonylContact O-C 3.58Å; D798-A801 WeakPolarHBondContact O-CA 3.43Å; D798-A801 WeakPolarHBondContact O-CB 3.35Å; D798-A801 PolarHBondContact O-N 3.26Å; D798-L802 HydrophobicContact CB-CD1 3.88Å; D798-L802 HydrophobicContact CB-CG 4.18Å; D798-L802 WeakPolarHBondContact O-CG 3.45Å; D798-L802 PolarHBondContact O-N 3.35Å
799	G	80.2	Confident	87.1	Confident	8 Å²	8	22.2 Å²	22.2	8%	0.082	12%	0.121	C	C	.	.	H	α-helix	trans	-49.5	-51.3	-175.3	0	0	0	0	0	114.5	T796 A801 L802 K803	T796-G799 PolarHBondContact O-N 3.19Å; G799-A801 PolarHBondContact O-N 3.36Å; G799-L802 PolarHBondContact O-N 3Å; G799-K803 WeakPolarHBondContact O-CB 3.07Å; G799-K803 PolarHBondContact O-N 2.92Å
800	P	81.6	Confident	86.9	Confident	73 Å²	73	22.2 Å²	22.2	47%	0.474	12%	0.121	S	C	.	.	H	α-helix	trans	-65.1	-22.2	177.6	-24	35.3	0	0	0	114.7	H771 K804	H771-P800 PolarHBondContact ND1-O 2.91Å; P800-K804 WeakPolarHBondContact O-CB 3.49Å
801	A	86.8	Confident	86.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-88.2	-41.5	176.2	0	0	0	0	0	111.4	K770 V774 V791 D798 G799 K804 A805	K770-A801 HydrophobicContact CB-CB 3.83Å; V774-A801 HydrophobicContact CG2-CB 4.47Å; V791-A801 HydrophobicContact CG1-CB 4.29Å; D798-A801 CarbonylContact O-C 3.58Å; D798-A801 WeakPolarHBondContact O-CA 3.43Å; D798-A801 WeakPolarHBondContact O-CB 3.35Å; D798-A801 PolarHBondContact O-N 3.26Å; G799-A801 PolarHBondContact O-N 3.36Å; A801-K804 PolarHBondContact O-N 3.02Å; A801-A805 PolarHBondContact O-N 3.35Å; A801-A805 VanDerWaalsContact O-N 3.12Å
802	L	88.1	Confident	85.8	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-49.7	171.7	-71.9	167.6	0	0	0	110.6	V791 D798 G799 K804 A805 F809 A819 A822	V791-L802 HydrophobicContact CB-CD2 4.26Å; V791-L802 HydrophobicContact CG1-CD2 3.98Å; V791-L802 HydrophobicContact CG1-CG 4.37Å; D798-L802 HydrophobicContact CB-CD1 3.88Å; D798-L802 HydrophobicContact CB-CG 4.18Å; D798-L802 WeakPolarHBondContact O-CG 3.45Å; D798-L802 PolarHBondContact O-N 3.35Å; G799-L802 PolarHBondContact O-N 3Å; L802-K804 PolarHBondContact O-N 2.87Å; L802-A805 VanDerWaalsContact O-CB 3.27Å; L802-A805 WeakPolarHBondContact O-CB 3.23Å; L802-A805 PolarHBondContact O-N 3.24Å; L802-F809 WeakPolarHBondContact CD2-O 3.2Å; L802-A819 HydrophobicContact CD1-CB 3.99Å; L802-A822 HydrophobicContact CB-CB 4.1Å; L802-A822 HydrophobicContact CD1-CB 4.41Å
803	K	85.8	Confident	85	Confident	129 Å²	129	29 Å²	29	56%	0.561	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.2	-176.2	-160.3	52.6	172.6	177.8	0	114.9	G799 A822	G799-K803 WeakPolarHBondContact O-CB 3.07Å; G799-K803 PolarHBondContact O-N 2.92Å; K803-A822 HydrophobicContact CB-CB 4.48Å
804	K	89.4	Confident	84.2	Confident	70 Å²	70	31 Å²	31	30%	0.304	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-6	173.6	179.5	52.9	-173.2	164.6	0	112.8	K775 I778 D779 P800 A801 L802	K775-K804 HydrophobicContact CB-CG 4.25Å; I778-K804 WeakPolarHBondContact CD1-O 3.17Å; D779-K804 IonicContact OD1-NZ 3.32Å; P800-K804 WeakPolarHBondContact O-CB 3.49Å; A801-K804 PolarHBondContact O-N 3.02Å; L802-K804 PolarHBondContact O-N 2.87Å
805	A	93.1	Very high	84	Confident	18 Å²	18	30 Å²	30	15%	0.149	17%	0.173	C	C	.	.	S	Bend	trans	-66.4	164	172.6	0	0	0	0	0	111.4	V774 V791 A801 L802 V807	V774-A805 HydrophobicContact CG1-CB 4.49Å; V791-A805 HydrophobicContact CB-CB 3.9Å; V791-A805 HydrophobicContact CG2-CB 3.54Å; A801-A805 PolarHBondContact O-N 3.35Å; A801-A805 VanDerWaalsContact O-N 3.12Å; L802-A805 VanDerWaalsContact O-CB 3.27Å; L802-A805 WeakPolarHBondContact O-CB 3.23Å; L802-A805 PolarHBondContact O-N 3.24Å; A805-V807 VanDerWaalsContact C-N 3.29Å; A805-V807 WeakPolarHBondContact CB-O 3.44Å
806	D	92.8	Very high	84.1	Confident	27 Å²	27	30.5 Å²	30.5	14%	0.144	17%	0.174	C	C	.	.	S	Bend	trans	-76.8	-22.4	162.5	-62.1	-79.6	0	0	0	111.4	T463 R786 V788 V789	T463-D806 HydrophobicContact CG2-CB 3.84Å; T463-D806 WeakPolarHBondContact CG2-O 3.45Å; R786-D806 IonicContact CZ-OD1 3.04Å; R786-D806 VanDerWaalsContact CZ-OD1 3.22Å; R786-D806 IonicContact NH1-OD1 3.96Å; R786-D806 PolarHBondContact NH1-OD1 3.48Å; R786-D806 IonicContact NH1-OD2 2.82Å; R786-D806 PolarHBondContact NH1-OD2 3.44Å; R786-D806 IonicContact NH2-OD1 2.7Å; R786-D806 PolarHBondContact NH2-OD1 2.86Å; V788-D806 WeakPolarHBondContact CA-OD2 3.13Å; V788-D806 HydrophobicContact CG1-CB 3.83Å; V789-D806 PolarHBondContact N-OD2 2.93Å; V789-D806 PolarHBondContact O-N 2.75Å
807	V	94.5	Very high	84.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	116.5	169.2	-178.4	0	0	0	0	110.2	A460 T463 M464 V789 A790 V791 A805 F809 I825	A460-V807 HydrophobicContact CB-CG1 4.23Å; A460-V807 HydrophobicContact CB-CG2 4.23Å; T463-V807 HydrophobicContact CG2-CG2 3.89Å; M464-V807 HydrophobicContact CB-CG2 4.16Å; M464-V807 HydrophobicContact SD-CB 4.25Å; M464-V807 HydrophobicContact SD-CG1 4.26Å; M464-V807 HydrophobicContact SD-CG2 4.25Å; V789-V807 PolarHBondContact O-N 2.97Å; A790-V807 CarbonylContact C-O 3.58Å; A790-V807 VanDerWaalsContact CA-O 3.23Å; A790-V807 WeakPolarHBondContact CA-O 3.39Å; A790-V807 HydrophobicContact CB-CB 4.36Å; V791-V807 PolarHBondContact N-O 3.5Å; A805-V807 VanDerWaalsContact C-N 3.29Å; A805-V807 WeakPolarHBondContact CB-O 3.44Å; V807-F809 HydrophobicContact CB-CE2 4.29Å; V807-F809 HydrophobicContact CG1-CD2 3.97Å; V807-F809 HydrophobicContact CG1-CE2 3.46Å; V807-F809 VanDerWaalsContact CG1-CE2 3.46Å; V807-F809 HydrophobicContact CG1-CZ 3.99Å; V807-I825 HydrophobicContact CG1-CD1 4.04Å; V807-I825 HydrophobicContact CG1-CG1 4.35Å
808	G	94.8	Very high	84.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.9	170.2	0	0	0	0	0	112.9	S823 D824 I825	G808-S823 WeakPolarHBondContact O-CB 3.38Å; G808-D824 PolarHBondContact N-OD2 3.35Å; G808-D824 PolarHBondContact O-N 3.33Å; G808-I825 PolarHBondContact O-N 3.21Å
809	F	94.9	Very high	84.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.7	172.4	-73.1	-93.4	0	0	0	111.9	M464 A790 V791 T792 G793 L802 V807 I825 L827 I835 A838	M464-F809 HydrophobicContact CE-CE2 3.55Å; M464-F809 HydrophobicContact CE-CZ 3.68Å; M464-F809 HydrophobicContact CG-CE2 4.43Å; M464-F809 HydrophobicContact CG-CZ 4.04Å; M464-F809 HydrophobicContact SD-CE2 3.55Å; M464-F809 VanDerWaalsContact SD-CE2 3.55Å; M464-F809 HydrophobicContact SD-CZ 3.76Å; A790-F809 HydrophobicContact CB-CD2 4.36Å; A790-F809 HydrophobicContact CB-CE2 4.05Å; V791-F809 WeakPolarHBondContact O-CB 3.27Å; V791-F809 PolarHBondContact O-N 3.41Å; T792-F809 WeakPolarHBondContact CA-O 3.12Å; T792-F809 HydrophobicContact CG2-CB 4.25Å; G793-F809 PolarHBondContact N-O 3.46Å; L802-F809 WeakPolarHBondContact CD2-O 3.2Å; V807-F809 HydrophobicContact CB-CE2 4.29Å; V807-F809 HydrophobicContact CG1-CD2 3.97Å; V807-F809 HydrophobicContact CG1-CE2 3.46Å; V807-F809 VanDerWaalsContact CG1-CE2 3.46Å; V807-F809 HydrophobicContact CG1-CZ 3.99Å; F809-I825 VanDerWaalsContact CA-O 3.3Å; F809-I825 WeakPolarHBondContact CA-O 3.45Å; F809-I825 HydrophobicContact CD1-CB 3.88Å; F809-I825 HydrophobicContact CD1-CG2 4.03Å; F809-I825 HydrophobicContact CE1-CB 3.85Å; F809-I825 HydrophobicContact CE1-CD1 3.91Å; F809-I825 HydrophobicContact CE1-CG1 4.41Å; F809-I825 HydrophobicContact CE1-CG2 3.83Å; F809-I825 HydrophobicContact CZ-CD1 3.91Å; F809-L827 HydrophobicContact CD1-CD1 4.41Å; F809-L827 HydrophobicContact CD1-CD2 3.72Å; F809-L827 HydrophobicContact CD1-CG 4.09Å; F809-L827 HydrophobicContact CE1-CD2 4.07Å; F809-I835 HydrophobicContact CD1-CG1 4.11Å; F809-I835 HydrophobicContact CE1-CG1 4.17Å; F809-I835 HydrophobicContact CE1-CG2 4.28Å; F809-I835 HydrophobicContact CE2-CG2 4.13Å; F809-I835 HydrophobicContact CG-CG1 4.49Å; F809-I835 HydrophobicContact CZ-CG2 3.93Å; F809-A838 HydrophobicContact CE1-CB 4.11Å; F809-A838 HydrophobicContact CZ-CB 4.04Å
810	A	90.4	Very high	84.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.1	170	0	0	0	0	0	112.5	A819 K820 S823 I825 I826 L827	A810-A819 HydrophobicContact CB-CB 4.42Å; A810-K820 HydrophobicContact CB-CB 4.36Å; A810-K820 HydrophobicContact CB-CG 3.98Å; A810-S823 VanDerWaalsContact CB-OG 3.24Å; A810-S823 WeakPolarHBondContact CB-OG 3.44Å; A810-I825 PolarHBondContact N-O 2.63Å; A810-I826 HydrophobicContact CB-CG1 4.45Å; A810-I826 WeakPolarHBondContact O-CA 3.33Å; A810-L827 PolarHBondContact O-N 3.13Å
811	M	87.4	Confident	84.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.3	167.9	-59.5	-51.4	106.4	0	0	110	T477 G793 D794 A814 G815 K820 L827 D830	T477-M811 HydrophobicContact CG2-CE 3.96Å; T477-M811 HydrophobicContact CG2-SD 4.35Å; T477-M811 WeakPolarHBondContact OG1-CE 3.42Å; G793-M811 PolarHBondContact O-N 2.94Å; D794-M811 HydrophobicContact CB-CB 4.1Å; D794-M811 HydrophobicContact CB-CG 3.82Å; M811-A814 HydrophobicContact CB-CB 4.33Å; M811-G815 WeakPolarHBondContact O-CA 3.43Å; M811-G815 PolarHBondContact O-N 2.91Å; M811-K820 WeakPolarHBondContact O-CE 3.29Å; M811-L827 HydrophobicContact CE-CD1 3.77Å; M811-L827 HydrophobicContact CE-CG 4.48Å; M811-L827 HydrophobicContact SD-CD1 4.37Å; M811-D830 HydrophobicContact CB-CB 4.45Å; M811-D830 WeakPolarHBondContact CB-OD1 3.4Å; M811-D830 HydrophobicContact SD-CB 3.97Å
812	G	81.3	Confident	84.2	Confident	20 Å²	20	31.6 Å²	31.6	21%	0.206	17%	0.171	C	C	.	.	S	Bend	trans	-77.1	-37.7	-179.4	0	0	0	0	0	113.4	K820 L827 D830	G812-K820 WeakPolarHBondContact O-CE 3.48Å; G812-K820 PolarHBondContact O-NZ 3.37Å; G812-K820 VanDerWaalsContact O-NZ 3.15Å; G812-L827 WeakPolarHBondContact CA-O 3.44Å; G812-L827 PolarHBondContact N-O 3.2Å; G812-D830 PolarHBondContact N-OD1 3.13Å
813	I	75.9	Confident	84.3	Confident	128 Å²	128	31.6 Å²	31.6	66%	0.656	17%	0.171	S	C	*	.	S	Bend	trans	-93	-53	-175.1	-49.7	173.9	0	0	0	110.6	D830	I813-D830 WeakPolarHBondContact CB-OD2 3.41Å; I813-D830 PolarHBondContact N-OD1 3.04Å
814	A	70.1	Confident	84.5	Confident	41 Å²	41	26.3 Å²	26.3	34%	0.339	15%	0.149	S	C	.	.	S	Bend	trans	-82.3	-22.8	-179.7	0	0	0	0	0	114	M811 D830	M811-A814 HydrophobicContact CB-CB 4.33Å; A814-D830 WeakPolarHBondContact CB-OD2 3.46Å; A814-D830 PolarHBondContact N-OD2 2.9Å
815	G	76.4	Confident	84.7	Confident	6 Å²	6	23 Å²	23	6%	0.062	14%	0.135	C	C	.	.			trans	-74.6	141.9	-170.6	0	0	0	0	0	114.5	D794 M811 K820	D794-G815 WeakPolarHBondContact O-CA 3.43Å; M811-G815 WeakPolarHBondContact O-CA 3.43Å; M811-G815 PolarHBondContact O-N 2.91Å; G815-K820 VanDerWaalsContact O-CE 3.3Å; G815-K820 WeakPolarHBondContact O-CE 3.42Å; G815-K820 PolarHBondContact O-NZ 2.94Å
816	T	76.7	Confident	84.6	Confident	22 Å²	22	23 Å²	23	14%	0.135	13%	0.132	C	C	.	.			trans	-63.5	154	168.3	56.7	0	0	0	0	111.4	G222 D794 T796 V818 A819 K820	G222-T816 WeakPolarHBondContact O-CB 3.24Å; D794-T816 WeakPolarHBondContact O-CB 3.48Å; D794-T816 WeakPolarHBondContact O-CG2 3.49Å; D794-T816 PolarHBondContact O-N 2.67Å; D794-T816 PolarHBondContact O-OG1 3.06Å; T796-T816 HydrophobicContact CG2-CG2 4.21Å; T796-T816 PolarHBondContact N-OG1 3.47Å; T816-V818 VanDerWaalsContact C-N 3.27Å; T816-V818 PolarHBondContact O-N 3.34Å; T816-A819 PolarHBondContact O-N 3.46Å; T816-A819 VanDerWaalsContact O-N 3.16Å; T816-A819 WeakPolarHBondContact OG1-CB 3.5Å; T816-A819 PolarHBondContact OG1-N 3.05Å; T816-K820 PolarHBondContact O-N 2.89Å
817	D	78.4	Confident	84.5	Confident	44 Å²	44	21.7 Å²	21.7	24%	0.235	13%	0.125	C	C	.	.	H	α-helix	trans	-71.2	-27.9	-179.2	-60.5	-35.2	0	0	0	111.6	G222 L224 K820 E821	G222-D817 PolarHBondContact O-N 3.14Å; L224-D817 HydrophobicContact CB-CB 3.82Å; D817-K820 PolarHBondContact O-N 3.02Å; D817-K820 WeakPolarHBondContact OD1-CD 3.46Å; D817-K820 IonicContact OD1-NZ 3.57Å; D817-K820 PolarHBondContact OD1-NZ 3.38Å; D817-E821 WeakPolarHBondContact O-CB 3.04Å; D817-E821 PolarHBondContact O-N 3.23Å
818	V	75	Confident	84.2	Confident	16 Å²	16	23.5 Å²	23.5	10%	0.097	14%	0.136	C	C	.	.	H	α-helix	trans	-57.3	-47.8	166.9	-173.1	0	0	0	0	111.6	H266 T796 T816 E821 A822	H266-V818 HydrophobicContact CB-CG2 3.83Å; T796-V818 HydrophobicContact CG2-CB 3.86Å; T796-V818 HydrophobicContact CG2-CG1 4.35Å; T796-V818 HydrophobicContact CG2-CG2 3.64Å; T816-V818 VanDerWaalsContact C-N 3.27Å; T816-V818 PolarHBondContact O-N 3.34Å; V818-E821 PolarHBondContact O-N 3.36Å; V818-A822 WeakPolarHBondContact O-CB 3.47Å; V818-A822 PolarHBondContact O-N 3.1Å
819	A	79.4	Confident	83.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-43.5	178.3	0	0	0	0	0	111.3	L802 A810 T816 E821 A822 S823	L802-A819 HydrophobicContact CD1-CB 3.99Å; A810-A819 HydrophobicContact CB-CB 4.42Å; T816-A819 PolarHBondContact O-N 3.46Å; T816-A819 VanDerWaalsContact O-N 3.16Å; T816-A819 WeakPolarHBondContact OG1-CB 3.5Å; T816-A819 PolarHBondContact OG1-N 3.05Å; A819-E821 VanDerWaalsContact C-N 3.34Å; A819-E821 PolarHBondContact O-N 2.8Å; A819-A822 PolarHBondContact O-N 3.08Å; A819-S823 VanDerWaalsContact O-CB 3.3Å; A819-S823 WeakPolarHBondContact O-CB 3.33Å; A819-S823 PolarHBondContact O-N 2.63Å; A819-S823 PolarHBondContact O-OG 3.08Å
820	K	84.4	Confident	83.4	Confident	39 Å²	39	25.8 Å²	25.8	17%	0.17	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-42.7	175.3	-71.5	159.4	175.5	154	0	112.2	R456 A810 M811 G812 G815 T816 D817 S823 I826	R456-K820 PolarHBondContact NH1-O 2.93Å; A810-K820 HydrophobicContact CB-CB 4.36Å; A810-K820 HydrophobicContact CB-CG 3.98Å; M811-K820 WeakPolarHBondContact O-CE 3.29Å; G812-K820 WeakPolarHBondContact O-CE 3.48Å; G812-K820 PolarHBondContact O-NZ 3.37Å; G812-K820 VanDerWaalsContact O-NZ 3.15Å; G815-K820 VanDerWaalsContact O-CE 3.3Å; G815-K820 WeakPolarHBondContact O-CE 3.42Å; G815-K820 PolarHBondContact O-NZ 2.94Å; T816-K820 PolarHBondContact O-N 2.89Å; D817-K820 PolarHBondContact O-N 3.02Å; D817-K820 WeakPolarHBondContact OD1-CD 3.46Å; D817-K820 IonicContact OD1-NZ 3.57Å; D817-K820 PolarHBondContact OD1-NZ 3.38Å; K820-S823 PolarHBondContact O-N 3.38Å; K820-S823 PolarHBondContact O-OG 2.84Å; K820-I826 HydrophobicContact CB-CD1 3.85Å; K820-I826 HydrophobicContact CB-CG1 4.34Å; K820-I826 HydrophobicContact CG-CD1 3.96Å; K820-I826 HydrophobicContact CG-CG1 4.27Å
821	E	80.5	Confident	83.2	Confident	89 Å²	89	27 Å²	27	42%	0.416	16%	0.155	S	C	.	.	H	α-helix	trans	-73	-33.8	179.5	-176.6	146.4	-149.1	0	0	113.5	H266 R456 D817 V818 A819 S823	H266-E821 IonicContact CE1-OE2 4Å; H266-E821 PolarHBondContact CE1-OE2 2.68Å; H266-E821 IonicContact NE2-OE2 2.75Å; R456-E821 PolarHBondContact NH1-O 2.86Å; D817-E821 WeakPolarHBondContact O-CB 3.04Å; D817-E821 PolarHBondContact O-N 3.23Å; V818-E821 PolarHBondContact O-N 3.36Å; A819-E821 VanDerWaalsContact C-N 3.34Å; A819-E821 PolarHBondContact O-N 2.8Å; E821-S823 VanDerWaalsContact C-N 3.28Å; E821-S823 PolarHBondContact O-N 2.84Å
822	A	79.6	Confident	83.4	Confident	15 Å²	15	27 Å²	27	12%	0.124	16%	0.155	C	C	.	.	H	α-helix	trans	-71.6	-18.3	171.6	0	0	0	0	0	114	L802 K803 V818 A819	L802-A822 HydrophobicContact CB-CB 4.1Å; L802-A822 HydrophobicContact CD1-CB 4.41Å; K803-A822 HydrophobicContact CB-CB 4.48Å; V818-A822 WeakPolarHBondContact O-CB 3.47Å; V818-A822 PolarHBondContact O-N 3.1Å; A819-A822 PolarHBondContact O-N 3.08Å
823	S	88.9	Confident	83.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.			trans	-92.9	156.7	-174.8	75.5	0	0	0	0	115	R456 G808 A810 A819 K820 E821	R456-S823 PolarHBondContact NH1-O 3.02Å; G808-S823 WeakPolarHBondContact O-CB 3.38Å; A810-S823 VanDerWaalsContact CB-OG 3.24Å; A810-S823 WeakPolarHBondContact CB-OG 3.44Å; A819-S823 VanDerWaalsContact O-CB 3.3Å; A819-S823 WeakPolarHBondContact O-CB 3.33Å; A819-S823 PolarHBondContact O-N 2.63Å; A819-S823 PolarHBondContact O-OG 3.08Å; K820-S823 PolarHBondContact O-N 3.38Å; K820-S823 PolarHBondContact O-OG 2.84Å; E821-S823 VanDerWaalsContact C-N 3.28Å; E821-S823 PolarHBondContact O-N 2.84Å
824	D	91.1	Very high	84.7	Confident	18 Å²	18	22.2 Å²	22.2	10%	0.096	13%	0.128	C	C	.	.	S	Bend	trans	-95.6	-26.4	177.4	-51.3	-60.7	0	0	0	112.8	R456 H457 A460 G808	R456-D824 WeakPolarHBondContact CB-O 3.29Å; R456-D824 PolarHBondContact N-O 3.11Å; H457-D824 HydrophobicContact CB-CB 4.11Å; H457-D824 IonicContact CD2-OD1 3.45Å; H457-D824 PolarHBondContact CD2-OD1 3.19Å; H457-D824 IonicContact CG-OD1 3.73Å; H457-D824 PolarHBondContact N-O 2.94Å; A460-D824 HydrophobicContact CB-CB 3.49Å; A460-D824 VanDerWaalsContact CB-CB 3.49Å; G808-D824 PolarHBondContact N-OD2 3.35Å; G808-D824 PolarHBondContact O-N 3.33Å
825	I	92.9	Very high	85.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127	178.7	-53.2	-179.1	0	0	0	109.4	M448 N453 V455 V807 G808 F809 A810	M448-I825 HydrophobicContact CE-CD1 4.25Å; N453-I825 HydrophobicContact CB-CG2 4.14Å; V455-I825 HydrophobicContact CG1-CG1 4.37Å; V455-I825 HydrophobicContact CG2-CD1 4.29Å; V455-I825 HydrophobicContact CG2-CG1 4.2Å; V455-I825 HydrophobicContact CG2-CG2 4.38Å; V807-I825 HydrophobicContact CG1-CD1 4.04Å; V807-I825 HydrophobicContact CG1-CG1 4.35Å; G808-I825 PolarHBondContact O-N 3.21Å; F809-I825 VanDerWaalsContact CA-O 3.3Å; F809-I825 WeakPolarHBondContact CA-O 3.45Å; F809-I825 HydrophobicContact CD1-CB 3.88Å; F809-I825 HydrophobicContact CD1-CG2 4.03Å; F809-I825 HydrophobicContact CE1-CB 3.85Å; F809-I825 HydrophobicContact CE1-CD1 3.91Å; F809-I825 HydrophobicContact CE1-CG1 4.41Å; F809-I825 HydrophobicContact CE1-CG2 3.83Å; F809-I825 HydrophobicContact CZ-CD1 3.91Å; A810-I825 PolarHBondContact N-O 2.63Å
826	I	90.8	Very high	86.7	Confident	17 Å²	17	20.3 Å²	20.3	9%	0.087	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.4	172.1	-60.8	173.5	0	0	0	109.1	L454 R456 A810 K820	L454-I826 HydrophobicContact CB-CB 4.28Å; L454-I826 PolarHBondContact N-O 2.85Å; L454-I826 PolarHBondContact O-N 2.99Å; R456-I826 HydrophobicContact CG-CD1 4.44Å; A810-I826 HydrophobicContact CB-CG1 4.45Å; A810-I826 WeakPolarHBondContact O-CA 3.33Å; K820-I826 HydrophobicContact CB-CD1 3.85Å; K820-I826 HydrophobicContact CB-CG1 4.34Å; K820-I826 HydrophobicContact CG-CD1 3.96Å; K820-I826 HydrophobicContact CG-CG1 4.27Å
827	L	91.5	Very high	87.6	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	105.1	173.5	-56.7	-175.8	0	0	0	109.6	N453 F809 A810 M811 G812 D829 D830 I835	N453-L827 VanDerWaalsContact OD1-CD2 3.3Å; N453-L827 WeakPolarHBondContact OD1-CD2 3.26Å; F809-L827 HydrophobicContact CD1-CD1 4.41Å; F809-L827 HydrophobicContact CD1-CD2 3.72Å; F809-L827 HydrophobicContact CD1-CG 4.09Å; F809-L827 HydrophobicContact CE1-CD2 4.07Å; A810-L827 PolarHBondContact O-N 3.13Å; M811-L827 HydrophobicContact CE-CD1 3.77Å; M811-L827 HydrophobicContact CE-CG 4.48Å; M811-L827 HydrophobicContact SD-CD1 4.37Å; G812-L827 WeakPolarHBondContact CA-O 3.44Å; G812-L827 PolarHBondContact N-O 3.2Å; L827-D829 PolarHBondContact O-N 2.95Å; L827-D829 VanDerWaalsContact O-N 3.13Å; L827-D830 PolarHBondContact O-N 2.87Å; L827-I835 HydrophobicContact CD1-CD1 3.98Å; L827-I835 HydrophobicContact CD1-CG1 3.63Å; L827-I835 HydrophobicContact CD2-CG1 4.31Å
828	T	88.1	Confident	88.3	Confident	38 Å²	38	20.4 Å²	20.4	23%	0.233	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.8	-174	63.7	0	0	0	0	114	N452 L454	N452-T828 WeakPolarHBondContact CA-OG1 3.19Å; N452-T828 PolarHBondContact O-N 3.06Å; N452-T828 PolarHBondContact O-OG1 3.35Å; L454-T828 HydrophobicContact CB-CG2 3.93Å
829	D	86.4	Confident	89.2	Confident	40 Å²	40	19.8 Å²	19.8	21%	0.214	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	5	176.5	67.7	-8.5	0	0	0	114.5	N452 L827 N831 S834	N452-D829 HydrophobicContact CB-CB 4.09Å; N452-D829 PolarHBondContact ND2-OD2 2.84Å; L827-D829 PolarHBondContact O-N 2.95Å; L827-D829 VanDerWaalsContact O-N 3.13Å; D829-N831 HydrophobicContact CB-CB 4.42Å; D829-N831 VanDerWaalsContact CG-CB 3.42Å; D829-N831 PolarHBondContact O-N 2.94Å; D829-N831 VanDerWaalsContact O-N 3.13Å; D829-N831 VanDerWaalsContact OD1-CB 3.29Å; D829-N831 WeakPolarHBondContact OD1-CB 3.5Å; D829-N831 PolarHBondContact OD1-N 3.2Å; D829-N831 VanDerWaalsContact OD1-N 3.11Å; D829-N831 WeakPolarHBondContact OD2-CB 3.11Å; D829-S834 PolarHBondContact OD1-OG 2.95Å; D829-S834 PolarHBondContact OD2-OG 3.5Å; D829-S834 VanDerWaalsContact OD2-OG 3.05Å
830	D	86	Confident	89.9	Confident	8 Å²	8	21 Å²	21	4%	0.043	11%	0.109	C	C	.	.			trans	51.1	27.2	-174	-62.6	3.5	0	0	0	113.9	R684 M811 G812 I813 A814 L827	R684-D830 PolarHBondContact NH1-O 2.91Å; R684-D830 VanDerWaalsContact NH2-CB 3.34Å; R684-D830 PolarHBondContact NH2-O 3.23Å; M811-D830 HydrophobicContact CB-CB 4.45Å; M811-D830 WeakPolarHBondContact CB-OD1 3.4Å; M811-D830 HydrophobicContact SD-CB 3.97Å; G812-D830 PolarHBondContact N-OD1 3.13Å; I813-D830 WeakPolarHBondContact CB-OD2 3.41Å; I813-D830 PolarHBondContact N-OD1 3.04Å; A814-D830 WeakPolarHBondContact CB-OD2 3.46Å; A814-D830 PolarHBondContact N-OD2 2.9Å; L827-D830 PolarHBondContact O-N 2.87Å
831	N	86.4	Confident	90.3	Very high	27 Å²	27	19.7 Å²	19.7	14%	0.144	10%	0.103	C	C	.	.			trans	-100.8	125.5	-170.5	-159	-46.1	0	0	0	112.9	E686 D829 T833 S834	E686-N831 WeakPolarHBondContact CG-OD1 3.37Å; E686-N831 PolarHBondContact OE1-ND2 2.96Å; E686-N831 PolarHBondContact OE1-OD1 3.01Å; D829-N831 HydrophobicContact CB-CB 4.42Å; D829-N831 VanDerWaalsContact CG-CB 3.42Å; D829-N831 PolarHBondContact O-N 2.94Å; D829-N831 VanDerWaalsContact O-N 3.13Å; D829-N831 VanDerWaalsContact OD1-CB 3.29Å; D829-N831 WeakPolarHBondContact OD1-CB 3.5Å; D829-N831 PolarHBondContact OD1-N 3.2Å; D829-N831 VanDerWaalsContact OD1-N 3.11Å; D829-N831 WeakPolarHBondContact OD2-CB 3.11Å; N831-T833 PolarHBondContact O-N 2.89Å; N831-T833 VanDerWaalsContact O-N 3.14Å; N831-T833 WeakPolarHBondContact OD1-CB 3.27Å; N831-T833 PolarHBondContact OD1-N 3.02Å; N831-T833 PolarHBondContact OD1-OG1 2.94Å; N831-S834 WeakPolarHBondContact O-CB 3.41Å; N831-S834 PolarHBondContact O-N 3.24Å
832	F	90.6	Very high	90.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-26.1	174.2	-166.7	-89.5	0	0	0	112.9	I470 T477 L478 V687 A690 I691 V701 S834 I835 V836	I470-F832 HydrophobicContact CD1-CZ 4.33Å; I470-F832 HydrophobicContact CG2-CE2 4.13Å; I470-F832 HydrophobicContact CG2-CZ 4.33Å; T477-F832 HydrophobicContact CG2-CD2 3.88Å; L478-F832 HydrophobicContact CD2-CD2 3.56Å; L478-F832 HydrophobicContact CD2-CE2 3.89Å; L478-F832 HydrophobicContact CD2-CG 4.06Å; V687-F832 HydrophobicContact CG2-CB 3.81Å; A690-F832 HydrophobicContact CB-CD1 3.76Å; A690-F832 HydrophobicContact CB-CE1 4.37Å; I691-F832 HydrophobicContact CG1-CD1 4.18Å; I691-F832 HydrophobicContact CG1-CE1 3.63Å; I691-F832 HydrophobicContact CG1-CZ 4.05Å; V701-F832 HydrophobicContact CG1-CZ 4.12Å; V701-F832 HydrophobicContact CG2-CZ 4.07Å; F832-S834 PolarHBondContact O-N 3.39Å; F832-I835 HydrophobicContact CD2-CD1 3.77Å; F832-I835 HydrophobicContact CE2-CD1 4.08Å; F832-I835 HydrophobicContact CG-CD1 4.35Å; F832-I835 VanDerWaalsContact O-CB 3.32Å; F832-I835 WeakPolarHBondContact O-CB 3.36Å; F832-I835 PolarHBondContact O-N 2.98Å; F832-I835 VanDerWaalsContact O-N 3.11Å; F832-V836 PolarHBondContact O-N 2.97Å
833	T	91.9	Very high	91.4	Very high	45 Å²	45	14.9 Å²	14.9	28%	0.276	8%	0.078	S	C	.	.	H	α-helix	trans	-61.3	-32.6	173	-52.8	0	0	0	0	112.1	E686 N831 I835 V836 K837	E686-T833 WeakPolarHBondContact CG-OG1 3.45Å; N831-T833 PolarHBondContact O-N 2.89Å; N831-T833 VanDerWaalsContact O-N 3.14Å; N831-T833 WeakPolarHBondContact OD1-CB 3.27Å; N831-T833 PolarHBondContact OD1-N 3.02Å; N831-T833 PolarHBondContact OD1-OG1 2.94Å; T833-I835 VanDerWaalsContact C-N 3.25Å; T833-I835 PolarHBondContact O-N 3.33Å; T833-V836 WeakPolarHBondContact O-CB 3.39Å; T833-V836 PolarHBondContact O-N 3.39Å; T833-V836 VanDerWaalsContact O-N 3.1Å; T833-K837 PolarHBondContact O-N 2.89Å; T833-K837 VanDerWaalsContact O-N 3.09Å
834	S	93.9	Very high	91.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-32.8	176.1	-58.9	0	0	0	0	111.1	N453 D829 N831 F832 K837 A838	N453-S834 WeakPolarHBondContact ND2-CB 3.24Å; N453-S834 PolarHBondContact ND2-O 3.35Å; N453-S834 PolarHBondContact OD1-O 2.75Å; D829-S834 PolarHBondContact OD1-OG 2.95Å; D829-S834 PolarHBondContact OD2-OG 3.5Å; D829-S834 VanDerWaalsContact OD2-OG 3.05Å; N831-S834 WeakPolarHBondContact O-CB 3.41Å; N831-S834 PolarHBondContact O-N 3.24Å; F832-S834 PolarHBondContact O-N 3.39Å; S834-K837 WeakPolarHBondContact O-CB 3.36Å; S834-K837 PolarHBondContact O-N 3.47Å; S834-A838 PolarHBondContact O-N 3.12Å
835	I	94.6	Very high	91.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-39.6	172.4	-51.3	179	0	0	0	111.2	M464 I470 T792 F809 L827 F832 T833 K837 A838 V839	M464-I835 HydrophobicContact CE-CG2 3.45Å; M464-I835 VanDerWaalsContact CE-CG2 3.45Å; I470-I835 HydrophobicContact CD1-CG2 4.12Å; T792-I835 HydrophobicContact CG2-CD1 3.55Å; F809-I835 HydrophobicContact CD1-CG1 4.11Å; F809-I835 HydrophobicContact CE1-CG1 4.17Å; F809-I835 HydrophobicContact CE1-CG2 4.28Å; F809-I835 HydrophobicContact CE2-CG2 4.13Å; F809-I835 HydrophobicContact CG-CG1 4.49Å; F809-I835 HydrophobicContact CZ-CG2 3.93Å; L827-I835 HydrophobicContact CD1-CD1 3.98Å; L827-I835 HydrophobicContact CD1-CG1 3.63Å; L827-I835 HydrophobicContact CD2-CG1 4.31Å; F832-I835 HydrophobicContact CD2-CD1 3.77Å; F832-I835 HydrophobicContact CE2-CD1 4.08Å; F832-I835 HydrophobicContact CG-CD1 4.35Å; F832-I835 VanDerWaalsContact O-CB 3.32Å; F832-I835 WeakPolarHBondContact O-CB 3.36Å; F832-I835 PolarHBondContact O-N 2.98Å; F832-I835 VanDerWaalsContact O-N 3.11Å; T833-I835 VanDerWaalsContact C-N 3.25Å; T833-I835 PolarHBondContact O-N 3.33Å; I835-K837 VanDerWaalsContact C-N 3.29Å; I835-K837 PolarHBondContact O-N 3.38Å; I835-A838 WeakPolarHBondContact O-CB 3.35Å; I835-A838 PolarHBondContact O-N 3.46Å; I835-A838 VanDerWaalsContact O-N 3.13Å; I835-V839 PolarHBondContact O-N 2.83Å
836	V	94.5	Very high	91.2	Very high	7 Å²	7	15.1 Å²	15.1	4%	0.042	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-38.2	174.9	-172.1	0	0	0	0	110.9	A690 K693 F832 T833 M840 L909	A690-V836 HydrophobicContact CB-CG2 3.76Å; K693-V836 HydrophobicContact CB-CG1 4.08Å; F832-V836 PolarHBondContact O-N 2.97Å; T833-V836 WeakPolarHBondContact O-CB 3.39Å; T833-V836 PolarHBondContact O-N 3.39Å; T833-V836 VanDerWaalsContact O-N 3.1Å; V836-M840 PolarHBondContact O-N 3.25Å; V836-M840 VanDerWaalsContact O-N 3.12Å; V836-L909 HydrophobicContact CG1-CD1 3.73Å
837	K	94	Very high	91.1	Very high	68 Å²	68	14.5 Å²	14.5	30%	0.296	8%	0.075	S	C	.	.	H	α-helix	trans	-65	-39.8	172	-62.4	-173.9	179.8	-176.7	0	112.1	D451 T833 S834 I835 V839 M840 W841	D451-K837 HydrophobicContact CB-CD 3.72Å; D451-K837 WeakPolarHBondContact OD1-CD 3.46Å; D451-K837 WeakPolarHBondContact OD1-CE 3.39Å; D451-K837 IonicContact OD1-NZ 2.79Å; D451-K837 PolarHBondContact OD1-NZ 3.1Å; T833-K837 PolarHBondContact O-N 2.89Å; T833-K837 VanDerWaalsContact O-N 3.09Å; S834-K837 WeakPolarHBondContact O-CB 3.36Å; S834-K837 PolarHBondContact O-N 3.47Å; I835-K837 VanDerWaalsContact C-N 3.29Å; I835-K837 PolarHBondContact O-N 3.38Å; K837-V839 PolarHBondContact O-N 2.69Å; K837-M840 WeakPolarHBondContact O-CB 3.47Å; K837-M840 PolarHBondContact O-N 3.39Å; K837-M840 VanDerWaalsContact O-N 3.13Å; K837-W841 PolarHBondContact O-N 3.34Å
838	A	94.2	Very high	91	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-42.9	176.6	0	0	0	0	0	112.5	M448 M464 F809 S834 I835 M840 W841 G842	M448-A838 HydrophobicContact CE-CB 3.74Å; M464-A838 HydrophobicContact CG-CB 4.12Å; F809-A838 HydrophobicContact CE1-CB 4.11Å; F809-A838 HydrophobicContact CZ-CB 4.04Å; S834-A838 PolarHBondContact O-N 3.12Å; I835-A838 WeakPolarHBondContact O-CB 3.35Å; I835-A838 PolarHBondContact O-N 3.46Å; I835-A838 VanDerWaalsContact O-N 3.13Å; A838-M840 VanDerWaalsContact C-N 3.31Å; A838-M840 PolarHBondContact O-N 3.28Å; A838-W841 PolarHBondContact O-N 3.39Å; A838-G842 PolarHBondContact O-N 3.35Å
839	V	94.5	Very high	91	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-44.6	171.1	173.5	0	0	0	0	111.1	M464 I699 I835 K837 G842 R843 L909	M464-V839 HydrophobicContact CE-CG2 3.47Å; M464-V839 VanDerWaalsContact CE-CG2 3.47Å; M464-V839 HydrophobicContact CG-CG2 4.06Å; M464-V839 HydrophobicContact SD-CG2 4.41Å; I699-V839 HydrophobicContact CD1-CB 4.42Å; I699-V839 HydrophobicContact CD1-CG1 3.73Å; I699-V839 HydrophobicContact CD1-CG2 3.79Å; I835-V839 PolarHBondContact O-N 2.83Å; K837-V839 PolarHBondContact O-N 2.69Å; V839-G842 PolarHBondContact O-N 3.48Å; V839-R843 WeakPolarHBondContact O-CB 3.32Å; V839-R843 VanDerWaalsContact O-CG 3.31Å; V839-R843 WeakPolarHBondContact O-CG 3.47Å; V839-R843 PolarHBondContact O-N 3.05Å; V839-L909 HydrophobicContact CG1-CD2 3.9Å
840	M	93.7	Very high	91.2	Very high	26 Å²	26	11 Å²	11	13%	0.128	6%	0.056	C	C	.	.	H	α-helix	trans	-65.1	-43.2	-179	-158.5	-164	-65.4	0	0	111.9	V836 K837 A838 N844 P904 E906 L908 L909	V836-M840 PolarHBondContact O-N 3.25Å; V836-M840 VanDerWaalsContact O-N 3.12Å; K837-M840 WeakPolarHBondContact O-CB 3.47Å; K837-M840 PolarHBondContact O-N 3.39Å; K837-M840 VanDerWaalsContact O-N 3.13Å; A838-M840 VanDerWaalsContact C-N 3.31Å; A838-M840 PolarHBondContact O-N 3.28Å; M840-N844 WeakPolarHBondContact O-CB 3.26Å; M840-N844 PolarHBondContact O-N 2.75Å; M840-N844 VanDerWaalsContact O-N 3.1Å; M840-P904 HydrophobicContact CG-CB 3.89Å; M840-P904 HydrophobicContact SD-CB 3.9Å; M840-P904 HydrophobicContact SD-CG 4.31Å; M840-E906 HydrophobicContact CE-CG 3.95Å; M840-L908 HydrophobicContact CG-CB 4.35Å; M840-L908 HydrophobicContact CG-CD1 4.17Å; M840-L908 WeakPolarHBondContact O-CD1 3.2Å; M840-L909 HydrophobicContact CB-CD2 4.29Å; M840-L909 HydrophobicContact CE-CD1 3.7Å; M840-L909 HydrophobicContact CE-CG 4.3Å; M840-L909 HydrophobicContact CG-CD2 4.49Å; M840-L909 HydrophobicContact CG-CG 4.35Å
841	W	93.1	Very high	91.4	Very high	12 Å²	12	11.3 Å²	11.3	5%	0.045	6%	0.057	C	C	.	.	H	α-helix	trans	-65.2	-45.3	174.9	-85	106.8	0	0	0	112.3	K447 M448 D451 K837 A838 R843 N844 V845 P904	K447-W841 HydrophobicContact CB-CH2 3.32Å; K447-W841 HydrophobicContact CB-CZ2 3.32Å; K447-W841 HydrophobicContact CB-CZ3 3.98Å; K447-W841 HydrophobicContact CD-CH2 4.27Å; K447-W841 HydrophobicContact CG-CH2 3.64Å; K447-W841 HydrophobicContact CG-CZ2 4.1Å; K447-W841 HydrophobicContact CG-CZ3 4.3Å; M448-W841 HydrophobicContact CG-CB 3.65Å; M448-W841 HydrophobicContact CG-CD2 4.01Å; M448-W841 HydrophobicContact CG-CG 3.43Å; M448-W841 VanDerWaalsContact CG-CG 3.43Å; M448-W841 HydrophobicContact SD-CB 3.63Å; M448-W841 HydrophobicContact SD-CG 4.13Å; D451-W841 PolarHBondContact OD2-NE1 3.36Å; K837-W841 PolarHBondContact O-N 3.34Å; A838-W841 PolarHBondContact O-N 3.39Å; W841-R843 PolarHBondContact O-N 3.27Å; W841-N844 WeakPolarHBondContact O-CA 3.37Å; W841-N844 WeakPolarHBondContact O-CB 3.44Å; W841-N844 PolarHBondContact O-N 3.02Å; W841-V845 PolarHBondContact O-N 3.02Å; W841-P904 HydrophobicContact CD2-CG 3.88Å; W841-P904 HydrophobicContact CE3-CG 4.21Å; W841-P904 HydrophobicContact CG-CG 4.38Å; W841-P904 HydrophobicContact CH2-CG 4.1Å; W841-P904 VanDerWaalsContact CZ2-CD 3.49Å; W841-P904 HydrophobicContact CZ2-CG 3.76Å; W841-P904 HydrophobicContact CZ3-CG 4.32Å
842	G	91.8	Very high	91.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-62	-40.8	177.3	0	0	0	0	0	113.5	C461 A838 V839 N844 V845 Y846	C461-G842 WeakPolarHBondContact O-CA 3.39Å; A838-G842 PolarHBondContact O-N 3.35Å; V839-G842 PolarHBondContact O-N 3.48Å; G842-N844 VanDerWaalsContact C-N 3.25Å; G842-N844 PolarHBondContact O-N 2.77Å; G842-V845 PolarHBondContact O-N 3.2Å; G842-Y846 PolarHBondContact O-N 3.4Å
843	R	91.6	Very high	91.6	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-63.9	-30.8	172.1	-72.5	179.1	-178.4	-164	2.6	112.6	G465 A697 V839 W841 D847 L908 R911	G465-R843 WeakPolarHBondContact O-CG 3.36Å; G465-R843 PolarHBondContact O-NE 3.21Å; G465-R843 VanDerWaalsContact O-NE 3.11Å; A697-R843 PolarHBondContact O-NH2 3.03Å; V839-R843 WeakPolarHBondContact O-CB 3.32Å; V839-R843 VanDerWaalsContact O-CG 3.31Å; V839-R843 WeakPolarHBondContact O-CG 3.47Å; V839-R843 PolarHBondContact O-N 3.05Å; W841-R843 PolarHBondContact O-N 3.27Å; R843-D847 PolarHBondContact O-N 3.18Å; R843-L908 HydrophobicContact CB-CB 4.23Å; R843-L908 HydrophobicContact CB-CD1 4.48Å; R843-L908 VanDerWaalsContact CD-O 3.27Å; R843-L908 WeakPolarHBondContact CD-O 3.38Å; R843-L908 PolarHBondContact NH1-O 3.24Å; R843-R911 PolarHBondContact NH1-O 3.38Å
844	N	91.6	Very high	91.6	Very high	5 Å²	5	8 Å²	8	3%	0.027	4%	0.037	C	C	.	.	H	α-helix	trans	-75.3	-34.5	177	-171.5	64.7	0	0	0	113	M840 W841 G842 D847 S848 E902 P904 L908	M840-N844 WeakPolarHBondContact O-CB 3.26Å; M840-N844 PolarHBondContact O-N 2.75Å; M840-N844 VanDerWaalsContact O-N 3.1Å; W841-N844 WeakPolarHBondContact O-CA 3.37Å; W841-N844 WeakPolarHBondContact O-CB 3.44Å; W841-N844 PolarHBondContact O-N 3.02Å; G842-N844 VanDerWaalsContact C-N 3.25Å; G842-N844 PolarHBondContact O-N 2.77Å; N844-D847 PolarHBondContact O-N 2.73Å; N844-S848 WeakPolarHBondContact O-CB 3.28Å; N844-S848 PolarHBondContact O-N 3.36Å; N844-S848 PolarHBondContact O-OG 3.02Å; N844-E902 PolarHBondContact ND2-O 2.96Å; N844-P904 HydrophobicContact CB-CB 3.85Å; N844-L908 HydrophobicContact CB-CD1 3.76Å
845	V	89.5	Confident	91.6	Very high	1 Å²	1	8 Å²	8	1%	0.006	4%	0.037	C	C	.	.	H	α-helix	trans	-59.1	-52.7	174	170.5	0	0	0	0	110.3	L441 S444 W841 G842 D847 S848 I849	L441-V845 HydrophobicContact CD1-CG1 4.18Å; L441-V845 HydrophobicContact CD1-CG2 4.38Å; S444-V845 WeakPolarHBondContact OG-CG2 3.39Å; W841-V845 PolarHBondContact O-N 3.02Å; G842-V845 PolarHBondContact O-N 3.2Å; V845-D847 PolarHBondContact O-N 3.04Å; V845-S848 PolarHBondContact O-N 3.13Å; V845-I849 HydrophobicContact CG1-CD1 3.66Å; V845-I849 WeakPolarHBondContact O-CD1 3.37Å; V845-I849 WeakPolarHBondContact O-CG1 3.03Å; V845-I849 PolarHBondContact O-N 3.03Å
846	Y	86.9	Confident	91.5	Very high	17 Å²	17	8 Å²	8	7%	0.067	4%	0.037	C	C	.	.	H	α-helix	trans	-59.9	-44.7	178.6	-177.1	-81.9	0	0	0	112.5	L360 G842 S850 Y914 L920	L360-Y846 HydrophobicContact CD1-CD2 4.41Å; L360-Y846 HydrophobicContact CD1-CE2 4.34Å; L360-Y846 HydrophobicContact CD2-CD2 4.24Å; G842-Y846 PolarHBondContact O-N 3.4Å; Y846-S850 WeakPolarHBondContact O-CB 3.49Å; Y846-S850 PolarHBondContact O-N 3.46Å; Y846-S850 PolarHBondContact O-OG 3Å; Y846-Y914 AromaticContact CD1-CD2 3.52Å; Y846-Y914 HydrophobicContact CD1-CD2 3.52Å; Y846-Y914 AromaticContact CD1-CE2 3.15Å; Y846-Y914 HydrophobicContact CD1-CE2 3.15Å; Y846-Y914 HydrophobicContact CD1-CG 4.48Å; Y846-Y914 AromaticContact CD1-CZ 3.88Å; Y846-Y914 HydrophobicContact CD2-CD2 4.47Å; Y846-Y914 AromaticContact CE1-CD2 3.7Å; Y846-Y914 HydrophobicContact CE1-CD2 3.7Å; Y846-Y914 HydrophobicContact CE1-CE1 4.45Å; Y846-Y914 AromaticContact CE1-CE2 3.51Å; Y846-Y914 HydrophobicContact CE1-CE2 3.51Å; Y846-Y914 HydrophobicContact CE1-CG 4.24Å; Y846-Y914 AromaticContact CE1-CZ 3.87Å; Y846-Y914 AromaticContact CG-CD2 3.93Å; Y846-Y914 HydrophobicContact CG-CD2 3.93Å; Y846-Y914 AromaticContact CG-CE2 3.91Å; Y846-Y914 HydrophobicContact CG-CE2 3.91Å; Y846-L920 HydrophobicContact CE2-CD1 3.97Å
847	D	89	Confident	91.3	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-65.6	-39.1	178.2	-83	23.4	0	0	0	112	R843 N844 V845 S850 K851 L908 R911 Y914 I990 H991	R843-D847 PolarHBondContact O-N 3.18Å; N844-D847 PolarHBondContact O-N 2.73Å; V845-D847 PolarHBondContact O-N 3.04Å; D847-S850 CarbonylContact O-C 3.3Å; D847-S850 WeakPolarHBondContact O-CB 3.48Å; D847-S850 PolarHBondContact O-N 3.03Å; D847-K851 VanDerWaalsContact O-CG 3.3Å; D847-K851 WeakPolarHBondContact O-CG 3.42Å; D847-K851 PolarHBondContact O-N 3.09Å; D847-L908 WeakPolarHBondContact OD2-CD2 3.19Å; D847-R911 IonicContact OD1-CZ 3.84Å; D847-R911 IonicContact OD1-NH1 3.26Å; D847-R911 IonicContact OD1-NH2 2.64Å; D847-R911 PolarHBondContact OD1-NH2 2.71Å; D847-R911 IonicContact OD2-CZ 3.65Å; D847-R911 VanDerWaalsContact OD2-CZ 3.29Å; D847-R911 IonicContact OD2-NH1 2.66Å; D847-R911 PolarHBondContact OD2-NH1 2.64Å; D847-R911 IonicContact OD2-NH2 2.66Å; D847-R911 PolarHBondContact OD2-NH2 3.22Å; D847-Y914 WeakPolarHBondContact OD1-CE2 3.35Å; D847-Y914 PolarHBondContact OD1-OH 2.91Å; D847-I990 HydrophobicContact CB-CD1 4.18Å; D847-H991 IonicContact OD1-NE2 2.82Å; D847-H991 PolarHBondContact OD1-NE2 2.69Å; D847-H991 IonicContact OD2-CE1 3.06Å; D847-H991 IonicContact OD2-ND1 3.09Å; D847-H991 IonicContact OD2-NE2 3.33Å; D847-H991 PolarHBondContact OD2-NE2 2.67Å
848	S	89.5	Confident	91.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-70.6	-38	-178.2	-57.1	0	0	0	0	112.1	N844 V845 S850 K851 F852	N844-S848 WeakPolarHBondContact O-CB 3.28Å; N844-S848 PolarHBondContact O-N 3.36Å; N844-S848 PolarHBondContact O-OG 3.02Å; V845-S848 PolarHBondContact O-N 3.13Å; S848-S850 VanDerWaalsContact C-N 3.31Å; S848-K851 PolarHBondContact O-N 2.96Å; S848-F852 PolarHBondContact O-N 3.39Å; S848-F852 VanDerWaalsContact O-N 3.12Å
849	I	87.9	Confident	91.2	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-65.3	-37	169.8	-66.6	161.2	0	0	0	110.6	L360 L364 V437 V845 F852 L853	L360-I849 HydrophobicContact CD2-CB 4.27Å; L360-I849 HydrophobicContact CD2-CD1 3.48Å; L360-I849 VanDerWaalsContact CD2-CD1 3.48Å; L360-I849 HydrophobicContact CD2-CG1 4.47Å; L360-I849 HydrophobicContact CD2-CG2 4.07Å; L364-I849 HydrophobicContact CD1-CG2 4.02Å; V437-I849 HydrophobicContact CB-CD1 4.27Å; V437-I849 HydrophobicContact CG1-CD1 4.18Å; V437-I849 HydrophobicContact CG2-CD1 4.12Å; V845-I849 HydrophobicContact CG1-CD1 3.66Å; V845-I849 WeakPolarHBondContact O-CD1 3.37Å; V845-I849 WeakPolarHBondContact O-CG1 3.03Å; V845-I849 PolarHBondContact O-N 3.03Å; I849-F852 PolarHBondContact O-N 3.06Å; I849-L853 HydrophobicContact CG2-CD1 3.98Å; I849-L853 HydrophobicContact CG2-CG 4.49Å; I849-L853 WeakPolarHBondContact O-CB 3.33Å; I849-L853 WeakPolarHBondContact O-CD1 3.48Å; I849-L853 VanDerWaalsContact O-CG 3.27Å; I849-L853 WeakPolarHBondContact O-CG 3.37Å; I849-L853 PolarHBondContact O-N 2.67Å
850	S	89.3	Confident	91	Very high	4 Å²	4	5.6 Å²	5.6	3%	0.028	3%	0.027	C	C	.	.	H	α-helix	trans	-67.6	-35	175.6	-59.1	0	0	0	0	113.4	Y846 D847 S848 Q854	Y846-S850 WeakPolarHBondContact O-CB 3.49Å; Y846-S850 PolarHBondContact O-N 3.46Å; Y846-S850 PolarHBondContact O-OG 3Å; D847-S850 CarbonylContact O-C 3.3Å; D847-S850 WeakPolarHBondContact O-CB 3.48Å; D847-S850 PolarHBondContact O-N 3.03Å; S848-S850 VanDerWaalsContact C-N 3.31Å; S850-Q854 PolarHBondContact O-N 3.49Å
851	K	91.3	Very high	90.9	Very high	14 Å²	14	6.8 Å²	6.8	6%	0.061	4%	0.036	C	C	.	.	H	α-helix	trans	-62.9	-51.2	171.7	-66.8	164.1	-158.3	166.5	0	110.9	D847 S848 L853 Q854 F855 L899 E902 A987 R988 I990	D847-K851 VanDerWaalsContact O-CG 3.3Å; D847-K851 WeakPolarHBondContact O-CG 3.42Å; D847-K851 PolarHBondContact O-N 3.09Å; S848-K851 PolarHBondContact O-N 2.96Å; K851-L853 PolarHBondContact O-N 2.93Å; K851-Q854 WeakPolarHBondContact O-CB 3.16Å; K851-Q854 PolarHBondContact O-N 2.67Å; K851-Q854 VanDerWaalsContact O-N 3.12Å; K851-F855 PolarHBondContact O-N 2.98Å; K851-F855 VanDerWaalsContact O-N 3.12Å; K851-L899 HydrophobicContact CB-CB 4.47Å; K851-E902 IonicContact NZ-OE2 3.15Å; K851-E902 PolarHBondContact NZ-OE2 2.88Å; K851-A987 WeakPolarHBondContact CB-O 3.47Å; K851-A987 WeakPolarHBondContact CG-O 3.38Å; K851-R988 WeakPolarHBondContact CD-O 3.41Å; K851-R988 WeakPolarHBondContact CE-O 3.45Å; K851-I990 HydrophobicContact CB-CG2 4.46Å; K851-I990 HydrophobicContact CG-CG2 3.95Å
852	F	91.3	Very high	91	Very high	1 Å²	1	6.2 Å²	6.2	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-56.9	-47.7	176.5	167.8	-114.5	0	0	0	111.8	L433 A436 S848 I849 Q854 F855 Q856 M891 L899	L433-F852 HydrophobicContact CD2-CD1 4.5Å; L433-F852 HydrophobicContact CD2-CE1 3.69Å; L433-F852 HydrophobicContact CD2-CZ 4.33Å; A436-F852 HydrophobicContact CB-CD1 3.36Å; A436-F852 HydrophobicContact CB-CE1 3.28Å; A436-F852 HydrophobicContact CB-CG 4.15Å; A436-F852 HydrophobicContact CB-CZ 4.04Å; S848-F852 PolarHBondContact O-N 3.39Å; S848-F852 VanDerWaalsContact O-N 3.12Å; I849-F852 PolarHBondContact O-N 3.06Å; F852-Q854 VanDerWaalsContact C-N 3.31Å; F852-Q854 PolarHBondContact O-N 3.04Å; F852-F855 WeakPolarHBondContact O-CB 3.26Å; F852-F855 PolarHBondContact O-N 3.4Å; F852-Q856 HydrophobicContact CD2-CB 4.47Å; F852-Q856 HydrophobicContact CE2-CB 4.03Å; F852-Q856 HydrophobicContact CE2-CG 4.32Å; F852-Q856 HydrophobicContact CZ-CB 4.13Å; F852-Q856 HydrophobicContact CZ-CG 4.05Å; F852-Q856 WeakPolarHBondContact O-CB 3.29Å; F852-Q856 PolarHBondContact O-N 2.9Å; F852-M891 WeakPolarHBondContact CE2-O 3.37Å; F852-L899 HydrophobicContact CB-CB 4.26Å
853	L	89.6	Confident	90.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.9	-37.4	175.5	-75	162.5	0	0	0	113.1	L364 L367 L433 I849 K851 F855 L857 L920 M925	L364-L853 HydrophobicContact CD2-CD1 4Å; L364-L853 HydrophobicContact CD2-CD2 3.79Å; L364-L853 HydrophobicContact CD2-CG 4.37Å; L367-L853 HydrophobicContact CD2-CD2 4.13Å; L433-L853 HydrophobicContact CD1-CD2 4.32Å; L433-L853 HydrophobicContact CD2-CD2 3.59Å; I849-L853 HydrophobicContact CG2-CD1 3.98Å; I849-L853 HydrophobicContact CG2-CG 4.49Å; I849-L853 WeakPolarHBondContact O-CB 3.33Å; I849-L853 WeakPolarHBondContact O-CD1 3.48Å; I849-L853 VanDerWaalsContact O-CG 3.27Å; I849-L853 WeakPolarHBondContact O-CG 3.37Å; I849-L853 PolarHBondContact O-N 2.67Å; K851-L853 PolarHBondContact O-N 2.93Å; L853-F855 VanDerWaalsContact C-N 3.31Å; L853-F855 PolarHBondContact O-N 3.13Å; L853-L857 VanDerWaalsContact O-CB 3.23Å; L853-L857 WeakPolarHBondContact O-CB 3.16Å; L853-L857 WeakPolarHBondContact O-CG 3.37Å; L853-L857 PolarHBondContact O-N 3.16Å; L853-L920 HydrophobicContact CD1-CD1 4Å; L853-L920 HydrophobicContact CD1-CD2 3.66Å; L853-L920 HydrophobicContact CD1-CG 3.74Å; L853-M925 HydrophobicContact CB-CE 3.34Å; L853-M925 HydrophobicContact CD1-CE 4.46Å
854	Q	92.8	Very high	90.8	Very high	2 Å²	2	7 Å²	7	1%	0.009	4%	0.038	C	C	.	.	H	α-helix	trans	-64.3	-41.6	178.3	-167.6	-174.9	-87.7	0	0	110.4	S850 K851 F852 T858 M925 N928 I929 I990	S850-Q854 PolarHBondContact O-N 3.49Å; K851-Q854 WeakPolarHBondContact O-CB 3.16Å; K851-Q854 PolarHBondContact O-N 2.67Å; K851-Q854 VanDerWaalsContact O-N 3.12Å; F852-Q854 VanDerWaalsContact C-N 3.31Å; F852-Q854 PolarHBondContact O-N 3.04Å; Q854-T858 PolarHBondContact O-N 2.94Å; Q854-T858 PolarHBondContact O-OG1 3.42Å; Q854-M925 HydrophobicContact CB-CE 4.3Å; Q854-M925 HydrophobicContact CB-CG 4.03Å; Q854-M925 HydrophobicContact CG-CG 3.99Å; Q854-N928 HydrophobicContact CG-CB 4.25Å; Q854-N928 PolarHBondContact OE1-ND2 3.4Å; Q854-I929 HydrophobicContact CG-CG1 3.99Å; Q854-I990 HydrophobicContact CB-CG2 4.48Å
855	F	93.9	Very high	90.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-60.6	174.8	-174.6	-121.4	0	0	0	111.3	K851 F852 L853 L857 T858 V859 M891 A895 L899 Q980 N983 E984 A987	K851-F855 PolarHBondContact O-N 2.98Å; K851-F855 VanDerWaalsContact O-N 3.12Å; F852-F855 WeakPolarHBondContact O-CB 3.26Å; F852-F855 PolarHBondContact O-N 3.4Å; L853-F855 VanDerWaalsContact C-N 3.31Å; L853-F855 PolarHBondContact O-N 3.13Å; F855-L857 VanDerWaalsContact C-N 3.34Å; F855-L857 PolarHBondContact O-N 3.05Å; F855-T858 WeakPolarHBondContact O-CA 3.2Å; F855-T858 WeakPolarHBondContact O-CB 3.43Å; F855-T858 PolarHBondContact O-N 2.95Å; F855-V859 HydrophobicContact CD2-CG2 4.28Å; F855-V859 HydrophobicContact CE1-CG2 4.33Å; F855-V859 HydrophobicContact CE2-CG2 3.96Å; F855-V859 HydrophobicContact CZ-CG2 4.01Å; F855-V859 PolarHBondContact O-N 3.37Å; F855-M891 HydrophobicContact CE1-CB 4.34Å; F855-A895 HydrophobicContact CD1-CB 3.45Å; F855-A895 VanDerWaalsContact CD1-CB 3.45Å; F855-A895 HydrophobicContact CE1-CB 3.31Å; F855-A895 HydrophobicContact CZ-CB 4.47Å; F855-L899 HydrophobicContact CB-CD1 3.83Å; F855-L899 HydrophobicContact CD1-CD1 4.27Å; F855-L899 HydrophobicContact CG-CD1 4.23Å; F855-Q980 HydrophobicContact CE2-CB 4.17Å; F855-Q980 VanDerWaalsContact CE2-O 3.23Å; F855-Q980 WeakPolarHBondContact CE2-O 3.33Å; F855-Q980 HydrophobicContact CZ-CB 4.07Å; F855-N983 HydrophobicContact CD2-CB 4.42Å; F855-N983 HydrophobicContact CE2-CB 4.15Å; F855-E984 HydrophobicContact CD1-CG 4.35Å; F855-E984 HydrophobicContact CD2-CB 4.21Å; F855-E984 HydrophobicContact CD2-CG 4.48Å; F855-E984 HydrophobicContact CE1-CB 4.44Å; F855-E984 HydrophobicContact CE1-CG 4.13Å; F855-E984 HydrophobicContact CE2-CB 3.81Å; F855-E984 HydrophobicContact CE2-CG 4.31Å; F855-E984 HydrophobicContact CZ-CB 3.91Å; F855-E984 HydrophobicContact CZ-CG 4.11Å; F855-A987 HydrophobicContact CB-CB 3.76Å; F855-A987 HydrophobicContact CD2-CB 4.37Å; F855-A987 HydrophobicContact CG-CB 4.44Å
856	Q	91.6	Very high	90.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.3	-44.1	-173.7	-173.9	63.7	-21.9	0	0	112.3	P430 L433 F852 T858 V859 N860 M891 D892	P430-Q856 HydrophobicContact CB-CG 3.94Å; L433-Q856 HydrophobicContact CD2-CG 4.37Å; F852-Q856 HydrophobicContact CD2-CB 4.47Å; F852-Q856 HydrophobicContact CE2-CB 4.03Å; F852-Q856 HydrophobicContact CE2-CG 4.32Å; F852-Q856 HydrophobicContact CZ-CB 4.13Å; F852-Q856 HydrophobicContact CZ-CG 4.05Å; F852-Q856 WeakPolarHBondContact O-CB 3.29Å; F852-Q856 PolarHBondContact O-N 2.9Å; Q856-T858 VanDerWaalsContact C-N 3.33Å; Q856-T858 PolarHBondContact O-N 3.05Å; Q856-V859 PolarHBondContact O-N 3.36Å; Q856-N860 PolarHBondContact O-N 3.49Å; Q856-N860 PolarHBondContact O-OD1 3.49Å; Q856-M891 VanDerWaalsContact OE1-C 3.27Å; Q856-M891 VanDerWaalsContact OE1-CE 3.25Å; Q856-M891 VanDerWaalsContact OE1-CG 3.23Å; Q856-M891 PolarHBondContact OE1-O 3.48Å; Q856-M891 VanDerWaalsContact OE1-O 3.14Å; Q856-D892 VanDerWaalsContact NE2-CB 3.34Å; Q856-D892 PolarHBondContact NE2-OD1 2.93Å
857	L	90.6	Very high	90.8	Very high	17 Å²	17	9 Å²	9	9%	0.089	5%	0.049	C	C	.	.	H	α-helix	trans	-68.6	-28.7	177.1	-63.8	173.8	0	0	0	113.4	I371 L853 F855 V861 I921 M925 I929	I371-L857 HydrophobicContact CD1-CD2 3.55Å; L853-L857 VanDerWaalsContact O-CB 3.23Å; L853-L857 WeakPolarHBondContact O-CB 3.16Å; L853-L857 WeakPolarHBondContact O-CG 3.37Å; L853-L857 PolarHBondContact O-N 3.16Å; F855-L857 VanDerWaalsContact C-N 3.34Å; F855-L857 PolarHBondContact O-N 3.05Å; L857-V861 WeakPolarHBondContact O-CB 3.19Å; L857-V861 WeakPolarHBondContact O-CG2 3.23Å; L857-V861 PolarHBondContact O-N 3.08Å; L857-V861 VanDerWaalsContact O-N 3.12Å; L857-I921 HydrophobicContact CD1-CD1 3.61Å; L857-I921 HydrophobicContact CD1-CG1 4.08Å; L857-M925 HydrophobicContact CD1-CE 4.34Å; L857-I929 HydrophobicContact CB-CD1 3.92Å; L857-I929 HydrophobicContact CB-CG1 4.43Å; L857-I929 HydrophobicContact CD1-CD1 4.07Å
858	T	93.9	Very high	90.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-47.4	173	-53.7	0	0	0	0	110.3	Q854 F855 Q856 V861 V862 I929 H932 N983	Q854-T858 PolarHBondContact O-N 2.94Å; Q854-T858 PolarHBondContact O-OG1 3.42Å; F855-T858 WeakPolarHBondContact O-CA 3.2Å; F855-T858 WeakPolarHBondContact O-CB 3.43Å; F855-T858 PolarHBondContact O-N 2.95Å; Q856-T858 VanDerWaalsContact C-N 3.33Å; Q856-T858 PolarHBondContact O-N 3.05Å; T858-V861 PolarHBondContact O-N 2.8Å; T858-V862 WeakPolarHBondContact O-CG2 3.38Å; T858-V862 PolarHBondContact O-N 3.39Å; T858-V862 VanDerWaalsContact O-N 3.1Å; T858-I929 WeakPolarHBondContact OG1-CA 3.29Å; T858-H932 HydrophobicContact CG2-CB 3.78Å; T858-N983 WeakPolarHBondContact CG2-ND2 3.47Å
859	V	92.8	Very high	90.6	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-46.5	179.2	-168.6	0	0	0	0	111	F855 Q856 V861 V862 A863 V887 M891 F976 Q980	F855-V859 HydrophobicContact CD2-CG2 4.28Å; F855-V859 HydrophobicContact CE1-CG2 4.33Å; F855-V859 HydrophobicContact CE2-CG2 3.96Å; F855-V859 HydrophobicContact CZ-CG2 4.01Å; F855-V859 PolarHBondContact O-N 3.37Å; Q856-V859 PolarHBondContact O-N 3.36Å; V859-V861 PolarHBondContact O-N 3.1Å; V859-V862 PolarHBondContact O-N 3.1Å; V859-A863 WeakPolarHBondContact O-CB 3.35Å; V859-A863 PolarHBondContact O-N 2.9Å; V859-V887 HydrophobicContact CG1-CG1 4.15Å; V859-M891 HydrophobicContact CB-CB 4.21Å; V859-M891 HydrophobicContact CB-CE 3.77Å; V859-M891 HydrophobicContact CB-SD 4.15Å; V859-M891 HydrophobicContact CG1-CB 4.08Å; V859-M891 HydrophobicContact CG1-CE 3.72Å; V859-M891 HydrophobicContact CG1-CG 4.44Å; V859-M891 HydrophobicContact CG1-SD 3.51Å; V859-M891 VanDerWaalsContact CG1-SD 3.51Å; V859-M891 HydrophobicContact CG2-CB 4.18Å; V859-F976 HydrophobicContact CG1-CE1 4.41Å; V859-F976 HydrophobicContact CG1-CZ 4.04Å; V859-Q980 HydrophobicContact CG1-CG 4.26Å; V859-Q980 HydrophobicContact CG2-CG 4.09Å
860	N	89.7	Confident	90.3	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.053	7%	0.068	C	C	.	.	H	α-helix	trans	-54.2	-50.8	175	-79.1	45.5	0	0	0	111.9	V427 A428 Q856 V862 V864 M891	V427-N860 PolarHBondContact O-ND2 3.39Å; A428-N860 PolarHBondContact O-ND2 2.85Å; A428-N860 VanDerWaalsContact O-ND2 3.1Å; Q856-N860 PolarHBondContact O-N 3.49Å; Q856-N860 PolarHBondContact O-OD1 3.49Å; N860-V862 PolarHBondContact O-N 3.47Å; N860-V864 WeakPolarHBondContact O-CB 3.22Å; N860-V864 VanDerWaalsContact O-CG2 3.27Å; N860-V864 WeakPolarHBondContact O-CG2 3.44Å; N860-V864 PolarHBondContact O-N 2.94Å; N860-M891 WeakPolarHBondContact OD1-CE 3.39Å
861	V	92	Very high	89.9	Confident	51 Å²	51	12.7 Å²	12.7	31%	0.309	7%	0.068	S	C	.	.	H	α-helix	trans	-61.6	-45.7	-176.5	166	0	0	0	0	111.1	L857 T858 V859 I865 A933	L857-V861 WeakPolarHBondContact O-CB 3.19Å; L857-V861 WeakPolarHBondContact O-CG2 3.23Å; L857-V861 PolarHBondContact O-N 3.08Å; L857-V861 VanDerWaalsContact O-N 3.12Å; T858-V861 PolarHBondContact O-N 2.8Å; V859-V861 PolarHBondContact O-N 3.1Å; V861-I865 HydrophobicContact CG1-CD1 3.84Å; V861-I865 WeakPolarHBondContact O-CB 3.36Å; V861-I865 WeakPolarHBondContact O-CD1 3.34Å; V861-I865 WeakPolarHBondContact O-CG1 3.39Å; V861-I865 PolarHBondContact O-N 2.91Å; V861-A933 HydrophobicContact CG1-CB 4.07Å
862	V	93.8	Very high	89.5	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-70.2	-47.6	-179.7	-179.2	0	0	0	0	110.9	T858 V859 N860 V864 I865 V866 A933 Q936 L937 F976	T858-V862 WeakPolarHBondContact O-CG2 3.38Å; T858-V862 PolarHBondContact O-N 3.39Å; T858-V862 VanDerWaalsContact O-N 3.1Å; V859-V862 PolarHBondContact O-N 3.1Å; N860-V862 PolarHBondContact O-N 3.47Å; V862-V864 PolarHBondContact O-N 2.87Å; V862-I865 PolarHBondContact O-N 3.42Å; V862-V866 HydrophobicContact CG1-CG2 3.99Å; V862-V866 WeakPolarHBondContact O-CB 3.47Å; V862-V866 VanDerWaalsContact O-CG2 3.25Å; V862-V866 WeakPolarHBondContact O-CG2 3.33Å; V862-V866 PolarHBondContact O-N 3.41Å; V862-A933 VanDerWaalsContact CG2-CA 3.48Å; V862-A933 HydrophobicContact CG2-CB 3.59Å; V862-Q936 HydrophobicContact CG1-CB 3.88Å; V862-Q936 HydrophobicContact CG2-CB 4.06Å; V862-L937 HydrophobicContact CG1-CD2 3.97Å; V862-L937 HydrophobicContact CG1-CG 4.21Å; V862-L937 HydrophobicContact CG2-CG 4.4Å; V862-F976 HydrophobicContact CB-CE2 4.36Å; V862-F976 HydrophobicContact CG1-CD2 4.5Å; V862-F976 HydrophobicContact CG1-CE2 3.79Å
863	A	90.3	Very high	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-41.9	-177.1	0	0	0	0	0	112.6	V427 V859 A867 M884 F976	V427-A863 HydrophobicContact CG1-CB 3.59Å; V859-A863 WeakPolarHBondContact O-CB 3.35Å; V859-A863 PolarHBondContact O-N 2.9Å; A863-A867 VanDerWaalsContact O-CB 3.27Å; A863-A867 WeakPolarHBondContact O-CB 3.4Å; A863-A867 PolarHBondContact O-N 3.32Å; A863-M884 HydrophobicContact CB-CE 4.44Å; A863-F976 HydrophobicContact CB-CZ 4.16Å
864	V	89.8	Confident	88.4	Confident	19 Å²	19	18.3 Å²	18.3	12%	0.115	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-42.1	176.2	173	0	0	0	0	111.3	M378 A428 N860 V862 F868	M378-V864 HydrophobicContact CB-CG1 4.35Å; M378-V864 HydrophobicContact CG-CG1 4.45Å; A428-V864 HydrophobicContact CB-CG2 3.76Å; N860-V864 WeakPolarHBondContact O-CB 3.22Å; N860-V864 VanDerWaalsContact O-CG2 3.27Å; N860-V864 WeakPolarHBondContact O-CG2 3.44Å; N860-V864 PolarHBondContact O-N 2.94Å; V862-V864 PolarHBondContact O-N 2.87Å; V864-F868 WeakPolarHBondContact O-CB 3.43Å; V864-F868 PolarHBondContact O-N 3.4Å
865	I	91.7	Very high	87.6	Confident	61 Å²	61	21.3 Å²	21.3	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-69.1	-39.9	178.6	-67.9	169.7	0	0	0	111.4	V861 V862 T869 L937 F941	V861-I865 HydrophobicContact CG1-CD1 3.84Å; V861-I865 WeakPolarHBondContact O-CB 3.36Å; V861-I865 WeakPolarHBondContact O-CD1 3.34Å; V861-I865 WeakPolarHBondContact O-CG1 3.39Å; V861-I865 PolarHBondContact O-N 2.91Å; V862-I865 PolarHBondContact O-N 3.42Å; I865-T869 WeakPolarHBondContact O-CB 3.34Å; I865-T869 PolarHBondContact O-N 2.99Å; I865-T869 PolarHBondContact O-OG1 3.41Å; I865-L937 HydrophobicContact CB-CD1 4.43Å; I865-L937 HydrophobicContact CB-CD2 3.94Å; I865-L937 HydrophobicContact CD1-CD1 4.04Å; I865-L937 HydrophobicContact CG2-CD1 4.01Å; I865-L937 HydrophobicContact CG2-CD2 3.58Å; I865-L937 HydrophobicContact CG2-CG 4.47Å; I865-F941 HydrophobicContact CG2-CE2 4.47Å; I865-F941 HydrophobicContact CG2-CZ 4.14Å
866	V	90.3	Very high	86.6	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-48.5	175.9	167.6	0	0	0	0	110.9	V862 G870 P878 L879 L937 I940	V862-V866 HydrophobicContact CG1-CG2 3.99Å; V862-V866 WeakPolarHBondContact O-CB 3.47Å; V862-V866 VanDerWaalsContact O-CG2 3.25Å; V862-V866 WeakPolarHBondContact O-CG2 3.33Å; V862-V866 PolarHBondContact O-N 3.41Å; V866-G870 PolarHBondContact O-N 3.45Å; V866-P878 HydrophobicContact CG1-CG 3.74Å; V866-L879 HydrophobicContact CG1-CD1 4.45Å; V866-L937 HydrophobicContact CG2-CD2 3.75Å; V866-I940 HydrophobicContact CB-CG2 4.48Å; V866-I940 HydrophobicContact CG1-CG2 3.86Å; V866-I940 HydrophobicContact CG2-CB 4.24Å; V866-I940 HydrophobicContact CG2-CG2 3.7Å
867	A	85.3	Confident	86.1	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-42.9	179.8	0	0	0	0	0	112.1	V424 A863 A871 M884	V424-A867 HydrophobicContact CG2-CB 3.75Å; A863-A867 VanDerWaalsContact O-CB 3.27Å; A863-A867 WeakPolarHBondContact O-CB 3.4Å; A863-A867 PolarHBondContact O-N 3.32Å; A867-A871 WeakPolarHBondContact O-CB 3.46Å; A867-A871 PolarHBondContact O-N 3.4Å; A867-M884 HydrophobicContact CB-CE 4.14Å
868	F	86.6	Confident	85.6	Confident	54 Å²	54	21.7 Å²	21.7	24%	0.237	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-51.9	175.1	173.7	-104.8	0	0	0	112.1	M378 I381 I385 V864 A871 C872	M378-F868 HydrophobicContact CE-CB 4.05Å; M378-F868 HydrophobicContact CE-CD1 3.92Å; M378-F868 HydrophobicContact CE-CD2 3.57Å; M378-F868 HydrophobicContact CE-CE1 4.27Å; M378-F868 HydrophobicContact CE-CE2 3.95Å; M378-F868 HydrophobicContact CE-CG 3.55Å; M378-F868 HydrophobicContact CE-CZ 4.28Å; I381-F868 HydrophobicContact CG2-CE2 4.02Å; I385-F868 HydrophobicContact CD1-CE2 4.03Å; I385-F868 HydrophobicContact CD1-CZ 4.3Å; V864-F868 WeakPolarHBondContact O-CB 3.43Å; V864-F868 PolarHBondContact O-N 3.4Å; F868-A871 PolarHBondContact O-N 3.12Å; F868-C872 WeakPolarHBondContact O-CB 3.44Å; F868-C872 PolarHBondContact O-N 2.96Å; F868-C872 PolarHBondContact O-SG 3.18Å
869	T	87.4	Confident	85.2	Confident	31 Å²	31	21.9 Å²	21.9	19%	0.19	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-37.9	-176	-54.4	0	0	0	0	111.5	I865 I873 F941	I865-T869 WeakPolarHBondContact O-CB 3.34Å; I865-T869 PolarHBondContact O-N 2.99Å; I865-T869 PolarHBondContact O-OG1 3.41Å; T869-I873 HydrophobicContact CG2-CD1 3.76Å; T869-I873 WeakPolarHBondContact O-CG1 3.5Å; T869-I873 PolarHBondContact O-N 2.86Å; T869-F941 HydrophobicContact CG2-CD1 4.5Å; T869-F941 HydrophobicContact CG2-CE1 3.65Å; T869-F941 HydrophobicContact CG2-CE2 4.48Å; T869-F941 HydrophobicContact CG2-CZ 3.64Å
870	G	83	Confident	84.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-56.5	170.7	0	0	0	0	0	111.6	V866 C872 I873 T874 D876	V866-G870 PolarHBondContact O-N 3.45Å; G870-C872 PolarHBondContact O-N 3.36Å; G870-C872 VanDerWaalsContact O-N 3.15Å; G870-I873 PolarHBondContact O-N 3.45Å; G870-T874 PolarHBondContact O-N 3.01Å; G870-T874 PolarHBondContact O-OG1 3.18Å; G870-D876 CarbonylContact C-O 3.5Å; G870-D876 VanDerWaalsContact C-O 3.3Å
871	A	80.9	Confident	84	Confident	4 Å²	4	23.5 Å²	23.5	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-54.3	-38.1	178.5	0	0	0	0	0	113.3	T382 L386 I420 A867 F868 I873 D876	T382-A871 HydrophobicContact CG2-CB 3.68Å; L386-A871 HydrophobicContact CD1-CB 4.13Å; L386-A871 HydrophobicContact CD2-CB 4.08Å; L386-A871 VanDerWaalsContact CD2-O 3.3Å; L386-A871 WeakPolarHBondContact CD2-O 2.84Å; L386-A871 HydrophobicContact CG-CB 4.24Å; I420-A871 HydrophobicContact CG2-CB 4.47Å; A867-A871 WeakPolarHBondContact O-CB 3.46Å; A867-A871 PolarHBondContact O-N 3.4Å; F868-A871 PolarHBondContact O-N 3.12Å; A871-I873 VanDerWaalsContact C-N 3.34Å; A871-I873 PolarHBondContact O-N 2.98Å; A871-D876 PolarHBondContact N-O 3.27Å
872	C	82.1	Confident	83.5	Confident	34 Å²	34	21.4 Å²	21.4	23%	0.23	11%	0.113	C	C	.	.	H	α-helix	trans	-73.3	-16.7	178.5	-66.1	0	0	0	0	115	F868 G870	F868-C872 WeakPolarHBondContact O-CB 3.44Å; F868-C872 PolarHBondContact O-N 2.96Å; F868-C872 PolarHBondContact O-SG 3.18Å; G870-C872 PolarHBondContact O-N 3.36Å; G870-C872 VanDerWaalsContact O-N 3.15Å
873	I	83.5	Confident	83.2	Confident	93 Å²	93	21.6 Å²	21.6	48%	0.477	11%	0.114	S	C	.	.	H	α-helix	trans	-119.5	-37.2	-172.5	-61.4	173	0	0	0	112.5	T869 G870 A871 F945	T869-I873 HydrophobicContact CG2-CD1 3.76Å; T869-I873 WeakPolarHBondContact O-CG1 3.5Å; T869-I873 PolarHBondContact O-N 2.86Å; G870-I873 PolarHBondContact O-N 3.45Å; A871-I873 VanDerWaalsContact C-N 3.34Å; A871-I873 PolarHBondContact O-N 2.98Å; I873-F945 HydrophobicContact CB-CZ 4.48Å; I873-F945 HydrophobicContact CD1-CZ 3.89Å; I873-F945 HydrophobicContact CG2-CE1 3.74Å; I873-F945 HydrophobicContact CG2-CZ 4Å
874	T	75.4	Confident	82.8	Confident	5 Å²	5	21.7 Å²	21.7	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-111.6	14.1	-177	48.8	0	0	0	0	113.7	G870 D876 R957	G870-T874 PolarHBondContact O-N 3.01Å; G870-T874 PolarHBondContact O-OG1 3.18Å; T874-D876 PolarHBondContact O-N 3.19Å; T874-D876 PolarHBondContact OG1-O 2.96Å; T874-R957 HydrophobicContact CG2-CB 4.43Å; T874-R957 HydrophobicContact CG2-CG 4.18Å
875	Q	74.3	Confident	82.4	Confident	65 Å²	65	21.3 Å²	21.3	30%	0.304	11%	0.112	S	C	.	.	S	Bend	trans	56	4	-177.4	-61.6	-179.6	-23.6	0	0	115.9	L386 Y389 D393	L386-Q875 WeakPolarHBondContact CD2-O 3.21Å; Y389-Q875 HydrophobicContact CD1-CG 4.33Å; Y389-Q875 VanDerWaalsContact CD1-NE2 3.28Å; Y389-Q875 HydrophobicContact CE1-CG 4.31Å; D393-Q875 PolarHBondContact OD2-NE2 3.3Å
876	D	74.4	Confident	82.2	Confident	18 Å²	18	19.6 Å²	19.6	10%	0.096	10%	0.102	C	C	.	.	S	Bend	trans	-153.2	156.5	-172.4	-158.7	-18.7	0	0	0	108.9	K416 G870 A871 T874 K880	K416-D876 VanDerWaalsContact CE-OD2 3.22Å; K416-D876 WeakPolarHBondContact CE-OD2 3.21Å; K416-D876 IonicContact NZ-OD2 2.62Å; K416-D876 PolarHBondContact NZ-OD2 2.81Å; G870-D876 CarbonylContact C-O 3.5Å; G870-D876 VanDerWaalsContact C-O 3.3Å; A871-D876 PolarHBondContact N-O 3.27Å; T874-D876 PolarHBondContact O-N 3.19Å; T874-D876 PolarHBondContact OG1-O 2.96Å; D876-K880 IonicContact OD1-NZ 3.22Å; D876-K880 PolarHBondContact OD1-NZ 3.48Å; D876-K880 IonicContact OD2-NZ 3.42Å; D876-K880 PolarHBondContact OD2-NZ 3.21Å
877	S	80.2	Confident	82.1	Confident	6 Å²	6	19.8 Å²	19.8	4%	0.042	10%	0.103	C	C	.	.			trans	-81.9	134.4	174.9	176.2	0	0	0	0	110.1	L879	S877-L879 WeakPolarHBondContact CB-O 3.47Å; S877-L879 PolarHBondContact O-N 3.24Å; S877-L879 PolarHBondContact OG-N 3.44Å; S877-L879 PolarHBondContact OG-O 2.71Å
878	P	81.4	Confident	82	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-69.8	-11.8	174	31	-36.8	0	0	0	112.9	V866 L944 Y969	V866-P878 HydrophobicContact CG1-CG 3.74Å; P878-L944 HydrophobicContact CB-CD1 3.9Å; P878-L944 HydrophobicContact CG-CD1 4.48Å; P878-L944 HydrophobicContact CG-CD2 4.45Å; P878-Y969 HydrophobicContact CB-CE1 4.48Å
879	L	84.6	Confident	81.8	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	-114.4	122	171	-60	176.7	0	0	0	109.1	V866 S877 M884 F973 F976	V866-L879 HydrophobicContact CG1-CD1 4.45Å; S877-L879 WeakPolarHBondContact CB-O 3.47Å; S877-L879 PolarHBondContact O-N 3.24Å; S877-L879 PolarHBondContact OG-N 3.44Å; S877-L879 PolarHBondContact OG-O 2.71Å; L879-M884 HydrophobicContact CB-CG 3.85Å; L879-M884 HydrophobicContact CB-SD 3.67Å; L879-M884 HydrophobicContact CD1-SD 3.71Å; L879-M884 HydrophobicContact CG-SD 4.35Å; L879-F973 HydrophobicContact CD2-CB 4Å; L879-F973 HydrophobicContact CD2-CD2 4.27Å; L879-F976 HydrophobicContact CD1-CD1 4.35Å; L879-F976 HydrophobicContact CD1-CE1 4.49Å
880	K	81	Confident	81.8	Confident	38 Å²	38	17.5 Å²	17.5	17%	0.165	9%	0.091	C	C	.	.			trans	-80.8	160.8	-177.2	-63.4	-63.8	179.5	179.2	0	112.4	D876 V882 Q883 M884	D876-K880 IonicContact OD1-NZ 3.22Å; D876-K880 PolarHBondContact OD1-NZ 3.48Å; D876-K880 IonicContact OD2-NZ 3.42Å; D876-K880 PolarHBondContact OD2-NZ 3.21Å; K880-V882 VanDerWaalsContact C-N 3.33Å; K880-V882 PolarHBondContact O-N 3.13Å; K880-Q883 HydrophobicContact CB-CG 4.43Å; K880-Q883 WeakPolarHBondContact O-CB 3.38Å; K880-Q883 PolarHBondContact O-N 2.85Å; K880-M884 WeakPolarHBondContact O-CG 3.49Å; K880-M884 PolarHBondContact O-N 3.38Å
881	A	76.7	Confident	82	Confident	8 Å²	8	17.6 Å²	17.6	7%	0.066	9%	0.092	C	C	.	.	H	α-helix	trans	-54	-45.3	-173.8	0	0	0	0	0	113.2	I160 I419 Q883 M884 L885	I160-A881 HydrophobicContact CD1-CB 3.94Å; I160-A881 HydrophobicContact CG1-CB 4.07Å; I419-A881 HydrophobicContact CG2-CB 4.38Å; A881-Q883 PolarHBondContact O-N 3.06Å; A881-M884 PolarHBondContact O-N 3.37Å; A881-L885 WeakPolarHBondContact O-CG 3.42Å; A881-L885 PolarHBondContact O-N 2.92Å
882	V	81.3	Confident	82.1	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-41.5	177.2	179.5	0	0	0	0	112	A159 I160 K880 M884 L885 W886 F1028	A159-V882 HydrophobicContact CB-CG2 3.67Å; I160-V882 HydrophobicContact CG1-CG2 4.23Å; K880-V882 VanDerWaalsContact C-N 3.33Å; K880-V882 PolarHBondContact O-N 3.13Å; V882-M884 VanDerWaalsContact C-N 3.34Å; V882-M884 PolarHBondContact O-N 3.17Å; V882-L885 PolarHBondContact O-N 3.41Å; V882-W886 PolarHBondContact O-N 3.46Å; V882-F1028 HydrophobicContact CG1-CD1 3.71Å; V882-F1028 HydrophobicContact CG1-CE1 3.91Å; V882-F1028 HydrophobicContact CG1-CG 4.35Å
883	Q	86.9	Confident	82.1	Confident	3 Å²	3	16.6 Å²	16.6	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-65.3	-38.4	176.9	-63.8	167.5	-12.1	0	0	111.4	K880 A881 W886 V887 F973 F1028 S1029	K880-Q883 HydrophobicContact CB-CG 4.43Å; K880-Q883 WeakPolarHBondContact O-CB 3.38Å; K880-Q883 PolarHBondContact O-N 2.85Å; A881-Q883 PolarHBondContact O-N 3.06Å; Q883-W886 PolarHBondContact O-N 3.12Å; Q883-V887 WeakPolarHBondContact O-CG2 3.49Å; Q883-V887 PolarHBondContact O-N 2.92Å; Q883-F973 HydrophobicContact CB-CD2 3.84Å; Q883-F973 HydrophobicContact CB-CE2 3.77Å; Q883-F973 HydrophobicContact CB-CZ 4.41Å; Q883-F973 HydrophobicContact CG-CD1 4.48Å; Q883-F973 HydrophobicContact CG-CD2 4.04Å; Q883-F973 HydrophobicContact CG-CE1 4.48Å; Q883-F973 HydrophobicContact CG-CE2 4.05Å; Q883-F973 HydrophobicContact CG-CG 4.27Å; Q883-F973 HydrophobicContact CG-CZ 4.27Å; Q883-F1028 WeakPolarHBondContact CG-O 3.2Å; Q883-F1028 PolarHBondContact NE2-O 2.99Å; Q883-S1029 PolarHBondContact NE2-O 3.48Å
884	M	82.8	Confident	82.3	Confident	3 Å²	3	14.5 Å²	14.5	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-68.9	-35.4	176.6	-71	-72.1	-96.1	0	0	112.5	T423 V427 A863 A867 L879 K880 A881 V882 V887 N888	T423-M884 HydrophobicContact CG2-CB 3.54Å; T423-M884 HydrophobicContact CG2-CE 4.35Å; T423-M884 HydrophobicContact CG2-CG 3.7Å; V427-M884 HydrophobicContact CB-CE 4.05Å; V427-M884 HydrophobicContact CG1-CE 4.14Å; V427-M884 HydrophobicContact CG2-CB 3.97Å; V427-M884 HydrophobicContact CG2-CE 3.82Å; V427-M884 HydrophobicContact CG2-SD 4.24Å; A863-M884 HydrophobicContact CB-CE 4.44Å; A867-M884 HydrophobicContact CB-CE 4.14Å; L879-M884 HydrophobicContact CB-CG 3.85Å; L879-M884 HydrophobicContact CB-SD 3.67Å; L879-M884 HydrophobicContact CD1-SD 3.71Å; L879-M884 HydrophobicContact CG-SD 4.35Å; K880-M884 WeakPolarHBondContact O-CG 3.49Å; K880-M884 PolarHBondContact O-N 3.38Å; A881-M884 PolarHBondContact O-N 3.37Å; V882-M884 VanDerWaalsContact C-N 3.34Å; V882-M884 PolarHBondContact O-N 3.17Å; M884-V887 PolarHBondContact O-N 3.43Å; M884-N888 WeakPolarHBondContact O-CB 3.18Å; M884-N888 PolarHBondContact O-N 3.46Å
885	L	80.6	Confident	82.9	Confident	11 Å²	11	14.2 Å²	14.2	6%	0.058	7%	0.07	C	C	.	.	H	α-helix	trans	-67.4	-38.4	171.4	-69.4	173	0	0	0	112.4	L114 V426 A881 V882 N888 L889	L114-L885 HydrophobicContact CD2-CD1 4.16Å; L114-L885 HydrophobicContact CD2-CD2 3.91Å; V426-L885 HydrophobicContact CG1-CD2 4.23Å; A881-L885 WeakPolarHBondContact O-CG 3.42Å; A881-L885 PolarHBondContact O-N 2.92Å; V882-L885 PolarHBondContact O-N 3.41Å; L885-N888 WeakPolarHBondContact O-CB 3.07Å; L885-N888 PolarHBondContact O-N 2.91Å; L885-L889 PolarHBondContact O-N 2.92Å
886	W	87.7	Confident	83.4	Confident	24 Å²	24	11.1 Å²	11.1	9%	0.091	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-44.1	172.5	169.7	-118.4	0	0	0	111.9	V882 Q883 N888 L889 I890 F894 F973 T1013 I1016 I1020	V882-W886 PolarHBondContact O-N 3.46Å; Q883-W886 PolarHBondContact O-N 3.12Å; W886-N888 VanDerWaalsContact C-N 3.33Å; W886-N888 PolarHBondContact O-N 2.91Å; W886-L889 HydrophobicContact CE3-CD2 4.21Å; W886-L889 HydrophobicContact CZ3-CD2 4.14Å; W886-L889 PolarHBondContact O-N 3.34Å; W886-I890 HydrophobicContact CD2-CD1 4.21Å; W886-I890 HydrophobicContact CD2-CG1 4.36Å; W886-I890 HydrophobicContact CH2-CG1 4.33Å; W886-I890 HydrophobicContact CZ2-CD1 3.81Å; W886-I890 HydrophobicContact CZ2-CG1 4.09Å; W886-I890 WeakPolarHBondContact O-CG1 3.25Å; W886-I890 PolarHBondContact O-N 3.01Å; W886-I890 VanDerWaalsContact O-N 3.1Å; W886-F894 HydrophobicContact CH2-CE2 4.44Å; W886-F894 HydrophobicContact CZ3-CE2 4.16Å; W886-F973 AromaticContact CD1-CE2 3.99Å; W886-F973 AromaticContact CD1-CZ 3.7Å; W886-T1013 HydrophobicContact CH2-CG2 4.35Å; W886-T1013 HydrophobicContact CZ2-CG2 4.04Å; W886-I1016 HydrophobicContact CH2-CB 3.9Å; W886-I1016 HydrophobicContact CH2-CD1 4.28Å; W886-I1016 HydrophobicContact CH2-CG2 3.36Å; W886-I1016 HydrophobicContact CZ2-CB 4.15Å; W886-I1016 HydrophobicContact CZ2-CG2 3.67Å; W886-I1016 HydrophobicContact CZ3-CG2 4.07Å; W886-I1020 HydrophobicContact CD2-CD1 3.72Å; W886-I1020 VanDerWaalsContact CE2-CD1 3.46Å; W886-I1020 HydrophobicContact CE3-CD1 4.24Å; W886-I1020 HydrophobicContact CG-CD1 4.12Å; W886-I1020 HydrophobicContact CH2-CD1 4.36Å; W886-I1020 HydrophobicContact CZ2-CD1 3.82Å
887	V	87.6	Confident	83.9	Confident	5 Å²	5	13 Å²	13	3%	0.03	7%	0.065	C	C	.	.	H	α-helix	trans	-56.1	-46	171.5	161.7	0	0	0	0	111.1	V859 Q883 M884 L889 I890 M891 F976 V977	V859-V887 HydrophobicContact CG1-CG1 4.15Å; Q883-V887 WeakPolarHBondContact O-CG2 3.49Å; Q883-V887 PolarHBondContact O-N 2.92Å; M884-V887 PolarHBondContact O-N 3.43Å; V887-L889 PolarHBondContact O-N 3.42Å; V887-I890 PolarHBondContact O-N 3.45Å; V887-M891 HydrophobicContact CG1-SD 3.64Å; V887-M891 WeakPolarHBondContact O-CG 3.24Å; V887-M891 PolarHBondContact O-N 3.14Å; V887-F976 HydrophobicContact CG1-CE1 3.84Å; V887-F976 HydrophobicContact CG2-CD1 4.05Å; V887-F976 HydrophobicContact CG2-CE1 3.86Å; V887-V977 HydrophobicContact CG2-CG2 4.29Å
888	N	82.8	Confident	84.3	Confident	9 Å²	9	12.7 Å²	12.7	5%	0.048	6%	0.063	C	C	.	.	H	α-helix	trans	-57.7	-45.1	176.6	-166.8	12.8	0	0	0	111.9	M884 L885 W886 I890 M891 D892	M884-N888 WeakPolarHBondContact O-CB 3.18Å; M884-N888 PolarHBondContact O-N 3.46Å; L885-N888 WeakPolarHBondContact O-CB 3.07Å; L885-N888 PolarHBondContact O-N 2.91Å; W886-N888 VanDerWaalsContact C-N 3.33Å; W886-N888 PolarHBondContact O-N 2.91Å; N888-I890 VanDerWaalsContact C-N 3.34Å; N888-I890 PolarHBondContact O-N 3.06Å; N888-M891 WeakPolarHBondContact O-CG 3.48Å; N888-M891 PolarHBondContact O-N 3.29Å; N888-D892 VanDerWaalsContact O-CB 3.24Å; N888-D892 WeakPolarHBondContact O-CB 3.19Å; N888-D892 PolarHBondContact O-N 3.08Å
889	L	83.3	Confident	84.7	Confident	22 Å²	22	12.7 Å²	12.7	12%	0.115	6%	0.063	C	C	.	.	I	π-helix	trans	-61.7	-39.7	178.3	-167.8	70.8	0	0	0	112.8	V170 L885 W886 V887 T893 F894	V170-L889 HydrophobicContact CB-CD1 4.23Å; V170-L889 HydrophobicContact CG1-CD1 4.11Å; L885-L889 PolarHBondContact O-N 2.92Å; W886-L889 HydrophobicContact CE3-CD2 4.21Å; W886-L889 HydrophobicContact CZ3-CD2 4.14Å; W886-L889 PolarHBondContact O-N 3.34Å; V887-L889 PolarHBondContact O-N 3.42Å; L889-T893 PolarHBondContact O-N 3.22Å; L889-F894 HydrophobicContact CD2-CE2 3.84Å; L889-F894 HydrophobicContact CD2-CZ 3.85Å; L889-F894 HydrophobicContact CG-CD2 4.36Å; L889-F894 HydrophobicContact CG-CE2 3.92Å; L889-F894 HydrophobicContact CG-CZ 4.05Å; L889-F894 PolarHBondContact O-N 3.19Å
890	I	87.6	Confident	84.8	Confident	7 Å²	7	12.5 Å²	12.5	4%	0.036	6%	0.062	C	C	.	.	I	π-helix	trans	-63.3	-57.9	174.1	-63.8	171.8	0	0	0	110.4	W886 V887 N888 A895 V977 T1013	W886-I890 HydrophobicContact CD2-CD1 4.21Å; W886-I890 HydrophobicContact CD2-CG1 4.36Å; W886-I890 HydrophobicContact CH2-CG1 4.33Å; W886-I890 HydrophobicContact CZ2-CD1 3.81Å; W886-I890 HydrophobicContact CZ2-CG1 4.09Å; W886-I890 WeakPolarHBondContact O-CG1 3.25Å; W886-I890 PolarHBondContact O-N 3.01Å; W886-I890 VanDerWaalsContact O-N 3.1Å; V887-I890 PolarHBondContact O-N 3.45Å; N888-I890 VanDerWaalsContact C-N 3.34Å; N888-I890 PolarHBondContact O-N 3.06Å; I890-A895 WeakPolarHBondContact O-CB 3.29Å; I890-A895 PolarHBondContact O-N 3.05Å; I890-V977 HydrophobicContact CD1-CG1 3.94Å; I890-T1013 HydrophobicContact CD1-CG2 3.52Å; I890-T1013 HydrophobicContact CG1-CG2 3.63Å; I890-T1013 HydrophobicContact CG2-CG2 4.19Å
891	M	86.4	Confident	85	Confident	3 Å²	3	10.8 Å²	10.8	2%	0.015	6%	0.055	C	C	.	.	I	π-helix	trans	-70.6	-36.1	-167.5	68	-164.5	-91	0	0	113	F852 F855 Q856 V859 N860 V887 N888	F852-M891 WeakPolarHBondContact CE2-O 3.37Å; F855-M891 HydrophobicContact CE1-CB 4.34Å; Q856-M891 VanDerWaalsContact OE1-C 3.27Å; Q856-M891 VanDerWaalsContact OE1-CE 3.25Å; Q856-M891 VanDerWaalsContact OE1-CG 3.23Å; Q856-M891 PolarHBondContact OE1-O 3.48Å; Q856-M891 VanDerWaalsContact OE1-O 3.14Å; V859-M891 HydrophobicContact CB-CB 4.21Å; V859-M891 HydrophobicContact CB-CE 3.77Å; V859-M891 HydrophobicContact CB-SD 4.15Å; V859-M891 HydrophobicContact CG1-CB 4.08Å; V859-M891 HydrophobicContact CG1-CE 3.72Å; V859-M891 HydrophobicContact CG1-CG 4.44Å; V859-M891 HydrophobicContact CG1-SD 3.51Å; V859-M891 VanDerWaalsContact CG1-SD 3.51Å; V859-M891 HydrophobicContact CG2-CB 4.18Å; N860-M891 WeakPolarHBondContact OD1-CE 3.39Å; V887-M891 HydrophobicContact CG1-SD 3.64Å; V887-M891 WeakPolarHBondContact O-CG 3.24Å; V887-M891 PolarHBondContact O-N 3.14Å; N888-M891 WeakPolarHBondContact O-CG 3.48Å; N888-M891 PolarHBondContact O-N 3.29Å
892	D	82.9	Confident	85.4	Confident	8 Å²	8	11.1 Å²	11.1	4%	0.043	6%	0.055	C	C	.	.	I	π-helix	trans	-96.9	-61.3	-172.4	-167.2	71.4	0	0	0	111.9	G432 Q856 N888 S896	G432-D892 VanDerWaalsContact CA-CG 3.5Å; G432-D892 WeakPolarHBondContact CA-OD1 3.4Å; G432-D892 WeakPolarHBondContact CA-OD2 3.25Å; G432-D892 VanDerWaalsContact N-CG 3.25Å; G432-D892 PolarHBondContact N-OD1 2.85Å; G432-D892 PolarHBondContact N-OD2 3.21Å; Q856-D892 VanDerWaalsContact NE2-CB 3.34Å; Q856-D892 PolarHBondContact NE2-OD1 2.93Å; N888-D892 VanDerWaalsContact O-CB 3.24Å; N888-D892 WeakPolarHBondContact O-CB 3.19Å; N888-D892 PolarHBondContact O-N 3.08Å; D892-S896 WeakPolarHBondContact O-CB 3.4Å; D892-S896 PolarHBondContact O-N 3.13Å; D892-S896 PolarHBondContact O-OG 3.32Å
893	T	82.8	Confident	85.7	Confident	9 Å²	9	13.3 Å²	13.3	6%	0.055	7%	0.069	C	C	.	.	I	π-helix	trans	-80.6	-45.8	-174.6	-72.8	0	0	0	0	113.4	V170 L889 S896 L897	V170-T893 HydrophobicContact CG1-CG2 3.85Å; L889-T893 PolarHBondContact O-N 3.22Å; T893-S896 PolarHBondContact O-OG 3Å; T893-S896 VanDerWaalsContact O-OG 3.11Å; T893-L897 PolarHBondContact O-N 3.25Å
894	F	87.6	Confident	85.8	Confident	48 Å²	48	14.6 Å²	14.6	21%	0.211	8%	0.078	C	C	.	.	I	π-helix	trans	-74.8	-48.4	-178.4	-66.6	-28.7	0	0	0	112.2	V170 W886 L889 S896 L897 A898 I1009	V170-F894 HydrophobicContact CG1-CE1 4.43Å; W886-F894 HydrophobicContact CH2-CE2 4.44Å; W886-F894 HydrophobicContact CZ3-CE2 4.16Å; L889-F894 HydrophobicContact CD2-CE2 3.84Å; L889-F894 HydrophobicContact CD2-CZ 3.85Å; L889-F894 HydrophobicContact CG-CD2 4.36Å; L889-F894 HydrophobicContact CG-CE2 3.92Å; L889-F894 HydrophobicContact CG-CZ 4.05Å; L889-F894 PolarHBondContact O-N 3.19Å; F894-S896 PolarHBondContact O-N 2.91Å; F894-L897 PolarHBondContact O-N 3.5Å; F894-L897 VanDerWaalsContact O-N 3.17Å; F894-A898 WeakPolarHBondContact O-CB 3.47Å; F894-A898 PolarHBondContact O-N 3.36Å; F894-I1009 HydrophobicContact CB-CG2 3.87Å
895	A	87.4	Confident	86	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.5	-25.3	-179.6	0	0	0	0	0	113.7	F855 I890 A898 L899 E984	F855-A895 HydrophobicContact CD1-CB 3.45Å; F855-A895 VanDerWaalsContact CD1-CB 3.45Å; F855-A895 HydrophobicContact CE1-CB 3.31Å; F855-A895 HydrophobicContact CZ-CB 4.47Å; I890-A895 WeakPolarHBondContact O-CB 3.29Å; I890-A895 PolarHBondContact O-N 3.05Å; A895-A898 PolarHBondContact O-N 3.04Å; A895-L899 HydrophobicContact CB-CD1 4.43Å; A895-L899 VanDerWaalsContact O-CB 3.28Å; A895-L899 WeakPolarHBondContact O-CB 3.38Å; A895-L899 WeakPolarHBondContact O-CG 3.39Å; A895-L899 PolarHBondContact O-N 2.67Å; A895-E984 HydrophobicContact CB-CG 4.26Å
896	S	85.3	Confident	86.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-47.8	165.9	62.7	0	0	0	0	110.8	D892 T893 F894 A898 A900	D892-S896 WeakPolarHBondContact O-CB 3.4Å; D892-S896 PolarHBondContact O-N 3.13Å; D892-S896 PolarHBondContact O-OG 3.32Å; T893-S896 PolarHBondContact O-OG 3Å; T893-S896 VanDerWaalsContact O-OG 3.11Å; F894-S896 PolarHBondContact O-N 2.91Å; S896-A898 VanDerWaalsContact C-N 3.3Å; S896-A898 PolarHBondContact O-N 3.29Å; S896-A900 WeakPolarHBondContact O-CA 3.35Å; S896-A900 WeakPolarHBondContact O-CB 3.36Å; S896-A900 PolarHBondContact O-N 3.26Å
897	L	85.1	Confident	86.3	Confident	57 Å²	57	24.1 Å²	24.1	30%	0.298	13%	0.132	S	C	.	.	H	α-helix	trans	-62.6	-35.3	176.8	-177.5	60.2	0	0	0	112.8	I439 T893 F894 T901 I1005 I1009	I439-L897 HydrophobicContact CG2-CD1 4.02Å; T893-L897 PolarHBondContact O-N 3.25Å; F894-L897 PolarHBondContact O-N 3.5Å; F894-L897 VanDerWaalsContact O-N 3.17Å; L897-T901 HydrophobicContact CD1-CG2 4.16Å; L897-T901 WeakPolarHBondContact O-CB 3.26Å; L897-T901 WeakPolarHBondContact O-CG2 3.35Å; L897-T901 PolarHBondContact O-OG1 3.17Å; L897-I1005 HydrophobicContact CG-CG2 4.09Å; L897-I1009 HydrophobicContact CB-CD1 4.11Å; L897-I1009 HydrophobicContact CD2-CD1 4.1Å; L897-I1009 HydrophobicContact CG-CD1 4Å
898	A	89	Confident	86.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.3	-50.8	178.9	0	0	0	0	0	112.9	F894 A895 S896 T901 E984 N1003 F1006 I1009	F894-A898 WeakPolarHBondContact O-CB 3.47Å; F894-A898 PolarHBondContact O-N 3.36Å; A895-A898 PolarHBondContact O-N 3.04Å; S896-A898 VanDerWaalsContact C-N 3.3Å; S896-A898 PolarHBondContact O-N 3.29Å; A898-T901 PolarHBondContact O-OG1 3.11Å; A898-E984 WeakPolarHBondContact CB-OE1 3.48Å; A898-N1003 PolarHBondContact O-ND2 2.93Å; A898-N1003 VanDerWaalsContact O-ND2 3.14Å; A898-F1006 HydrophobicContact CB-CD2 3.83Å; A898-I1009 HydrophobicContact CB-CB 4.26Å; A898-I1009 HydrophobicContact CB-CD1 3.87Å; A898-I1009 HydrophobicContact CB-CG2 4.12Å
899	L	89.6	Confident	86.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-83.6	-28.8	-173.7	-63.9	170.9	0	0	0	113.1	K851 F852 F855 A895 T901 E984 A987 R988 F1006	K851-L899 HydrophobicContact CB-CB 4.47Å; F852-L899 HydrophobicContact CB-CB 4.26Å; F855-L899 HydrophobicContact CB-CD1 3.83Å; F855-L899 HydrophobicContact CD1-CD1 4.27Å; F855-L899 HydrophobicContact CG-CD1 4.23Å; A895-L899 HydrophobicContact CB-CD1 4.43Å; A895-L899 VanDerWaalsContact O-CB 3.28Å; A895-L899 WeakPolarHBondContact O-CB 3.38Å; A895-L899 WeakPolarHBondContact O-CG 3.39Å; A895-L899 PolarHBondContact O-N 2.67Å; L899-T901 VanDerWaalsContact C-N 3.27Å; L899-T901 PolarHBondContact O-N 2.89Å; L899-E984 HydrophobicContact CD1-CG 4.15Å; L899-E984 HydrophobicContact CD2-CG 4.39Å; L899-E984 HydrophobicContact CG-CG 4.33Å; L899-A987 HydrophobicContact CD1-CB 4.47Å; L899-R988 HydrophobicContact CD2-CG 3.91Å; L899-F1006 HydrophobicContact CD2-CD2 4.21Å; L899-F1006 HydrophobicContact CD2-CE2 3.81Å
900	A	85.6	Confident	87.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.3	179.4	0	0	0	0	0	114.5	I439 S440 S896	I439-A900 HydrophobicContact CG2-CB 4.49Å; S440-A900 PolarHBondContact OG-O 3.36Å; S896-A900 WeakPolarHBondContact O-CA 3.35Å; S896-A900 WeakPolarHBondContact O-CB 3.36Å; S896-A900 PolarHBondContact O-N 3.26Å
901	T	86.8	Confident	87.1	Confident	2 Å²	2	31 Å²	31	1%	0.012	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	11.4	-170.5	58.2	0	0	0	0	114.9	I439 Y443 L897 A898 L899 N1003 I1005	I439-T901 HydrophobicContact CG2-CG2 4.47Å; Y443-T901 HydrophobicContact CD1-CG2 4.15Å; Y443-T901 HydrophobicContact CD2-CG2 4.05Å; Y443-T901 HydrophobicContact CE1-CG2 4.41Å; Y443-T901 WeakPolarHBondContact CE1-O 3.24Å; Y443-T901 HydrophobicContact CE2-CG2 4.32Å; Y443-T901 HydrophobicContact CG-CG2 3.94Å; Y443-T901 PolarHBondContact OH-O 3.49Å; L897-T901 HydrophobicContact CD1-CG2 4.16Å; L897-T901 WeakPolarHBondContact O-CB 3.26Å; L897-T901 WeakPolarHBondContact O-CG2 3.35Å; L897-T901 PolarHBondContact O-OG1 3.17Å; A898-T901 PolarHBondContact O-OG1 3.11Å; L899-T901 VanDerWaalsContact C-N 3.27Å; L899-T901 PolarHBondContact O-N 2.89Å; T901-N1003 PolarHBondContact OG1-ND2 3.48Å; T901-N1003 VanDerWaalsContact OG1-ND2 3.11Å; T901-I1005 HydrophobicContact CG2-CD1 4.34Å
902	E	84.6	Confident	87.2	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.065	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-64.1	143.7	175.8	-70.3	-148.5	126	0	0	112.9	N844 K851 R988	N844-E902 PolarHBondContact ND2-O 2.96Å; K851-E902 IonicContact NZ-OE2 3.15Å; K851-E902 PolarHBondContact NZ-OE2 2.88Å; E902-R988 IonicContact OE1-CZ 2.79Å; E902-R988 IonicContact OE1-NE 2.7Å; E902-R988 PolarHBondContact OE1-NE 2.77Å; E902-R988 IonicContact OE1-NH2 2.89Å; E902-R988 PolarHBondContact OE1-NH2 3.17Å
903	P	86.9	Confident	87.3	Confident	53 Å²	53	39.8 Å²	39.8	34%	0.344	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-74.2	149.7	173	31.7	-34.4	0	0	0	112
904	P	89.5	Confident	87	Confident	31 Å²	31	40.4 Å²	40.4	20%	0.201	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-67.3	161.5	174.8	30.1	-37.4	0	0	0	112.5	M840 W841 N844 L908	M840-P904 HydrophobicContact CG-CB 3.89Å; M840-P904 HydrophobicContact SD-CB 3.9Å; M840-P904 HydrophobicContact SD-CG 4.31Å; W841-P904 HydrophobicContact CD2-CG 3.88Å; W841-P904 HydrophobicContact CE3-CG 4.21Å; W841-P904 HydrophobicContact CG-CG 4.38Å; W841-P904 HydrophobicContact CH2-CG 4.1Å; W841-P904 VanDerWaalsContact CZ2-CD 3.49Å; W841-P904 HydrophobicContact CZ2-CG 3.76Å; W841-P904 HydrophobicContact CZ3-CG 4.32Å; N844-P904 HydrophobicContact CB-CB 3.85Å; P904-L908 HydrophobicContact CB-CD1 3.94Å
905	N	86.1	Confident	86.4	Confident	67 Å²	67	38.6 Å²	38.6	36%	0.358	20%	0.201	S	C	.	.			trans	-133.2	160.1	172.6	70.2	42.9	0	0	0	111.9	S907 L908	N905-S907 PolarHBondContact O-N 3.15Å; N905-S907 WeakPolarHBondContact OD1-CA 3.42Å; N905-S907 WeakPolarHBondContact OD1-CB 3.4Å; N905-S907 PolarHBondContact OD1-N 3.47Å; N905-S907 PolarHBondContact OD1-OG 2.95Å; N905-L908 WeakPolarHBondContact O-CB 3.42Å; N905-L908 WeakPolarHBondContact O-CG 3.38Å; N905-L908 PolarHBondContact O-N 3.32Å; N905-L908 PolarHBondContact OD1-N 3.41Å
906	E	88.1	Confident	85.7	Confident	113 Å²	113	43.6 Å²	43.6	53%	0.528	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-66.7	-17.7	-179.8	-73.4	-153	139.4	0	0	113.8	K693 M840 L908 L909	K693-E906 IonicContact NZ-OE1 3.21Å; K693-E906 PolarHBondContact NZ-OE1 2.66Å; M840-E906 HydrophobicContact CE-CG 3.95Å; E906-L908 PolarHBondContact O-N 3.32Å; E906-L909 WeakPolarHBondContact O-CB 3.4Å; E906-L909 PolarHBondContact O-N 2.68Å
907	S	87.8	Confident	85.1	Confident	58 Å²	58	48 Å²	48	41%	0.406	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22.2	177.1	80.3	0	0	0	0	113	N905 L909 L910	N905-S907 PolarHBondContact O-N 3.15Å; N905-S907 WeakPolarHBondContact OD1-CA 3.42Å; N905-S907 WeakPolarHBondContact OD1-CB 3.4Å; N905-S907 PolarHBondContact OD1-N 3.47Å; N905-S907 PolarHBondContact OD1-OG 2.95Å; S907-L909 PolarHBondContact O-N 3Å; S907-L909 VanDerWaalsContact O-N 3.13Å; S907-L910 WeakPolarHBondContact O-CB 3.31Å; S907-L910 PolarHBondContact O-N 2.99Å
908	L	88.9	Confident	84.8	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.8	-23.2	169.8	-61	174.6	0	0	0	112.4	M840 R843 N844 D847 P904 N905 E906	M840-L908 HydrophobicContact CG-CB 4.35Å; M840-L908 HydrophobicContact CG-CD1 4.17Å; M840-L908 WeakPolarHBondContact O-CD1 3.2Å; R843-L908 HydrophobicContact CB-CB 4.23Å; R843-L908 HydrophobicContact CB-CD1 4.48Å; R843-L908 VanDerWaalsContact CD-O 3.27Å; R843-L908 WeakPolarHBondContact CD-O 3.38Å; R843-L908 PolarHBondContact NH1-O 3.24Å; N844-L908 HydrophobicContact CB-CD1 3.76Å; D847-L908 WeakPolarHBondContact OD2-CD2 3.19Å; P904-L908 HydrophobicContact CB-CD1 3.94Å; N905-L908 WeakPolarHBondContact O-CB 3.42Å; N905-L908 WeakPolarHBondContact O-CG 3.38Å; N905-L908 PolarHBondContact O-N 3.32Å; N905-L908 PolarHBondContact OD1-N 3.41Å; E906-L908 PolarHBondContact O-N 3.32Å
909	L	91.5	Very high	84.5	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.047	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-93.4	-0.9	177.6	-56.6	-177.6	0	0	0	113.9	A697 V836 V839 M840 E906 S907	A697-L909 VanDerWaalsContact CA-O 3.25Å; A697-L909 WeakPolarHBondContact CA-O 3.24Å; A697-L909 HydrophobicContact CB-CB 4.28Å; A697-L909 HydrophobicContact CB-CD2 4.29Å; A697-L909 WeakPolarHBondContact CB-O 3.19Å; A697-L909 PolarHBondContact N-O 2.92Å; V836-L909 HydrophobicContact CG1-CD1 3.73Å; V839-L909 HydrophobicContact CG1-CD2 3.9Å; M840-L909 HydrophobicContact CB-CD2 4.29Å; M840-L909 HydrophobicContact CE-CD1 3.7Å; M840-L909 HydrophobicContact CE-CG 4.3Å; M840-L909 HydrophobicContact CG-CD2 4.49Å; M840-L909 HydrophobicContact CG-CG 4.35Å; E906-L909 WeakPolarHBondContact O-CB 3.4Å; E906-L909 PolarHBondContact O-N 2.68Å; S907-L909 PolarHBondContact O-N 3Å; S907-L909 VanDerWaalsContact O-N 3.13Å
910	L	90.9	Very high	84.1	Confident	119 Å²	119	53.2 Å²	53.2	62%	0.623	27%	0.272	S	S	*	.	S	Bend	trans	-89.6	-9.1	176.6	-59.9	179.3	0	0	0	113.4	S907	S907-L910 WeakPolarHBondContact O-CB 3.31Å; S907-L910 PolarHBondContact O-N 2.99Å
911	R	86.9	Confident	84.1	Confident	53 Å²	53	55.1 Å²	55.1	20%	0.2	28%	0.282	C	S	.	.	S	Bend	trans	-109.5	161	178	66.1	-178.2	-166.7	-139.1	-0.2	111.7	A697 R843 D847 Y914 H991	A697-R911 CarbonylContact C-O 3.58Å; A697-R911 VanDerWaalsContact O-O 3.13Å; R843-R911 PolarHBondContact NH1-O 3.38Å; D847-R911 IonicContact OD1-CZ 3.84Å; D847-R911 IonicContact OD1-NH1 3.26Å; D847-R911 IonicContact OD1-NH2 2.64Å; D847-R911 PolarHBondContact OD1-NH2 2.71Å; D847-R911 IonicContact OD2-CZ 3.65Å; D847-R911 VanDerWaalsContact OD2-CZ 3.29Å; D847-R911 IonicContact OD2-NH1 2.66Å; D847-R911 PolarHBondContact OD2-NH1 2.64Å; D847-R911 IonicContact OD2-NH2 2.66Å; D847-R911 PolarHBondContact OD2-NH2 3.22Å; R911-Y914 PolarHBondContact NH1-OH 3Å; R911-Y914 PolarHBondContact NH2-OH 3.45Å; R911-Y914 VanDerWaalsContact NH2-OH 3.1Å; R911-H991 PolarHBondContact NH1-NE2 3.3Å
912	K	87.5	Confident	84.1	Confident	170 Å²	170	56.4 Å²	56.4	74%	0.739	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-67.4	157.8	169	-69.2	-172.5	178.1	-174.1	0	111.1
913	P	84.9	Confident	84	Confident	27 Å²	27	60.9 Å²	60.9	18%	0.175	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.1	163.5	171.3	25.9	-34.6	0	0	0	112	N466 T468 A697	N466-P913 WeakPolarHBondContact O-CB 3.25Å; T468-P913 HydrophobicContact CG2-CG 3.95Å; A697-P913 WeakPolarHBondContact O-CD 3.48Å
914	Y	77.8	Confident	84	Confident	21 Å²	21	60.4 Å²	60.4	8%	0.082	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-85.3	134.7	170.5	-55.8	-61.2	0	0	0	110.3	N466 Y846 D847 R911 K918 H991	N466-Y914 WeakPolarHBondContact CB-O 3.39Å; N466-Y914 WeakPolarHBondContact OD1-CB 3.37Å; N466-Y914 PolarHBondContact OD1-O 3.39Å; Y846-Y914 AromaticContact CD1-CD2 3.52Å; Y846-Y914 HydrophobicContact CD1-CD2 3.52Å; Y846-Y914 AromaticContact CD1-CE2 3.15Å; Y846-Y914 HydrophobicContact CD1-CE2 3.15Å; Y846-Y914 HydrophobicContact CD1-CG 4.48Å; Y846-Y914 AromaticContact CD1-CZ 3.88Å; Y846-Y914 HydrophobicContact CD2-CD2 4.47Å; Y846-Y914 AromaticContact CE1-CD2 3.7Å; Y846-Y914 HydrophobicContact CE1-CD2 3.7Å; Y846-Y914 HydrophobicContact CE1-CE1 4.45Å; Y846-Y914 AromaticContact CE1-CE2 3.51Å; Y846-Y914 HydrophobicContact CE1-CE2 3.51Å; Y846-Y914 HydrophobicContact CE1-CG 4.24Å; Y846-Y914 AromaticContact CE1-CZ 3.87Å; Y846-Y914 AromaticContact CG-CD2 3.93Å; Y846-Y914 HydrophobicContact CG-CD2 3.93Å; Y846-Y914 AromaticContact CG-CE2 3.91Å; Y846-Y914 HydrophobicContact CG-CE2 3.91Å; D847-Y914 WeakPolarHBondContact OD1-CE2 3.35Å; D847-Y914 PolarHBondContact OD1-OH 2.91Å; R911-Y914 PolarHBondContact NH1-OH 3Å; R911-Y914 PolarHBondContact NH2-OH 3.45Å; R911-Y914 VanDerWaalsContact NH2-OH 3.1Å; Y914-K918 HydrophobicContact CD1-CD 3.99Å; Y914-K918 VanDerWaalsContact CD1-NZ 3.28Å; Y914-K918 VanDerWaalsContact CE1-NZ 3.3Å; Y914-H991 PolarHBondContact OH-NE2 2.96Å
915	G	73.8	Confident	84	Confident	11 Å²	11	59 Å²	59	11%	0.113	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.2	144	173.6	0	0	0	0	0	112.4	D917 K918	G915-D917 PolarHBondContact O-N 3Å; G915-K918 VanDerWaalsContact O-CB 3.3Å; G915-K918 WeakPolarHBondContact O-CB 3.27Å; G915-K918 PolarHBondContact O-N 3.18Å
916	R	72.7	Confident	84.2	Confident	105 Å²	105	58 Å²	58	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.4	179.8	-171.2	174.3	174.3	134.2	-3.2	112.3	V359 K363	V359-R916 HydrophobicContact CG1-CG 4.08Å; K363-R916 WeakPolarHBondContact CE-O 3.34Å; K363-R916 PolarHBondContact NZ-O 3.25Å
917	D	73.1	Confident	84.3	Confident	93 Å²	93	53.5 Å²	53.5	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.7	-172.9	-32.3	-53.8	0	0	0	113.2	G915	G915-D917 PolarHBondContact O-N 3Å
918	K	78.6	Confident	84.5	Confident	80 Å²	80	51.4 Å²	51.4	35%	0.348	25%	0.251	S	S	.	.	S	Bend	trans	-62.1	133.1	-179.1	-169.8	-174.5	173.9	-166.2	0	110.3	K363 Y914 G915	K363-K918 PolarHBondContact NZ-O 3.23Å; Y914-K918 HydrophobicContact CD1-CD 3.99Å; Y914-K918 VanDerWaalsContact CD1-NZ 3.28Å; Y914-K918 VanDerWaalsContact CE1-NZ 3.3Å; G915-K918 VanDerWaalsContact O-CB 3.3Å; G915-K918 WeakPolarHBondContact O-CB 3.27Å; G915-K918 PolarHBondContact O-N 3.18Å
919	P	82.2	Confident	84.7	Confident	70 Å²	70	51.5 Å²	51.5	46%	0.455	25%	0.251	S	S	.	.			trans	-61.9	142.6	175.4	25.8	-34.7	0	0	0	110.6
920	L	81.6	Confident	84.7	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	-69.2	-44.2	-177.2	-178.2	53.9	0	0	0	111.7	L360 L364 Y846 L853 S922	L360-L920 HydrophobicContact CD1-CD1 3.48Å; L360-L920 VanDerWaalsContact CD1-CD1 3.48Å; L360-L920 HydrophobicContact CD1-CD2 3.71Å; L360-L920 HydrophobicContact CD1-CG 4.22Å; L364-L920 HydrophobicContact CD2-CD2 3.64Å; L364-L920 HydrophobicContact CG-CD2 3.8Å; Y846-L920 HydrophobicContact CE2-CD1 3.97Å; L853-L920 HydrophobicContact CD1-CD1 4Å; L853-L920 HydrophobicContact CD1-CD2 3.66Å; L853-L920 HydrophobicContact CD1-CG 3.74Å; L920-S922 PolarHBondContact O-N 2.88Å
921	I	86.3	Confident	84.8	Confident	41 Å²	41	49.7 Å²	49.7	21%	0.21	25%	0.245	C	C	.	.	S	Bend	trans	-80	110.2	171.2	-54.4	173.4	0	0	0	108.4	L367 L857 M925 M926 I929	L367-I921 HydrophobicContact CD1-CD1 4.13Å; L367-I921 HydrophobicContact CD2-CD1 4.42Å; L857-I921 HydrophobicContact CD1-CD1 3.61Å; L857-I921 HydrophobicContact CD1-CG1 4.08Å; I921-M925 HydrophobicContact CB-SD 4.37Å; I921-M925 HydrophobicContact CG1-CE 4.26Å; I921-M925 HydrophobicContact CG2-CG 4.33Å; I921-M925 HydrophobicContact CG2-SD 4.14Å; I921-M926 HydrophobicContact CG2-CB 4.18Å; I921-M926 HydrophobicContact CG2-CE 3.99Å; I921-I929 HydrophobicContact CG2-CD1 4.47Å
922	S	85.5	Confident	85.2	Confident	29 Å²	29	47.4 Å²	47.4	20%	0.203	24%	0.237	C	C	.	.			trans	-83.3	160.6	178.6	72.5	0	0	0	0	112.3	L920 T924 M925 M926	L920-S922 PolarHBondContact O-N 2.88Å; S922-T924 VanDerWaalsContact C-N 3.26Å; S922-T924 PolarHBondContact O-N 3.25Å; S922-T924 PolarHBondContact OG-OG1 3.06Å; S922-M925 WeakPolarHBondContact O-CB 3.06Å; S922-M925 PolarHBondContact O-N 2.67Å; S922-M925 VanDerWaalsContact O-N 3.16Å; S922-M925 VanDerWaalsContact OG-CB 3.24Å; S922-M925 WeakPolarHBondContact OG-CB 3.34Å; S922-M925 PolarHBondContact OG-N 3.42Å; S922-M926 PolarHBondContact O-N 2.83Å
923	R	84.1	Confident	85.6	Confident	107 Å²	107	39.4 Å²	39.4	40%	0.404	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-27.8	178.8	-63.6	-176.8	-170	150.7	6.8	113.7	K927 G1070 H1071	R923-K927 WeakPolarHBondContact O-CB 3.36Å; R923-K927 PolarHBondContact O-N 3.07Å; R923-G1070 PolarHBondContact NH2-O 3.35Å; R923-H1071 PolarHBondContact NH2-CE1 3.02Å; R923-H1071 PolarHBondContact NH2-NE2 3.25Å
924	T	86.9	Confident	86.1	Confident	43 Å²	43	42.2 Å²	42.2	26%	0.264	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-43.5	172.4	45.2	0	0	0	0	111.2	S922 K927 N928 I990 T1060	S922-T924 VanDerWaalsContact C-N 3.26Å; S922-T924 PolarHBondContact O-N 3.25Å; S922-T924 PolarHBondContact OG-OG1 3.06Å; T924-K927 WeakPolarHBondContact O-CB 3.4Å; T924-K927 PolarHBondContact O-N 3.43Å; T924-N928 PolarHBondContact O-N 3.19Å; T924-N928 PolarHBondContact O-OD1 3.2Å; T924-I990 PolarHBondContact OG1-O 3.12Å; T924-T1060 HydrophobicContact CG2-CG2 3.94Å
925	M	89.9	Confident	87	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175.6	-179.3	-174.9	174.4	0	0	112.2	L853 Q854 L857 I921 S922 K927 N928 I929	L853-M925 HydrophobicContact CB-CE 3.34Å; L853-M925 HydrophobicContact CD1-CE 4.46Å; Q854-M925 HydrophobicContact CB-CE 4.3Å; Q854-M925 HydrophobicContact CB-CG 4.03Å; Q854-M925 HydrophobicContact CG-CG 3.99Å; L857-M925 HydrophobicContact CD1-CE 4.34Å; I921-M925 HydrophobicContact CB-SD 4.37Å; I921-M925 HydrophobicContact CG1-CE 4.26Å; I921-M925 HydrophobicContact CG2-CG 4.33Å; I921-M925 HydrophobicContact CG2-SD 4.14Å; S922-M925 WeakPolarHBondContact O-CB 3.06Å; S922-M925 PolarHBondContact O-N 2.67Å; S922-M925 VanDerWaalsContact O-N 3.16Å; S922-M925 VanDerWaalsContact OG-CB 3.24Å; S922-M925 WeakPolarHBondContact OG-CB 3.34Å; S922-M925 PolarHBondContact OG-N 3.42Å; M925-K927 PolarHBondContact O-N 3.27Å; M925-N928 WeakPolarHBondContact O-CB 3.5Å; M925-N928 PolarHBondContact O-N 2.99Å; M925-N928 VanDerWaalsContact O-N 3.14Å; M925-I929 HydrophobicContact CE-CD1 4.37Å; M925-I929 HydrophobicContact CG-CD1 3.98Å; M925-I929 WeakPolarHBondContact O-CG1 3.32Å; M925-I929 PolarHBondContact O-N 2.83Å
926	M	89.1	Confident	88	Confident	46 Å²	46	42.4 Å²	42.4	23%	0.227	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-40.4	174.2	-174.6	64	83.7	0	0	112.1	I921 S922 N928 L930 L1066	I921-M926 HydrophobicContact CG2-CB 4.18Å; I921-M926 HydrophobicContact CG2-CE 3.99Å; S922-M926 PolarHBondContact O-N 2.83Å; M926-N928 VanDerWaalsContact C-N 3.31Å; M926-N928 PolarHBondContact O-N 2.83Å; M926-L930 HydrophobicContact CG-CD1 3.96Å; M926-L930 WeakPolarHBondContact O-CB 3.24Å; M926-L930 WeakPolarHBondContact O-CG 3.27Å; M926-L930 PolarHBondContact O-N 3.43Å; M926-L930 HydrophobicContact SD-CD1 3.91Å; M926-L930 HydrophobicContact SD-CG 4.12Å; M926-L1066 HydrophobicContact CG-CD2 4.12Å
927	K	90.4	Very high	89.1	Confident	19 Å²	19	38.6 Å²	38.6	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-43.4	172.2	-178.4	-166	64.1	157.3	0	111.1	R923 T924 M925 G931 I1055 I1058 T1060 L1063 L1066	R923-K927 WeakPolarHBondContact O-CB 3.36Å; R923-K927 PolarHBondContact O-N 3.07Å; T924-K927 WeakPolarHBondContact O-CB 3.4Å; T924-K927 PolarHBondContact O-N 3.43Å; M925-K927 PolarHBondContact O-N 3.27Å; K927-G931 WeakPolarHBondContact O-CA 3.31Å; K927-G931 PolarHBondContact O-N 3.46Å; K927-I1055 HydrophobicContact CD-CG2 4.27Å; K927-I1055 HydrophobicContact CG-CG2 4.17Å; K927-I1055 PolarHBondContact NZ-O 3.01Å; K927-I1058 PolarHBondContact NZ-O 3Å; K927-T1060 HydrophobicContact CD-CG2 4.23Å; K927-L1063 HydrophobicContact CB-CD1 4.47Å; K927-L1063 HydrophobicContact CD-CD1 3.88Å; K927-L1063 HydrophobicContact CG-CD1 3.74Å; K927-L1066 HydrophobicContact CB-CD1 3.96Å
928	N	91.7	Very high	90.2	Very high	14 Å²	14	38.1 Å²	38.1	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-51.2	-180	-63.9	-7.5	0	0	0	111	Q854 T924 M925 M926 L930 G931 H932	Q854-N928 HydrophobicContact CG-CB 4.25Å; Q854-N928 PolarHBondContact OE1-ND2 3.4Å; T924-N928 PolarHBondContact O-N 3.19Å; T924-N928 PolarHBondContact O-OD1 3.2Å; M925-N928 WeakPolarHBondContact O-CB 3.5Å; M925-N928 PolarHBondContact O-N 2.99Å; M925-N928 VanDerWaalsContact O-N 3.14Å; M926-N928 VanDerWaalsContact C-N 3.31Å; M926-N928 PolarHBondContact O-N 2.83Å; N928-L930 PolarHBondContact O-N 2.94Å; N928-G931 PolarHBondContact O-N 3.14Å; N928-H932 PolarHBondContact O-CD2 3.15Å; N928-H932 PolarHBondContact O-N 3.06Å
929	I	92.8	Very high	91	Very high	6 Å²	6	36 Å²	36	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-52.5	-53.8	177.9	-68.6	161.3	0	0	0	110.9	Q854 L857 T858 I921 M925 A933	Q854-I929 HydrophobicContact CG-CG1 3.99Å; L857-I929 HydrophobicContact CB-CD1 3.92Å; L857-I929 HydrophobicContact CB-CG1 4.43Å; L857-I929 HydrophobicContact CD1-CD1 4.07Å; T858-I929 WeakPolarHBondContact OG1-CA 3.29Å; I921-I929 HydrophobicContact CG2-CD1 4.47Å; M925-I929 HydrophobicContact CE-CD1 4.37Å; M925-I929 HydrophobicContact CG-CD1 3.98Å; M925-I929 WeakPolarHBondContact O-CG1 3.32Å; M925-I929 PolarHBondContact O-N 2.83Å; I929-A933 WeakPolarHBondContact O-CB 3.46Å; I929-A933 PolarHBondContact O-N 2.64Å
930	L	92.6	Very high	91.5	Very high	73 Å²	73	32.7 Å²	32.7	38%	0.382	18%	0.175	S	C	.	.	H	α-helix	trans	-71	-33.7	-178	-64.3	173.5	0	0	0	112.6	M926 N928 V934 L1066	M926-L930 HydrophobicContact CG-CD1 3.96Å; M926-L930 WeakPolarHBondContact O-CB 3.24Å; M926-L930 WeakPolarHBondContact O-CG 3.27Å; M926-L930 PolarHBondContact O-N 3.43Å; M926-L930 HydrophobicContact SD-CD1 3.91Å; M926-L930 HydrophobicContact SD-CG 4.12Å; N928-L930 PolarHBondContact O-N 2.94Å; L930-V934 WeakPolarHBondContact O-CB 3.49Å; L930-V934 VanDerWaalsContact O-CG2 3.28Å; L930-V934 WeakPolarHBondContact O-CG2 3.24Å; L930-V934 PolarHBondContact O-N 3.34Å; L930-L1066 HydrophobicContact CD1-CD2 3.71Å
931	G	93.2	Very high	92.1	Very high	17 Å²	17	34.1 Å²	34.1	18%	0.175	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-41.6	178.4	0	0	0	0	0	113.3	K927 N928 Y935 W1051	K927-G931 WeakPolarHBondContact O-CA 3.31Å; K927-G931 PolarHBondContact O-N 3.46Å; N928-G931 PolarHBondContact O-N 3.14Å; G931-Y935 PolarHBondContact O-N 3.04Å; G931-W1051 PolarHBondContact O-NE1 3.33Å
932	H	95.3	Very high	92.4	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-43.5	173.1	-72.1	-63.6	0	0	0	110.9	T858 N928 V934 Y935 Q936 N986 E1048 G1052	T858-H932 HydrophobicContact CG2-CB 3.78Å; N928-H932 PolarHBondContact O-CD2 3.15Å; N928-H932 PolarHBondContact O-N 3.06Å; H932-V934 VanDerWaalsContact C-N 3.3Å; H932-V934 PolarHBondContact O-N 3.27Å; H932-Y935 WeakPolarHBondContact O-CB 3.46Å; H932-Y935 PolarHBondContact O-N 2.93Å; H932-Y935 VanDerWaalsContact O-N 3.07Å; H932-Q936 WeakPolarHBondContact O-CG 3.43Å; H932-Q936 PolarHBondContact O-N 3.36Å; H932-N986 PolarHBondContact CE1-ND2 2.88Å; H932-N986 VanDerWaalsContact CE1-ND2 3.31Å; H932-E1048 IonicContact CE1-OE1 2.76Å; H932-E1048 IonicContact CG-OE1 3.72Å; H932-E1048 IonicContact ND1-OE1 2.74Å; H932-E1048 PolarHBondContact ND1-OE1 3.18Å; H932-G1052 VanDerWaalsContact CE1-CA 3.49Å; H932-G1052 WeakPolarHBondContact CE1-CA 3.38Å
933	A	95.6	Very high	92.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-40.1	177.3	0	0	0	0	0	112.9	V861 V862 I929 Y935 Q936 L937	V861-A933 HydrophobicContact CG1-CB 4.07Å; V862-A933 VanDerWaalsContact CG2-CA 3.48Å; V862-A933 HydrophobicContact CG2-CB 3.59Å; I929-A933 WeakPolarHBondContact O-CB 3.46Å; I929-A933 PolarHBondContact O-N 2.64Å; A933-Y935 PolarHBondContact O-N 2.82Å; A933-Q936 PolarHBondContact O-N 3.1Å; A933-L937 VanDerWaalsContact O-CB 3.26Å; A933-L937 WeakPolarHBondContact O-CB 3.4Å; A933-L937 WeakPolarHBondContact O-CD1 3.41Å; A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 3.05Å
934	V	95.4	Very high	92.9	Very high	86 Å²	86	30.4 Å²	30.4	52%	0.521	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-40	175.1	166	0	0	0	0	112.3	L930 H932 T938	L930-V934 WeakPolarHBondContact O-CB 3.49Å; L930-V934 VanDerWaalsContact O-CG2 3.28Å; L930-V934 WeakPolarHBondContact O-CG2 3.24Å; L930-V934 PolarHBondContact O-N 3.34Å; H932-V934 VanDerWaalsContact C-N 3.3Å; H932-V934 PolarHBondContact O-N 3.27Å; V934-T938 WeakPolarHBondContact O-CB 3.34Å; V934-T938 PolarHBondContact O-N 2.98Å; V934-T938 PolarHBondContact O-OG1 3.48Å
935	Y	96.1	Very high	93	Very high	35 Å²	35	31.6 Å²	31.6	14%	0.137	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-53.8	175.8	175.1	-99.5	0	0	0	111.1	G931 H932 A933 L937 T938 I939 M979 V1044 G1047 E1048 W1051	G931-Y935 PolarHBondContact O-N 3.04Å; H932-Y935 WeakPolarHBondContact O-CB 3.46Å; H932-Y935 PolarHBondContact O-N 2.93Å; H932-Y935 VanDerWaalsContact O-N 3.07Å; A933-Y935 PolarHBondContact O-N 2.82Å; Y935-L937 PolarHBondContact O-N 2.54Å; Y935-T938 PolarHBondContact O-N 3.19Å; Y935-T938 VanDerWaalsContact O-N 3.13Å; Y935-I939 HydrophobicContact CD1-CG1 4.44Å; Y935-I939 HydrophobicContact CD2-CG1 4.48Å; Y935-I939 HydrophobicContact CE1-CG1 4.11Å; Y935-I939 HydrophobicContact CE2-CD1 4.38Å; Y935-I939 HydrophobicContact CE2-CG1 4.15Å; Y935-I939 WeakPolarHBondContact O-CG1 3.27Å; Y935-I939 PolarHBondContact O-N 2.85Å; Y935-M979 HydrophobicContact CD1-SD 4.21Å; Y935-M979 HydrophobicContact CE1-CG 4.49Å; Y935-M979 HydrophobicContact CE1-SD 3.81Å; Y935-V1044 PolarHBondContact OH-O 2.94Å; Y935-G1047 WeakPolarHBondContact OH-CA 3.38Å; Y935-E1048 WeakPolarHBondContact CD1-OE1 3.47Å; Y935-E1048 HydrophobicContact CE1-CB 4.18Å; Y935-W1051 VanDerWaalsContact CB-CD1 3.45Å; Y935-W1051 HydrophobicContact CD2-CB 4.15Å; Y935-W1051 HydrophobicContact CD2-CD2 4.03Å; Y935-W1051 HydrophobicContact CD2-CE3 4.49Å; Y935-W1051 AromaticContact CD2-CG 3.85Å; Y935-W1051 HydrophobicContact CD2-CG 3.85Å; Y935-W1051 HydrophobicContact CE2-CB 4.44Å; Y935-W1051 HydrophobicContact CG-CB 4.35Å; Y935-W1051 AromaticContact CG-CD1 3.89Å; Y935-W1051 HydrophobicContact CG-CG 4.01Å
936	Q	96	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-42	-178.3	-63.7	-174.3	-5.6	0	0	112.3	V862 H932 A933 I939 I940 M979 E1048	V862-Q936 HydrophobicContact CG1-CB 3.88Å; V862-Q936 HydrophobicContact CG2-CB 4.06Å; H932-Q936 WeakPolarHBondContact O-CG 3.43Å; H932-Q936 PolarHBondContact O-N 3.36Å; A933-Q936 PolarHBondContact O-N 3.1Å; Q936-I939 PolarHBondContact O-N 3.45Å; Q936-I940 WeakPolarHBondContact O-CB 3.13Å; Q936-I940 VanDerWaalsContact O-CG1 3.23Å; Q936-I940 WeakPolarHBondContact O-CG1 3.4Å; Q936-I940 PolarHBondContact O-N 3.31Å; Q936-M979 HydrophobicContact CB-CE 4.09Å; Q936-M979 HydrophobicContact CB-SD 4.42Å; Q936-M979 HydrophobicContact CG-CB 4.36Å; Q936-M979 HydrophobicContact CG-CE 4.12Å; Q936-M979 HydrophobicContact CG-SD 4.02Å; Q936-E1048 WeakPolarHBondContact CG-OE2 3.23Å; Q936-E1048 PolarHBondContact NE2-OE2 3.33Å
937	L	95.8	Very high	92.8	Very high	26 Å²	26	32.8 Å²	32.8	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-41	175.3	-71	170.2	0	0	0	112.2	V862 I865 V866 A933 Y935 F941	V862-L937 HydrophobicContact CG1-CD2 3.97Å; V862-L937 HydrophobicContact CG1-CG 4.21Å; V862-L937 HydrophobicContact CG2-CG 4.4Å; I865-L937 HydrophobicContact CB-CD1 4.43Å; I865-L937 HydrophobicContact CB-CD2 3.94Å; I865-L937 HydrophobicContact CD1-CD1 4.04Å; I865-L937 HydrophobicContact CG2-CD1 4.01Å; I865-L937 HydrophobicContact CG2-CD2 3.58Å; I865-L937 HydrophobicContact CG2-CG 4.47Å; V866-L937 HydrophobicContact CG2-CD2 3.75Å; A933-L937 VanDerWaalsContact O-CB 3.26Å; A933-L937 WeakPolarHBondContact O-CB 3.4Å; A933-L937 WeakPolarHBondContact O-CD1 3.41Å; A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 3.05Å; Y935-L937 PolarHBondContact O-N 2.54Å; L937-F941 HydrophobicContact CB-CD2 4.3Å; L937-F941 HydrophobicContact CB-CE2 4.13Å; L937-F941 HydrophobicContact CD2-CE2 3.84Å; L937-F941 HydrophobicContact CD2-CZ 3.97Å; L937-F941 WeakPolarHBondContact O-CB 3.28Å; L937-F941 WeakPolarHBondContact O-CD2 3.31Å; L937-F941 WeakPolarHBondContact O-CG 3.47Å; L937-F941 PolarHBondContact O-N 3.37Å
938	T	95.3	Very high	92.6	Very high	83 Å²	83	33.5 Å²	33.5	51%	0.509	19%	0.185	S	C	.	.	H	α-helix	trans	-61.9	-45.2	176.7	-57.2	0	0	0	0	110.9	V934 Y935 T942	V934-T938 WeakPolarHBondContact O-CB 3.34Å; V934-T938 PolarHBondContact O-N 2.98Å; V934-T938 PolarHBondContact O-OG1 3.48Å; Y935-T938 PolarHBondContact O-N 3.19Å; Y935-T938 VanDerWaalsContact O-N 3.13Å; T938-T942 VanDerWaalsContact O-CB 3.29Å; T938-T942 WeakPolarHBondContact O-CB 3.4Å; T938-T942 PolarHBondContact O-N 3.49Å; T938-T942 PolarHBondContact O-OG1 2.69Å
939	I	95.4	Very high	92.3	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.185	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-54.7	175.9	-69	-59	0	0	0	111.2	Y935 Q936 F941 T942 L943 T975 M979 V1044	Y935-I939 HydrophobicContact CD1-CG1 4.44Å; Y935-I939 HydrophobicContact CD2-CG1 4.48Å; Y935-I939 HydrophobicContact CE1-CG1 4.11Å; Y935-I939 HydrophobicContact CE2-CD1 4.38Å; Y935-I939 HydrophobicContact CE2-CG1 4.15Å; Y935-I939 WeakPolarHBondContact O-CG1 3.27Å; Y935-I939 PolarHBondContact O-N 2.85Å; Q936-I939 PolarHBondContact O-N 3.45Å; I939-F941 PolarHBondContact O-N 3.44Å; I939-T942 PolarHBondContact O-N 3.25Å; I939-T942 VanDerWaalsContact O-N 3.16Å; I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.41Å; I939-L943 PolarHBondContact O-N 3.48Å; I939-T975 HydrophobicContact CG2-CG2 4.01Å; I939-M979 HydrophobicContact CB-CE 4.32Å; I939-M979 HydrophobicContact CB-SD 4.06Å; I939-M979 HydrophobicContact CG1-SD 4.24Å; I939-M979 HydrophobicContact CG2-CE 3.9Å; I939-M979 HydrophobicContact CG2-SD 3.81Å; I939-V1044 HydrophobicContact CB-CG1 4.36Å; I939-V1044 HydrophobicContact CD1-CG1 3.84Å; I939-V1044 HydrophobicContact CG1-CG1 3.94Å; I939-V1044 HydrophobicContact CG2-CG1 3.5Å; I939-V1044 VanDerWaalsContact CG2-CG1 3.5Å
940	I	93.7	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-39	-174.2	-66.1	-66	0	0	0	111.5	V866 Q936 L943 L944 I972 F976 M979	V866-I940 HydrophobicContact CB-CG2 4.48Å; V866-I940 HydrophobicContact CG1-CG2 3.86Å; V866-I940 HydrophobicContact CG2-CB 4.24Å; V866-I940 HydrophobicContact CG2-CG2 3.7Å; Q936-I940 WeakPolarHBondContact O-CB 3.13Å; Q936-I940 VanDerWaalsContact O-CG1 3.23Å; Q936-I940 WeakPolarHBondContact O-CG1 3.4Å; Q936-I940 PolarHBondContact O-N 3.31Å; I940-L943 PolarHBondContact O-N 3.11Å; I940-L944 VanDerWaalsContact O-CB 3.24Å; I940-L944 WeakPolarHBondContact O-CB 3.14Å; I940-L944 PolarHBondContact O-N 2.98Å; I940-I972 HydrophobicContact CD1-CG2 4.05Å; I940-I972 HydrophobicContact CG2-CG2 4.1Å; I940-F976 HydrophobicContact CD1-CB 3.9Å; I940-F976 HydrophobicContact CD1-CD2 4.25Å; I940-F976 HydrophobicContact CG1-CD2 4.33Å; I940-M979 HydrophobicContact CD1-CE 3.83Å; I940-M979 HydrophobicContact CG1-CE 3.86Å
941	F	93.4	Very high	91.6	Very high	45 Å²	45	43.8 Å²	43.8	20%	0.197	23%	0.232	C	C	.	.	H	α-helix	trans	-73.2	-32.3	175.1	-64.2	-40.3	0	0	0	113.1	I865 T869 L937 I939 L944 F945	I865-F941 HydrophobicContact CG2-CE2 4.47Å; I865-F941 HydrophobicContact CG2-CZ 4.14Å; T869-F941 HydrophobicContact CG2-CD1 4.5Å; T869-F941 HydrophobicContact CG2-CE1 3.65Å; T869-F941 HydrophobicContact CG2-CE2 4.48Å; T869-F941 HydrophobicContact CG2-CZ 3.64Å; L937-F941 HydrophobicContact CB-CD2 4.3Å; L937-F941 HydrophobicContact CB-CE2 4.13Å; L937-F941 HydrophobicContact CD2-CE2 3.84Å; L937-F941 HydrophobicContact CD2-CZ 3.97Å; L937-F941 WeakPolarHBondContact O-CB 3.28Å; L937-F941 WeakPolarHBondContact O-CD2 3.31Å; L937-F941 WeakPolarHBondContact O-CG 3.47Å; L937-F941 PolarHBondContact O-N 3.37Å; I939-F941 PolarHBondContact O-N 3.44Å; F941-L944 HydrophobicContact CD1-CD2 4.29Å; F941-L944 PolarHBondContact O-N 3.08Å; F941-F945 HydrophobicContact CB-CD2 4.23Å; F941-F945 HydrophobicContact CB-CE2 4.22Å; F941-F945 HydrophobicContact CD1-CE2 4.21Å; F941-F945 HydrophobicContact CG-CE2 4.46Å; F941-F945 WeakPolarHBondContact O-CD2 3.35Å; F941-F945 PolarHBondContact O-N 2.9Å
942	T	93.1	Very high	91.2	Very high	78 Å²	78	50.5 Å²	50.5	48%	0.479	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-44.7	172	-58.5	0	0	0	0	110.6	T938 I939 V946 G947	T938-T942 VanDerWaalsContact O-CB 3.29Å; T938-T942 WeakPolarHBondContact O-CB 3.4Å; T938-T942 PolarHBondContact O-N 3.49Å; T938-T942 PolarHBondContact O-OG1 2.69Å; I939-T942 PolarHBondContact O-N 3.25Å; I939-T942 VanDerWaalsContact O-N 3.16Å; T942-V946 WeakPolarHBondContact O-CA 3.36Å; T942-V946 WeakPolarHBondContact O-CB 3.38Å; T942-V946 PolarHBondContact O-N 3.26Å; T942-G947 PolarHBondContact O-N 3.24Å
943	L	91.5	Very high	90.8	Very high	22 Å²	22	51.6 Å²	51.6	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-49.6	173.7	-67.4	173.6	0	0	0	111	I939 I940 F945 G947 F951 I971 I972 T975	I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.41Å; I939-L943 PolarHBondContact O-N 3.48Å; I940-L943 PolarHBondContact O-N 3.11Å; L943-F945 VanDerWaalsContact C-N 3.32Å; L943-F945 PolarHBondContact O-N 3.28Å; L943-G947 WeakPolarHBondContact O-CA 3.44Å; L943-G947 PolarHBondContact O-N 2.98Å; L943-F951 HydrophobicContact CD2-CE2 3.82Å; L943-I971 HydrophobicContact CD2-CG2 4.44Å; L943-I972 HydrophobicContact CB-CG1 3.91Å; L943-T975 HydrophobicContact CD1-CG2 3.92Å
944	L	88.9	Confident	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-36.1	-177.6	-176.6	61	0	0	0	114.4	P878 I940 F941 R957 H968 Y969 I972	P878-L944 HydrophobicContact CB-CD1 3.9Å; P878-L944 HydrophobicContact CG-CD1 4.48Å; P878-L944 HydrophobicContact CG-CD2 4.45Å; I940-L944 VanDerWaalsContact O-CB 3.24Å; I940-L944 WeakPolarHBondContact O-CB 3.14Å; I940-L944 PolarHBondContact O-N 2.98Å; F941-L944 HydrophobicContact CD1-CD2 4.29Å; F941-L944 PolarHBondContact O-N 3.08Å; L944-R957 WeakPolarHBondContact O-CD 3.36Å; L944-H968 PolarHBondContact O-NE2 3.24Å; L944-Y969 HydrophobicContact CD1-CE1 3.99Å; L944-I972 HydrophobicContact CB-CD1 4.12Å; L944-I972 HydrophobicContact CD1-CD1 3.9Å
945	F	88.6	Confident	89.5	Confident	68 Å²	68	56.8 Å²	56.8	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-104.4	-17.4	-174.8	-62.7	-56.9	0	0	0	115.1	I873 F941 L943	I873-F945 HydrophobicContact CB-CZ 4.48Å; I873-F945 HydrophobicContact CD1-CZ 3.89Å; I873-F945 HydrophobicContact CG2-CE1 3.74Å; I873-F945 HydrophobicContact CG2-CZ 4Å; F941-F945 HydrophobicContact CB-CD2 4.23Å; F941-F945 HydrophobicContact CB-CE2 4.22Å; F941-F945 HydrophobicContact CD1-CE2 4.21Å; F941-F945 HydrophobicContact CG-CE2 4.46Å; F941-F945 WeakPolarHBondContact O-CD2 3.35Å; F941-F945 PolarHBondContact O-N 2.9Å; L943-F945 VanDerWaalsContact C-N 3.32Å; L943-F945 PolarHBondContact O-N 3.28Å
946	V	89	Confident	88.5	Confident	71 Å²	71	55.3 Å²	55.3	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-133.7	-9.1	-173.9	-161.5	0	0	0	0	112.5	T942 E948 L949 F950	T942-V946 WeakPolarHBondContact O-CA 3.36Å; T942-V946 WeakPolarHBondContact O-CB 3.38Å; T942-V946 PolarHBondContact O-N 3.26Å; V946-E948 PolarHBondContact O-N 3.03Å; V946-L949 PolarHBondContact O-N 3.49Å; V946-L949 VanDerWaalsContact O-N 3.1Å; V946-F950 PolarHBondContact O-N 3.44Å
947	G	85.7	Confident	87.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-39.9	-176.9	0	0	0	0	0	113.9	T942 L943 L949 F950 F951	T942-G947 PolarHBondContact O-N 3.24Å; L943-G947 WeakPolarHBondContact O-CA 3.44Å; L943-G947 PolarHBondContact O-N 2.98Å; G947-L949 VanDerWaalsContact C-N 3.3Å; G947-L949 PolarHBondContact O-N 3.16Å; G947-F950 PolarHBondContact O-N 2.91Å; G947-F950 VanDerWaalsContact O-N 3.08Å; G947-F951 WeakPolarHBondContact O-CD2 3.34Å; G947-F951 PolarHBondContact O-N 3.05Å
948	E	84.7	Confident	86.5	Confident	35 Å²	35	63.6 Å²	63.6	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-51.8	-45	171.9	64.2	-164.7	-132.5	0	0	112.7	V946 D952 I953 S955 R957 H968	V946-E948 PolarHBondContact O-N 3.03Å; E948-D952 PolarHBondContact O-N 2.91Å; E948-I953 PolarHBondContact O-N 3.35Å; E948-S955 VanDerWaalsContact OE2-CB 3.24Å; E948-S955 WeakPolarHBondContact OE2-CB 3.48Å; E948-S955 PolarHBondContact OE2-OG 2.78Å; E948-R957 IonicContact OE1-CZ 2.71Å; E948-R957 IonicContact OE1-NE 2.89Å; E948-R957 IonicContact OE1-NH2 3.29Å; E948-R957 PolarHBondContact OE1-NH2 3.4Å; E948-R957 IonicContact OE2-CZ 3.89Å; E948-R957 IonicContact OE2-NE 2.69Å; E948-R957 PolarHBondContact OE2-NE 3Å; E948-R957 IonicContact OE2-NH2 3.62Å; E948-R957 PolarHBondContact OE2-NH2 2.93Å; E948-H968 IonicContact OE2-CE1 2.75Å; E948-H968 IonicContact OE2-NE2 3.06Å; E948-H968 PolarHBondContact OE2-NE2 3.07Å; E948-H968 VanDerWaalsContact OE2-NE2 3.15Å
949	L	85.5	Confident	85.2	Confident	141 Å²	141	61.5 Å²	61.5	74%	0.738	32%	0.323	S	S	*	.	H	α-helix	trans	-78.5	-20.9	178.4	-67.1	172.1	0	0	0	113.4	V946 G947	V946-L949 PolarHBondContact O-N 3.49Å; V946-L949 VanDerWaalsContact O-N 3.1Å; G947-L949 VanDerWaalsContact C-N 3.3Å; G947-L949 PolarHBondContact O-N 3.16Å
950	F	86.6	Confident	83.7	Confident	127 Å²	127	63.5 Å²	63.5	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-86.9	-32.7	-178.2	-171.9	-90	0	0	0	112.4	V946 G947 W1040	V946-F950 PolarHBondContact O-N 3.44Å; G947-F950 PolarHBondContact O-N 2.91Å; G947-F950 VanDerWaalsContact O-N 3.08Å; F950-W1040 HydrophobicContact CZ-CH2 4.48Å
951	F	85.4	Confident	82	Confident	40 Å²	40	65.2 Å²	65.2	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-104.5	-3.1	-179.2	-68.3	-70.4	0	0	0	114.3	L943 G947 I953 I971 W1040	L943-F951 HydrophobicContact CD2-CE2 3.82Å; G947-F951 WeakPolarHBondContact O-CD2 3.34Å; G947-F951 PolarHBondContact O-N 3.05Å; F951-I953 HydrophobicContact CB-CD1 3.9Å; F951-I953 HydrophobicContact CB-CG1 4.02Å; F951-I953 HydrophobicContact CB-CG2 4.19Å; F951-I971 HydrophobicContact CD2-CD1 4Å; F951-I971 HydrophobicContact CE2-CD1 4.39Å; F951-I971 HydrophobicContact CE2-CG2 4.08Å; F951-I971 HydrophobicContact CG-CD1 4.13Å; F951-W1040 HydrophobicContact CE1-CB 3.9Å; F951-W1040 AromaticContact CE1-CD1 3.72Å; F951-W1040 AromaticContact CE1-CG 3.78Å; F951-W1040 HydrophobicContact CE1-CG 3.78Å; F951-W1040 HydrophobicContact CZ-CB 3.98Å; F951-W1040 HydrophobicContact CZ-CG 4.21Å
952	D	84.1	Confident	80.4	Confident	159 Å²	159	66.8 Å²	66.8	85%	0.85	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	51.5	-176.3	-154.3	31.2	0	0	0	112.1	E948	E948-D952 PolarHBondContact O-N 2.91Å
953	I	86.3	Confident	79	Confident	27 Å²	27	65.3 Å²	65.3	14%	0.138	35%	0.348	C	S	.	.			trans	-129.4	151.5	-175.1	60.9	-179.3	0	0	0	112.6	E948 F951 E967 H968 I971	E948-I953 PolarHBondContact O-N 3.35Å; F951-I953 HydrophobicContact CB-CD1 3.9Å; F951-I953 HydrophobicContact CB-CG1 4.02Å; F951-I953 HydrophobicContact CB-CG2 4.19Å; I953-E967 HydrophobicContact CD1-CB 4.45Å; I953-H968 HydrophobicContact CD1-CB 4.04Å; I953-I971 HydrophobicContact CD1-CD1 3.61Å
954	D	82.8	Confident	77.9	Confident	149 Å²	149	68.7 Å²	68.7	80%	0.797	37%	0.371	S	S	*	.			trans	-60.3	135.9	178.1	-73.5	-47.2	0	0	0	113	G956	D954-G956 PolarHBondContact O-N 3.17Å
955	S	81.6	Confident	77.3	Confident	49 Å²	49	70.5 Å²	70.5	34%	0.343	38%	0.383	S	S	.	.			trans	-72.7	119.2	-177.8	-166.9	0	0	0	0	112.1	E948 R957 H968	E948-S955 VanDerWaalsContact OE2-CB 3.24Å; E948-S955 WeakPolarHBondContact OE2-CB 3.48Å; E948-S955 PolarHBondContact OE2-OG 2.78Å; S955-R957 PolarHBondContact O-N 3.14Å; S955-R957 WeakPolarHBondContact OG-CB 3.15Å; S955-R957 WeakPolarHBondContact OG-CG 3.17Å; S955-R957 PolarHBondContact OG-N 3.39Å; S955-R957 PolarHBondContact OG-NE 3.38Å; S955-H968 WeakPolarHBondContact CA-CE1 3.41Å; S955-H968 PolarHBondContact OG-CE1 3.42Å
956	G	75.6	Confident	77.1	Confident	4 Å²	4	68.6 Å²	68.6	4%	0.041	38%	0.378	C	S	.	.			trans	-68	-0.9	166.3	0	0	0	0	0	115.4	D954 S966 H968 Y969	D954-G956 PolarHBondContact O-N 3.17Å; G956-S966 WeakPolarHBondContact CA-OG 3.25Å; G956-S966 PolarHBondContact N-OG 2.93Å; G956-H968 VanDerWaalsContact CA-CE1 3.5Å; G956-H968 WeakPolarHBondContact CA-CE1 3.18Å; G956-H968 PolarHBondContact N-CE1 2.95Å; G956-Y969 VanDerWaalsContact O-CE2 3.24Å; G956-Y969 WeakPolarHBondContact O-CE2 3.14Å; G956-Y969 PolarHBondContact O-OH 3.26Å; G956-Y969 VanDerWaalsContact O-OH 3.12Å
957	R	79.3	Confident	77	Confident	81 Å²	81	69.1 Å²	69.1	31%	0.306	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	142.1	-176.8	-62.2	-170.5	-72.4	148	-1.1	111.4	T874 L944 E948 S955 A959 Y969	T874-R957 HydrophobicContact CG2-CB 4.43Å; T874-R957 HydrophobicContact CG2-CG 4.18Å; L944-R957 WeakPolarHBondContact O-CD 3.36Å; E948-R957 IonicContact OE1-CZ 2.71Å; E948-R957 IonicContact OE1-NE 2.89Å; E948-R957 IonicContact OE1-NH2 3.29Å; E948-R957 PolarHBondContact OE1-NH2 3.4Å; E948-R957 IonicContact OE2-CZ 3.89Å; E948-R957 IonicContact OE2-NE 2.69Å; E948-R957 PolarHBondContact OE2-NE 3Å; E948-R957 IonicContact OE2-NH2 3.62Å; E948-R957 PolarHBondContact OE2-NH2 2.93Å; S955-R957 PolarHBondContact O-N 3.14Å; S955-R957 WeakPolarHBondContact OG-CB 3.15Å; S955-R957 WeakPolarHBondContact OG-CG 3.17Å; S955-R957 PolarHBondContact OG-N 3.39Å; S955-R957 PolarHBondContact OG-NE 3.38Å; R957-A959 PolarHBondContact O-N 3.04Å; R957-A959 VanDerWaalsContact O-N 3.13Å; R957-Y969 HydrophobicContact CG-CE1 4.45Å
958	N	69.2	Low	77.2	Confident	119 Å²	119	69.1 Å²	69.1	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	21.9	-179.7	-51.8	-8.7	0	0	0	114.6
959	A	69.4	Low	77.4	Confident	39 Å²	39	68.5 Å²	68.5	32%	0.322	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-63.4	139.8	-178.2	0	0	0	0	0	111.9	R957 S963	R957-A959 PolarHBondContact O-N 3.04Å; R957-A959 VanDerWaalsContact O-N 3.13Å; A959-S963 WeakPolarHBondContact CB-OG 3.32Å
960	P	64.1	Low	77.7	Confident	79 Å²	79	61.8 Å²	61.8	51%	0.513	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-67.6	166.1	-175.1	27.4	-34.9	0	0	0	112.8	H962 S963	P960-H962 PolarHBondContact O-N 3.44Å; P960-S963 VanDerWaalsContact O-CB 3.25Å; P960-S963 WeakPolarHBondContact O-CB 3.47Å; P960-S963 PolarHBondContact O-N 2.8Å; P960-S963 VanDerWaalsContact O-N 3.14Å; P960-S963 PolarHBondContact O-OG 3.43Å
961	L	57.2	Low	78	Confident	36 Å²	36	55.9 Å²	55.9	19%	0.188	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	131.3	175.4	-164.5	67	0	0	0	110	Q412 Y413 K416 S963	Q412-L961 HydrophobicContact CG-CD2 4Å; Y413-L961 HydrophobicContact CE2-CD2 4.36Å; K416-L961 HydrophobicContact CD-CD1 3.88Å; L961-S963 VanDerWaalsContact C-N 3.34Å
962	H	58.9	Low	78.3	Confident	78 Å²	78	54 Å²	54	36%	0.361	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	10.4	-173.1	-45.9	-60.9	0	0	0	117.4	P960	P960-H962 PolarHBondContact O-N 3.44Å
963	S	64.7	Low	78.8	Confident	46 Å²	46	46.4 Å²	46.4	32%	0.322	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-53.2	147.9	171.8	48.2	0	0	0	0	114.1	A959 P960 L961	A959-S963 WeakPolarHBondContact CB-OG 3.32Å; P960-S963 VanDerWaalsContact O-CB 3.25Å; P960-S963 WeakPolarHBondContact O-CB 3.47Å; P960-S963 PolarHBondContact O-N 2.8Å; P960-S963 VanDerWaalsContact O-N 3.14Å; P960-S963 PolarHBondContact O-OG 3.43Å; L961-S963 VanDerWaalsContact C-N 3.34Å
964	P	67.4	Low	79.2	Confident	94 Å²	94	45.1 Å²	45.1	61%	0.61	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.9	177.1	27.2	-35.2	0	0	0	112.6	S966	P964-S966 PolarHBondContact O-N 3.43Å
965	P	77.3	Confident	79.8	Confident	38 Å²	38	38.2 Å²	38.2	25%	0.247	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-66	119.6	-178.3	27.2	-34.6	0	0	0	112	S1029	P965-S1029 VanDerWaalsContact CB-C 3.46Å
966	S	84.4	Confident	80.4	Confident	28 Å²	28	35.9 Å²	35.9	20%	0.196	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-78.8	140	-178.4	175	0	0	0	0	112.8	G956 P964 H968 Y969 T970 S1031	G956-S966 WeakPolarHBondContact CA-OG 3.25Å; G956-S966 PolarHBondContact N-OG 2.93Å; P964-S966 PolarHBondContact O-N 3.43Å; S966-H968 VanDerWaalsContact C-N 3.26Å; S966-H968 PolarHBondContact O-N 3.2Å; S966-H968 WeakPolarHBondContact OG-CB 3.44Å; S966-H968 PolarHBondContact OG-N 3.06Å; S966-Y969 PolarHBondContact O-N 3.18Å; S966-T970 PolarHBondContact O-N 3.43Å; S966-T970 VanDerWaalsContact O-N 3.12Å; S966-T970 PolarHBondContact O-OG1 3.43Å; S966-S1031 PolarHBondContact O-OG 2.73Å
967	E	86.8	Confident	81.3	Confident	81 Å²	81	35.8 Å²	35.8	38%	0.379	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-39.2	169.2	-70.8	-172.6	-147.9	0	0	111.8	I953 Y969 T970 I971 S1031 Q1037	I953-E967 HydrophobicContact CD1-CB 4.45Å; E967-Y969 PolarHBondContact O-N 3.41Å; E967-T970 CarbonylContact O-C 3.55Å; E967-T970 PolarHBondContact O-N 3.18Å; E967-I971 WeakPolarHBondContact O-CG1 3.36Å; E967-I971 PolarHBondContact O-N 3.43Å; E967-S1031 WeakPolarHBondContact CA-OG 3.4Å; E967-S1031 WeakPolarHBondContact CG-OG 3.47Å; E967-S1031 PolarHBondContact N-OG 2.93Å; E967-S1031 VanDerWaalsContact N-OG 3.14Å; E967-Q1037 PolarHBondContact OE2-NE2 2.91Å
968	H	89.4	Confident	82.1	Confident	2 Å²	2	32 Å²	32	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-49.7	-178.9	-177.4	-154.9	0	0	0	112	L944 E948 I953 S955 G956 S966 I971 I972	L944-H968 PolarHBondContact O-NE2 3.24Å; E948-H968 IonicContact OE2-CE1 2.75Å; E948-H968 IonicContact OE2-NE2 3.06Å; E948-H968 PolarHBondContact OE2-NE2 3.07Å; E948-H968 VanDerWaalsContact OE2-NE2 3.15Å; I953-H968 HydrophobicContact CD1-CB 4.04Å; S955-H968 WeakPolarHBondContact CA-CE1 3.41Å; S955-H968 PolarHBondContact OG-CE1 3.42Å; G956-H968 VanDerWaalsContact CA-CE1 3.5Å; G956-H968 WeakPolarHBondContact CA-CE1 3.18Å; G956-H968 PolarHBondContact N-CE1 2.95Å; S966-H968 VanDerWaalsContact C-N 3.26Å; S966-H968 PolarHBondContact O-N 3.2Å; S966-H968 WeakPolarHBondContact OG-CB 3.44Å; S966-H968 PolarHBondContact OG-N 3.06Å; H968-I971 PolarHBondContact O-N 3.23Å; H968-I972 WeakPolarHBondContact O-CG1 3.24Å; H968-I972 PolarHBondContact O-N 3.4Å
969	Y	88.7	Confident	83.4	Confident	22 Å²	22	26.3 Å²	26.3	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-73.1	-28.4	176.8	-71.1	-5.3	0	0	0	112.6	P878 L944 G956 R957 S966 E967 I972 F973	P878-Y969 HydrophobicContact CB-CE1 4.48Å; L944-Y969 HydrophobicContact CD1-CE1 3.99Å; G956-Y969 VanDerWaalsContact O-CE2 3.24Å; G956-Y969 WeakPolarHBondContact O-CE2 3.14Å; G956-Y969 PolarHBondContact O-OH 3.26Å; G956-Y969 VanDerWaalsContact O-OH 3.12Å; R957-Y969 HydrophobicContact CG-CE1 4.45Å; S966-Y969 PolarHBondContact O-N 3.18Å; E967-Y969 PolarHBondContact O-N 3.41Å; Y969-I972 HydrophobicContact CD1-CD1 4Å; Y969-I972 PolarHBondContact O-N 2.86Å; Y969-F973 WeakPolarHBondContact O-CB 3.4Å; Y969-F973 PolarHBondContact O-N 3.04Å
970	T	92	Very high	84.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-36.1	174.5	-50.8	0	0	0	0	112.1	S966 E967 N974 V1021 C1030 S1031 L1033	S966-T970 PolarHBondContact O-N 3.43Å; S966-T970 VanDerWaalsContact O-N 3.12Å; S966-T970 PolarHBondContact O-OG1 3.43Å; E967-T970 CarbonylContact O-C 3.55Å; E967-T970 PolarHBondContact O-N 3.18Å; T970-N974 VanDerWaalsContact O-CB 3.24Å; T970-N974 WeakPolarHBondContact O-CB 3.49Å; T970-N974 PolarHBondContact O-N 2.82Å; T970-V1021 HydrophobicContact CG2-CG1 3.81Å; T970-C1030 HydrophobicContact CG2-CB 3.93Å; T970-C1030 WeakPolarHBondContact OG1-CA 3.44Å; T970-S1031 WeakPolarHBondContact CG2-O 3.24Å; T970-S1031 PolarHBondContact OG1-N 3.45Å; T970-S1031 VanDerWaalsContact OG1-N 3.08Å; T970-S1031 PolarHBondContact OG1-OG 3.45Å; T970-L1033 HydrophobicContact CG2-CD1 4.23Å; T970-L1033 HydrophobicContact CG2-CD2 4.18Å; T970-L1033 HydrophobicContact CG2-CG 4.04Å
971	I	93.1	Very high	86	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-43.1	170.9	-67.8	173.1	0	0	0	110.9	L943 F951 I953 E967 H968 N974 T975 L1033 Q1037	L943-I971 HydrophobicContact CD2-CG2 4.44Å; F951-I971 HydrophobicContact CD2-CD1 4Å; F951-I971 HydrophobicContact CE2-CD1 4.39Å; F951-I971 HydrophobicContact CE2-CG2 4.08Å; F951-I971 HydrophobicContact CG-CD1 4.13Å; I953-I971 HydrophobicContact CD1-CD1 3.61Å; E967-I971 WeakPolarHBondContact O-CG1 3.36Å; E967-I971 PolarHBondContact O-N 3.43Å; H968-I971 PolarHBondContact O-N 3.23Å; I971-N974 PolarHBondContact O-N 3.16Å; I971-T975 VanDerWaalsContact O-CB 3.29Å; I971-T975 WeakPolarHBondContact O-CB 3.39Å; I971-T975 PolarHBondContact O-N 3.36Å; I971-T975 PolarHBondContact O-OG1 2.7Å; I971-L1033 HydrophobicContact CG1-CD1 4.19Å; I971-L1033 HydrophobicContact CG1-CD2 3.7Å; I971-Q1037 HydrophobicContact CD1-CB 4.28Å; I971-Q1037 HydrophobicContact CD1-CG 3.83Å; I971-Q1037 HydrophobicContact CG1-CB 4.4Å; I971-Q1037 HydrophobicContact CG1-CG 4.45Å
972	I	92.6	Very high	87.9	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-51.3	177.6	-66.3	171	0	0	0	110.7	I940 L943 L944 H968 Y969 N974 T975 F976	I940-I972 HydrophobicContact CD1-CG2 4.05Å; I940-I972 HydrophobicContact CG2-CG2 4.1Å; L943-I972 HydrophobicContact CB-CG1 3.91Å; L944-I972 HydrophobicContact CB-CD1 4.12Å; L944-I972 HydrophobicContact CD1-CD1 3.9Å; H968-I972 WeakPolarHBondContact O-CG1 3.24Å; H968-I972 PolarHBondContact O-N 3.4Å; Y969-I972 HydrophobicContact CD1-CD1 4Å; Y969-I972 PolarHBondContact O-N 2.86Å; I972-N974 PolarHBondContact O-N 3.31Å; I972-T975 PolarHBondContact O-N 3.27Å; I972-F976 WeakPolarHBondContact O-CB 3.47Å; I972-F976 PolarHBondContact O-N 2.86Å
973	F	93.2	Very high	89.5	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58	-47.5	176.6	164.9	-116.8	0	0	0	112	L879 Q883 W886 Y969 F976 V977 Q1017 I1020 V1021	L879-F973 HydrophobicContact CD2-CB 4Å; L879-F973 HydrophobicContact CD2-CD2 4.27Å; Q883-F973 HydrophobicContact CB-CD2 3.84Å; Q883-F973 HydrophobicContact CB-CE2 3.77Å; Q883-F973 HydrophobicContact CB-CZ 4.41Å; Q883-F973 HydrophobicContact CG-CD1 4.48Å; Q883-F973 HydrophobicContact CG-CD2 4.04Å; Q883-F973 HydrophobicContact CG-CE1 4.48Å; Q883-F973 HydrophobicContact CG-CE2 4.05Å; Q883-F973 HydrophobicContact CG-CG 4.27Å; Q883-F973 HydrophobicContact CG-CZ 4.27Å; W886-F973 AromaticContact CD1-CE2 3.99Å; W886-F973 AromaticContact CD1-CZ 3.7Å; Y969-F973 WeakPolarHBondContact O-CB 3.4Å; Y969-F973 PolarHBondContact O-N 3.04Å; F973-F976 WeakPolarHBondContact O-CB 3.35Å; F973-F976 PolarHBondContact O-N 3.3Å; F973-V977 HydrophobicContact CD2-CG2 4.12Å; F973-V977 HydrophobicContact CE2-CG2 3.7Å; F973-V977 HydrophobicContact CZ-CG2 4.21Å; F973-V977 WeakPolarHBondContact O-CG2 3.22Å; F973-V977 PolarHBondContact O-N 2.88Å; F973-Q1017 VanDerWaalsContact CE1-NE2 3.31Å; F973-I1020 HydrophobicContact CE1-CG2 4.15Å; F973-I1020 HydrophobicContact CZ-CG2 4.37Å; F973-V1021 HydrophobicContact CD1-CG2 4.38Å; F973-V1021 HydrophobicContact CE1-CG2 4.08Å
974	N	95.1	Very high	90.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.4	-41.9	-178.3	-162.7	32.3	0	0	0	112.1	T970 I971 I972 F976 V977 M978 Q1017 V1021 L1033 W1038	T970-N974 VanDerWaalsContact O-CB 3.24Å; T970-N974 WeakPolarHBondContact O-CB 3.49Å; T970-N974 PolarHBondContact O-N 2.82Å; I971-N974 PolarHBondContact O-N 3.16Å; I972-N974 PolarHBondContact O-N 3.31Å; N974-F976 VanDerWaalsContact C-N 3.31Å; N974-F976 PolarHBondContact O-N 2.73Å; N974-V977 PolarHBondContact O-N 3.11Å; N974-M978 WeakPolarHBondContact O-CB 3.38Å; N974-M978 VanDerWaalsContact O-CG 3.28Å; N974-M978 WeakPolarHBondContact O-CG 3.25Å; N974-M978 PolarHBondContact O-N 3.11Å; N974-Q1017 WeakPolarHBondContact OD1-CG 3.4Å; N974-Q1017 PolarHBondContact OD1-NE2 3.49Å; N974-Q1017 VanDerWaalsContact OD1-NE2 3.08Å; N974-V1021 HydrophobicContact CB-CG2 4.3Å; N974-L1033 HydrophobicContact CB-CD1 4.09Å; N974-W1038 VanDerWaalsContact ND2-CE3 3.28Å; N974-W1038 VanDerWaalsContact ND2-CH2 3.34Å; N974-W1038 WeakPolarHBondContact ND2-CH2 3.3Å; N974-W1038 WeakPolarHBondContact ND2-CZ3 3.48Å; N974-W1038 WeakPolarHBondContact OD1-CH2 3.32Å
975	T	95.3	Very high	92.2	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-62.1	-40.2	174.7	-53.2	0	0	0	0	111.2	I939 L943 I971 I972 M978 M979 C1041 V1044	I939-T975 HydrophobicContact CG2-CG2 4.01Å; L943-T975 HydrophobicContact CD1-CG2 3.92Å; I971-T975 VanDerWaalsContact O-CB 3.29Å; I971-T975 WeakPolarHBondContact O-CB 3.39Å; I971-T975 PolarHBondContact O-N 3.36Å; I971-T975 PolarHBondContact O-OG1 2.7Å; I972-T975 PolarHBondContact O-N 3.27Å; T975-M978 PolarHBondContact O-N 3.04Å; T975-M979 HydrophobicContact CG2-CE 4.22Å; T975-M979 HydrophobicContact CG2-CG 4.46Å; T975-M979 HydrophobicContact CG2-SD 4.43Å; T975-M979 WeakPolarHBondContact O-CG 3.32Å; T975-M979 PolarHBondContact O-N 3.13Å; T975-C1041 PolarHBondContact OG1-SG 3.42Å; T975-V1044 HydrophobicContact CG2-CB 4.07Å; T975-V1044 HydrophobicContact CG2-CG1 3.69Å
976	F	95	Very high	92.9	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-51	175.4	-177.1	-99.2	0	0	0	111.7	V859 V862 A863 L879 V887 I940 I972 F973 N974 M978 M979 Q980	V859-F976 HydrophobicContact CG1-CE1 4.41Å; V859-F976 HydrophobicContact CG1-CZ 4.04Å; V862-F976 HydrophobicContact CB-CE2 4.36Å; V862-F976 HydrophobicContact CG1-CD2 4.5Å; V862-F976 HydrophobicContact CG1-CE2 3.79Å; A863-F976 HydrophobicContact CB-CZ 4.16Å; L879-F976 HydrophobicContact CD1-CD1 4.35Å; L879-F976 HydrophobicContact CD1-CE1 4.49Å; V887-F976 HydrophobicContact CG1-CE1 3.84Å; V887-F976 HydrophobicContact CG2-CD1 4.05Å; V887-F976 HydrophobicContact CG2-CE1 3.86Å; I940-F976 HydrophobicContact CD1-CB 3.9Å; I940-F976 HydrophobicContact CD1-CD2 4.25Å; I940-F976 HydrophobicContact CG1-CD2 4.33Å; I972-F976 WeakPolarHBondContact O-CB 3.47Å; I972-F976 PolarHBondContact O-N 2.86Å; F973-F976 WeakPolarHBondContact O-CB 3.35Å; F973-F976 PolarHBondContact O-N 3.3Å; N974-F976 VanDerWaalsContact C-N 3.31Å; N974-F976 PolarHBondContact O-N 2.73Å; F976-M978 PolarHBondContact O-N 2.82Å; F976-M979 PolarHBondContact O-N 3.1Å; F976-Q980 HydrophobicContact CD1-CG 4.48Å; F976-Q980 HydrophobicContact CE1-CG 4.13Å; F976-Q980 HydrophobicContact CZ-CG 4.25Å; F976-Q980 VanDerWaalsContact CZ-NE2 3.27Å; F976-Q980 WeakPolarHBondContact O-CG 3.44Å; F976-Q980 PolarHBondContact O-N 3.04Å
977	V	94.9	Very high	93.3	Very high	2 Å²	2	9 Å²	9	1%	0.012	4%	0.042	C	C	.	.	H	α-helix	trans	-63.4	-41	178.2	176.5	0	0	0	0	111.8	V887 I890 F973 N974 Q980 L981 Q1017	V887-V977 HydrophobicContact CG2-CG2 4.29Å; I890-V977 HydrophobicContact CD1-CG1 3.94Å; F973-V977 HydrophobicContact CD2-CG2 4.12Å; F973-V977 HydrophobicContact CE2-CG2 3.7Å; F973-V977 HydrophobicContact CZ-CG2 4.21Å; F973-V977 WeakPolarHBondContact O-CG2 3.22Å; F973-V977 PolarHBondContact O-N 2.88Å; N974-V977 PolarHBondContact O-N 3.11Å; V977-Q980 PolarHBondContact O-N 2.94Å; V977-L981 HydrophobicContact CG1-CD1 4.3Å; V977-L981 PolarHBondContact O-N 3.37Å; V977-Q1017 HydrophobicContact CB-CG 4.36Å; V977-Q1017 HydrophobicContact CG1-CB 4.39Å; V977-Q1017 HydrophobicContact CG1-CG 3.88Å
978	M	95.6	Very high	93.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.8	-46.9	174.9	-70.2	-58.2	113.9	0	0	111.7	N974 T975 F976 Q980 L981 F982 F1014 Q1017 W1038 C1041 L1042	N974-M978 WeakPolarHBondContact O-CB 3.38Å; N974-M978 VanDerWaalsContact O-CG 3.28Å; N974-M978 WeakPolarHBondContact O-CG 3.25Å; N974-M978 PolarHBondContact O-N 3.11Å; T975-M978 PolarHBondContact O-N 3.04Å; F976-M978 PolarHBondContact O-N 2.82Å; M978-Q980 VanDerWaalsContact C-N 3.3Å; M978-Q980 PolarHBondContact O-N 3.45Å; M978-L981 HydrophobicContact CE-CD1 4.01Å; M978-L981 PolarHBondContact O-N 3.24Å; M978-F982 WeakPolarHBondContact O-CD2 3.49Å; M978-F982 PolarHBondContact O-N 3.27Å; M978-F1014 HydrophobicContact CE-CD2 3.84Å; M978-F1014 HydrophobicContact CE-CE2 4.09Å; M978-F1014 HydrophobicContact SD-CD2 3.8Å; M978-F1014 HydrophobicContact SD-CE2 3.67Å; M978-Q1017 HydrophobicContact CE-CB 4.24Å; M978-Q1017 HydrophobicContact CE-CG 3.65Å; M978-W1038 HydrophobicContact CE-CZ3 4.09Å; M978-C1041 HydrophobicContact CG-CB 4.41Å; M978-L1042 HydrophobicContact SD-CD1 4.39Å
979	M	96.1	Very high	93.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.1	-38.5	176.4	-72.8	-173.4	-57.5	0	0	111.9	Y935 Q936 I939 I940 T975 F976 F982 N983 V1044	Y935-M979 HydrophobicContact CD1-SD 4.21Å; Y935-M979 HydrophobicContact CE1-CG 4.49Å; Y935-M979 HydrophobicContact CE1-SD 3.81Å; Q936-M979 HydrophobicContact CB-CE 4.09Å; Q936-M979 HydrophobicContact CB-SD 4.42Å; Q936-M979 HydrophobicContact CG-CB 4.36Å; Q936-M979 HydrophobicContact CG-CE 4.12Å; Q936-M979 HydrophobicContact CG-SD 4.02Å; I939-M979 HydrophobicContact CB-CE 4.32Å; I939-M979 HydrophobicContact CB-SD 4.06Å; I939-M979 HydrophobicContact CG1-SD 4.24Å; I939-M979 HydrophobicContact CG2-CE 3.9Å; I939-M979 HydrophobicContact CG2-SD 3.81Å; I940-M979 HydrophobicContact CD1-CE 3.83Å; I940-M979 HydrophobicContact CG1-CE 3.86Å; T975-M979 HydrophobicContact CG2-CE 4.22Å; T975-M979 HydrophobicContact CG2-CG 4.46Å; T975-M979 HydrophobicContact CG2-SD 4.43Å; T975-M979 WeakPolarHBondContact O-CG 3.32Å; T975-M979 PolarHBondContact O-N 3.13Å; F976-M979 PolarHBondContact O-N 3.1Å; M979-F982 PolarHBondContact O-N 3.42Å; M979-N983 VanDerWaalsContact O-CB 3.23Å; M979-N983 WeakPolarHBondContact O-CB 3.4Å; M979-N983 PolarHBondContact O-N 3.43Å; M979-V1044 HydrophobicContact SD-CG1 4.19Å
980	Q	94.8	Very high	93.4	Very high	7 Å²	7	5.9 Å²	5.9	3%	0.033	3%	0.027	C	C	.	.	H	α-helix	trans	-67.4	-39.9	175.9	-54.4	-42.2	-15.5	0	0	113.1	F855 V859 F976 V977 M978 F982 N983 E984	F855-Q980 HydrophobicContact CE2-CB 4.17Å; F855-Q980 VanDerWaalsContact CE2-O 3.23Å; F855-Q980 WeakPolarHBondContact CE2-O 3.33Å; F855-Q980 HydrophobicContact CZ-CB 4.07Å; V859-Q980 HydrophobicContact CG1-CG 4.26Å; V859-Q980 HydrophobicContact CG2-CG 4.09Å; F976-Q980 HydrophobicContact CD1-CG 4.48Å; F976-Q980 HydrophobicContact CE1-CG 4.13Å; F976-Q980 HydrophobicContact CZ-CG 4.25Å; F976-Q980 VanDerWaalsContact CZ-NE2 3.27Å; F976-Q980 WeakPolarHBondContact O-CG 3.44Å; F976-Q980 PolarHBondContact O-N 3.04Å; V977-Q980 PolarHBondContact O-N 2.94Å; M978-Q980 VanDerWaalsContact C-N 3.3Å; M978-Q980 PolarHBondContact O-N 3.45Å; Q980-F982 VanDerWaalsContact C-N 3.26Å; Q980-F982 PolarHBondContact O-N 3.31Å; Q980-N983 PolarHBondContact O-N 2.94Å; Q980-N983 PolarHBondContact OE1-ND2 3.08Å; Q980-E984 PolarHBondContact O-N 2.72Å
981	L	94.4	Very high	92.9	Very high	6 Å²	6	10 Å²	10	3%	0.031	5%	0.047	C	C	.	.	H	α-helix	trans	-60.4	-35.8	176.3	-72.2	169.3	0	0	0	112.7	V977 M978 V1010 T1013 F1014	V977-L981 HydrophobicContact CG1-CD1 4.3Å; V977-L981 PolarHBondContact O-N 3.37Å; M978-L981 HydrophobicContact CE-CD1 4.01Å; M978-L981 PolarHBondContact O-N 3.24Å; L981-V1010 HydrophobicContact CD2-CG1 4.44Å; L981-T1013 HydrophobicContact CD2-CG2 3.8Å; L981-F1014 HydrophobicContact CD1-CB 4.13Å; L981-F1014 HydrophobicContact CD1-CD2 4.34Å
982	F	95.5	Very high	91.9	Very high	37 Å²	37	11.9 Å²	11.9	16%	0.162	7%	0.067	C	C	.	.	H	α-helix	trans	-80.1	-33.5	174.5	-68.5	-63.1	0	0	0	113.1	M978 M979 Q980 E984 I985 N986 L1042 G1045 V1046 E1048 L1049	M978-F982 WeakPolarHBondContact O-CD2 3.49Å; M978-F982 PolarHBondContact O-N 3.27Å; M979-F982 PolarHBondContact O-N 3.42Å; Q980-F982 VanDerWaalsContact C-N 3.26Å; Q980-F982 PolarHBondContact O-N 3.31Å; F982-E984 VanDerWaalsContact C-N 3.3Å; F982-E984 PolarHBondContact O-N 3.43Å; F982-I985 HydrophobicContact CD1-CD1 4.23Å; F982-I985 WeakPolarHBondContact O-CB 3.47Å; F982-I985 PolarHBondContact O-N 2.93Å; F982-N986 PolarHBondContact O-N 3.42Å; F982-L1042 HydrophobicContact CE2-CD1 4Å; F982-L1042 HydrophobicContact CZ-CD1 3.94Å; F982-G1045 WeakPolarHBondContact CB-O 3.34Å; F982-G1045 VanDerWaalsContact CD2-O 3.26Å; F982-G1045 WeakPolarHBondContact CD2-O 3.49Å; F982-V1046 HydrophobicContact CD2-CG2 4.49Å; F982-V1046 HydrophobicContact CE1-CG2 3.94Å; F982-V1046 HydrophobicContact CE2-CG2 3.84Å; F982-V1046 HydrophobicContact CZ-CG2 3.52Å; F982-E1048 HydrophobicContact CB-CB 4.17Å; F982-L1049 HydrophobicContact CB-CD2 3.94Å; F982-L1049 HydrophobicContact CB-CG 4Å; F982-L1049 HydrophobicContact CD1-CD1 3.73Å; F982-L1049 HydrophobicContact CD1-CD2 4.2Å; F982-L1049 HydrophobicContact CD1-CG 3.94Å; F982-L1049 HydrophobicContact CE1-CD1 4.29Å; F982-L1049 HydrophobicContact CG-CG 4.26Å; F982-L1049 VanDerWaalsContact O-CD2 3.27Å; F982-L1049 WeakPolarHBondContact O-CD2 3.49Å
983	N	94.4	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-34.4	171.3	-173.5	25.1	0	0	0	112	F855 T858 M979 Q980 I985 N986 A987 E1048	F855-N983 HydrophobicContact CD2-CB 4.42Å; F855-N983 HydrophobicContact CE2-CB 4.15Å; T858-N983 WeakPolarHBondContact CG2-ND2 3.47Å; M979-N983 VanDerWaalsContact O-CB 3.23Å; M979-N983 WeakPolarHBondContact O-CB 3.4Å; M979-N983 PolarHBondContact O-N 3.43Å; Q980-N983 PolarHBondContact O-N 2.94Å; Q980-N983 PolarHBondContact OE1-ND2 3.08Å; N983-I985 VanDerWaalsContact C-N 3.27Å; N983-I985 PolarHBondContact O-N 3.14Å; N983-N986 WeakPolarHBondContact O-CB 3.46Å; N983-N986 PolarHBondContact O-N 2.95Å; N983-N986 VanDerWaalsContact O-N 3.14Å; N983-A987 WeakPolarHBondContact O-CB 3.25Å; N983-A987 PolarHBondContact O-N 2.94Å; N983-E1048 HydrophobicContact CB-CG 4.02Å
984	E	94	Very high	91	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-38.5	175	-157.9	-170.6	161.1	0	0	111.7	F855 A895 A898 L899 Q980 F982 A987 R988 F1006	F855-E984 HydrophobicContact CD1-CG 4.35Å; F855-E984 HydrophobicContact CD2-CB 4.21Å; F855-E984 HydrophobicContact CD2-CG 4.48Å; F855-E984 HydrophobicContact CE1-CB 4.44Å; F855-E984 HydrophobicContact CE1-CG 4.13Å; F855-E984 HydrophobicContact CE2-CB 3.81Å; F855-E984 HydrophobicContact CE2-CG 4.31Å; F855-E984 HydrophobicContact CZ-CB 3.91Å; F855-E984 HydrophobicContact CZ-CG 4.11Å; A895-E984 HydrophobicContact CB-CG 4.26Å; A898-E984 WeakPolarHBondContact CB-OE1 3.48Å; L899-E984 HydrophobicContact CD1-CG 4.15Å; L899-E984 HydrophobicContact CD2-CG 4.39Å; L899-E984 HydrophobicContact CG-CG 4.33Å; Q980-E984 PolarHBondContact O-N 2.72Å; F982-E984 VanDerWaalsContact C-N 3.3Å; F982-E984 PolarHBondContact O-N 3.43Å; E984-A987 PolarHBondContact O-N 3.28Å; E984-R988 PolarHBondContact O-N 3.43Å; E984-F1006 HydrophobicContact CG-CE2 4.04Å
985	I	93.7	Very high	90.7	Very high	16 Å²	16	27 Å²	27	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-67.4	-42.6	175.1	-59.6	170.8	0	0	0	111	F982 N983 A987 R988 V996 F997 I1000 F1006 L1049	F982-I985 HydrophobicContact CD1-CD1 4.23Å; F982-I985 WeakPolarHBondContact O-CB 3.47Å; F982-I985 PolarHBondContact O-N 2.93Å; N983-I985 VanDerWaalsContact C-N 3.27Å; N983-I985 PolarHBondContact O-N 3.14Å; I985-A987 VanDerWaalsContact C-N 3.34Å; I985-R988 WeakPolarHBondContact O-CB 3.44Å; I985-R988 WeakPolarHBondContact O-CG 3.5Å; I985-R988 PolarHBondContact O-N 3.3Å; I985-V996 HydrophobicContact CG2-CB 4.25Å; I985-V996 HydrophobicContact CG2-CG2 4.15Å; I985-F997 HydrophobicContact CG2-CD1 4.5Å; I985-F997 HydrophobicContact CG2-CE1 4.31Å; I985-I1000 HydrophobicContact CG2-CD1 4.4Å; I985-F1006 HydrophobicContact CG1-CE1 4.23Å; I985-F1006 HydrophobicContact CG1-CZ 3.98Å; I985-L1049 HydrophobicContact CB-CD2 4.14Å; I985-L1049 HydrophobicContact CG2-CD2 4.27Å
986	N	93.1	Very high	90.3	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-41.7	173.4	-75.1	-32.4	0	0	0	111.6	H932 F982 N983 R988 K989 E1048	H932-N986 PolarHBondContact CE1-ND2 2.88Å; H932-N986 VanDerWaalsContact CE1-ND2 3.31Å; F982-N986 PolarHBondContact O-N 3.42Å; N983-N986 WeakPolarHBondContact O-CB 3.46Å; N983-N986 PolarHBondContact O-N 2.95Å; N983-N986 VanDerWaalsContact O-N 3.14Å; N986-R988 PolarHBondContact O-N 2.96Å; N986-R988 VanDerWaalsContact O-N 3.14Å; N986-K989 PolarHBondContact O-N 3.13Å; N986-K989 VanDerWaalsContact O-N 3.08Å; N986-E1048 PolarHBondContact ND2-O 2.68Å
987	A	92.1	Very high	90.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-18.1	-176.2	0	0	0	0	0	114.2	K851 F855 L899 N983 E984 I985 K989	K851-A987 WeakPolarHBondContact CB-O 3.47Å; K851-A987 WeakPolarHBondContact CG-O 3.38Å; F855-A987 HydrophobicContact CB-CB 3.76Å; F855-A987 HydrophobicContact CD2-CB 4.37Å; F855-A987 HydrophobicContact CG-CB 4.44Å; L899-A987 HydrophobicContact CD1-CB 4.47Å; N983-A987 WeakPolarHBondContact O-CB 3.25Å; N983-A987 PolarHBondContact O-N 2.94Å; E984-A987 PolarHBondContact O-N 3.28Å; I985-A987 VanDerWaalsContact C-N 3.34Å; A987-K989 PolarHBondContact O-N 3.19Å; A987-K989 VanDerWaalsContact O-N 3.13Å
988	R	91.6	Very high	89.6	Confident	9 Å²	9	36.3 Å²	36.3	3%	0.034	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.6	169.4	-63.5	-178.7	64.8	-126.8	-2.7	113.5	K851 L899 E902 E984 I985 N986 V996 D998 F1006	K851-R988 WeakPolarHBondContact CD-O 3.41Å; K851-R988 WeakPolarHBondContact CE-O 3.45Å; L899-R988 HydrophobicContact CD2-CG 3.91Å; E902-R988 IonicContact OE1-CZ 2.79Å; E902-R988 IonicContact OE1-NE 2.7Å; E902-R988 PolarHBondContact OE1-NE 2.77Å; E902-R988 IonicContact OE1-NH2 2.89Å; E902-R988 PolarHBondContact OE1-NH2 3.17Å; E984-R988 PolarHBondContact O-N 3.43Å; I985-R988 WeakPolarHBondContact O-CB 3.44Å; I985-R988 WeakPolarHBondContact O-CG 3.5Å; I985-R988 PolarHBondContact O-N 3.3Å; N986-R988 PolarHBondContact O-N 2.96Å; N986-R988 VanDerWaalsContact O-N 3.14Å; R988-V996 PolarHBondContact NH1-O 2.85Å; R988-D998 PolarHBondContact NH1-O 2.88Å; R988-D998 PolarHBondContact NH2-O 3.13Å; R988-F1006 HydrophobicContact CG-CE2 4.03Å; R988-F1006 HydrophobicContact CG-CZ 4.12Å
989	K	89.3	Confident	89	Confident	21 Å²	21	37.8 Å²	37.8	9%	0.091	19%	0.193	C	C	.	.			trans	-118.8	107.4	-173.6	-62	-57.5	-160.6	168.4	0	112	N986 A987 E993 N995 V996 D998	N986-K989 PolarHBondContact O-N 3.13Å; N986-K989 VanDerWaalsContact O-N 3.08Å; A987-K989 PolarHBondContact O-N 3.19Å; A987-K989 VanDerWaalsContact O-N 3.13Å; K989-E993 HydrophobicContact CB-CB 4.27Å; K989-E993 HydrophobicContact CD-CB 4.08Å; K989-E993 WeakPolarHBondContact CD-OE2 3.25Å; K989-E993 WeakPolarHBondContact CE-OE2 3.41Å; K989-E993 HydrophobicContact CG-CB 4.3Å; K989-E993 IonicContact NZ-OE2 2.75Å; K989-E993 PolarHBondContact NZ-OE2 2.89Å; K989-N995 WeakPolarHBondContact CE-O 3.3Å; K989-V996 HydrophobicContact CG-CG1 4.28Å; K989-D998 IonicContact NZ-OD2 3.68Å; K989-D998 PolarHBondContact NZ-OD2 3Å; K989-D998 VanDerWaalsContact NZ-OD2 3.09Å
990	I	86.4	Confident	88.6	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.051	20%	0.199	C	C	.	.			trans	-102.5	-16.2	-174.3	55.8	171.7	0	0	0	115	D847 K851 Q854 T924	D847-I990 HydrophobicContact CB-CD1 4.18Å; K851-I990 HydrophobicContact CB-CG2 4.46Å; K851-I990 HydrophobicContact CG-CG2 3.95Å; Q854-I990 HydrophobicContact CB-CG2 4.48Å; T924-I990 PolarHBondContact OG1-O 3.12Å
991	H	81.2	Confident	88.3	Confident	87 Å²	87	47.1 Å²	47.1	40%	0.403	24%	0.235	S	C	.	.	S	Bend	trans	-96.3	9.9	-174	-71.1	107.6	0	0	0	114.9	D847 R911 Y914 E993	D847-H991 IonicContact OD1-NE2 2.82Å; D847-H991 PolarHBondContact OD1-NE2 2.69Å; D847-H991 IonicContact OD2-CE1 3.06Å; D847-H991 IonicContact OD2-ND1 3.09Å; D847-H991 IonicContact OD2-NE2 3.33Å; D847-H991 PolarHBondContact OD2-NE2 2.67Å; R911-H991 PolarHBondContact NH1-NE2 3.3Å; Y914-H991 PolarHBondContact OH-NE2 2.96Å; H991-E993 IonicContact CE1-OE1 2.68Å
992	G	72.5	Confident	87.8	Confident	42 Å²	42	50.7 Å²	50.7	43%	0.433	26%	0.26	S	S	.	.	S	Bend	trans	81.4	16.2	-175.2	0	0	0	0	0	114.2
993	E	81.9	Confident	87.4	Confident	70 Å²	70	49 Å²	49	33%	0.327	25%	0.253	S	S	.	.			trans	-62.8	131.8	168.7	-63.5	161.7	-106.2	0	0	110.2	K989 H991	K989-E993 HydrophobicContact CB-CB 4.27Å; K989-E993 HydrophobicContact CD-CB 4.08Å; K989-E993 WeakPolarHBondContact CD-OE2 3.25Å; K989-E993 WeakPolarHBondContact CE-OE2 3.41Å; K989-E993 HydrophobicContact CG-CB 4.3Å; K989-E993 IonicContact NZ-OE2 2.75Å; K989-E993 PolarHBondContact NZ-OE2 2.89Å; H991-E993 IonicContact CE1-OE1 2.68Å
994	R	84.3	Confident	87.1	Confident	157 Å²	157	53 Å²	53	59%	0.592	28%	0.279	S	S	*	.	S	Bend	trans	-81.7	-35.2	-177.3	-68.8	-172.1	-177.8	-172.4	-0	114.1	V996 Q1053	R994-V996 PolarHBondContact O-N 2.92Å; R994-Q1053 PolarHBondContact O-NE2 3.36Å; R994-Q1053 PolarHBondContact O-OE1 3.49Å
995	N	87.9	Confident	86.9	Confident	91 Å²	91	55.5 Å²	55.5	49%	0.487	29%	0.292	S	S	.	.			trans	-80.9	91.5	-175.7	-171.4	2	0	0	0	111.5	K989 F997 D998	K989-N995 WeakPolarHBondContact CE-O 3.3Å; N995-F997 VanDerWaalsContact C-N 3.28Å; N995-F997 PolarHBondContact O-N 3.49Å; N995-F997 PolarHBondContact OD1-N 3.48Å; N995-D998 HydrophobicContact CB-CB 4.14Å; N995-D998 VanDerWaalsContact O-CB 3.32Å; N995-D998 WeakPolarHBondContact O-CB 3.46Å; N995-D998 PolarHBondContact O-N 3.45Å; N995-D998 PolarHBondContact OD1-N 3.25Å
996	V	88.3	Confident	86.8	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.4	178.1	-62	0	0	0	0	113.9	I985 R988 K989 R994	I985-V996 HydrophobicContact CG2-CB 4.25Å; I985-V996 HydrophobicContact CG2-CG2 4.15Å; R988-V996 PolarHBondContact NH1-O 2.85Å; K989-V996 HydrophobicContact CG-CG1 4.28Å; R994-V996 PolarHBondContact O-N 2.92Å
997	F	89.4	Confident	86.8	Confident	113 Å²	113	55.8 Å²	55.8	50%	0.496	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.6	176.6	-58.4	-69.6	0	0	0	113.3	I985 N995 G999 I1000 L1049	I985-F997 HydrophobicContact CG2-CD1 4.5Å; I985-F997 HydrophobicContact CG2-CE1 4.31Å; N995-F997 VanDerWaalsContact C-N 3.28Å; N995-F997 PolarHBondContact O-N 3.49Å; N995-F997 PolarHBondContact OD1-N 3.48Å; F997-G999 PolarHBondContact O-N 2.89Å; F997-I1000 HydrophobicContact CD1-CD1 4.31Å; F997-I1000 WeakPolarHBondContact O-CB 3.42Å; F997-I1000 VanDerWaalsContact O-CG2 3.25Å; F997-I1000 WeakPolarHBondContact O-CG2 3.42Å; F997-I1000 PolarHBondContact O-N 3.08Å; F997-I1000 VanDerWaalsContact O-N 3.15Å; F997-L1049 HydrophobicContact CZ-CD1 4.08Å
998	D	86.1	Confident	86.8	Confident	79 Å²	79	60.6 Å²	60.6	42%	0.422	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	129.9	177.7	177.8	45.1	0	0	0	111.7	R988 K989 N995 I1000	R988-D998 PolarHBondContact NH1-O 2.88Å; R988-D998 PolarHBondContact NH2-O 3.13Å; K989-D998 IonicContact NZ-OD2 3.68Å; K989-D998 PolarHBondContact NZ-OD2 3Å; K989-D998 VanDerWaalsContact NZ-OD2 3.09Å; N995-D998 HydrophobicContact CB-CB 4.14Å; N995-D998 VanDerWaalsContact O-CB 3.32Å; N995-D998 WeakPolarHBondContact O-CB 3.46Å; N995-D998 PolarHBondContact O-N 3.45Å; N995-D998 PolarHBondContact OD1-N 3.25Å; D998-I1000 PolarHBondContact O-N 3.45Å; D998-I1000 VanDerWaalsContact O-N 3.08Å
999	G	81.4	Confident	86.9	Confident	31 Å²	31	61.2 Å²	61.2	32%	0.32	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	12.6	-177.7	0	0	0	0	0	116.6	F997 F1001 S1002	F997-G999 PolarHBondContact O-N 2.89Å; G999-F1001 PolarHBondContact O-N 3.44Å; G999-S1002 WeakPolarHBondContact O-CB 3.48Å; G999-S1002 PolarHBondContact O-N 3.34Å; G999-S1002 PolarHBondContact O-OG 2.87Å
1000	I	87.7	Confident	87	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.108	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59	-43.8	-171.6	-163.5	168.5	0	0	0	112.7	I985 F997 D998 S1002 N1003 F1006 C1007	I985-I1000 HydrophobicContact CG2-CD1 4.4Å; F997-I1000 HydrophobicContact CD1-CD1 4.31Å; F997-I1000 WeakPolarHBondContact O-CB 3.42Å; F997-I1000 VanDerWaalsContact O-CG2 3.25Å; F997-I1000 WeakPolarHBondContact O-CG2 3.42Å; F997-I1000 PolarHBondContact O-N 3.08Å; F997-I1000 VanDerWaalsContact O-N 3.15Å; D998-I1000 PolarHBondContact O-N 3.45Å; D998-I1000 VanDerWaalsContact O-N 3.08Å; I1000-S1002 PolarHBondContact O-N 3.06Å; I1000-N1003 PolarHBondContact O-N 2.72Å; I1000-F1006 HydrophobicContact CD1-CE1 4.02Å; I1000-F1006 HydrophobicContact CG1-CD1 4.06Å; I1000-F1006 HydrophobicContact CG1-CE1 4.01Å; I1000-C1007 PolarHBondContact O-SG 2.73Å; I1000-C1007 VanDerWaalsContact O-SG 3.39Å
1001	F	88.3	Confident	87.4	Confident	182 Å²	182	66.5 Å²	66.5	80%	0.798	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-71.6	-9	177.2	-56.7	-66.8	0	0	0	114	G999 N1003	G999-F1001 PolarHBondContact O-N 3.44Å; F1001-N1003 VanDerWaalsContact C-N 3.27Å; F1001-N1003 PolarHBondContact O-N 3.11Å
1002	S	84.4	Confident	88	Confident	81 Å²	81	63.8 Å²	63.8	57%	0.566	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-74.8	-17.1	174.5	-53.1	0	0	0	0	112.6	G999 I1000	G999-S1002 WeakPolarHBondContact O-CB 3.48Å; G999-S1002 PolarHBondContact O-N 3.34Å; G999-S1002 PolarHBondContact O-OG 2.87Å; I1000-S1002 PolarHBondContact O-N 3.06Å
1003	N	86.5	Confident	89	Confident	1 Å²	1	62 Å²	62	1%	0.005	34%	0.335	C	S	.	.			trans	-111.8	96.8	168.5	-169.6	-1.1	0	0	0	111.1	A898 T901 I1000 F1001 I1005 F1006 C1007	A898-N1003 PolarHBondContact O-ND2 2.93Å; A898-N1003 VanDerWaalsContact O-ND2 3.14Å; T901-N1003 PolarHBondContact OG1-ND2 3.48Å; T901-N1003 VanDerWaalsContact OG1-ND2 3.11Å; I1000-N1003 PolarHBondContact O-N 2.72Å; F1001-N1003 VanDerWaalsContact C-N 3.27Å; F1001-N1003 PolarHBondContact O-N 3.11Å; N1003-I1005 PolarHBondContact O-N 3.46Å; N1003-I1005 VanDerWaalsContact OD1-CB 3.32Å; N1003-I1005 WeakPolarHBondContact OD1-CB 3.46Å; N1003-I1005 PolarHBondContact OD1-N 2.82Å; N1003-F1006 HydrophobicContact CB-CB 3.98Å; N1003-F1006 PolarHBondContact O-N 3.48Å; N1003-F1006 PolarHBondContact OD1-N 3.36Å; N1003-C1007 PolarHBondContact O-N 2.87Å; N1003-C1007 PolarHBondContact O-SG 3.39Å
1004	P	89.1	Confident	89.6	Confident	84 Å²	84	62 Å²	62	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-21.4	177.1	28.8	-35	0	0	0	112.8	T1008	P1004-T1008 WeakPolarHBondContact O-CB 3.22Å; P1004-T1008 PolarHBondContact O-N 2.99Å; P1004-T1008 PolarHBondContact O-OG1 3.39Å
1005	I	89.9	Confident	90.1	Very high	55 Å²	55	56.1 Å²	56.1	28%	0.282	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-50	176.4	-57.1	174.2	0	0	0	109	Y443 L897 T901 N1003 C1007 T1008 I1009	Y443-I1005 HydrophobicContact CE2-CD1 4.23Å; L897-I1005 HydrophobicContact CG-CG2 4.09Å; T901-I1005 HydrophobicContact CG2-CD1 4.34Å; N1003-I1005 PolarHBondContact O-N 3.46Å; N1003-I1005 VanDerWaalsContact OD1-CB 3.32Å; N1003-I1005 WeakPolarHBondContact OD1-CB 3.46Å; N1003-I1005 PolarHBondContact OD1-N 2.82Å; I1005-C1007 PolarHBondContact O-N 3.12Å; I1005-T1008 PolarHBondContact O-N 3.18Å; I1005-I1009 HydrophobicContact CG2-CD1 3.76Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; I1005-I1009 PolarHBondContact O-N 3.1Å
1006	F	92	Very high	90.4	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-54.5	-51	174.5	-177.8	-87.5	0	0	0	111.8	A898 L899 E984 I985 R988 I1000 N1003 T1008 I1009 V1010	A898-F1006 HydrophobicContact CB-CD2 3.83Å; L899-F1006 HydrophobicContact CD2-CD2 4.21Å; L899-F1006 HydrophobicContact CD2-CE2 3.81Å; E984-F1006 HydrophobicContact CG-CE2 4.04Å; I985-F1006 HydrophobicContact CG1-CE1 4.23Å; I985-F1006 HydrophobicContact CG1-CZ 3.98Å; R988-F1006 HydrophobicContact CG-CE2 4.03Å; R988-F1006 HydrophobicContact CG-CZ 4.12Å; I1000-F1006 HydrophobicContact CD1-CE1 4.02Å; I1000-F1006 HydrophobicContact CG1-CD1 4.06Å; I1000-F1006 HydrophobicContact CG1-CE1 4.01Å; N1003-F1006 HydrophobicContact CB-CB 3.98Å; N1003-F1006 PolarHBondContact O-N 3.48Å; N1003-F1006 PolarHBondContact OD1-N 3.36Å; F1006-T1008 VanDerWaalsContact C-N 3.3Å; F1006-T1008 PolarHBondContact O-N 3.47Å; F1006-I1009 PolarHBondContact O-N 3.25Å; F1006-V1010 HydrophobicContact CD1-CG2 4.21Å; F1006-V1010 HydrophobicContact CE1-CG2 3.72Å; F1006-V1010 HydrophobicContact CE2-CG2 4.14Å; F1006-V1010 HydrophobicContact CZ-CG2 3.67Å; F1006-V1010 PolarHBondContact O-N 3.18Å
1007	C	92.7	Very high	90.7	Very high	27 Å²	27	54.9 Å²	54.9	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-38.3	179.3	-62.8	0	0	0	0	112.7	I1000 N1003 I1005 L1011	I1000-C1007 PolarHBondContact O-SG 2.73Å; I1000-C1007 VanDerWaalsContact O-SG 3.39Å; N1003-C1007 PolarHBondContact O-N 2.87Å; N1003-C1007 PolarHBondContact O-SG 3.39Å; I1005-C1007 PolarHBondContact O-N 3.12Å; C1007-L1011 WeakPolarHBondContact O-CB 3.23Å; C1007-L1011 VanDerWaalsContact O-CG 3.29Å; C1007-L1011 WeakPolarHBondContact O-CG 3.23Å; C1007-L1011 PolarHBondContact O-N 3.48Å
1008	T	92.8	Very high	91	Very high	100 Å²	100	52.4 Å²	52.4	61%	0.613	31%	0.305	S	S	*	.	H	α-helix	trans	-69.5	-37.9	178.2	-55.1	0	0	0	0	111.6	P1004 I1005 F1006 G1012	P1004-T1008 WeakPolarHBondContact O-CB 3.22Å; P1004-T1008 PolarHBondContact O-N 2.99Å; P1004-T1008 PolarHBondContact O-OG1 3.39Å; I1005-T1008 PolarHBondContact O-N 3.18Å; F1006-T1008 VanDerWaalsContact C-N 3.3Å; F1006-T1008 PolarHBondContact O-N 3.47Å; T1008-G1012 WeakPolarHBondContact O-CA 3.16Å; T1008-G1012 PolarHBondContact O-N 2.79Å
1009	I	91.8	Very high	91.3	Very high	22 Å²	22	52.7 Å²	52.7	11%	0.113	31%	0.31	C	S	.	.	H	α-helix	trans	-70.9	-50.4	-179.8	-72.4	171.9	0	0	0	111.1	F894 L897 A898 I1005 F1006 L1011 G1012 T1013	F894-I1009 HydrophobicContact CB-CG2 3.87Å; L897-I1009 HydrophobicContact CB-CD1 4.11Å; L897-I1009 HydrophobicContact CD2-CD1 4.1Å; L897-I1009 HydrophobicContact CG-CD1 4Å; A898-I1009 HydrophobicContact CB-CB 4.26Å; A898-I1009 HydrophobicContact CB-CD1 3.87Å; A898-I1009 HydrophobicContact CB-CG2 4.12Å; I1005-I1009 HydrophobicContact CG2-CD1 3.76Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; I1005-I1009 PolarHBondContact O-N 3.1Å; F1006-I1009 PolarHBondContact O-N 3.25Å; I1009-L1011 PolarHBondContact O-N 3.46Å; I1009-G1012 PolarHBondContact O-N 3.28Å; I1009-T1013 WeakPolarHBondContact O-CB 3.35Å; I1009-T1013 PolarHBondContact O-N 3.44Å; I1009-T1013 PolarHBondContact O-OG1 3.02Å
1010	V	92.7	Very high	91.8	Very high	21 Å²	21	51.8 Å²	51.8	13%	0.127	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-46.1	-179.3	175.7	0	0	0	0	111.5	L981 F1006 F1014	L981-V1010 HydrophobicContact CD2-CG1 4.44Å; F1006-V1010 HydrophobicContact CD1-CG2 4.21Å; F1006-V1010 HydrophobicContact CE1-CG2 3.72Å; F1006-V1010 HydrophobicContact CE2-CG2 4.14Å; F1006-V1010 HydrophobicContact CZ-CG2 3.67Å; F1006-V1010 PolarHBondContact O-N 3.18Å; V1010-F1014 WeakPolarHBondContact O-CB 3.35Å; V1010-F1014 PolarHBondContact O-N 3.05Å; V1010-F1014 VanDerWaalsContact O-N 3.08Å
1011	L	94.4	Very high	92.1	Very high	121 Å²	121	50.8 Å²	50.8	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-70.6	-35.2	177.9	-64.8	174.9	0	0	0	112.6	C1007 I1009 G1015	C1007-L1011 WeakPolarHBondContact O-CB 3.23Å; C1007-L1011 VanDerWaalsContact O-CG 3.29Å; C1007-L1011 WeakPolarHBondContact O-CG 3.23Å; C1007-L1011 PolarHBondContact O-N 3.48Å; I1009-L1011 PolarHBondContact O-N 3.46Å; L1011-G1015 PolarHBondContact O-N 3.46Å
1012	G	94.3	Very high	92.3	Very high	31 Å²	31	44.6 Å²	44.6	32%	0.32	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-49.4	176.3	0	0	0	0	0	112.1	T1008 I1009 F1014 G1015 I1016	T1008-G1012 WeakPolarHBondContact O-CA 3.16Å; T1008-G1012 PolarHBondContact O-N 2.79Å; I1009-G1012 PolarHBondContact O-N 3.28Å; G1012-F1014 PolarHBondContact O-N 2.62Å; G1012-G1015 PolarHBondContact O-N 2.97Å; G1012-I1016 VanDerWaalsContact O-CG1 3.29Å; G1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; G1012-I1016 PolarHBondContact O-N 3.42Å
1013	T	93	Very high	92.6	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-40.6	176.8	-58.1	0	0	0	0	111.7	W886 I890 L981 I1009 G1015 I1016 Q1017	W886-T1013 HydrophobicContact CH2-CG2 4.35Å; W886-T1013 HydrophobicContact CZ2-CG2 4.04Å; I890-T1013 HydrophobicContact CD1-CG2 3.52Å; I890-T1013 HydrophobicContact CG1-CG2 3.63Å; I890-T1013 HydrophobicContact CG2-CG2 4.19Å; L981-T1013 HydrophobicContact CD2-CG2 3.8Å; I1009-T1013 WeakPolarHBondContact O-CB 3.35Å; I1009-T1013 PolarHBondContact O-N 3.44Å; I1009-T1013 PolarHBondContact O-OG1 3.02Å; T1013-G1015 PolarHBondContact O-N 3.15Å; T1013-I1016 PolarHBondContact O-N 3.13Å; T1013-Q1017 VanDerWaalsContact O-CB 3.32Å; T1013-Q1017 WeakPolarHBondContact O-CB 3.47Å; T1013-Q1017 PolarHBondContact O-N 3.37Å
1014	F	95.1	Very high	92.4	Very high	70 Å²	70	49.3 Å²	49.3	31%	0.307	28%	0.279	S	S	.	.	H	α-helix	trans	-58.9	-45.8	172.3	-179.9	-103	0	0	0	112.1	M978 L981 V1010 G1012 Q1017 I1018 L1042	M978-F1014 HydrophobicContact CE-CD2 3.84Å; M978-F1014 HydrophobicContact CE-CE2 4.09Å; M978-F1014 HydrophobicContact SD-CD2 3.8Å; M978-F1014 HydrophobicContact SD-CE2 3.67Å; L981-F1014 HydrophobicContact CD1-CB 4.13Å; L981-F1014 HydrophobicContact CD1-CD2 4.34Å; V1010-F1014 WeakPolarHBondContact O-CB 3.35Å; V1010-F1014 PolarHBondContact O-N 3.05Å; V1010-F1014 VanDerWaalsContact O-N 3.08Å; G1012-F1014 PolarHBondContact O-N 2.62Å; F1014-Q1017 PolarHBondContact O-N 3.36Å; F1014-I1018 HydrophobicContact CD1-CD1 4.01Å; F1014-I1018 HydrophobicContact CE1-CD1 3.58Å; F1014-I1018 HydrophobicContact CZ-CD1 3.91Å; F1014-I1018 WeakPolarHBondContact O-CG1 3.47Å; F1014-I1018 PolarHBondContact O-N 3.25Å; F1014-I1018 VanDerWaalsContact O-N 3.15Å; F1014-L1042 HydrophobicContact CE2-CD1 4.18Å
1015	G	95.3	Very high	92.1	Very high	33 Å²	33	46.5 Å²	46.5	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175.8	0	0	0	0	0	113.6	L1011 G1012 T1013 I1018 V1019	L1011-G1015 PolarHBondContact O-N 3.46Å; G1012-G1015 PolarHBondContact O-N 2.97Å; T1013-G1015 PolarHBondContact O-N 3.15Å; G1015-I1018 PolarHBondContact O-N 2.88Å; G1015-V1019 PolarHBondContact O-N 2.98Å
1016	I	93.5	Very high	91.6	Very high	74 Å²	74	48.9 Å²	48.9	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-39.5	176.9	-65.1	162.2	0	0	0	110.8	W886 G1012 T1013 I1018 V1019 I1020	W886-I1016 HydrophobicContact CH2-CB 3.9Å; W886-I1016 HydrophobicContact CH2-CD1 4.28Å; W886-I1016 HydrophobicContact CH2-CG2 3.36Å; W886-I1016 HydrophobicContact CZ2-CB 4.15Å; W886-I1016 HydrophobicContact CZ2-CG2 3.67Å; W886-I1016 HydrophobicContact CZ3-CG2 4.07Å; G1012-I1016 VanDerWaalsContact O-CG1 3.29Å; G1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; G1012-I1016 PolarHBondContact O-N 3.42Å; T1013-I1016 PolarHBondContact O-N 3.13Å; I1016-I1018 VanDerWaalsContact C-N 3.32Å; I1016-I1018 PolarHBondContact O-N 2.8Å; I1016-V1019 WeakPolarHBondContact O-CB 3.09Å; I1016-V1019 PolarHBondContact O-N 3.4Å; I1016-I1020 HydrophobicContact CG2-CD1 3.76Å; I1016-I1020 HydrophobicContact CG2-CG1 4.2Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.4Å; I1016-I1020 PolarHBondContact O-N 2.96Å
1017	Q	95	Very high	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.5	-177.4	65.2	14.2	0	0	111.9	F973 N974 V977 M978 T1013 F1014 V1019 I1020 V1021 W1038	F973-Q1017 VanDerWaalsContact CE1-NE2 3.31Å; N974-Q1017 WeakPolarHBondContact OD1-CG 3.4Å; N974-Q1017 PolarHBondContact OD1-NE2 3.49Å; N974-Q1017 VanDerWaalsContact OD1-NE2 3.08Å; V977-Q1017 HydrophobicContact CB-CG 4.36Å; V977-Q1017 HydrophobicContact CG1-CB 4.39Å; V977-Q1017 HydrophobicContact CG1-CG 3.88Å; M978-Q1017 HydrophobicContact CE-CB 4.24Å; M978-Q1017 HydrophobicContact CE-CG 3.65Å; T1013-Q1017 VanDerWaalsContact O-CB 3.32Å; T1013-Q1017 WeakPolarHBondContact O-CB 3.47Å; T1013-Q1017 PolarHBondContact O-N 3.37Å; F1014-Q1017 PolarHBondContact O-N 3.36Å; Q1017-V1019 VanDerWaalsContact C-N 3.32Å; Q1017-V1019 PolarHBondContact O-N 3.5Å; Q1017-I1020 PolarHBondContact O-N 2.96Å; Q1017-V1021 HydrophobicContact CG-CG2 4.49Å; Q1017-V1021 WeakPolarHBondContact O-CG2 3.44Å; Q1017-V1021 PolarHBondContact O-N 3.27Å; Q1017-W1038 HydrophobicContact CG-CH2 4.47Å
1018	I	94.1	Very high	90.5	Very high	62 Å²	62	53.4 Å²	53.4	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-42.6	172.3	-67.9	165.5	0	0	0	111	F1014 G1015 I1016 Q1022 W1038	F1014-I1018 HydrophobicContact CD1-CD1 4.01Å; F1014-I1018 HydrophobicContact CE1-CD1 3.58Å; F1014-I1018 HydrophobicContact CZ-CD1 3.91Å; F1014-I1018 WeakPolarHBondContact O-CG1 3.47Å; F1014-I1018 PolarHBondContact O-N 3.25Å; F1014-I1018 VanDerWaalsContact O-N 3.15Å; G1015-I1018 PolarHBondContact O-N 2.88Å; I1016-I1018 VanDerWaalsContact C-N 3.32Å; I1016-I1018 PolarHBondContact O-N 2.8Å; I1018-Q1022 HydrophobicContact CG2-CG 4.47Å; I1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; I1018-Q1022 WeakPolarHBondContact O-CG 3.42Å; I1018-Q1022 PolarHBondContact O-N 2.69Å; I1018-W1038 HydrophobicContact CB-CH2 4.25Å; I1018-W1038 HydrophobicContact CB-CZ2 4.4Å; I1018-W1038 HydrophobicContact CG1-CH2 3.59Å; I1018-W1038 HydrophobicContact CG1-CZ2 4.07Å; I1018-W1038 HydrophobicContact CG1-CZ3 4.02Å
1019	V	94.3	Very high	90	Very high	84 Å²	84	50.2 Å²	50.2	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-43.7	177.9	176.3	0	0	0	0	111.6	G1015 I1016 Q1017 F1023	G1015-V1019 PolarHBondContact O-N 2.98Å; I1016-V1019 WeakPolarHBondContact O-CB 3.09Å; I1016-V1019 PolarHBondContact O-N 3.4Å; Q1017-V1019 VanDerWaalsContact C-N 3.32Å; Q1017-V1019 PolarHBondContact O-N 3.5Å; V1019-F1023 HydrophobicContact CG1-CD2 4.35Å; V1019-F1023 WeakPolarHBondContact O-CB 3.32Å; V1019-F1023 PolarHBondContact O-N 3.16Å
1020	I	91.5	Very high	89.8	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-45.6	178.6	-72.1	171.5	0	0	0	111.3	W886 F973 I1016 Q1017 G1024 F1028	W886-I1020 HydrophobicContact CD2-CD1 3.72Å; W886-I1020 VanDerWaalsContact CE2-CD1 3.46Å; W886-I1020 HydrophobicContact CE3-CD1 4.24Å; W886-I1020 HydrophobicContact CG-CD1 4.12Å; W886-I1020 HydrophobicContact CH2-CD1 4.36Å; W886-I1020 HydrophobicContact CZ2-CD1 3.82Å; F973-I1020 HydrophobicContact CE1-CG2 4.15Å; F973-I1020 HydrophobicContact CZ-CG2 4.37Å; I1016-I1020 HydrophobicContact CG2-CD1 3.76Å; I1016-I1020 HydrophobicContact CG2-CG1 4.2Å; I1016-I1020 WeakPolarHBondContact O-CG1 3.4Å; I1016-I1020 PolarHBondContact O-N 2.96Å; Q1017-I1020 PolarHBondContact O-N 2.96Å; I1020-G1024 WeakPolarHBondContact O-CA 3.44Å; I1020-G1024 PolarHBondContact O-N 2.92Å; I1020-F1028 HydrophobicContact CD1-CE1 4.17Å; I1020-F1028 HydrophobicContact CG1-CE1 4.31Å; I1020-F1028 HydrophobicContact CG1-CZ 4.45Å; I1020-F1028 HydrophobicContact CG2-CB 4.02Å; I1020-F1028 HydrophobicContact CG2-CD1 3.74Å; I1020-F1028 HydrophobicContact CG2-CE1 4.35Å; I1020-F1028 HydrophobicContact CG2-CG 3.85Å
1021	V	93.8	Very high	89.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-74.4	-41.5	-176.2	174.5	0	0	0	0	111.7	T970 F973 N974 Q1017 L1033 W1038	T970-V1021 HydrophobicContact CG2-CG1 3.81Å; F973-V1021 HydrophobicContact CD1-CG2 4.38Å; F973-V1021 HydrophobicContact CE1-CG2 4.08Å; N974-V1021 HydrophobicContact CB-CG2 4.3Å; Q1017-V1021 HydrophobicContact CG-CG2 4.49Å; Q1017-V1021 WeakPolarHBondContact O-CG2 3.44Å; Q1017-V1021 PolarHBondContact O-N 3.27Å; V1021-L1033 HydrophobicContact CG1-CB 4.28Å; V1021-L1033 HydrophobicContact CG1-CD1 3.89Å; V1021-L1033 HydrophobicContact CG1-CG 3.79Å; V1021-W1038 HydrophobicContact CB-CH2 4.44Å; V1021-W1038 HydrophobicContact CB-CZ2 3.81Å; V1021-W1038 HydrophobicContact CG1-CZ2 3.89Å; V1021-W1038 HydrophobicContact CG2-CZ2 4.35Å
1022	Q	92.6	Very high	89.6	Confident	52 Å²	52	47.1 Å²	47.1	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-82.3	-23.2	-177.9	-57.7	-51.7	99.8	0	0	114.5	I1018 L1033	I1018-Q1022 HydrophobicContact CG2-CG 4.47Å; I1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; I1018-Q1022 WeakPolarHBondContact O-CG 3.42Å; I1018-Q1022 PolarHBondContact O-N 2.69Å; Q1022-L1033 PolarHBondContact NE2-O 2.87Å; Q1022-L1033 PolarHBondContact OE1-O 3.45Å
1023	F	90.4	Very high	89.5	Confident	170 Å²	170	45.9 Å²	45.9	75%	0.746	26%	0.255	S	S	*	.	H	α-helix	trans	-130.3	-7.9	-174.8	-54.4	-78.1	0	0	0	114.9	V1019	V1019-F1023 HydrophobicContact CG1-CD2 4.35Å; V1019-F1023 WeakPolarHBondContact O-CB 3.32Å; V1019-F1023 PolarHBondContact O-N 3.16Å
1024	G	81.9	Confident	89.5	Confident	11 Å²	11	48.4 Å²	48.4	11%	0.113	27%	0.272	C	S	.	.			trans	-76.5	-19.9	-175.6	0	0	0	0	0	115.5	I1020 P1027 F1028	I1020-G1024 WeakPolarHBondContact O-CA 3.44Å; I1020-G1024 PolarHBondContact O-N 2.92Å; G1024-P1027 VanDerWaalsContact O-CD 3.29Å; G1024-P1027 WeakPolarHBondContact O-CD 3.41Å; G1024-F1028 PolarHBondContact O-N 3.05Å
1025	G	83.2	Confident	89.3	Confident	26 Å²	26	50.4 Å²	50.4	27%	0.268	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	-143.8	165.6	0	0	0	0	0	116.1	F1028 S1029 C1030	G1025-F1028 PolarHBondContact O-N 3.43Å; G1025-S1029 PolarHBondContact O-N 3.49Å; G1025-S1029 VanDerWaalsContact O-N 3.11Å; G1025-C1030 CarbonylContact C-O 3.53Å; G1025-C1030 VanDerWaalsContact CA-O 3.25Å; G1025-C1030 WeakPolarHBondContact CA-O 3.44Å; G1025-C1030 PolarHBondContact O-N 2.75Å
1026	K	79.8	Confident	89.2	Confident	104 Å²	104	55.1 Å²	55.1	45%	0.452	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-51.6	-47.3	177	-66.6	-171.8	179.8	-173.1	0	112.7	A152 I155 F1028 S1029	A152-K1026 HydrophobicContact CB-CD 4.29Å; I155-K1026 HydrophobicContact CD1-CB 4.44Å; I155-K1026 HydrophobicContact CD1-CD 4.48Å; K1026-F1028 PolarHBondContact O-N 3.43Å; K1026-S1029 PolarHBondContact O-N 2.84Å
1027	P	79.4	Confident	89.1	Confident	61 Å²	61	52.3 Å²	52.3	40%	0.396	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.3	-36.4	179.5	-29.4	35.5	0	0	0	116.6	I155 G1024	I155-P1027 HydrophobicContact CG2-CB 4.25Å; I155-P1027 HydrophobicContact CG2-CG 3.99Å; G1024-P1027 VanDerWaalsContact O-CD 3.29Å; G1024-P1027 WeakPolarHBondContact O-CD 3.41Å
1028	F	81.4	Confident	89.1	Confident	63 Å²	63	54 Å²	54	28%	0.276	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-97.4	6.9	175.9	-76.4	-88.7	0	0	0	113.1	V882 Q883 I1020 G1024 G1025 K1026 C1030	V882-F1028 HydrophobicContact CG1-CD1 3.71Å; V882-F1028 HydrophobicContact CG1-CE1 3.91Å; V882-F1028 HydrophobicContact CG1-CG 4.35Å; Q883-F1028 WeakPolarHBondContact CG-O 3.2Å; Q883-F1028 PolarHBondContact NE2-O 2.99Å; I1020-F1028 HydrophobicContact CD1-CE1 4.17Å; I1020-F1028 HydrophobicContact CG1-CE1 4.31Å; I1020-F1028 HydrophobicContact CG1-CZ 4.45Å; I1020-F1028 HydrophobicContact CG2-CB 4.02Å; I1020-F1028 HydrophobicContact CG2-CD1 3.74Å; I1020-F1028 HydrophobicContact CG2-CE1 4.35Å; I1020-F1028 HydrophobicContact CG2-CG 3.85Å; G1024-F1028 PolarHBondContact O-N 3.05Å; G1025-F1028 PolarHBondContact O-N 3.43Å; K1026-F1028 PolarHBondContact O-N 3.43Å; F1028-C1030 PolarHBondContact O-N 2.74Å; F1028-C1030 PolarHBondContact O-SG 3.33Å
1029	S	82.3	Confident	89.1	Confident	33 Å²	33	56 Å²	56	23%	0.231	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.2	-172.2	-48	0	0	0	0	113.1	Q883 P965 G1025 K1026	Q883-S1029 PolarHBondContact NE2-O 3.48Å; P965-S1029 VanDerWaalsContact CB-C 3.46Å; G1025-S1029 PolarHBondContact O-N 3.49Å; G1025-S1029 VanDerWaalsContact O-N 3.11Å; K1026-S1029 PolarHBondContact O-N 2.84Å
1030	C	88.7	Confident	89.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	30%	0.299	C	S	.	.			trans	-115.9	147.9	-178.9	-66.3	0	0	0	0	111.2	T970 G1025 F1028	T970-C1030 HydrophobicContact CG2-CB 3.93Å; T970-C1030 WeakPolarHBondContact OG1-CA 3.44Å; G1025-C1030 CarbonylContact C-O 3.53Å; G1025-C1030 VanDerWaalsContact CA-O 3.25Å; G1025-C1030 WeakPolarHBondContact CA-O 3.44Å; G1025-C1030 PolarHBondContact O-N 2.75Å; F1028-C1030 PolarHBondContact O-N 2.74Å; F1028-C1030 PolarHBondContact O-SG 3.33Å
1031	S	89.8	Confident	89.2	Confident	14 Å²	14	56 Å²	56	10%	0.098	30%	0.296	C	S	.	.			trans	-114.1	148.5	167.7	48.3	0	0	0	0	111.1	S966 E967 T970 L1033	S966-S1031 PolarHBondContact O-OG 2.73Å; E967-S1031 WeakPolarHBondContact CA-OG 3.4Å; E967-S1031 WeakPolarHBondContact CG-OG 3.47Å; E967-S1031 PolarHBondContact N-OG 2.93Å; E967-S1031 VanDerWaalsContact N-OG 3.14Å; T970-S1031 WeakPolarHBondContact CG2-O 3.24Å; T970-S1031 PolarHBondContact OG1-N 3.45Å; T970-S1031 VanDerWaalsContact OG1-N 3.08Å; T970-S1031 PolarHBondContact OG1-OG 3.45Å; S1031-L1033 PolarHBondContact O-N 3.22Å
1032	P	91.9	Very high	89.2	Confident	84 Å²	84	58.7 Å²	58.7	55%	0.545	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.1	117.7	-175.3	-19.3	32.8	0	0	0	111.7
1033	L	92.7	Very high	89.3	Confident	6 Å²	6	63 Å²	63	3%	0.031	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.9	146.5	-179.3	-63.8	-179.3	0	0	0	111.8	T970 I971 N974 V1021 Q1022 S1031 Q1037	T970-L1033 HydrophobicContact CG2-CD1 4.23Å; T970-L1033 HydrophobicContact CG2-CD2 4.18Å; T970-L1033 HydrophobicContact CG2-CG 4.04Å; I971-L1033 HydrophobicContact CG1-CD1 4.19Å; I971-L1033 HydrophobicContact CG1-CD2 3.7Å; N974-L1033 HydrophobicContact CB-CD1 4.09Å; V1021-L1033 HydrophobicContact CG1-CB 4.28Å; V1021-L1033 HydrophobicContact CG1-CD1 3.89Å; V1021-L1033 HydrophobicContact CG1-CG 3.79Å; Q1022-L1033 PolarHBondContact NE2-O 2.87Å; Q1022-L1033 PolarHBondContact OE1-O 3.45Å; S1031-L1033 PolarHBondContact O-N 3.22Å; L1033-Q1037 HydrophobicContact CB-CB 4.29Å
1034	S	92.2	Very high	89.5	Confident	57 Å²	57	56.2 Å²	56.2	40%	0.399	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.3	160	170.4	69.3	0	0	0	0	112.4	E1036 Q1037 W1038	S1034-E1036 PolarHBondContact O-N 3.48Å; S1034-Q1037 PolarHBondContact O-N 2.65Å; S1034-Q1037 WeakPolarHBondContact OG-CG 3.35Å; S1034-Q1037 PolarHBondContact OG-N 3.5Å; S1034-Q1037 PolarHBondContact OG-OE1 2.95Å; S1034-W1038 PolarHBondContact O-N 3.24Å
1035	T	92	Very high	90.1	Very high	112 Å²	112	55.7 Å²	55.7	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-30.9	178.5	-48.8	0	0	0	0	112.8	L1039	T1035-L1039 HydrophobicContact CG2-CD1 4.45Å; T1035-L1039 VanDerWaalsContact O-CG 3.3Å; T1035-L1039 WeakPolarHBondContact O-CG 3.25Å; T1035-L1039 PolarHBondContact O-N 2.79Å
1036	E	92.3	Very high	90.7	Very high	132 Å²	132	57.3 Å²	57.3	62%	0.617	30%	0.3	S	S	*	.	H	α-helix	trans	-72.2	-48.2	177.1	179.7	160.8	-173.1	0	0	112	S1034 W1038 L1039 W1040	S1034-E1036 PolarHBondContact O-N 3.48Å; E1036-W1038 PolarHBondContact O-N 3.02Å; E1036-L1039 PolarHBondContact O-N 3.36Å; E1036-W1040 VanDerWaalsContact O-CD1 3.25Å; E1036-W1040 PolarHBondContact O-N 2.86Å
1037	Q	91.8	Very high	91.4	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.065	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-42	173.3	-69.2	158	-32.6	0	0	110.8	E967 I971 L1033 S1034 L1039 W1040 C1041	E967-Q1037 PolarHBondContact OE2-NE2 2.91Å; I971-Q1037 HydrophobicContact CD1-CB 4.28Å; I971-Q1037 HydrophobicContact CD1-CG 3.83Å; I971-Q1037 HydrophobicContact CG1-CB 4.4Å; I971-Q1037 HydrophobicContact CG1-CG 4.45Å; L1033-Q1037 HydrophobicContact CB-CB 4.29Å; S1034-Q1037 PolarHBondContact O-N 2.65Å; S1034-Q1037 WeakPolarHBondContact OG-CG 3.35Å; S1034-Q1037 PolarHBondContact OG-N 3.5Å; S1034-Q1037 PolarHBondContact OG-OE1 2.95Å; Q1037-L1039 PolarHBondContact O-N 3.42Å; Q1037-W1040 PolarHBondContact O-N 3.2Å; Q1037-C1041 PolarHBondContact O-N 3.41Å; Q1037-C1041 PolarHBondContact O-SG 3.14Å
1038	W	94.2	Very high	92.1	Very high	35 Å²	35	50.3 Å²	50.3	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-43.5	173.1	-94.1	104.7	0	0	0	114	N974 M978 Q1017 I1018 V1021 S1034 E1036 W1040 C1041 L1042	N974-W1038 VanDerWaalsContact ND2-CE3 3.28Å; N974-W1038 VanDerWaalsContact ND2-CH2 3.34Å; N974-W1038 WeakPolarHBondContact ND2-CH2 3.3Å; N974-W1038 WeakPolarHBondContact ND2-CZ3 3.48Å; N974-W1038 WeakPolarHBondContact OD1-CH2 3.32Å; M978-W1038 HydrophobicContact CE-CZ3 4.09Å; Q1017-W1038 HydrophobicContact CG-CH2 4.47Å; I1018-W1038 HydrophobicContact CB-CH2 4.25Å; I1018-W1038 HydrophobicContact CB-CZ2 4.4Å; I1018-W1038 HydrophobicContact CG1-CH2 3.59Å; I1018-W1038 HydrophobicContact CG1-CZ2 4.07Å; I1018-W1038 HydrophobicContact CG1-CZ3 4.02Å; V1021-W1038 HydrophobicContact CB-CH2 4.44Å; V1021-W1038 HydrophobicContact CB-CZ2 3.81Å; V1021-W1038 HydrophobicContact CG1-CZ2 3.89Å; V1021-W1038 HydrophobicContact CG2-CZ2 4.35Å; S1034-W1038 PolarHBondContact O-N 3.24Å; E1036-W1038 PolarHBondContact O-N 3.02Å; W1038-W1040 VanDerWaalsContact C-N 3.33Å; W1038-C1041 PolarHBondContact O-N 3.14Å; W1038-L1042 WeakPolarHBondContact O-CB 3.45Å; W1038-L1042 PolarHBondContact O-N 3.22Å
1039	L	94.7	Very high	92.7	Very high	106 Å²	106	48.4 Å²	48.4	56%	0.555	26%	0.261	S	S	*	.	H	α-helix	trans	-66	-36	177.6	-75.2	168.6	0	0	0	111.8	T1035 E1036 Q1037 L1042 F1043	T1035-L1039 HydrophobicContact CG2-CD1 4.45Å; T1035-L1039 VanDerWaalsContact O-CG 3.3Å; T1035-L1039 WeakPolarHBondContact O-CG 3.25Å; T1035-L1039 PolarHBondContact O-N 2.79Å; E1036-L1039 PolarHBondContact O-N 3.36Å; Q1037-L1039 PolarHBondContact O-N 3.42Å; L1039-L1042 PolarHBondContact O-N 3.48Å; L1039-F1043 VanDerWaalsContact O-CB 3.24Å; L1039-F1043 WeakPolarHBondContact O-CB 3.25Å; L1039-F1043 PolarHBondContact O-N 3.11Å
1040	W	93.6	Very high	93.2	Very high	93 Å²	93	51.2 Å²	51.2	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-46.8	173	-77.8	109.3	0	0	0	112.5	F950 F951 E1036 Q1037 W1038 L1042 F1043 V1044	F950-W1040 HydrophobicContact CZ-CH2 4.48Å; F951-W1040 HydrophobicContact CE1-CB 3.9Å; F951-W1040 AromaticContact CE1-CD1 3.72Å; F951-W1040 AromaticContact CE1-CG 3.78Å; F951-W1040 HydrophobicContact CE1-CG 3.78Å; F951-W1040 HydrophobicContact CZ-CB 3.98Å; F951-W1040 HydrophobicContact CZ-CG 4.21Å; E1036-W1040 VanDerWaalsContact O-CD1 3.25Å; E1036-W1040 PolarHBondContact O-N 2.86Å; Q1037-W1040 PolarHBondContact O-N 3.2Å; W1038-W1040 VanDerWaalsContact C-N 3.33Å; W1040-L1042 VanDerWaalsContact C-N 3.28Å; W1040-L1042 PolarHBondContact O-N 2.95Å; W1040-F1043 HydrophobicContact CE3-CD1 4.1Å; W1040-F1043 HydrophobicContact CZ3-CD1 4.08Å; W1040-F1043 HydrophobicContact CZ3-CE1 4.27Å; W1040-F1043 PolarHBondContact O-N 2.96Å; W1040-V1044 WeakPolarHBondContact O-CG2 3.24Å; W1040-V1044 PolarHBondContact O-N 3.11Å
1041	C	94.1	Very high	93.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-42.9	173.5	-65	0	0	0	0	111.8	T975 M978 Q1037 W1038 G1045	T975-C1041 PolarHBondContact OG1-SG 3.42Å; M978-C1041 HydrophobicContact CG-CB 4.41Å; Q1037-C1041 PolarHBondContact O-N 3.41Å; Q1037-C1041 PolarHBondContact O-SG 3.14Å; W1038-C1041 PolarHBondContact O-N 3.14Å; C1041-G1045 PolarHBondContact O-N 3.47Å
1042	L	94.7	Very high	93.5	Very high	58 Å²	58	55.6 Å²	55.6	30%	0.304	29%	0.294	S	S	.	.	H	α-helix	trans	-68.1	-43.2	178.2	-173.9	69.5	0	0	0	112.2	M978 F982 F1014 W1038 L1039 W1040 G1045 V1046	M978-L1042 HydrophobicContact SD-CD1 4.39Å; F982-L1042 HydrophobicContact CE2-CD1 4Å; F982-L1042 HydrophobicContact CZ-CD1 3.94Å; F1014-L1042 HydrophobicContact CE2-CD1 4.18Å; W1038-L1042 WeakPolarHBondContact O-CB 3.45Å; W1038-L1042 PolarHBondContact O-N 3.22Å; L1039-L1042 PolarHBondContact O-N 3.48Å; W1040-L1042 VanDerWaalsContact C-N 3.28Å; W1040-L1042 PolarHBondContact O-N 2.95Å; L1042-G1045 PolarHBondContact O-N 3.24Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.32Å; L1042-V1046 PolarHBondContact O-N 2.87Å
1043	F	95	Very high	93.6	Very high	141 Å²	141	54.6 Å²	54.6	62%	0.618	28%	0.282	S	S	*	.	H	α-helix	trans	-60.9	-47	178.2	172.5	-101.6	0	0	0	111.8	L1039 W1040 G1045 V1046 G1047	L1039-F1043 VanDerWaalsContact O-CB 3.24Å; L1039-F1043 WeakPolarHBondContact O-CB 3.25Å; L1039-F1043 PolarHBondContact O-N 3.11Å; W1040-F1043 HydrophobicContact CE3-CD1 4.1Å; W1040-F1043 HydrophobicContact CZ3-CD1 4.08Å; W1040-F1043 HydrophobicContact CZ3-CE1 4.27Å; W1040-F1043 PolarHBondContact O-N 2.96Å; F1043-G1045 VanDerWaalsContact C-N 3.33Å; F1043-G1045 PolarHBondContact O-N 2.96Å; F1043-V1046 PolarHBondContact O-N 3.43Å; F1043-G1047 PolarHBondContact O-N 3.36Å
1044	V	93.9	Very high	93.5	Very high	28 Å²	28	57.1 Å²	57.1	17%	0.17	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-36.8	177.1	175.1	0	0	0	0	111.4	Y935 I939 T975 M979 W1040 G1047	Y935-V1044 PolarHBondContact OH-O 2.94Å; I939-V1044 HydrophobicContact CB-CG1 4.36Å; I939-V1044 HydrophobicContact CD1-CG1 3.84Å; I939-V1044 HydrophobicContact CG1-CG1 3.94Å; I939-V1044 HydrophobicContact CG2-CG1 3.5Å; I939-V1044 VanDerWaalsContact CG2-CG1 3.5Å; T975-V1044 HydrophobicContact CG2-CB 4.07Å; T975-V1044 HydrophobicContact CG2-CG1 3.69Å; M979-V1044 HydrophobicContact SD-CG1 4.19Å; W1040-V1044 WeakPolarHBondContact O-CG2 3.24Å; W1040-V1044 PolarHBondContact O-N 3.11Å; V1044-G1047 PolarHBondContact O-N 2.94Å
1045	G	94.1	Very high	93.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-50.1	169.8	0	0	0	0	0	113	F982 C1041 L1042 F1043 G1047 E1048	F982-G1045 WeakPolarHBondContact CB-O 3.34Å; F982-G1045 VanDerWaalsContact CD2-O 3.26Å; F982-G1045 WeakPolarHBondContact CD2-O 3.49Å; C1041-G1045 PolarHBondContact O-N 3.47Å; L1042-G1045 PolarHBondContact O-N 3.24Å; F1043-G1045 VanDerWaalsContact C-N 3.33Å; F1043-G1045 PolarHBondContact O-N 2.96Å; G1045-G1047 PolarHBondContact O-N 3.46Å; G1045-E1048 WeakPolarHBondContact O-CB 3.3Å; G1045-E1048 PolarHBondContact O-N 3Å
1046	V	95.5	Very high	93.2	Very high	60 Å²	60	50.7 Å²	50.7	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-29.1	176.7	170.3	0	0	0	0	111.7	F982 L1042 F1043 E1048 L1049	F982-V1046 HydrophobicContact CD2-CG2 4.49Å; F982-V1046 HydrophobicContact CE1-CG2 3.94Å; F982-V1046 HydrophobicContact CE2-CG2 3.84Å; F982-V1046 HydrophobicContact CZ-CG2 3.52Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.32Å; L1042-V1046 PolarHBondContact O-N 2.87Å; F1043-V1046 PolarHBondContact O-N 3.43Å; V1046-E1048 PolarHBondContact O-N 3.27Å; V1046-L1049 WeakPolarHBondContact O-CB 3.29Å; V1046-L1049 PolarHBondContact O-N 2.88Å
1047	G	95.4	Very high	92.9	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-30	171	0	0	0	0	0	114	Y935 F1043 V1044 G1045 L1049 V1050 W1051	Y935-G1047 WeakPolarHBondContact OH-CA 3.38Å; F1043-G1047 PolarHBondContact O-N 3.36Å; V1044-G1047 PolarHBondContact O-N 2.94Å; G1045-G1047 PolarHBondContact O-N 3.46Å; G1047-L1049 VanDerWaalsContact C-N 3.32Å; G1047-L1049 PolarHBondContact O-N 2.97Å; G1047-V1050 PolarHBondContact O-N 2.86Å; G1047-W1051 WeakPolarHBondContact O-CB 3.17Å; G1047-W1051 PolarHBondContact O-N 3.43Å
1048	E	93.9	Very high	92.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-37.2	174.7	-169.2	71.8	-93.3	0	0	112.4	H932 Y935 Q936 F982 N983 N986 G1045 V1046 W1051 G1052	H932-E1048 IonicContact CE1-OE1 2.76Å; H932-E1048 IonicContact CG-OE1 3.72Å; H932-E1048 IonicContact ND1-OE1 2.74Å; H932-E1048 PolarHBondContact ND1-OE1 3.18Å; Y935-E1048 WeakPolarHBondContact CD1-OE1 3.47Å; Y935-E1048 HydrophobicContact CE1-CB 4.18Å; Q936-E1048 WeakPolarHBondContact CG-OE2 3.23Å; Q936-E1048 PolarHBondContact NE2-OE2 3.33Å; F982-E1048 HydrophobicContact CB-CB 4.17Å; N983-E1048 HydrophobicContact CB-CG 4.02Å; N986-E1048 PolarHBondContact ND2-O 2.68Å; G1045-E1048 WeakPolarHBondContact O-CB 3.3Å; G1045-E1048 PolarHBondContact O-N 3Å; V1046-E1048 PolarHBondContact O-N 3.27Å; E1048-W1051 PolarHBondContact O-N 2.92Å; E1048-G1052 PolarHBondContact O-N 2.87Å
1049	L	93.1	Very high	91.8	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.12	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-41.2	175.6	-59.7	-179.8	0	0	0	111.2	F982 I985 F997 V1046 G1047 Q1053	F982-L1049 HydrophobicContact CB-CD2 3.94Å; F982-L1049 HydrophobicContact CB-CG 4Å; F982-L1049 HydrophobicContact CD1-CD1 3.73Å; F982-L1049 HydrophobicContact CD1-CD2 4.2Å; F982-L1049 HydrophobicContact CD1-CG 3.94Å; F982-L1049 HydrophobicContact CE1-CD1 4.29Å; F982-L1049 HydrophobicContact CG-CG 4.26Å; F982-L1049 VanDerWaalsContact O-CD2 3.27Å; F982-L1049 WeakPolarHBondContact O-CD2 3.49Å; I985-L1049 HydrophobicContact CB-CD2 4.14Å; I985-L1049 HydrophobicContact CG2-CD2 4.27Å; F997-L1049 HydrophobicContact CZ-CD1 4.08Å; V1046-L1049 WeakPolarHBondContact O-CB 3.29Å; V1046-L1049 PolarHBondContact O-N 2.88Å; G1047-L1049 VanDerWaalsContact C-N 3.32Å; G1047-L1049 PolarHBondContact O-N 2.97Å; L1049-Q1053 PolarHBondContact O-N 3.3Å
1050	V	93.3	Very high	90.6	Very high	93 Å²	93	49.6 Å²	49.6	56%	0.564	27%	0.268	S	S	*	.	H	α-helix	trans	-69	-42.8	178.4	-175.7	0	0	0	0	110.2	G1047 G1052 Q1053 V1054	G1047-V1050 PolarHBondContact O-N 2.86Å; V1050-G1052 PolarHBondContact O-N 2.86Å; V1050-Q1053 WeakPolarHBondContact O-CB 3.22Å; V1050-Q1053 PolarHBondContact O-N 3.28Å; V1050-Q1053 VanDerWaalsContact O-N 3.13Å; V1050-V1054 PolarHBondContact O-N 3Å
1051	W	94.4	Very high	89.3	Confident	98 Å²	98	50.1 Å²	50.1	37%	0.371	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-37.4	177.1	-166.6	-108.2	0	0	0	112.4	G931 Y935 G1047 E1048 Q1053 V1054 I1055	G931-W1051 PolarHBondContact O-NE1 3.33Å; Y935-W1051 VanDerWaalsContact CB-CD1 3.45Å; Y935-W1051 HydrophobicContact CD2-CB 4.15Å; Y935-W1051 HydrophobicContact CD2-CD2 4.03Å; Y935-W1051 HydrophobicContact CD2-CE3 4.49Å; Y935-W1051 AromaticContact CD2-CG 3.85Å; Y935-W1051 HydrophobicContact CD2-CG 3.85Å; Y935-W1051 HydrophobicContact CE2-CB 4.44Å; Y935-W1051 HydrophobicContact CG-CB 4.35Å; Y935-W1051 AromaticContact CG-CD1 3.89Å; Y935-W1051 HydrophobicContact CG-CG 4.01Å; G1047-W1051 WeakPolarHBondContact O-CB 3.17Å; G1047-W1051 PolarHBondContact O-N 3.43Å; E1048-W1051 PolarHBondContact O-N 2.92Å; W1051-Q1053 VanDerWaalsContact C-N 3.27Å; W1051-Q1053 PolarHBondContact O-N 3.02Å; W1051-V1054 HydrophobicContact CE3-CB 4.39Å; W1051-V1054 HydrophobicContact CE3-CG2 4.38Å; W1051-V1054 WeakPolarHBondContact O-CA 3.26Å; W1051-V1054 WeakPolarHBondContact O-CB 3.48Å; W1051-V1054 PolarHBondContact O-N 3.47Å; W1051-I1055 HydrophobicContact CG-CD1 4.47Å; W1051-I1055 WeakPolarHBondContact O-CG1 3.48Å; W1051-I1055 PolarHBondContact O-N 3.35Å
1052	G	91.8	Very high	87.8	Confident	9 Å²	9	56.8 Å²	56.8	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-54.1	-40	169.7	0	0	0	0	0	113.3	H932 E1048 V1050 I1055 A1056	H932-G1052 VanDerWaalsContact CE1-CA 3.49Å; H932-G1052 WeakPolarHBondContact CE1-CA 3.38Å; E1048-G1052 PolarHBondContact O-N 2.87Å; V1050-G1052 PolarHBondContact O-N 2.86Å; G1052-I1055 PolarHBondContact O-N 3.42Å; G1052-A1056 WeakPolarHBondContact O-CB 3.21Å; G1052-A1056 PolarHBondContact O-N 3.31Å
1053	Q	92.1	Very high	86.4	Confident	62 Å²	62	57 Å²	57	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-38.7	173.8	-60.5	-58.2	-49.2	0	0	112.3	R994 L1049 V1050 W1051 A1056 T1057	R994-Q1053 PolarHBondContact O-NE2 3.36Å; R994-Q1053 PolarHBondContact O-OE1 3.49Å; L1049-Q1053 PolarHBondContact O-N 3.3Å; V1050-Q1053 WeakPolarHBondContact O-CB 3.22Å; V1050-Q1053 PolarHBondContact O-N 3.28Å; V1050-Q1053 VanDerWaalsContact O-N 3.13Å; W1051-Q1053 VanDerWaalsContact C-N 3.27Å; W1051-Q1053 PolarHBondContact O-N 3.02Å; Q1053-A1056 WeakPolarHBondContact O-CB 3.38Å; Q1053-A1056 PolarHBondContact O-N 3.33Å; Q1053-T1057 WeakPolarHBondContact O-CG2 3.47Å; Q1053-T1057 PolarHBondContact O-N 2.82Å; Q1053-T1057 VanDerWaalsContact O-N 3.16Å
1054	V	91.3	Very high	84.6	Confident	60 Å²	60	58.6 Å²	58.6	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-49.8	174.5	-179	0	0	0	0	110.1	V1050 W1051 A1056 T1057	V1050-V1054 PolarHBondContact O-N 3Å; W1051-V1054 HydrophobicContact CE3-CB 4.39Å; W1051-V1054 HydrophobicContact CE3-CG2 4.38Å; W1051-V1054 WeakPolarHBondContact O-CA 3.26Å; W1051-V1054 WeakPolarHBondContact O-CB 3.48Å; W1051-V1054 PolarHBondContact O-N 3.47Å; V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 2.94Å; V1054-T1057 PolarHBondContact O-N 3.46Å; V1054-T1057 PolarHBondContact O-OG1 2.9Å
1055	I	90.5	Very high	82.7	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-55.5	-43.1	175	-62.7	161.3	0	0	0	110.4	K927 W1051 G1052 T1057 I1058	K927-I1055 HydrophobicContact CD-CG2 4.27Å; K927-I1055 HydrophobicContact CG-CG2 4.17Å; K927-I1055 PolarHBondContact NZ-O 3.01Å; W1051-I1055 HydrophobicContact CG-CD1 4.47Å; W1051-I1055 WeakPolarHBondContact O-CG1 3.48Å; W1051-I1055 PolarHBondContact O-N 3.35Å; G1052-I1055 PolarHBondContact O-N 3.42Å; I1055-T1057 PolarHBondContact O-N 3.38Å; I1055-I1058 PolarHBondContact O-N 3.28Å; I1055-I1058 VanDerWaalsContact O-N 3.1Å
1056	A	86.8	Confident	80.9	Confident	27 Å²	27	63.1 Å²	63.1	22%	0.223	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-26.8	177.7	0	0	0	0	0	113.7	G1052 Q1053 V1054	G1052-A1056 WeakPolarHBondContact O-CB 3.21Å; G1052-A1056 PolarHBondContact O-N 3.31Å; Q1053-A1056 WeakPolarHBondContact O-CB 3.38Å; Q1053-A1056 PolarHBondContact O-N 3.33Å; V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 2.94Å
1057	T	86.9	Confident	78.8	Confident	78 Å²	78	66.5 Å²	66.5	48%	0.479	36%	0.364	S	S	.	.	H	α-helix	trans	-73.3	-26.6	173.9	69.6	0	0	0	0	114.1	Q1053 V1054 I1055 P1059	Q1053-T1057 WeakPolarHBondContact O-CG2 3.47Å; Q1053-T1057 PolarHBondContact O-N 2.82Å; Q1053-T1057 VanDerWaalsContact O-N 3.16Å; V1054-T1057 PolarHBondContact O-N 3.46Å; V1054-T1057 PolarHBondContact O-OG1 2.9Å; I1055-T1057 PolarHBondContact O-N 3.38Å; T1057-P1059 WeakPolarHBondContact O-CD 3.41Å
1058	I	83.8	Confident	76.4	Confident	68 Å²	68	73 Å²	73	35%	0.349	39%	0.39	S	S	.	.	S	Bend	trans	-76.2	118.7	-173.6	-59.3	172.3	0	0	0	110.3	K927 I1055 L1063	K927-I1058 PolarHBondContact NZ-O 3Å; I1055-I1058 PolarHBondContact O-N 3.28Å; I1055-I1058 VanDerWaalsContact O-N 3.1Å; I1058-L1063 HydrophobicContact CG2-CD1 4.1Å; I1058-L1063 HydrophobicContact CG2-CG 4.41Å
1059	P	78.1	Confident	74.1	Confident	55 Å²	55	76.2 Å²	76.2	36%	0.357	42%	0.416	S	S	.	.			trans	-78	135.2	-178.3	32.1	-34.7	0	0	0	111.5	T1057 S1061 Q1062	T1057-P1059 WeakPolarHBondContact O-CD 3.41Å; P1059-S1061 PolarHBondContact O-N 3.48Å; P1059-S1061 VanDerWaalsContact O-N 3.07Å; P1059-Q1062 HydrophobicContact CG-CG 3.97Å; P1059-Q1062 PolarHBondContact O-N 3.42Å
1060	T	71.4	Confident	71.6	Confident	64 Å²	64	75.9 Å²	75.9	39%	0.393	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.9	-179.2	47.3	0	0	0	0	114.3	T924 K927 Q1062	T924-T1060 HydrophobicContact CG2-CG2 3.94Å; K927-T1060 HydrophobicContact CD-CG2 4.23Å; T1060-Q1062 VanDerWaalsContact C-N 3.31Å; T1060-Q1062 PolarHBondContact O-N 3.4Å
1061	S	66.1	Low	69.1	Low	104 Å²	104	77 Å²	77	73%	0.727	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.3	175.4	53.3	0	0	0	0	114.2	P1059	P1059-S1061 PolarHBondContact O-N 3.48Å; P1059-S1061 VanDerWaalsContact O-N 3.07Å
1062	Q	61.8	Low	66.6	Low	140 Å²	140	74.9 Å²	74.9	65%	0.654	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-25.8	178.9	-70.2	174.9	-13.9	0	0	112.6	P1059 T1060 K1064	P1059-Q1062 HydrophobicContact CG-CG 3.97Å; P1059-Q1062 PolarHBondContact O-N 3.42Å; T1060-Q1062 VanDerWaalsContact C-N 3.31Å; T1060-Q1062 PolarHBondContact O-N 3.4Å; Q1062-K1064 PolarHBondContact O-N 2.87Å
1063	L	66.3	Low	63.8	Low	63 Å²	63	79.6 Å²	79.6	33%	0.33	46%	0.455	S	S	.	.			trans	-85.4	70.3	-173.9	-65	171.1	0	0	0	111.9	K927 I1058 C1065 L1066	K927-L1063 HydrophobicContact CB-CD1 4.47Å; K927-L1063 HydrophobicContact CD-CD1 3.88Å; K927-L1063 HydrophobicContact CG-CD1 3.74Å; I1058-L1063 HydrophobicContact CG2-CD1 4.1Å; I1058-L1063 HydrophobicContact CG2-CG 4.41Å; L1063-C1065 VanDerWaalsContact C-N 3.27Å; L1063-C1065 PolarHBondContact O-N 2.76Å; L1063-L1066 HydrophobicContact CB-CB 4.36Å; L1063-L1066 HydrophobicContact CB-CD1 3.99Å; L1063-L1066 HydrophobicContact CB-CG 4.08Å; L1063-L1066 HydrophobicContact CD1-CD1 3.76Å; L1063-L1066 HydrophobicContact CG-CD1 4.46Å; L1063-L1066 PolarHBondContact O-N 3.3Å
1064	K	56.3	Low	61	Low	174 Å²	174	79 Å²	79	76%	0.757	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-38	-177.4	-71.9	-176.8	178.6	178.2	0	114.2	Q1062 L1066 K1067	Q1062-K1064 PolarHBondContact O-N 2.87Å; K1064-L1066 VanDerWaalsContact C-N 3.3Å; K1064-L1066 PolarHBondContact O-N 3.37Å; K1064-K1067 WeakPolarHBondContact O-CB 3.27Å; K1064-K1067 PolarHBondContact O-N 3.07Å
1065	C	53.7	Low	58.4	Low	98 Å²	98	84 Å²	84	66%	0.662	48%	0.483	S	S	*	.	H	α-helix	trans	-59.5	-37.7	177.7	-177.3	0	0	0	0	112.6	L1063 K1067 E1068	L1063-C1065 VanDerWaalsContact C-N 3.27Å; L1063-C1065 PolarHBondContact O-N 2.76Å; C1065-K1067 PolarHBondContact O-N 2.94Å; C1065-K1067 VanDerWaalsContact O-N 3.13Å; C1065-E1068 PolarHBondContact O-N 3.39Å
1066	L	57.3	Low	55.9	Low	26 Å²	26	91.4 Å²	91.4	14%	0.136	52%	0.522	C	S	.	.	H	α-helix	trans	-72.6	-2.3	175.8	-55.2	-174.2	0	0	0	113.5	M926 K927 L930 L1063 K1064	M926-L1066 HydrophobicContact CG-CD2 4.12Å; K927-L1066 HydrophobicContact CB-CD1 3.96Å; L930-L1066 HydrophobicContact CD1-CD2 3.71Å; L1063-L1066 HydrophobicContact CB-CB 4.36Å; L1063-L1066 HydrophobicContact CB-CD1 3.99Å; L1063-L1066 HydrophobicContact CB-CG 4.08Å; L1063-L1066 HydrophobicContact CD1-CD1 3.76Å; L1063-L1066 HydrophobicContact CG-CD1 4.46Å; L1063-L1066 PolarHBondContact O-N 3.3Å; K1064-L1066 VanDerWaalsContact C-N 3.3Å; K1064-L1066 PolarHBondContact O-N 3.37Å
1067	K	49.8	Very low	53.5	Low	130 Å²	130	97.9 Å²	97.9	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-75.3	-35	171.6	-162.2	-171.8	177.9	-163	0	110.9	K1064 C1065 H1071	K1064-K1067 WeakPolarHBondContact O-CB 3.27Å; K1064-K1067 PolarHBondContact O-N 3.07Å; C1065-K1067 PolarHBondContact O-N 2.94Å; C1065-K1067 VanDerWaalsContact O-N 3.13Å; K1067-H1071 PolarHBondContact O-CE1 2.92Å; K1067-H1071 VanDerWaalsContact O-CE1 3.22Å; K1067-H1071 PolarHBondContact O-ND1 3.19Å
1068	E	46.3	Very low	51	Low	155 Å²	155	98.7 Å²	98.7	72%	0.724	55%	0.547	S	S	*	.	H	α-helix	trans	-81.5	-53.9	-179.7	-77.6	148.9	-157.7	0	0	110.9	C1065 G1070 H1071	C1065-E1068 PolarHBondContact O-N 3.39Å; E1068-G1070 PolarHBondContact O-N 3.31Å; E1068-H1071 PolarHBondContact O-N 2.93Å; E1068-H1071 VanDerWaalsContact O-N 3.07Å
1069	A	45.1	Very low	48.7	Very low	67 Å²	67	98.8 Å²	98.8	55%	0.554	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-4	176.1	0	0	0	0	0	115.2
1070	G	41	Very low	47	Very low	16 Å²	16	102.8 Å²	102.8	17%	0.165	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-113	20	177.4	0	0	0	0	0	114.4	R923 E1068	R923-G1070 PolarHBondContact NH2-O 3.35Å; E1068-G1070 PolarHBondContact O-N 3.31Å
1071	H	40.3	Very low	45.2	Very low	116 Å²	116	106.5 Å²	106.5	54%	0.537	58%	0.583	S	S	.	*			trans	-117.2	148.6	159	-64.1	90.8	0	0	0	108.8	R923 K1067 E1068	R923-H1071 PolarHBondContact NH2-CE1 3.02Å; R923-H1071 PolarHBondContact NH2-NE2 3.25Å; K1067-H1071 PolarHBondContact O-CE1 2.92Å; K1067-H1071 VanDerWaalsContact O-CE1 3.22Å; K1067-H1071 PolarHBondContact O-ND1 3.19Å; E1068-H1071 PolarHBondContact O-N 2.93Å; E1068-H1071 VanDerWaalsContact O-N 3.07Å
1072	G	41.5	Very low	43.9	Very low	54 Å²	54	106.1 Å²	106.1	56%	0.557	57%	0.569	S	S	*	*			trans	-74.2	-170.4	155.8	0	0	0	0	0	110.6
1073	P	34.1	Very low	42.8	Very low	108 Å²	108	104 Å²	104	70%	0.701	56%	0.562	S	S	*	*	S	Bend	trans	-52	153.9	165.7	24.2	-33.6	0	0	0	111.5	M1078	P1073-M1078 HydrophobicContact CG-SD 4.2Å
1074	G	33.4	Very low	41.6	Very low	50 Å²	50	103.9 Å²	103.9	52%	0.515	57%	0.57	S	S	.	*			trans	-63.4	154.1	-171.9	0	0	0	0	0	113.3	D1076	G1074-D1076 PolarHBondContact O-N 3.1Å
1075	K	36.4	Very low	40.6	Very low	165 Å²	165	101.9 Å²	101.9	72%	0.717	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	2.5	-179.8	-104.6	-159.5	172.9	-159.6	0	114.8	E784	E784-K1075 PolarHBondContact O-NZ 2.8Å
1076	D	36.7	Very low	39.8	Very low	162 Å²	162	97.8 Å²	97.8	87%	0.866	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-3.2	-171.5	-58.9	-34.5	0	0	0	113.9	G1074	G1074-D1076 PolarHBondContact O-N 3.1Å
1077	E	37.8	Very low	39	Very low	163 Å²	163	103.4 Å²	103.4	76%	0.762	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-26.5	179.2	-68.6	-176.8	141.3	0	0	114.8	T1079	E1077-T1079 PolarHBondContact O-N 2.83Å
1078	M	33.8	Very low	38.4	Very low	94 Å²	94	104.1 Å²	104.1	46%	0.463	57%	0.568	S	S	.	*			trans	-77.4	106.8	177.7	-84.7	175.1	55.9	0	0	112.9	P1073 E1082 L1083	P1073-M1078 HydrophobicContact CG-SD 4.2Å; M1078-E1082 WeakPolarHBondContact CA-OE2 3.32Å; M1078-E1082 WeakPolarHBondContact CG-OE2 3.36Å; M1078-L1083 HydrophobicContact CE-CD2 4.23Å; M1078-L1083 HydrophobicContact CE-CG 4.33Å
1079	T	36.2	Very low	38	Very low	70 Å²	70	103.6 Å²	103.6	43%	0.429	57%	0.566	S	S	.	*			trans	-84.6	168.6	165.7	59.9	0	0	0	0	111.8	E1077 E1081 E1082 L1083	E1077-T1079 PolarHBondContact O-N 2.83Å; T1079-E1081 PolarHBondContact O-N 3.16Å; T1079-E1081 PolarHBondContact OG1-N 2.77Å; T1079-E1082 PolarHBondContact O-N 3.26Å; T1079-E1082 PolarHBondContact OG1-N 2.8Å; T1079-L1083 PolarHBondContact O-N 3.25Å
1080	D	40.8	Very low	38	Very low	139 Å²	139	102.7 Å²	102.7	74%	0.743	55%	0.551	S	S	*	*	H	α-helix	trans	-62.3	-20.9	170	-71.6	-50.9	0	0	0	112.3	L1083 A1084	D1080-L1083 PolarHBondContact O-N 3.44Å; D1080-A1084 PolarHBondContact O-N 3.44Å; D1080-A1084 VanDerWaalsContact O-N 3.16Å
1081	E	35.4	Very low	38	Very low	143 Å²	143	104 Å²	104	67%	0.668	55%	0.554	S	S	*	*	H	α-helix	trans	-69.5	-42.1	173.8	-61.6	168.7	138.4	0	0	110.8	T1079 L1083 A1084 E1085	T1079-E1081 PolarHBondContact O-N 3.16Å; T1079-E1081 PolarHBondContact OG1-N 2.77Å; E1081-L1083 PolarHBondContact O-N 3.04Å; E1081-A1084 PolarHBondContact O-N 2.87Å; E1081-A1084 VanDerWaalsContact O-N 3.11Å; E1081-E1085 WeakPolarHBondContact O-CG 3.45Å; E1081-E1085 PolarHBondContact O-N 3.06Å
1082	E	37.6	Very low	37.9	Very low	96 Å²	96	103.1 Å²	103.1	45%	0.449	55%	0.55	S	S	.	*	H	α-helix	trans	-64.5	-24	172.6	-70.3	-157.7	156.9	0	0	113.2	M1078 T1079 G1086	M1078-E1082 WeakPolarHBondContact CA-OE2 3.32Å; M1078-E1082 WeakPolarHBondContact CG-OE2 3.36Å; T1079-E1082 PolarHBondContact O-N 3.26Å; T1079-E1082 PolarHBondContact OG1-N 2.8Å; E1082-G1086 WeakPolarHBondContact O-CA 3.38Å; E1082-G1086 PolarHBondContact O-N 3.24Å
1083	L	39.1	Very low	37.8	Very low	96 Å²	96	102.3 Å²	102.3	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-74.7	-38.1	172.3	-81.6	167.6	0	0	0	111.9	M1078 T1079 D1080 E1081 G1086 E1087	M1078-L1083 HydrophobicContact CE-CD2 4.23Å; M1078-L1083 HydrophobicContact CE-CG 4.33Å; T1079-L1083 PolarHBondContact O-N 3.25Å; D1080-L1083 PolarHBondContact O-N 3.44Å; E1081-L1083 PolarHBondContact O-N 3.04Å; L1083-G1086 PolarHBondContact O-N 3.18Å; L1083-E1087 PolarHBondContact O-N 3.38Å; L1083-E1087 VanDerWaalsContact O-N 3.11Å
1084	A	41.6	Very low	38.1	Very low	59 Å²	59	100.9 Å²	100.9	49%	0.488	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-47.7	172.9	0	0	0	0	0	111.5	D1080 E1081 G1086 E1087 E1088	D1080-A1084 PolarHBondContact O-N 3.44Å; D1080-A1084 VanDerWaalsContact O-N 3.16Å; E1081-A1084 PolarHBondContact O-N 2.87Å; E1081-A1084 VanDerWaalsContact O-N 3.11Å; A1084-G1086 PolarHBondContact O-N 2.93Å; A1084-E1087 PolarHBondContact O-N 3.42Å; A1084-E1087 VanDerWaalsContact O-N 3.08Å; A1084-E1088 PolarHBondContact O-N 2.86Å
1085	E	35.4	Very low	38.6	Very low	133 Å²	133	104.5 Å²	104.5	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-59.5	-33	171.4	-69.8	-170.1	161	0	0	111.5	E1081 E1088 E1089	E1081-E1085 WeakPolarHBondContact O-CG 3.45Å; E1081-E1085 PolarHBondContact O-N 3.06Å; E1085-E1088 CarbonylContact O-C 3.57Å; E1085-E1088 PolarHBondContact O-N 3.12Å; E1085-E1089 WeakPolarHBondContact O-CB 3.46Å; E1085-E1089 PolarHBondContact O-N 3Å
1086	G	35.9	Very low	38.8	Very low	12 Å²	12	100.9 Å²	100.9	12%	0.124	51%	0.506	C	S	.	.	H	α-helix	trans	-66.8	-32.9	173.4	0	0	0	0	0	114.4	E1082 L1083 A1084 I1090	E1082-G1086 WeakPolarHBondContact O-CA 3.38Å; E1082-G1086 PolarHBondContact O-N 3.24Å; L1083-G1086 PolarHBondContact O-N 3.18Å; A1084-G1086 PolarHBondContact O-N 2.93Å; G1086-I1090 WeakPolarHBondContact O-CD1 3.38Å; G1086-I1090 VanDerWaalsContact O-CG1 3.25Å; G1086-I1090 WeakPolarHBondContact O-CG1 3.25Å; G1086-I1090 PolarHBondContact O-N 3.2Å
1087	E	40.4	Very low	38.9	Very low	143 Å²	143	98.9 Å²	98.9	67%	0.668	50%	0.495	S	S	*	.	H	α-helix	trans	-76	-35.8	170	-69.2	-155.3	151.1	0	0	111.8	L1083 A1084 I1090 D1091	L1083-E1087 PolarHBondContact O-N 3.38Å; L1083-E1087 VanDerWaalsContact O-N 3.11Å; A1084-E1087 PolarHBondContact O-N 3.42Å; A1084-E1087 VanDerWaalsContact O-N 3.08Å; E1087-I1090 PolarHBondContact O-N 3.05Å; E1087-D1091 PolarHBondContact O-N 3.02Å
1088	E	38.1	Very low	39.1	Very low	145 Å²	145	98.1 Å²	98.1	68%	0.678	49%	0.485	S	S	*	.	H	α-helix	trans	-67.6	-35.5	172.6	-64.4	-141.5	148.5	0	0	112.5	A1084 E1085 I1090 D1091 H1092	A1084-E1088 PolarHBondContact O-N 2.86Å; E1085-E1088 CarbonylContact O-C 3.57Å; E1085-E1088 PolarHBondContact O-N 3.12Å; E1088-I1090 VanDerWaalsContact C-N 3.33Å; E1088-D1091 PolarHBondContact O-N 3.06Å; E1088-H1092 WeakPolarHBondContact O-CB 3.14Å; E1088-H1092 PolarHBondContact O-N 3.5Å
1089	E	37.3	Very low	39.3	Very low	144 Å²	144	100.5 Å²	100.5	67%	0.673	49%	0.489	S	S	*	.	H	α-helix	trans	-62.1	-39.2	170	-96.1	-143.9	130.4	0	0	111.3	E1085 H1092 A1093	E1085-E1089 WeakPolarHBondContact O-CB 3.46Å; E1085-E1089 PolarHBondContact O-N 3Å; E1089-H1092 PolarHBondContact O-N 3.07Å; E1089-A1093 VanDerWaalsContact O-CB 3.23Å; E1089-A1093 WeakPolarHBondContact O-CB 3.39Å; E1089-A1093 PolarHBondContact O-N 3.33Å
1090	I	44.3	Very low	39.5	Very low	48 Å²	48	99 Å²	99	25%	0.246	49%	0.487	C	S	.	.	H	α-helix	trans	-69.3	-44.9	177.5	-71.6	165.9	0	0	0	110.4	T365 G1086 E1087 E1088 H1092 A1093 E1094	T365-I1090 HydrophobicContact CG2-CG2 4.4Å; G1086-I1090 WeakPolarHBondContact O-CD1 3.38Å; G1086-I1090 VanDerWaalsContact O-CG1 3.25Å; G1086-I1090 WeakPolarHBondContact O-CG1 3.25Å; G1086-I1090 PolarHBondContact O-N 3.2Å; E1087-I1090 PolarHBondContact O-N 3.05Å; E1088-I1090 VanDerWaalsContact C-N 3.33Å; I1090-H1092 VanDerWaalsContact C-N 3.32Å; I1090-A1093 PolarHBondContact O-N 2.93Å; I1090-E1094 WeakPolarHBondContact O-CB 3.27Å; I1090-E1094 PolarHBondContact O-N 3.27Å
1091	D	42.5	Very low	39.5	Very low	43 Å²	43	96.1 Å²	96.1	23%	0.23	47%	0.469	C	S	.	.	H	α-helix	trans	-66.6	-34.4	174.9	-160.9	-13.7	0	0	0	110.4	K354 E1087 E1088 R1095	K354-D1091 IonicContact NZ-OD2 2.87Å; K354-D1091 PolarHBondContact NZ-OD2 3.03Å; K354-D1091 VanDerWaalsContact NZ-OD2 3.17Å; E1087-D1091 PolarHBondContact O-N 3.02Å; E1088-D1091 PolarHBondContact O-N 3.06Å; D1091-R1095 WeakPolarHBondContact O-CB 3.31Å; D1091-R1095 WeakPolarHBondContact O-CD 3.46Å; D1091-R1095 WeakPolarHBondContact O-CG 3.34Å; D1091-R1095 PolarHBondContact O-N 2.74Å; D1091-R1095 PolarHBondContact O-NE 2.81Å; D1091-R1095 IonicContact OD1-CZ 3.55Å; D1091-R1095 IonicContact OD1-NE 3.97Å; D1091-R1095 PolarHBondContact OD1-NE 2.75Å; D1091-R1095 IonicContact OD1-NH2 3.59Å; D1091-R1095 PolarHBondContact OD1-NH2 3.08Å; D1091-R1095 IonicContact OD2-CZ 3.82Å; D1091-R1095 IonicContact OD2-NE 3.9Å; D1091-R1095 IonicContact OD2-NH2 2.89Å; D1091-R1095 PolarHBondContact OD2-NH2 3.14Å
1092	H	37.9	Very low	39.8	Very low	98 Å²	98	94 Å²	94	45%	0.454	46%	0.461	S	S	.	.	H	α-helix	trans	-67.7	-40.3	171.9	-165.4	-75.2	0	0	0	112	E1088 E1089 I1090 R1095 E1096	E1088-H1092 WeakPolarHBondContact O-CB 3.14Å; E1088-H1092 PolarHBondContact O-N 3.5Å; E1089-H1092 PolarHBondContact O-N 3.07Å; I1090-H1092 VanDerWaalsContact C-N 3.32Å; H1092-R1095 CarbonylContact O-C 3.41Å; H1092-R1095 PolarHBondContact O-N 2.93Å; H1092-E1096 VanDerWaalsContact CE1-CG 3.48Å; H1092-E1096 WeakPolarHBondContact CE1-CG 3.48Å; H1092-E1096 IonicContact CE1-OE1 2.52Å; H1092-E1096 WeakPolarHBondContact ND1-CG 3.41Å; H1092-E1096 WeakPolarHBondContact O-CB 3.48Å; H1092-E1096 VanDerWaalsContact O-CG 3.23Å; H1092-E1096 WeakPolarHBondContact O-CG 3.25Å; H1092-E1096 PolarHBondContact O-N 3.38Å
1093	A	38.3	Very low	40	Very low	38 Å²	38	95.1 Å²	95.1	31%	0.314	47%	0.469	S	S	.	.	H	α-helix	trans	-67.2	-39.3	175.2	0	0	0	0	0	111.9	E1089 I1090 R1095 E1096 L1097	E1089-A1093 VanDerWaalsContact O-CB 3.23Å; E1089-A1093 WeakPolarHBondContact O-CB 3.39Å; E1089-A1093 PolarHBondContact O-N 3.33Å; I1090-A1093 PolarHBondContact O-N 2.93Å; A1093-R1095 VanDerWaalsContact C-N 3.33Å; A1093-E1096 PolarHBondContact O-N 3.02Å; A1093-L1097 PolarHBondContact O-N 3.26Å
1094	E	41.9	Very low	40.3	Very low	77 Å²	77	97.9 Å²	97.9	36%	0.36	47%	0.473	S	S	.	.	H	α-helix	trans	-64.8	-38.3	173.7	-151	-171	125.2	0	0	110.8	K357 I1090 R1098	K357-E1094 IonicContact NZ-OE2 2.76Å; K357-E1094 PolarHBondContact NZ-OE2 2.93Å; I1090-E1094 WeakPolarHBondContact O-CB 3.27Å; I1090-E1094 PolarHBondContact O-N 3.27Å; E1094-R1098 WeakPolarHBondContact O-CG 3.23Å; E1094-R1098 PolarHBondContact O-N 3.46Å; E1094-R1098 IonicContact OE1-CZ 3.78Å; E1094-R1098 IonicContact OE1-NE 2.87Å; E1094-R1098 IonicContact OE1-NH2 3.82Å; E1094-R1098 PolarHBondContact OE1-NH2 3.31Å
1095	R	42.5	Very low	40.5	Very low	127 Å²	127	101.4 Å²	101.4	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-69.9	-33.8	171.4	-68	165.4	-153.5	176.6	4.4	113.2	D1091 H1092 A1093 R1098 R1099	D1091-R1095 WeakPolarHBondContact O-CB 3.31Å; D1091-R1095 WeakPolarHBondContact O-CD 3.46Å; D1091-R1095 WeakPolarHBondContact O-CG 3.34Å; D1091-R1095 PolarHBondContact O-N 2.74Å; D1091-R1095 PolarHBondContact O-NE 2.81Å; D1091-R1095 IonicContact OD1-CZ 3.55Å; D1091-R1095 IonicContact OD1-NE 3.97Å; D1091-R1095 PolarHBondContact OD1-NE 2.75Å; D1091-R1095 IonicContact OD1-NH2 3.59Å; D1091-R1095 PolarHBondContact OD1-NH2 3.08Å; D1091-R1095 IonicContact OD2-CZ 3.82Å; D1091-R1095 IonicContact OD2-NE 3.9Å; D1091-R1095 IonicContact OD2-NH2 2.89Å; D1091-R1095 PolarHBondContact OD2-NH2 3.14Å; H1092-R1095 CarbonylContact O-C 3.41Å; H1092-R1095 PolarHBondContact O-N 2.93Å; A1093-R1095 VanDerWaalsContact C-N 3.33Å; R1095-R1098 PolarHBondContact O-N 3.15Å; R1095-R1099 WeakPolarHBondContact O-CB 3.04Å; R1095-R1099 WeakPolarHBondContact O-CG 3.18Å; R1095-R1099 PolarHBondContact O-N 2.86Å
1096	E	40.8	Very low	40.9	Very low	89 Å²	89	103.7 Å²	103.7	42%	0.416	48%	0.481	S	S	.	.	H	α-helix	trans	-70.2	-38.4	176.1	-78.3	-77.6	110.5	0	0	111.2	H1092 A1093 R1099 G1100	H1092-E1096 VanDerWaalsContact CE1-CG 3.48Å; H1092-E1096 WeakPolarHBondContact CE1-CG 3.48Å; H1092-E1096 IonicContact CE1-OE1 2.52Å; H1092-E1096 WeakPolarHBondContact ND1-CG 3.41Å; H1092-E1096 WeakPolarHBondContact O-CB 3.48Å; H1092-E1096 VanDerWaalsContact O-CG 3.23Å; H1092-E1096 WeakPolarHBondContact O-CG 3.25Å; H1092-E1096 PolarHBondContact O-N 3.38Å; A1093-E1096 PolarHBondContact O-N 3.02Å; E1096-R1099 CarbonylContact O-C 3.51Å; E1096-R1099 WeakPolarHBondContact O-CB 3.42Å; E1096-R1099 PolarHBondContact O-N 3.49Å; E1096-R1099 WeakPolarHBondContact OE1-CD 3.24Å; E1096-R1099 IonicContact OE1-CZ 2.82Å; E1096-R1099 IonicContact OE1-NE 2.97Å; E1096-R1099 IonicContact OE1-NH1 3.62Å; E1096-R1099 PolarHBondContact OE1-NH1 3.39Å; E1096-G1100 PolarHBondContact O-N 2.8Å
1097	L	40.3	Very low	41.7	Very low	119 Å²	119	104.4 Å²	104.4	62%	0.623	49%	0.489	S	S	*	.	H	α-helix	trans	-59.8	-47.3	169.2	-100.5	110.9	0	0	0	111.5	A1093 R1099 G1100 Q1101	A1093-L1097 PolarHBondContact O-N 3.26Å; L1097-R1099 VanDerWaalsContact C-N 3.35Å; L1097-R1099 PolarHBondContact O-N 3.29Å; L1097-G1100 WeakPolarHBondContact O-CA 3.43Å; L1097-G1100 PolarHBondContact O-N 3.02Å; L1097-G1100 VanDerWaalsContact O-N 3.11Å; L1097-Q1101 PolarHBondContact O-N 2.8Å
1098	R	41.5	Very low	42	Very low	147 Å²	147	101.1 Å²	101.1	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-63.7	-37.8	175.6	-67	177.6	-164.5	-133	8.9	112.1	E1094 R1095 G1100 Q1101 I1102	E1094-R1098 WeakPolarHBondContact O-CG 3.23Å; E1094-R1098 PolarHBondContact O-N 3.46Å; E1094-R1098 IonicContact OE1-CZ 3.78Å; E1094-R1098 IonicContact OE1-NE 2.87Å; E1094-R1098 IonicContact OE1-NH2 3.82Å; E1094-R1098 PolarHBondContact OE1-NH2 3.31Å; R1095-R1098 PolarHBondContact O-N 3.15Å; R1098-G1100 VanDerWaalsContact C-N 3.34Å; R1098-Q1101 PolarHBondContact O-N 3.1Å; R1098-I1102 WeakPolarHBondContact O-CD1 3.35Å; R1098-I1102 VanDerWaalsContact O-CG1 3.24Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.28Å; R1098-I1102 PolarHBondContact O-N 3.17Å
1099	R	37.2	Very low	42.5	Very low	145 Å²	145	98.7 Å²	98.7	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-39.2	170.4	-85.8	176.5	161.8	-177.1	-1.1	111.9	R1095 E1096 L1097 I1102 L1103	R1095-R1099 WeakPolarHBondContact O-CB 3.04Å; R1095-R1099 WeakPolarHBondContact O-CG 3.18Å; R1095-R1099 PolarHBondContact O-N 2.86Å; E1096-R1099 CarbonylContact O-C 3.51Å; E1096-R1099 WeakPolarHBondContact O-CB 3.42Å; E1096-R1099 PolarHBondContact O-N 3.49Å; E1096-R1099 WeakPolarHBondContact OE1-CD 3.24Å; E1096-R1099 IonicContact OE1-CZ 2.82Å; E1096-R1099 IonicContact OE1-NE 2.97Å; E1096-R1099 IonicContact OE1-NH1 3.62Å; E1096-R1099 PolarHBondContact OE1-NH1 3.39Å; L1097-R1099 VanDerWaalsContact C-N 3.35Å; L1097-R1099 PolarHBondContact O-N 3.29Å; R1099-I1102 PolarHBondContact O-N 3.41Å; R1099-L1103 WeakPolarHBondContact O-CB 3.44Å; R1099-L1103 VanDerWaalsContact O-CG 3.27Å; R1099-L1103 WeakPolarHBondContact O-CG 3.47Å; R1099-L1103 PolarHBondContact O-N 3.39Å
1100	G	41.2	Very low	43.1	Very low	37 Å²	37	100.3 Å²	100.3	38%	0.381	47%	0.467	S	S	.	.	H	α-helix	trans	-57.4	-51.5	173.8	0	0	0	0	0	111	E1096 L1097 R1098 I1102 L1103 W1104	E1096-G1100 PolarHBondContact O-N 2.8Å; L1097-G1100 WeakPolarHBondContact O-CA 3.43Å; L1097-G1100 PolarHBondContact O-N 3.02Å; L1097-G1100 VanDerWaalsContact O-N 3.11Å; R1098-G1100 VanDerWaalsContact C-N 3.34Å; G1100-I1102 PolarHBondContact O-N 2.91Å; G1100-L1103 PolarHBondContact O-N 3.42Å; G1100-W1104 WeakPolarHBondContact O-CB 3.33Å; G1100-W1104 PolarHBondContact O-N 2.97Å
1101	Q	40.7	Very low	43.7	Very low	80 Å²	80	102.4 Å²	102.4	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-56.5	-47.4	172.9	-69.1	174.5	-31.6	0	0	111.9	V109 L1097 R1098 L1103 W1104 F1105	V109-Q1101 HydrophobicContact CG2-CG 4.45Å; L1097-Q1101 PolarHBondContact O-N 2.8Å; R1098-Q1101 PolarHBondContact O-N 3.1Å; Q1101-L1103 PolarHBondContact O-N 2.9Å; Q1101-W1104 PolarHBondContact O-N 3.12Å; Q1101-W1104 VanDerWaalsContact O-N 3.16Å; Q1101-F1105 VanDerWaalsContact O-CD2 3.27Å; Q1101-F1105 WeakPolarHBondContact O-CD2 3.41Å; Q1101-F1105 PolarHBondContact O-N 3.11Å
1102	I	42.1	Very low	44.2	Very low	98 Å²	98	106.6 Å²	106.6	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-39.7	178.4	-69.1	162.8	0	0	0	112	R1098 R1099 G1100 W1104 R1106	R1098-I1102 WeakPolarHBondContact O-CD1 3.35Å; R1098-I1102 VanDerWaalsContact O-CG1 3.24Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.28Å; R1098-I1102 PolarHBondContact O-N 3.17Å; R1099-I1102 PolarHBondContact O-N 3.41Å; G1100-I1102 PolarHBondContact O-N 2.91Å; I1102-W1104 VanDerWaalsContact C-N 3.35Å; I1102-R1106 VanDerWaalsContact O-CG 3.25Å; I1102-R1106 WeakPolarHBondContact O-CG 3.42Å; I1102-R1106 PolarHBondContact O-N 2.91Å
1103	L	42.2	Very low	45.1	Very low	119 Å²	119	105.4 Å²	105.4	62%	0.623	50%	0.496	S	S	*	.	H	α-helix	trans	-67.3	-36.7	174.6	-75.9	166.5	0	0	0	111.2	R1099 G1100 Q1101 R1106 G1107	R1099-L1103 WeakPolarHBondContact O-CB 3.44Å; R1099-L1103 VanDerWaalsContact O-CG 3.27Å; R1099-L1103 WeakPolarHBondContact O-CG 3.47Å; R1099-L1103 PolarHBondContact O-N 3.39Å; G1100-L1103 PolarHBondContact O-N 3.42Å; Q1101-L1103 PolarHBondContact O-N 2.9Å; L1103-R1106 CarbonylContact O-C 3.53Å; L1103-R1106 PolarHBondContact O-N 3.36Å; L1103-G1107 PolarHBondContact O-N 3.41Å
1104	W	44.3	Very low	46	Very low	154 Å²	154	109.2 Å²	109.2	58%	0.583	51%	0.507	S	S	*	.	H	α-helix	trans	-69.3	-42.2	176.7	-144.7	78.4	0	0	0	112.1	G1100 Q1101 I1102 R1106 G1107 L1108	G1100-W1104 WeakPolarHBondContact O-CB 3.33Å; G1100-W1104 PolarHBondContact O-N 2.97Å; Q1101-W1104 PolarHBondContact O-N 3.12Å; Q1101-W1104 VanDerWaalsContact O-N 3.16Å; I1102-W1104 VanDerWaalsContact C-N 3.35Å; W1104-R1106 VanDerWaalsContact C-N 3.29Å; W1104-R1106 PolarHBondContact O-N 3.24Å; W1104-G1107 CarbonylContact O-C 3.54Å; W1104-G1107 WeakPolarHBondContact O-CA 3.41Å; W1104-G1107 PolarHBondContact O-N 3.23Å; W1104-L1108 HydrophobicContact CE3-CD1 3.68Å; W1104-L1108 HydrophobicContact CE3-CG 4.06Å; W1104-L1108 HydrophobicContact CH2-CD1 4.48Å; W1104-L1108 HydrophobicContact CZ3-CD1 3.56Å; W1104-L1108 HydrophobicContact CZ3-CD2 4.42Å; W1104-L1108 HydrophobicContact CZ3-CG 4.05Å; W1104-L1108 PolarHBondContact O-N 2.91Å
1105	F	44.9	Very low	46.5	Very low	134 Å²	134	111.9 Å²	111.9	59%	0.588	52%	0.521	S	S	*	.	H	α-helix	trans	-59.3	-38.4	169.4	-84.1	-67.3	0	0	0	112.4	Q1101 G1107 N1109	Q1101-F1105 VanDerWaalsContact O-CD2 3.27Å; Q1101-F1105 WeakPolarHBondContact O-CD2 3.41Å; Q1101-F1105 PolarHBondContact O-N 3.11Å; F1105-G1107 VanDerWaalsContact C-N 3.33Å; F1105-N1109 WeakPolarHBondContact O-CB 3.21Å; F1105-N1109 VanDerWaalsContact O-CG 3.28Å; F1105-N1109 PolarHBondContact O-N 2.79Å; F1105-N1109 PolarHBondContact O-ND2 3.12Å
1106	R	45.2	Very low	46.9	Very low	180 Å²	180	111.8 Å²	111.8	68%	0.679	53%	0.526	S	S	*	.	H	α-helix	trans	-71.4	-28.7	173.9	-68.2	172.1	84.5	150.5	5.6	112.3	I1102 L1103 W1104 R1110	I1102-R1106 VanDerWaalsContact O-CG 3.25Å; I1102-R1106 WeakPolarHBondContact O-CG 3.42Å; I1102-R1106 PolarHBondContact O-N 2.91Å; L1103-R1106 CarbonylContact O-C 3.53Å; L1103-R1106 PolarHBondContact O-N 3.36Å; W1104-R1106 VanDerWaalsContact C-N 3.29Å; W1104-R1106 PolarHBondContact O-N 3.24Å; R1106-R1110 VanDerWaalsContact O-CB 3.28Å; R1106-R1110 WeakPolarHBondContact O-CB 3.38Å; R1106-R1110 PolarHBondContact O-N 2.05Å
1107	G	52.2	Low	47.9	Very low	28 Å²	28	111.6 Å²	111.6	29%	0.289	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-52.6	170	0	0	0	0	0	112.1	L1103 W1104 F1105 N1109 R1110 I1111	L1103-G1107 PolarHBondContact O-N 3.41Å; W1104-G1107 CarbonylContact O-C 3.54Å; W1104-G1107 WeakPolarHBondContact O-CA 3.41Å; W1104-G1107 PolarHBondContact O-N 3.23Å; F1105-G1107 VanDerWaalsContact C-N 3.33Å; G1107-N1109 PolarHBondContact O-N 3.38Å; G1107-R1110 CarbonylContact O-C 3.45Å; G1107-R1110 WeakPolarHBondContact O-CA 3.47Å; G1107-R1110 WeakPolarHBondContact O-CB 3.15Å; G1107-R1110 PolarHBondContact O-N 3.06Å; G1107-R1110 VanDerWaalsContact O-N 3.08Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.14Å; G1107-I1111 PolarHBondContact O-N 2.77Å
1108	L	47.8	Very low	49	Very low	73 Å²	73	109.9 Å²	109.9	38%	0.382	53%	0.525	S	S	.	.	H	α-helix	trans	-55.7	-51.2	175.4	-82.2	175.6	0	0	0	112.1	W1104 R1110 I1111 Q1112	W1104-L1108 HydrophobicContact CE3-CD1 3.68Å; W1104-L1108 HydrophobicContact CE3-CG 4.06Å; W1104-L1108 HydrophobicContact CH2-CD1 4.48Å; W1104-L1108 HydrophobicContact CZ3-CD1 3.56Å; W1104-L1108 HydrophobicContact CZ3-CD2 4.42Å; W1104-L1108 HydrophobicContact CZ3-CG 4.05Å; W1104-L1108 PolarHBondContact O-N 2.91Å; L1108-R1110 PolarHBondContact O-N 3.44Å; L1108-R1110 VanDerWaalsContact O-N 3.17Å; L1108-I1111 PolarHBondContact O-N 3.2Å; L1108-I1111 VanDerWaalsContact O-N 3.1Å; L1108-Q1112 WeakPolarHBondContact O-CB 3.16Å; L1108-Q1112 PolarHBondContact O-N 3.3Å
1109	N	47.9	Very low	49.3	Very low	95 Å²	95	105.6 Å²	105.6	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-59.5	-30	177.6	-72.4	-17.8	0	0	0	112.6	F1105 G1107 T1113	F1105-N1109 WeakPolarHBondContact O-CB 3.21Å; F1105-N1109 VanDerWaalsContact O-CG 3.28Å; F1105-N1109 PolarHBondContact O-N 2.79Å; F1105-N1109 PolarHBondContact O-ND2 3.12Å; G1107-N1109 PolarHBondContact O-N 3.38Å; N1109-T1113 PolarHBondContact O-N 3.5Å; N1109-T1113 VanDerWaalsContact O-N 3.13Å; N1109-T1113 PolarHBondContact O-OG1 2.8Å
1110	R	49.1	Very low	50.4	Low	177 Å²	177	102.6 Å²	102.6	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-78.4	-35.4	176.5	-169.8	176.9	-174.1	179.5	1.6	112.6	R1106 G1107 L1108 T1113 Q1114	R1106-R1110 VanDerWaalsContact O-CB 3.28Å; R1106-R1110 WeakPolarHBondContact O-CB 3.38Å; R1106-R1110 PolarHBondContact O-N 2.05Å; G1107-R1110 CarbonylContact O-C 3.45Å; G1107-R1110 WeakPolarHBondContact O-CA 3.47Å; G1107-R1110 WeakPolarHBondContact O-CB 3.15Å; G1107-R1110 PolarHBondContact O-N 3.06Å; G1107-R1110 VanDerWaalsContact O-N 3.08Å; L1108-R1110 PolarHBondContact O-N 3.44Å; L1108-R1110 VanDerWaalsContact O-N 3.17Å; R1110-T1113 WeakPolarHBondContact CA-OG1 3.44Å; R1110-T1113 PolarHBondContact O-OG1 3.13Å; R1110-Q1114 WeakPolarHBondContact O-CB 3.41Å; R1110-Q1114 WeakPolarHBondContact O-CG 3.45Å; R1110-Q1114 PolarHBondContact O-N 2.92Å; R1110-Q1114 VanDerWaalsContact O-N 3.08Å
1111	I	57.4	Low	51.1	Low	93 Å²	93	108.3 Å²	108.3	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-43.1	170.8	-68.3	166.4	0	0	0	109.6	G1107 L1108 T1113 Q1114 M1115	G1107-I1111 WeakPolarHBondContact O-CG1 3.14Å; G1107-I1111 PolarHBondContact O-N 2.77Å; L1108-I1111 PolarHBondContact O-N 3.2Å; L1108-I1111 VanDerWaalsContact O-N 3.1Å; I1111-T1113 PolarHBondContact O-N 3.08Å; I1111-Q1114 CarbonylContact O-C 3.54Å; I1111-Q1114 PolarHBondContact O-N 3.46Å; I1111-Q1114 VanDerWaalsContact O-N 3.12Å; I1111-M1115 HydrophobicContact CG2-CG 4.34Å; I1111-M1115 HydrophobicContact CG2-SD 4.21Å; I1111-M1115 WeakPolarHBondContact O-CG 3.33Å; I1111-M1115 PolarHBondContact O-N 3.21Å
1112	Q	53.4	Low	51.6	Low	131 Å²	131	112.5 Å²	112.5	61%	0.612	55%	0.547	S	S	*	.	H	α-helix	trans	-60.7	-47.3	179.4	-164.7	173	25.5	0	0	111.6	L1108 Q1114 M1115 E1116	L1108-Q1112 WeakPolarHBondContact O-CB 3.16Å; L1108-Q1112 PolarHBondContact O-N 3.3Å; Q1112-Q1114 VanDerWaalsContact C-N 3.34Å; Q1112-Q1114 PolarHBondContact O-N 3.34Å; Q1112-M1115 PolarHBondContact O-N 2.79Å; Q1112-E1116 WeakPolarHBondContact O-CB 3.44Å; Q1112-E1116 PolarHBondContact O-N 2.95Å
1113	T	57	Low	52.1	Low	73 Å²	73	118.3 Å²	118.3	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-66.2	-31.4	173.3	40.3	0	0	0	0	113.3	N1109 R1110 I1111 V1117	N1109-T1113 PolarHBondContact O-N 3.5Å; N1109-T1113 VanDerWaalsContact O-N 3.13Å; N1109-T1113 PolarHBondContact O-OG1 2.8Å; R1110-T1113 WeakPolarHBondContact CA-OG1 3.44Å; R1110-T1113 PolarHBondContact O-OG1 3.13Å; I1111-T1113 PolarHBondContact O-N 3.08Å; T1113-V1117 WeakPolarHBondContact O-CG2 3.44Å; T1113-V1117 PolarHBondContact O-N 3.29Å; T1113-V1117 VanDerWaalsContact O-N 3.08Å
1114	Q	56.6	Low	52.2	Low	118 Å²	118	117.4 Å²	117.4	55%	0.551	57%	0.566	S	S	*	*	H	α-helix	trans	-70.4	-39.5	171.8	-78.1	-176.9	-19	0	0	112.8	R1110 I1111 Q1112 E1116 V1117 V1118	R1110-Q1114 WeakPolarHBondContact O-CB 3.41Å; R1110-Q1114 WeakPolarHBondContact O-CG 3.45Å; R1110-Q1114 PolarHBondContact O-N 2.92Å; R1110-Q1114 VanDerWaalsContact O-N 3.08Å; I1111-Q1114 CarbonylContact O-C 3.54Å; I1111-Q1114 PolarHBondContact O-N 3.46Å; I1111-Q1114 VanDerWaalsContact O-N 3.12Å; Q1112-Q1114 VanDerWaalsContact C-N 3.34Å; Q1112-Q1114 PolarHBondContact O-N 3.34Å; Q1114-E1116 VanDerWaalsContact C-N 3.32Å; Q1114-V1117 PolarHBondContact O-N 2.9Å; Q1114-V1118 WeakPolarHBondContact O-CG2 3.37Å; Q1114-V1118 PolarHBondContact O-N 2.92Å
1115	M	52.5	Low	51.9	Low	132 Å²	132	113.3 Å²	113.3	65%	0.65	57%	0.572	S	S	*	*	H	α-helix	trans	-65.1	-36.4	173	-70.3	-174.5	78.8	0	0	111.6	I1111 Q1112 V1118 S1119	I1111-M1115 HydrophobicContact CG2-CG 4.34Å; I1111-M1115 HydrophobicContact CG2-SD 4.21Å; I1111-M1115 WeakPolarHBondContact O-CG 3.33Å; I1111-M1115 PolarHBondContact O-N 3.21Å; Q1112-M1115 PolarHBondContact O-N 2.79Å; M1115-V1118 PolarHBondContact O-N 3.3Å; M1115-S1119 WeakPolarHBondContact O-CB 3.34Å; M1115-S1119 PolarHBondContact O-N 2.76Å
1116	E	51	Low	51.5	Low	126 Å²	126	111.6 Å²	111.6	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-62.2	-46.1	174	-168.4	168.6	-136.7	0	0	111.6	Q1112 Q1114 S1119 T1120	Q1112-E1116 WeakPolarHBondContact O-CB 3.44Å; Q1112-E1116 PolarHBondContact O-N 2.95Å; Q1114-E1116 VanDerWaalsContact C-N 3.32Å; E1116-S1119 PolarHBondContact O-N 3.08Å; E1116-S1119 PolarHBondContact O-OG 3.45Å; E1116-T1120 PolarHBondContact O-N 3.25Å; E1116-T1120 PolarHBondContact O-OG1 2.97Å
1117	V	61.4	Low	50.9	Low	84 Å²	84	112.4 Å²	112.4	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-61.3	-43.5	172.6	170.3	0	0	0	0	112.1	T1113 Q1114 T1120 F1121	T1113-V1117 WeakPolarHBondContact O-CG2 3.44Å; T1113-V1117 PolarHBondContact O-N 3.29Å; T1113-V1117 VanDerWaalsContact O-N 3.08Å; Q1114-V1117 PolarHBondContact O-N 2.9Å; V1117-T1120 WeakPolarHBondContact O-CB 3.34Å; V1117-T1120 PolarHBondContact O-N 3.36Å; V1117-F1121 HydrophobicContact CG1-CD2 4.27Å; V1117-F1121 PolarHBondContact O-N 3.48Å
1118	V	62.8	Low	49.9	Very low	83 Å²	83	120.6 Å²	120.6	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-65.8	-37.8	176.8	169.8	0	0	0	0	111.6	Q1114 M1115 T1120 F1121 K1122	Q1114-V1118 WeakPolarHBondContact O-CG2 3.37Å; Q1114-V1118 PolarHBondContact O-N 2.92Å; M1115-V1118 PolarHBondContact O-N 3.3Å; V1118-T1120 VanDerWaalsContact C-N 3.31Å; V1118-T1120 PolarHBondContact O-N 2.95Å; V1118-F1121 PolarHBondContact O-N 3.27Å; V1118-K1122 PolarHBondContact O-N 3.37Å
1119	S	49.4	Very low	49	Very low	57 Å²	57	120.9 Å²	120.9	40%	0.399	64%	0.636	S	S	.	*	H	α-helix	trans	-65.4	-36.2	175.1	82.4	0	0	0	0	111.9	M1115 E1116 K1122 R1123	M1115-S1119 WeakPolarHBondContact O-CB 3.34Å; M1115-S1119 PolarHBondContact O-N 2.76Å; E1116-S1119 PolarHBondContact O-N 3.08Å; E1116-S1119 PolarHBondContact O-OG 3.45Å; S1119-K1122 PolarHBondContact O-N 2.99Å; S1119-R1123 PolarHBondContact O-N 3.29Å
1120	T	60.1	Low	48	Very low	82 Å²	82	120.8 Å²	120.8	50%	0.503	65%	0.649	S	S	.	*	H	α-helix	trans	-66.5	-45.3	174.9	-55.5	0	0	0	0	110.8	E1116 V1117 V1118 R1123 S1124	E1116-T1120 PolarHBondContact O-N 3.25Å; E1116-T1120 PolarHBondContact O-OG1 2.97Å; V1117-T1120 WeakPolarHBondContact O-CB 3.34Å; V1117-T1120 PolarHBondContact O-N 3.36Å; V1118-T1120 VanDerWaalsContact C-N 3.31Å; V1118-T1120 PolarHBondContact O-N 2.95Å; T1120-R1123 PolarHBondContact O-N 3.22Å; T1120-S1124 PolarHBondContact O-N 3.43Å; T1120-S1124 VanDerWaalsContact O-N 3.08Å; T1120-S1124 PolarHBondContact O-OG 2.85Å
1121	F	56.2	Low	47.1	Very low	158 Å²	158	119.2 Å²	119.2	69%	0.693	66%	0.659	S	S	*	*	H	α-helix	trans	-62	-41.5	173.4	-100.5	-86.3	0	0	0	113	V1117 V1118 R1123 S1124 G1125	V1117-F1121 HydrophobicContact CG1-CD2 4.27Å; V1117-F1121 PolarHBondContact O-N 3.48Å; V1118-F1121 PolarHBondContact O-N 3.27Å; F1121-R1123 VanDerWaalsContact C-N 3.33Å; F1121-R1123 PolarHBondContact O-N 3.18Å; F1121-S1124 PolarHBondContact O-N 3.3Å; F1121-G1125 PolarHBondContact O-N 3.34Å
1122	K	49.8	Very low	45.6	Very low	167 Å²	167	126.7 Å²	126.7	73%	0.726	68%	0.681	S	S	*	*	H	α-helix	trans	-62.6	-37.5	174.4	-79.3	-172.2	172.9	-174.8	0	112.3	V1118 S1119 S1124 G1125	V1118-K1122 PolarHBondContact O-N 3.37Å; S1119-K1122 PolarHBondContact O-N 2.99Å; K1122-S1124 VanDerWaalsContact C-N 3.34Å; K1122-G1125 PolarHBondContact O-N 3.08Å
1123	R	52.3	Low	44.5	Very low	221 Å²	221	131.8 Å²	131.8	83%	0.834	70%	0.695	S	S	*	*	H	α-helix	trans	-66	-32.1	173.2	-82.6	-179.6	164	169.1	-3.7	113.5	S1119 T1120 F1121 G1125	S1119-R1123 PolarHBondContact O-N 3.29Å; T1120-R1123 PolarHBondContact O-N 3.22Å; F1121-R1123 VanDerWaalsContact C-N 3.33Å; F1121-R1123 PolarHBondContact O-N 3.18Å; R1123-G1125 VanDerWaalsContact C-N 3.32Å
1124	S	44.3	Very low	42.9	Very low	99 Å²	99	140 Å²	140	69%	0.692	72%	0.718	S	S	*	*	H	α-helix	trans	-77.9	-11.5	175.2	-62.4	0	0	0	0	114.5	T1120 F1121 K1122	T1120-S1124 PolarHBondContact O-N 3.43Å; T1120-S1124 VanDerWaalsContact O-N 3.08Å; T1120-S1124 PolarHBondContact O-OG 2.85Å; F1121-S1124 PolarHBondContact O-N 3.3Å; K1122-S1124 VanDerWaalsContact C-N 3.34Å
1125	G	38	Very low	41.4	Very low	69 Å²	69	138.9 Å²	138.9	71%	0.711	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-5.2	-171.7	0	0	0	0	0	116.7	F1121 K1122 R1123	F1121-G1125 PolarHBondContact O-N 3.34Å; K1122-G1125 PolarHBondContact O-N 3.08Å; R1123-G1125 VanDerWaalsContact C-N 3.32Å
1126	S	37.9	Very low	40.3	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	73%	0.729	S	S	*	*			trans	-127.6	71.1	-166.8	179.3	0	0	0	0	113.7
1127	F	32.3	Very low	39.3	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.864	74%	0.735	S	S	*	*			trans	-152.8	103.2	160.1	-136	-86.6	0	0	0	113.6
1128	Q	31.1	Very low	37.6	Very low	200 Å²	200	140.7 Å²	140.7	94%	0.935	75%	0.748	S	S	*	*			trans	-148	130.4	166.4	-121	-176.7	6.9	0	0	110.7
1129	G	28.5	Very low	36	Very low	79 Å²	79	141 Å²	141	81%	0.814	75%	0.754	S	S	*	*			trans	95.5	69.9	160.4	0	0	0	0	0	118.6
1130	A	26.8	Very low	35	Very low	94 Å²	94	146.3 Å²	146.3	78%	0.777	77%	0.773	S	S	*	*			trans	-144.1	102.7	158.2	0	0	0	0	0	111.3
1131	V	29.4	Very low	33.3	Very low	144 Å²	144	149.2 Å²	149.2	87%	0.873	78%	0.784	S	S	*	*			trans	-106.7	108.5	-175.5	178	0	0	0	0	111.7
1132	R	27.3	Very low	32	Very low	250 Å²	250	149.2 Å²	149.2	94%	0.943	79%	0.786	S	S	*	*			trans	-160.1	164.4	145.9	-116.6	168.3	-177.1	176.6	1	113.3
1133	R	28.9	Very low	30.7	Very low	238 Å²	238	147.5 Å²	147.5	90%	0.898	79%	0.785	S	S	*	*			trans	-105.8	146.3	-160	-56.9	171.5	176.5	166.8	-3.8	114.1
1134	R	24.8	Very low	29.6	Very low	245 Å²	245	142.2 Å²	142.2	93%	0.925	78%	0.777	S	S	*	*			trans	176.9	143.7	132.7	-97.1	167.4	179.4	-173.6	-0.4	108.2
1135	S	24.2	Very low	28.9	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	78%	0.775	S	S	*	*			cis	-171.6	137.1	-12.9	41.4	0	0	0	0	112.5
1136	S	29.9	Very low	28.3	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	78%	0.781	S	S	*	*			trans	67.3	145.8	137.7	76.1	0	0	0	0	119.8
1137	V	29.6	Very low	27.8	Very low	119 Å²	119	149.2 Å²	149.2	72%	0.721	79%	0.786	S	S	*	*			cis	-154.7	159.2	12.3	-175.4	0	0	0	0	110.5
1138	L	26.5	Very low	27.5	Very low	151 Å²	151	145.1 Å²	145.1	79%	0.791	78%	0.781	S	S	*	*			trans	65.1	130.1	162.8	-103.8	38.7	0	0	0	116.6
1139	S	27.7	Very low	27.2	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	78%	0.775	S	S	*	*			cis	79.2	140.5	42.2	101.8	0	0	0	0	114
1140	Q	28.9	Very low	28.2	Very low	169 Å²	169	142.8 Å²	142.8	79%	0.79	77%	0.767	S	S	*	*			cis	-161.5	165	37	-126.3	176.7	-19.2	0	0	114.3
1141	L	25.5	Very low	28.2	Very low	142 Å²	142	144.3 Å²	144.3	74%	0.743	77%	0.767	S	S	*	*			trans	64.5	121.9	154.8	-97.5	69.3	0	0	0	124.9
1142	H	27.6	Very low	28.1	Very low	159 Å²	159	145.4 Å²	145.4	74%	0.736	76%	0.762	S	S	*	*				9	158.1	115.3	-84.2	-108	0	0	0	120.5
1143	D	24.2	Very low	28.3	Very low	131 Å²	131	140.2 Å²	140.2	70%	0.701	75%	0.752	S	S	*	*			cis	-163.4	170.6	27.4	-106.4	-33.6	0	0	0	109.8
1144	V	28.1	Very low	28.2	Very low	109 Å²	109	140.4 Å²	140.4	66%	0.661	75%	0.752	S	S	*	*			cis	-167.9	162.2	-29.5	98.3	0	0	0	0	112.3
1145	T	30	Very low	28.4	Very low	108 Å²	108	134.6 Å²	134.6	66%	0.663	74%	0.744	S	S	*	*			trans	21	137.5	167.4	63.7	0	0	0	0	124.4
1146	N	25.9	Very low	28.7	Very low	155 Å²	155	136 Å²	136	83%	0.829	75%	0.749	S	S	*	*				-154.5	165.5	108.5	-113.3	-49.1	0	0	0	114.5
1147	L	27.5	Very low	28.6	Very low	150 Å²	150	140.1 Å²	140.1	79%	0.785	75%	0.752	S	S	*	*			trans	-66.8	166.2	-170.4	-93.1	59	0	0	0	115.3
1148	S	24.5	Very low	28.5	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	75%	0.751	S	S	*	*			cis	-156.9	-179.4	7	32.2	0	0	0	0	113.6
1149	T	26.2	Very low	28.6	Very low	131 Å²	131	141.1 Å²	141.1	80%	0.804	76%	0.757	S	S	*	*			trans	-120.4	-175.9	-163.2	35.3	0	0	0	0	113.6
1150	P	48.7	Very low	28.5	Very low	100 Å²	100	148.2 Å²	148.2	65%	0.649	77%	0.77	S	S	*	*			cis	-141.6	-174.6	-30.7	34.6	-13.8	0	0	0	116.2
1151	T	27.7	Very low	28.4	Very low	125 Å²	125	146 Å²	146	77%	0.767	77%	0.773	S	S	*	*			trans	73.6	160.5	157.9	69.1	0	0	0	0	118.6
1152	H	26.4	Very low	28.5	Very low	167 Å²	167	144.2 Å²	144.2	77%	0.773	77%	0.772	S	S	*	*			cis	-146.2	158.1	12.7	-148	-75.9	0	0	0	114.2
1153	I	31.5	Very low	28.5	Very low	142 Å²	142	143.4 Å²	143.4	73%	0.728	77%	0.773	S	S	*	*			trans	-88.3	146.1	175.1	-65.2	162.2	0	0	0	111.4
1154	R	25.8	Very low	28.8	Very low	241 Å²	241	146.2 Å²	146.2	91%	0.909	78%	0.775	S	S	*	*			trans	-158.1	139.2	143.6	-116.5	170.5	-166.7	176.3	5.1	115.8
1155	V	29.8	Very low	28.7	Very low	124 Å²	124	149.5 Å²	149.5	75%	0.752	78%	0.783	S	S	*	*			trans	-100.4	160.8	164	175.6	0	0	0	0	107.6
1156	V	31.5	Very low	28.5	Very low	124 Å²	124	147.9 Å²	147.9	75%	0.752	79%	0.788	S	S	*	*			trans	172.2	130.7	136.7	146.6	0	0	0	0	115.7
1157	K	26.1	Very low	28.6	Very low	196 Å²	196	148.9 Å²	148.9	85%	0.852	79%	0.792	S	S	*	*			trans	55.5	139.4	149.9	-75.6	178	-178.7	177.8	0	124.5
1158	A	28.8	Very low	28.4	Very low	84 Å²	84	150.3 Å²	150.3	69%	0.694	80%	0.795	S	S	*	*			trans	-102.2	-173.5	138.9	0	0	0	0	0	110.9
1159	F	27.3	Very low	28.9	Very low	207 Å²	207	154.7 Å²	154.7	91%	0.908	80%	0.8	S	S	*	*			trans	98	139.9	168.6	-94.7	-82.4	0	0	0	121.5
1160	R	27.5	Very low	29.3	Very low	238 Å²	238	153.9 Å²	153.9	90%	0.898	80%	0.797	S	S	*	*			trans	74.2	148.3	175.7	-69.5	-173.4	172.1	-172.3	-2.8	115.6
1161	S	25.9	Very low	28.2	Very low	123 Å²	123	158.3 Å²	158.3	86%	0.86	81%	0.809	S	S	*	*			cis	-138.7	-169.8	12	62.4	0	0	0	0	114
1162	S	27.5	Very low	28.4	Very low	104 Å²	104	157.4 Å²	157.4	73%	0.727	81%	0.808	S	S	*	*			trans	-119.8	-176.7	-172.7	-172.6	0	0	0	0	111.6
1163	L	27.5	Very low	28.3	Very low	143 Å²	143	159.7 Å²	159.7	75%	0.749	82%	0.816	S	S	*	*			trans	79.2	153.4	176.2	-51.5	164.1	0	0	0	115.3
1164	Y	29.9	Very low	28	Very low	190 Å²	190	157.5 Å²	157.5	75%	0.745	81%	0.813	S	S	*	*			cis	-139.3	-167.1	7.6	-128.2	-72.6	0	0	0	111.6
1165	E	26.8	Very low	27.9	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	81%	0.806	S	S	*	*			trans	-79.8	171.2	-170	-57.2	156.3	120.4	0	0	116.5
1166	G	25.1	Very low	27.8	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	80%	0.802	S	S	*	*			trans	173.1	131.8	159.3	0	0	0	0	0	117.1
1167	L	27.8	Very low	27.6	Very low	175 Å²	175	153.3 Å²	153.3	92%	0.916	80%	0.801	S	S	*	*			trans	-59.1	169.6	173.9	-67	125	0	0	0	113.9
1168	E	24.8	Very low	27.5	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	79%	0.788	S	S	*	*			cis	-154.1	176.5	39.1	-66.1	-179.7	130.8	0	0	114.7
1169	K	33.8	Very low	27.4	Very low	202 Å²	202	153.1 Å²	153.1	88%	0.878	79%	0.79	S	S	*	*			trans	-112.7	143.2	156.7	-82.6	-174.5	175.1	-178.6	0	109.7
1170	P	34.8	Very low	27.3	Very low	113 Å²	113	151.1 Å²	151.1	73%	0.734	79%	0.786	S	S	*	*				-131.5	136.7	118.2	6.4	15.6	0	0	0	111.3
1171	E	25.7	Very low	27.2	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	78%	0.776	S	S	*	*				79.4	154.1	77.7	-74.9	-148.4	154.6	0	0	116.3
1172	S	31.5	Very low	27.3	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	77%	0.769	S	S	*	*			trans	-94.9	157.5	-160.1	64.2	0	0	0	0	115.1
1173	K	24.8	Very low	27.4	Very low	214 Å²	214	144.3 Å²	144.3	93%	0.93	77%	0.772	S	S	*	*			trans	-160.9	164.9	145.5	-111.1	147.8	-168.7	165.2	0	113.1
1174	S	24.8	Very low	27.2	Very low	97 Å²	97	145.1 Å²	145.1	68%	0.678	77%	0.772	S	S	*	*			trans	-119	176.3	-166.4	58.8	0	0	0	0	112.6
1175	C	25.2	Very low	27	Very low	111 Å²	111	146.2 Å²	146.2	75%	0.75	78%	0.781	S	S	*	*			trans	74.2	149.8	160.6	-63	0	0	0	0	116.9
1176	I	26.6	Very low	26.8	Very low	132 Å²	132	145.1 Å²	145.1	68%	0.677	78%	0.78	S	S	*	*			cis	-169.5	173.2	-25.7	-129.6	169.3	0	0	0	108.1
1177	H	28.1	Very low	27.1	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.727	78%	0.778	S	S	*	*			trans	70	148.1	171.9	-66.8	-42.9	0	0	0	117.2
1178	N	24.2	Very low	27	Very low	108 Å²	108	147.6 Å²	147.6	58%	0.578	78%	0.775	S	S	*	*			cis	-163.1	148.3	-12.6	-117.6	4.8	0	0	0	111.3
1179	F	25.4	Very low	27.1	Very low	168 Å²	168	144.7 Å²	144.7	74%	0.737	77%	0.765	S	S	*	*			trans	51.7	148.2	140.9	-73.9	-132.9	0	0	0	118.3
1180	M	25.1	Very low	26.9	Very low	166 Å²	166	146.4 Å²	146.4	82%	0.818	77%	0.768	S	S	*	*			cis	-158.2	-177.9	11.2	-135.4	172.5	174.7	0	0	106.7
1181	A	26.6	Very low	26.5	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	76%	0.761	S	S	*	*			cis	-152	-160.1	7.8	0	0	0	0	0	111.2
1182	T	26.9	Very low	26.6	Very low	116 Å²	116	145.8 Å²	145.8	71%	0.712	76%	0.761	S	S	*	*			trans	-88	-179.8	172.5	51	0	0	0	0	112.4
1183	P	29.1	Very low	26.3	Very low	122 Å²	122	147 Å²	147	79%	0.792	76%	0.759	S	S	*	*				-121.6	150.8	105.6	35.6	-34.9	0	0	0	113.7
1184	E	24.7	Very low	26.8	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.743	75%	0.748	S	S	*	*			trans	-84.9	161.2	167.4	-56.3	172.3	134.7	0	0	109.9
1185	F	24.3	Very low	27.2	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.934	76%	0.755	S	S	*	*			trans	-138.3	138.3	148.3	-105.7	-78.5	0	0	0	111
1186	L	24.1	Very low	27.6	Very low	155 Å²	155	146.5 Å²	146.5	81%	0.812	76%	0.757	S	S	*	*			trans	-94	157.5	-172.4	-93.6	156.5	0	0	0	112.6
1187	I	31.4	Very low	27.9	Very low	144 Å²	144	148.5 Å²	148.5	74%	0.738	77%	0.767	S	S	*	*			trans	-64.9	147.5	169.7	-59.2	170.3	0	0	0	109.7
1188	N	24.9	Very low	27.9	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	77%	0.768	S	S	*	*			trans	-147.2	142.4	151.9	-130.1	-9.6	0	0	0	110.5
1189	D	27.8	Very low	28.1	Very low	120 Å²	120	148.9 Å²	148.9	64%	0.642	77%	0.774	S	S	*	*			trans	-81.1	158.9	-167.2	-60.4	-69.6	0	0	0	114.4
1190	Y	28.8	Very low	28.3	Very low	239 Å²	239	146.3 Å²	146.3	94%	0.937	77%	0.772	S	S	*	*			trans	-141.3	118.6	138.4	-108.2	-74.6	0	0	0	111.5
1191	T	25.5	Very low	28.4	Very low	97 Å²	97	146.5 Å²	146.5	60%	0.595	78%	0.777	S	S	*	*			trans	-95.2	145	-177.2	51.5	0	0	0	0	112.7
1192	H	28.4	Very low	28.6	Very low	195 Å²	195	148.6 Å²	148.6	90%	0.903	78%	0.78	S	S	*	*			trans	-133.1	147.7	155.3	-100	30.2	0	0	0	110
1193	N	25.8	Very low	28.8	Very low	133 Å²	133	150.4 Å²	150.4	71%	0.711	79%	0.786	S	S	*	*			trans	-118.9	134	-155.7	-91.2	-23.3	0	0	0	113.2
1194	I	34.8	Very low	29	Very low	136 Å²	136	153.4 Å²	153.4	70%	0.697	79%	0.789	S	S	*	*				50	124.8	121.8	-66.5	172.1	0	0	0	116.4
1195	P	33.4	Very low	29.4	Very low	125 Å²	125	152.8 Å²	152.8	81%	0.812	79%	0.791	S	S	*	*				-138.5	159.9	64.4	37.5	-20.7	0	0	0	118.9
1196	L	34.2	Very low	29.7	Very low	151 Å²	151	151 Å²	151	79%	0.791	79%	0.786	S	S	*	*			trans	-82.1	164	163.9	-62.7	100.3	0	0	0	111.5
1197	I	31.4	Very low	29.9	Very low	173 Å²	173	151.9 Å²	151.9	89%	0.887	79%	0.786	S	S	*	*			trans	-147	163.3	137.4	-107.7	160.4	0	0	0	108.1
1198	D	28.2	Very low	29.8	Very low	141 Å²	141	156 Å²	156	75%	0.754	79%	0.792	S	S	*	*			trans	-111.2	-160.4	-153	-152.7	-17.6	0	0	0	113
1199	D	28.4	Very low	30.1	Very low	133 Å²	133	156.5 Å²	156.5	71%	0.711	79%	0.794	S	S	*	*			trans	93.3	131.3	165.6	-55.3	-25.2	0	0	0	117.1
1200	T	29.6	Very low	30.1	Very low	114 Å²	114	162 Å²	162	70%	0.699	81%	0.805	S	S	*	*			cis	-157.8	145.9	-19.7	17.4	0	0	0	0	108.8
1201	D	27.1	Very low	30.2	Very low	170 Å²	170	154.9 Å²	154.9	91%	0.909	80%	0.796	S	S	*	*			trans	-125.1	144.3	155.9	-109	-35.2	0	0	0	107.4
1202	V	32.4	Very low	30.9	Very low	127 Å²	127	156 Å²	156	77%	0.77	81%	0.805	S	S	*	*			trans	-112	115.1	-169.5	179.6	0	0	0	0	111.4
1203	D	30.8	Very low	32	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	80%	0.796	S	S	*	*			trans	-81.7	141.9	165.2	-93.5	-35.6	0	0	0	111.2
1204	E	33.9	Very low	32.9	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	79%	0.794	S	S	*	*			trans	-125.7	135.6	151.3	-81	-159	136.3	0	0	111.4
1205	N	31.6	Very low	32.6	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	80%	0.799	S	S	*	*			trans	-59.3	161.3	-172	-57.5	-82.8	0	0	0	113.3
1206	E	30	Very low	33.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	80%	0.796	S	S	*	*				-161.9	150.5	64.4	-92.4	-164.7	145.9	0	0	118.6
1207	E	28.7	Very low	34.1	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.804	80%	0.799	S	S	*	*			trans	72.4	158.4	145.9	-69.7	-93.7	86.9	0	0	120.6
1208	R	30.6	Very low	34.1	Very low	231 Å²	231	147 Å²	147	87%	0.872	79%	0.794	S	S	*	*			trans	-135.4	159.3	-163.2	-60.6	164	166.2	163	-6	110.5
1209	L	30.5	Very low	34.1	Very low	167 Å²	167	148.7 Å²	148.7	87%	0.874	80%	0.798	S	S	*	*			trans	-156.3	156.1	140.2	-111.3	166	0	0	0	114
1210	R	28.8	Very low	34.1	Very low	236 Å²	236	149.2 Å²	149.2	89%	0.891	80%	0.801	S	S	*	*			trans	-79.4	159.2	-154.2	-63.2	163.6	176.5	159.5	-1.5	116
1211	A	29.9	Very low	34.1	Very low	89 Å²	89	151.2 Å²	151.2	74%	0.736	81%	0.807	S	S	*	*			trans	-81.4	-169.2	165.4	0	0	0	0	0	111.2
1212	P	41.1	Very low	34.1	Very low	121 Å²	121	150.6 Å²	150.6	79%	0.786	80%	0.804	S	S	*	*			cis	-136.2	-122.5	17	32.7	-3.4	0	0	0	116.8
1213	P	51.5	Low	33.9	Very low	109 Å²	109	148.7 Å²	148.7	71%	0.708	80%	0.801	S	S	*	*			trans	-118.9	-152.9	-135.9	41.8	-18.7	0	0	0	112.5
1214	P	42.9	Very low	33.9	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	80%	0.801	S	S	*	*			cis	-142	173	-4.9	44.2	-25.7	0	0	0	118.7
1215	S	28.5	Very low	33.7	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	79%	0.793	S	S	*	*			trans	58.4	166.9	141.1	70.7	0	0	0	0	122
1216	P	58.1	Low	33.5	Very low	116 Å²	116	144.7 Å²	144.7	75%	0.753	79%	0.793	S	S	*	*			trans	-104.7	-179.7	-156	42.7	-38.2	0	0	0	115.2
1217	P	41.4	Very low	33.3	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	79%	0.789	S	S	*	*				-148.8	-169.1	103.3	42.4	-26.2	0	0	0	116.7
1218	N	31.1	Very low	33.4	Very low	147 Å²	147	140 Å²	140	79%	0.786	79%	0.794	S	S	*	*			trans	-94.3	177.8	-169.6	-171.5	11.4	0	0	0	113.9
1219	Q	28.8	Very low	33.4	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	79%	0.789	S	S	*	*			trans	114.6	149.5	156.5	-62	-168.8	-9.3	0	0	120.2
1220	N	29.6	Very low	33.4	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	78%	0.779	S	S	*	*			trans	-79.4	156.9	-176.9	-54.1	-32.7	0	0	0	113.5
1221	N	28.4	Very low	33.2	Very low	156 Å²	156	130.3 Å²	130.3	83%	0.834	77%	0.769	S	S	*	*				-173	168.3	116.8	-100.2	-35.6	0	0	0	114.6
1222	N	27.7	Very low	33.1	Very low	157 Å²	157	132 Å²	132	84%	0.84	77%	0.77	S	S	*	*			trans	-90.8	151.1	-176.8	-48.5	-65.7	0	0	0	113.8
1223	A	28.6	Very low	32.4	Very low	86 Å²	86	134.8 Å²	134.8	71%	0.711	77%	0.772	S	S	*	*			trans	176	122.4	148	0	0	0	0	0	109.5
1224	I	29.7	Very low	31.3	Very low	159 Å²	159	133.4 Å²	133.4	82%	0.815	77%	0.77	S	S	*	*				71.9	124.7	80.4	-67.5	168.7	0	0	0	111.6
1225	D	29.3	Very low	30.5	Very low	131 Å²	131	134.5 Å²	134.5	70%	0.701	78%	0.775	S	S	*	*			cis	-156.9	175.2	6.2	-143.2	-25.9	0	0	0	114.5
1226	S	28.6	Very low	30.4	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	78%	0.777	S	S	*	*			trans	68.7	136.2	158.1	74.2	0	0	0	0	118.5
1227	G	26.2	Very low	28.9	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	78%	0.779	S	S	*	*			cis	-157	165.7	-11	0	0	0	0	0	108
1228	I	30.5	Very low	28.2	Very low	177 Å²	177	136.9 Å²	136.9	91%	0.908	78%	0.779	S	S	*	*			cis	-146.6	143.5	44.3	-79.8	163.2	0	0	0	111.5
1229	Y	30.4	Very low	28	Very low	197 Å²	197	136.4 Å²	136.4	77%	0.773	78%	0.782	S	S	*	*			trans	-64.3	171.8	172.9	-78.9	-46.5	0	0	0	115.7
1230	L	29.3	Very low	27.8	Very low	126 Å²	126	134 Å²	134	66%	0.66	78%	0.784	S	S	*	*			cis	-145.9	143.3	-13.2	-92.7	140.1	0	0	0	103.3
1231	T	26.5	Very low	27.7	Very low	109 Å²	109	132.6 Å²	132.6	67%	0.669	79%	0.786	S	S	*	*				44.5	159.5	85.3	86.6	0	0	0	0	115.1
1232	T	26.4	Very low	27.7	Very low	123 Å²	123	129.2 Å²	129.2	76%	0.755	78%	0.78	S	S	*	*			cis	-159.2	167.2	33.2	-28.1	0	0	0	0	114.1
1233	H	27.5	Very low	27.6	Very low	180 Å²	180	131 Å²	131	83%	0.833	78%	0.781	S	S	*	*			trans	-48.4	141.9	172.6	-88.8	-101.1	0	0	0	118.9
1234	A	27.2	Very low	27.5	Very low	80 Å²	80	131.7 Å²	131.7	66%	0.661	78%	0.78	S	S	*	*				86.7	168.9	122.1	0	0	0	0	0	123.6
1235	T	26	Very low	27.2	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	78%	0.779	S	S	*	*			trans	95.3	103.5	165.1	63.5	0	0	0	0	120.6
1236	K	26.4	Very low	27.1	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	79%	0.789	S	S	*	*				54.3	107.7	129.4	-73	-173.9	174.5	-178.7	0	121.6
1237	S	26.5	Very low	27.5	Very low	115 Å²	115	134 Å²	134	80%	0.804	78%	0.782	S	S	*	*				50.4	120.1	124.8	65.8	0	0	0	0	122.1
1238	A	26.7	Very low	27.5	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	79%	0.788	S	S	*	*			trans	-157.1	160.7	133.3	0	0	0	0	0	110.6
1239	T	27.8	Very low	27.5	Very low	138 Å²	138	136 Å²	136	85%	0.847	78%	0.779	S	S	*	*			trans	-115.2	146.7	-179.3	42.3	0	0	0	0	112.7
1240	S	25	Very low	27.9	Very low	125 Å²	125	132.6 Å²	132.6	87%	0.874	78%	0.781	S	S	*	*			trans	-173.1	174.8	150.3	36.8	0	0	0	0	109.6
1241	S	27.1	Very low	27.8	Very low	116 Å²	116	134 Å²	134	81%	0.811	79%	0.789	S	S	*	*			trans	-149.2	169.2	-145.6	53	0	0	0	0	116.7
1242	A	28.1	Very low	27.8	Very low	86 Å²	86	137 Å²	137	71%	0.711	80%	0.795	S	S	*	*			trans	74.5	153.9	170.9	0	0	0	0	0	115.4
1243	F	25.9	Very low	27.9	Very low	195 Å²	195	135.7 Å²	135.7	86%	0.855	79%	0.791	S	S	*	*			cis	-137.2	174	26.3	-119.6	-96.2	0	0	0	114.8
1244	S	25.8	Very low	27.9	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	79%	0.786	S	S	*	*			trans	-10.1	158.8	163.7	64.7	0	0	0	0	121.2
1245	S	23.9	Very low	28	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	79%	0.788	S	S	*	*			cis	-158.8	159.2	28.5	55.8	0	0	0	0	115.2
1246	R	27.7	Very low	28.2	Very low	238 Å²	238	136.7 Å²	136.7	90%	0.898	78%	0.783	S	S	*	*			trans	-82.3	168.8	154.5	-104.6	-177.9	-176.6	-176.2	1.1	109.4
1247	P	37.3	Very low	28.4	Very low	98 Å²	98	132.7 Å²	132.7	64%	0.636	78%	0.779	S	S	*	*			cis	-148.5	-172.4	40.7	43.2	-21.7	0	0	0	118.1
1248	E	24.9	Very low	28.8	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	80%	0.802	S	S	*	*			trans	72.2	147.2	145.2	-83.8	150	-147.3	0	0	123.6
1249	S	31.4	Very low	29	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	80%	0.799	S	S	*	*			trans	-109.9	171.9	170.3	52.5	0	0	0	0	109.7
1250	P	37.5	Very low	29	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	80%	0.796	S	S	*	*				-140	172.1	129	36.8	-24.8	0	0	0	114.3
1251	L	28.9	Very low	29.2	Very low	155 Å²	155	141.7 Å²	141.7	81%	0.812	79%	0.792	S	S	*	*			trans	-96.7	152.4	174.8	-60.3	99.1	0	0	0	112.3
1252	H	26.4	Very low	29.4	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	79%	0.791	S	S	*	*			trans	-170	134.1	134.4	-113.4	-89.5	0	0	0	107.2
1253	S	28.3	Very low	29.4	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	80%	0.796	S	S	*	*			cis	86.7	136	22.7	-160.8	0	0	0	0	115.5
1254	M	27.5	Very low	29.7	Very low	148 Å²	148	143.5 Å²	143.5	73%	0.729	79%	0.792	S	S	*	*			trans	81.9	144.8	-179.5	-70	-179.6	156.2	0	0	118.6
1255	E	29.6	Very low	30	Very low	150 Å²	150	146.6 Å²	146.6	70%	0.701	80%	0.799	S	S	*	*			cis	-169.7	173.6	-30.9	-132	170.1	-166.5	0	0	113.2
1256	T	30	Very low	30.4	Very low	112 Å²	112	149.2 Å²	149.2	69%	0.687	80%	0.799	S	S	*	*			trans	62.7	117.1	152.4	50.4	0	0	0	0	123
1257	S	31.2	Very low	30.7	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	79%	0.791	S	S	*	*				66.4	109.4	121.9	-52	0	0	0	0	122
1258	L	34.9	Very low	30.1	Very low	245 Å²	245	145.8 Å²	145.8	100%	1.283	81%	0.805	S	S	*	*				-154	0	91.3	-117.5	167.4	0	0	0	111.5

Retrieved 1,258 of 1,258 residues in 473.3 ms (Link to these results)

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