A0A087YPF1_POEFO Loading...

Protein phosphatase Slingshot homolog 1

Protein phosphatase which regulates actin filament dynamics. Dephosphorylates and activates the actin binding/depolymerizing factor cofilin, which subsequently binds to actin filaments and stimulates their disassembly. Inhibitory phosphorylation of cofilin is mediated by LIMK1, which may also be dephosphorylated and inactivated by this protein.

AlphaFold DB , UniProt , Accession A0A087YPF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 aa.

						>A0A087YPF1_POEFO|A0A087YPF1
MALVTLQRSPTPSAASSASSSAGEDFGSDDDRKNNQSISESFFMVKGAALFLQQGGNAQGPKTPTHHKHAGDLPQHLQVMFKILRSEDRIKLAVRLESGWSERVRYMVVIYTNGHQDTEENIVLGMDFPDKDSKNCSIGMVLPLWSDANIHLDGDGGFSVNTAGRSHVFKPVSVQAMWSALQVLHKACEVSRRFNYFPGGIALTWMAFYESCITSEQSFINEWNAMTDLETTRSDSPNMFVDGPTERERTECLIKSKLRNIMMFQDLENITSKEIRNELEQHMSCNLKEYKEFIDNEMLLILGQMDKATLIFDHVYLGSEWNASNLEELQNCGVGYILNITREIDNFFPGMFSYHNVRVYDEDATDLLAHWNDTYNFIVKAKKNNSKCLVHCKMGVSRSASTVIAYAMKEYGWSLEKAYNYVKQKRGIAQPNAGFMRQLAEYEGILDASKQRHNKLWRPDTDEEGSDDLQASGHSTGGEETPVLRGEEAWGGCGASPCRGLEMEPLDSLNYNYYFRRLSDSALDSEPSTPVRGPPLLGMERVFIEIEDVERDALLEDEGFPMAHLTLPGEGTAAQTCSRLDPMEDMRLRLEFSTLEEEDEEEAKKEEEEMAALAQTAGSSDGRKTGEEAEGNEESQLGLANLNTNNSNRLAAKRSCPAAFDDSASAGNPLKVKPSYQSCKDCMRLPQGRRCDRPAGGRSHRLNPSRHCTVPSICIDPPGTHFTSTPVLSTPAVIPSSLVQPCTNFYQCSSCTLGSTSTPEANHQKLFSPMNCEETPPDGSSVETEDMEEPQNGDLLDEVTRQSSEAIDVTEADGLKFGAEIASFQ
					

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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	42.9	Very low	46.8	Very low	127 Å²	127	72.5 Å²	72.5	63%	0.626	41%	0.41	S	S	*	.				0	165.9	0	-62.3	177.2	-88.7	0	0	108.5	F43 M44 V45	M1-F43 HydrophobicContact CB-CE1 4.34Å; M1-F43 HydrophobicContact CB-CE2 4.38Å; M1-F43 HydrophobicContact CB-CZ 3.9Å; M1-F43 HydrophobicContact CE-CZ 4.35Å; M1-F43 HydrophobicContact CG-CE1 4.42Å; M1-F43 HydrophobicContact CG-CZ 4.23Å; M1-F43 HydrophobicContact SD-CE1 3.62Å; M1-F43 HydrophobicContact SD-CZ 3.45Å; M1-F43 WeakPolarHBondContact SD-CZ 3.28Å; M1-M44 WeakPolarHBondContact CA-O 3.36Å; M1-V45 HydrophobicContact CG-CG1 3.97Å; M1-V45 HydrophobicContact SD-CG1 3.83Å
2	A	40.6	Very low	45.5	Very low	19 Å²	19	77.1 Å²	77.1	16%	0.157	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137	-176.9	0	0	0	0	0	113.1	M44	A2-M44 HydrophobicContact CB-CE 4.39Å; A2-M44 PolarHBondContact N-O 3.5Å; A2-M44 WeakPolarHBondContact O-CB 3.4Å; A2-M44 PolarHBondContact O-N 3.01Å
3	L	39.9	Very low	44.3	Very low	107 Å²	107	78.8 Å²	78.8	56%	0.56	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.7	169.9	179.4	66.4	0	0	0	109.6	F42 L52	L3-F42 WeakPolarHBondContact CA-O 3.26Å; L3-L52 HydrophobicContact CD1-CD1 3.45Å; L3-L52 VanDerWaalsContact CD1-CD1 3.45Å
4	V	52.8	Low	43.4	Very low	29 Å²	29	81.4 Å²	81.4	18%	0.176	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.1	175.4	174.6	0	0	0	0	110.1	L6 F42 M44 P74	V4-L6 HydrophobicContact CG1-CD2 3.51Å; V4-L6 HydrophobicContact CG1-CG 4.14Å; V4-F42 PolarHBondContact N-O 3.14Å; V4-F42 PolarHBondContact O-N 3.29Å; V4-M44 HydrophobicContact CB-CE 4.41Å; V4-M44 HydrophobicContact CB-SD 4.34Å; V4-M44 HydrophobicContact CG2-CE 3.49Å; V4-M44 VanDerWaalsContact CG2-CE 3.49Å; V4-M44 HydrophobicContact CG2-SD 4.03Å; V4-P74 HydrophobicContact CG1-CB 4.44Å
5	T	60.1	Low	42.8	Very low	76 Å²	76	81.6 Å²	81.6	47%	0.466	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	171.1	-53.8	0	0	0	0	109.9	E40 S41	T5-E40 CarbonylContact C-O 3.57Å; T5-E40 WeakPolarHBondContact CA-O 3.35Å; T5-S41 PolarHBondContact OG1-OG 3.12Å
6	L	57.5	Low	42.2	Very low	12 Å²	12	83.9 Å²	83.9	6%	0.063	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132	178.4	-54.4	178.8	0	0	0	108.6	V4 S39 E40 F42 L77 Q78 F81	V4-L6 HydrophobicContact CG1-CD2 3.51Å; V4-L6 HydrophobicContact CG1-CG 4.14Å; L6-S39 CarbonylContact O-C 3.51Å; L6-S39 WeakPolarHBondContact O-CA 3.34Å; L6-E40 PolarHBondContact N-O 3.3Å; L6-E40 PolarHBondContact O-N 3.01Å; L6-F42 HydrophobicContact CB-CE2 4.49Å; L6-F42 HydrophobicContact CD1-CD2 3.81Å; L6-F42 HydrophobicContact CD1-CE2 3.89Å; L6-F42 HydrophobicContact CG-CD2 4.07Å; L6-F42 HydrophobicContact CG-CE2 4.29Å; L6-L77 HydrophobicContact CD1-CB 3.67Å; L6-L77 HydrophobicContact CD1-CD1 4.23Å; L6-Q78 HydrophobicContact CD2-CG 4Å; L6-F81 HydrophobicContact CD1-CD2 3.97Å; L6-F81 HydrophobicContact CD1-CE2 3.75Å
7	Q	52	Low	41.6	Very low	113 Å²	113	86.1 Å²	86.1	53%	0.528	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.4	175.9	-75	-174.1	-37.7	0	0	111.1
8	R	53.8	Low	41	Very low	46 Å²	46	86.3 Å²	86.3	17%	0.174	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	116.7	172.1	-157.5	174.9	-161	-177.8	3.2	109.7	I38 F81 L84 R85 S86	R8-I38 HydrophobicContact CB-CB 4.3Å; R8-I38 PolarHBondContact N-O 2.9Å; R8-I38 PolarHBondContact O-N 3.01Å; R8-F81 PolarHBondContact NE-O 2.99Å; R8-F81 PolarHBondContact NH2-O 2.93Å; R8-L84 PolarHBondContact NH2-O 3.29Å; R8-R85 VanDerWaalsContact CZ-O 3.27Å; R8-R85 PolarHBondContact NH1-O 3.18Å; R8-R85 PolarHBondContact NH2-O 3.04Å; R8-S86 PolarHBondContact NH1-O 2.88Å; R8-S86 VanDerWaalsContact NH1-O 3.17Å
9	S	40.7	Very low	40.4	Very low	94 Å²	94	87.8 Å²	87.8	66%	0.657	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-70.4	132.6	165.1	54.4	0	0	0	0	109.3	T11	S9-T11 PolarHBondContact O-N 3.1Å
10	P	36.7	Very low	40.3	Very low	69 Å²	69	89.8 Å²	89.8	45%	0.448	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-60	126.7	172.8	24.6	-32.2	0	0	0	109.7	N35	P10-N35 VanDerWaalsContact CG-OD1 3.28Å; P10-N35 WeakPolarHBondContact CG-OD1 3.42Å
11	T	37.3	Very low	39.9	Very low	106 Å²	106	90.8 Å²	90.8	65%	0.65	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.9	174.3	42.4	0	0	0	0	109.6	S9 S13	S9-T11 PolarHBondContact O-N 3.1Å; T11-S13 PolarHBondContact O-N 3.32Å; T11-S13 VanDerWaalsContact O-N 3.14Å
12	P	32.2	Very low	39.7	Very low	127 Å²	127	90.2 Å²	90.2	83%	0.825	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-65.6	116.4	176.3	27.2	-33.3	0	0	0	109.6	A14	P12-A14 PolarHBondContact O-N 3.09Å
13	S	29.5	Very low	39.2	Very low	99 Å²	99	92.8 Å²	92.8	69%	0.692	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-56.9	129.4	179.9	-59.7	0	0	0	0	111.3	T11 A15	T11-S13 PolarHBondContact O-N 3.32Å; T11-S13 VanDerWaalsContact O-N 3.14Å; S13-A15 PolarHBondContact O-N 3.1Å
14	A	32.1	Very low	39.1	Very low	116 Å²	116	97 Å²	97	96%	0.959	66%	0.659	S	S	*	*	S	Bend	trans	-76.3	57.7	-179.9	0	0	0	0	0	112.3	P12	P12-A14 PolarHBondContact O-N 3.09Å
15	A	33.8	Very low	38.2	Very low	84 Å²	84	102.2 Å²	102.2	69%	0.694	69%	0.686	S	S	*	*			trans	-140.7	19.3	-174.1	0	0	0	0	0	113.9	S13	S13-A15 PolarHBondContact O-N 3.1Å
16	S	33	Very low	37.2	Very low	118 Å²	118	107.6 Å²	107.6	83%	0.825	70%	0.703	S	S	*	*			trans	-128.6	67.4	-175.3	-60	0	0	0	0	112.4
17	S	31.7	Very low	35.9	Very low	121 Å²	121	110.7 Å²	110.7	85%	0.846	74%	0.738	S	S	*	*			trans	-137.4	63.7	-178.9	68.2	0	0	0	0	114.2
18	A	31.5	Very low	35.1	Very low	91 Å²	91	109.1 Å²	109.1	75%	0.752	74%	0.739	S	S	*	*			trans	-157.2	153	164.3	0	0	0	0	0	113.6
19	S	30.4	Very low	34.1	Very low	114 Å²	114	112.5 Å²	112.5	80%	0.797	76%	0.761	S	S	*	*			trans	51.6	108.6	161.3	54.8	0	0	0	0	119.6
20	S	36.7	Very low	34	Very low	127 Å²	127	112.7 Å²	112.7	89%	0.888	76%	0.755	S	S	*	*			trans	-87.7	127.3	153.3	46.3	0	0	0	0	111
21	S	32.2	Very low	33.8	Very low	112 Å²	112	116 Å²	116	78%	0.783	77%	0.768	S	S	*	*			trans	-157.7	139	164.2	53.6	0	0	0	0	109.6
22	A	38.4	Very low	33.7	Very low	114 Å²	114	120.8 Å²	120.8	94%	0.942	78%	0.775	S	S	*	*			trans	-71.7	142.9	-176.2	0	0	0	0	0	112.6
23	G	31.5	Very low	33.8	Very low	74 Å²	74	121.3 Å²	121.3	76%	0.763	76%	0.764	S	S	*	*			trans	-169.6	134.7	170.9	0	0	0	0	0	107.8
24	E	37.7	Very low	34	Very low	196 Å²	196	123.9 Å²	123.9	92%	0.916	77%	0.77	S	S	*	*			trans	-92.9	165.8	178.9	-65.8	175.7	123.4	0	0	111
25	D	34.3	Very low	34.1	Very low	137 Å²	137	124 Å²	124	73%	0.733	75%	0.754	S	S	*	*			trans	94	142.5	155.9	-133.3	15.1	0	0	0	120.4
26	F	38.8	Very low	34.5	Very low	190 Å²	190	127.6 Å²	127.6	83%	0.833	76%	0.757	S	S	*	*			trans	20.2	107.8	178.9	-62.8	-74.7	0	0	0	121.4
27	G	29.1	Very low	35.1	Very low	77 Å²	77	124.8 Å²	124.8	79%	0.794	74%	0.737	S	S	*	*			trans	-110.8	149.9	158.4	0	0	0	0	0	112.5
28	S	36	Very low	36.1	Very low	79 Å²	79	122.6 Å²	122.6	55%	0.552	72%	0.715	S	S	*	*			trans	-74.8	158.4	-175	-165.2	0	0	0	0	113.7	D30	S28-D30 PolarHBondContact O-N 3.44Å; S28-D30 PolarHBondContact OG-OD2 3.35Å
29	D	33.8	Very low	36.9	Very low	117 Å²	117	121.2 Å²	121.2	63%	0.626	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-73.1	-7.3	173.3	-109.2	-36.7	0	0	0	113.6	D31 R32	D29-D31 PolarHBondContact O-N 3.28Å; D29-R32 PolarHBondContact O-N 3.39Å
30	D	37.5	Very low	38.7	Very low	99 Å²	99	116.2 Å²	116.2	53%	0.529	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-67	-35.5	-176.7	-65.6	-63.9	0	0	0	113.8	S28 R32 K33	S28-D30 PolarHBondContact O-N 3.44Å; S28-D30 PolarHBondContact OG-OD2 3.35Å; D30-R32 PolarHBondContact O-N 3.26Å; D30-K33 PolarHBondContact O-N 3.44Å; D30-K33 IonicContact OD1-NZ 3.66Å
31	D	33.1	Very low	40.2	Very low	138 Å²	138	110.5 Å²	110.5	74%	0.738	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-61.7	-15.7	-179.9	-80.6	-51.8	0	0	0	113.5	D29	D29-D31 PolarHBondContact O-N 3.28Å
32	R	35.4	Very low	42	Very low	207 Å²	207	105.1 Å²	105.1	78%	0.781	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-84.3	-13.4	176.6	-78.8	-179.8	166.7	158.1	-2.4	114.7	D29 D30	D29-R32 PolarHBondContact O-N 3.39Å; D30-R32 PolarHBondContact O-N 3.26Å
33	K	34.2	Very low	43.4	Very low	138 Å²	138	102.6 Å²	102.6	60%	0.6	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-26.6	-178.1	-73.6	173.3	-176.6	159.5	0	114	D30 N35	D30-K33 PolarHBondContact O-N 3.44Å; D30-K33 IonicContact OD1-NZ 3.66Å; K33-N35 PolarHBondContact O-N 3.33Å
34	N	33.8	Very low	45	Very low	153 Å²	153	99.5 Å²	99.5	82%	0.818	52%	0.52	S	S	*	.	S	Bend	trans	-81.9	-4.2	-172.5	-104.6	17	0	0	0	116
35	N	33.7	Very low	46	Very low	117 Å²	117	91 Å²	91	63%	0.626	48%	0.482	S	S	*	.			trans	-100.8	36.5	179.3	-86.8	-39.4	0	0	0	113.4	P10 K33 S37	P10-N35 VanDerWaalsContact CG-OD1 3.28Å; P10-N35 WeakPolarHBondContact CG-OD1 3.42Å; K33-N35 PolarHBondContact O-N 3.33Å; N35-S37 PolarHBondContact O-N 3.26Å
36	Q	42.2	Very low	47.3	Very low	160 Å²	160	93 Å²	93	75%	0.748	48%	0.484	S	S	*	.			trans	-72.2	114.8	166.9	-65.8	-171.1	15.4	0	0	109.6	I38	Q36-I38 PolarHBondContact O-N 3.2Å; Q36-I38 VanDerWaalsContact O-N 3.13Å
37	S	46	Very low	48.4	Very low	59 Å²	59	84.6 Å²	84.6	41%	0.413	45%	0.451	S	S	.	.			trans	-64.1	111.5	173.1	56.7	0	0	0	0	109.7	N35 S39	N35-S37 PolarHBondContact O-N 3.26Å; S37-S39 PolarHBondContact O-N 3.42Å
38	I	51.2	Low	50.2	Low	76 Å²	76	81 Å²	81	39%	0.39	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	111.2	-178.4	-52.3	177.5	0	0	0	108.3	R8 Q36 E40	R8-I38 HydrophobicContact CB-CB 4.3Å; R8-I38 PolarHBondContact N-O 2.9Å; R8-I38 PolarHBondContact O-N 3.01Å; Q36-I38 PolarHBondContact O-N 3.2Å; Q36-I38 VanDerWaalsContact O-N 3.13Å; I38-E40 HydrophobicContact CG2-CG 3.75Å
39	S	50.1	Low	52.1	Low	61 Å²	61	77.2 Å²	77.2	43%	0.427	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.4	173	57.8	0	0	0	0	109.6	L6 S37	L6-S39 CarbonylContact O-C 3.51Å; L6-S39 WeakPolarHBondContact O-CA 3.34Å; S37-S39 PolarHBondContact O-N 3.42Å
40	E	67.8	Low	53.9	Low	10 Å²	10	74.7 Å²	74.7	5%	0.047	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.3	-178.6	-59.2	-154.5	144.6	0	0	110.4	T5 L6 I38 F42 F51 F81 R89	T5-E40 CarbonylContact C-O 3.57Å; T5-E40 WeakPolarHBondContact CA-O 3.35Å; L6-E40 PolarHBondContact N-O 3.3Å; L6-E40 PolarHBondContact O-N 3.01Å; I38-E40 HydrophobicContact CG2-CG 3.75Å; E40-F42 HydrophobicContact CB-CE2 3.48Å; E40-F42 VanDerWaalsContact CB-CE2 3.48Å; E40-F42 HydrophobicContact CB-CZ 3.79Å; E40-F51 HydrophobicContact CB-CD2 4.38Å; E40-F51 HydrophobicContact CB-CE2 3.97Å; E40-F51 HydrophobicContact CG-CE2 4.27Å; E40-F81 WeakPolarHBondContact OE2-CE1 3.31Å; E40-F81 VanDerWaalsContact OE2-CZ 3.28Å; E40-F81 WeakPolarHBondContact OE2-CZ 3.38Å; E40-R89 IonicContact OE1-CZ 2.67Å; E40-R89 IonicContact OE1-NE 3.96Å; E40-R89 PolarHBondContact OE1-NE 3.42Å; E40-R89 IonicContact OE1-NH2 3.22Å; E40-R89 PolarHBondContact OE1-NH2 2.65Å
41	S	67.9	Low	55.6	Low	6 Å²	6	71.2 Å²	71.2	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.8	-177.3	-64.7	0	0	0	0	110.7	T5 L52 Q54	T5-S41 PolarHBondContact OG1-OG 3.12Å; S41-L52 WeakPolarHBondContact O-CB 3.31Å; S41-L52 PolarHBondContact O-N 2.8Å; S41-Q54 PolarHBondContact OG-OE1 3.19Å
42	F	69.1	Low	56.7	Low	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.1	-178.1	-64.1	-86	0	0	0	111.6	L3 V4 L6 E40 A49 L50 F51 F81 I90	L3-F42 WeakPolarHBondContact CA-O 3.26Å; V4-F42 PolarHBondContact N-O 3.14Å; V4-F42 PolarHBondContact O-N 3.29Å; L6-F42 HydrophobicContact CB-CE2 4.49Å; L6-F42 HydrophobicContact CD1-CD2 3.81Å; L6-F42 HydrophobicContact CD1-CE2 3.89Å; L6-F42 HydrophobicContact CG-CD2 4.07Å; L6-F42 HydrophobicContact CG-CE2 4.29Å; E40-F42 HydrophobicContact CB-CE2 3.48Å; E40-F42 VanDerWaalsContact CB-CE2 3.48Å; E40-F42 HydrophobicContact CB-CZ 3.79Å; F42-A49 HydrophobicContact CB-CB 4.46Å; F42-L50 CarbonylContact C-O 3.42Å; F42-L50 WeakPolarHBondContact CA-O 3.28Å; F42-F51 HydrophobicContact CD1-CB 4.14Å; F42-F51 HydrophobicContact CD1-CD2 4.47Å; F42-F51 HydrophobicContact CE1-CB 3.74Å; F42-F51 AromaticContact CE1-CD2 3.81Å; F42-F51 HydrophobicContact CE1-CD2 3.81Å; F42-F51 HydrophobicContact CE1-CG 4.24Å; F42-F51 AromaticContact CZ-CD2 3.81Å; F42-F51 HydrophobicContact CZ-CD2 3.81Å; F42-F81 HydrophobicContact CE1-CZ 4.43Å; F42-F81 AromaticContact CE2-CE2 3.89Å; F42-F81 HydrophobicContact CE2-CE2 3.89Å; F42-F81 AromaticContact CE2-CZ 3.9Å; F42-F81 HydrophobicContact CE2-CZ 3.9Å; F42-F81 AromaticContact CZ-CE2 3.89Å; F42-F81 HydrophobicContact CZ-CE2 3.89Å; F42-F81 AromaticContact CZ-CZ 3.51Å; F42-F81 HydrophobicContact CZ-CZ 3.51Å; F42-I90 HydrophobicContact CE1-CB 4.23Å; F42-I90 HydrophobicContact CE1-CG2 4.34Å
43	F	69.1	Low	57.3	Low	61 Å²	61	66.1 Å²	66.1	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.9	167.6	-171.8	-97	0	0	0	109	M1 V45 A49 L50 L52	M1-F43 HydrophobicContact CB-CE1 4.34Å; M1-F43 HydrophobicContact CB-CE2 4.38Å; M1-F43 HydrophobicContact CB-CZ 3.9Å; M1-F43 HydrophobicContact CE-CZ 4.35Å; M1-F43 HydrophobicContact CG-CE1 4.42Å; M1-F43 HydrophobicContact CG-CZ 4.23Å; M1-F43 HydrophobicContact SD-CE1 3.62Å; M1-F43 HydrophobicContact SD-CZ 3.45Å; M1-F43 WeakPolarHBondContact SD-CZ 3.28Å; F43-V45 HydrophobicContact CD1-CG1 3.89Å; F43-V45 HydrophobicContact CE1-CG1 3.57Å; F43-A49 WeakPolarHBondContact O-CA 3.28Å; F43-L50 PolarHBondContact N-O 3.05Å; F43-L50 PolarHBondContact O-N 3.18Å; F43-L52 HydrophobicContact CB-CD1 4.46Å; F43-L52 HydrophobicContact CB-CD2 4.2Å; F43-L52 HydrophobicContact CB-CG 4.3Å
44	M	65.3	Low	57.7	Low	8 Å²	8	64.8 Å²	64.8	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.3	-178	-56.4	-161.9	-45.1	0	0	112.5	M1 A2 V4 A48 A49 A70 L73 P74 L77	M1-M44 WeakPolarHBondContact CA-O 3.36Å; A2-M44 HydrophobicContact CB-CE 4.39Å; A2-M44 PolarHBondContact N-O 3.5Å; A2-M44 WeakPolarHBondContact O-CB 3.4Å; A2-M44 PolarHBondContact O-N 3.01Å; V4-M44 HydrophobicContact CB-CE 4.41Å; V4-M44 HydrophobicContact CB-SD 4.34Å; V4-M44 HydrophobicContact CG2-CE 3.49Å; V4-M44 VanDerWaalsContact CG2-CE 3.49Å; V4-M44 HydrophobicContact CG2-SD 4.03Å; M44-A48 WeakPolarHBondContact CA-O 3.35Å; M44-A49 HydrophobicContact CG-CB 3.99Å; M44-A70 HydrophobicContact CE-CB 3.65Å; M44-L73 HydrophobicContact SD-CD2 4.21Å; M44-L73 HydrophobicContact SD-CG 4.15Å; M44-P74 HydrophobicContact CE-CB 4.05Å; M44-P74 HydrophobicContact CE-CG 3.96Å; M44-P74 HydrophobicContact SD-CB 4.04Å; M44-P74 HydrophobicContact SD-CG 4.41Å; M44-L77 HydrophobicContact SD-CD1 4.22Å
45	V	58.5	Low	57.8	Low	19 Å²	19	60.4 Å²	60.4	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	174.4	172.9	-54.8	0	0	0	0	109.8	M1 F43 G47 A48 Q175	M1-V45 HydrophobicContact CG-CG1 3.97Å; M1-V45 HydrophobicContact SD-CG1 3.83Å; F43-V45 HydrophobicContact CD1-CG1 3.89Å; F43-V45 HydrophobicContact CE1-CG1 3.57Å; V45-G47 PolarHBondContact O-N 2.94Å; V45-A48 HydrophobicContact CG2-CB 3.76Å; V45-A48 PolarHBondContact N-O 3.34Å; V45-A48 PolarHBondContact O-N 3.43Å; V45-A48 VanDerWaalsContact O-O 3.09Å; V45-Q175 HydrophobicContact CB-CG 4.5Å; V45-Q175 HydrophobicContact CG2-CG 4.25Å
46	K	60.7	Low	57.6	Low	177 Å²	177	59.2 Å²	59.2	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	93.6	-174.3	-169.9	179.8	177.6	-173.9	0	111	S173	K46-S173 PolarHBondContact O-OG 2.73Å
47	G	61.1	Low	57	Low	15 Å²	15	58.2 Å²	58.2	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	1.9	-179	0	0	0	0	0	115.7	V45 R95	V45-G47 PolarHBondContact O-N 2.94Å; G47-R95 PolarHBondContact O-N 3.49Å
48	A	68.8	Low	56.4	Low	1 Å²	1	60.3 Å²	60.3	1%	0.008	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.3	176.9	0	0	0	0	0	113.7	M44 V45 A93 V94 A176	M44-A48 WeakPolarHBondContact CA-O 3.35Å; V45-A48 HydrophobicContact CG2-CB 3.76Å; V45-A48 PolarHBondContact N-O 3.34Å; V45-A48 PolarHBondContact O-N 3.43Å; V45-A48 VanDerWaalsContact O-O 3.09Å; A48-A93 CarbonylContact C-O 3.56Å; A48-A93 VanDerWaalsContact CA-O 3.23Å; A48-A93 WeakPolarHBondContact CA-O 3.43Å; A48-V94 HydrophobicContact CB-CG2 3.77Å; A48-A176 HydrophobicContact CB-CB 3.88Å
49	A	74.9	Confident	55.6	Low	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	172.5	0	0	0	0	0	110	F42 F43 M44 L73 L77 L92 A93	F42-A49 HydrophobicContact CB-CB 4.46Å; F43-A49 WeakPolarHBondContact O-CA 3.28Å; M44-A49 HydrophobicContact CG-CB 3.99Å; A49-L73 HydrophobicContact CB-CD1 4.45Å; A49-L73 HydrophobicContact CB-CD2 4.06Å; A49-L73 HydrophobicContact CB-CG 4.45Å; A49-L77 HydrophobicContact CB-CD1 3.77Å; A49-L77 HydrophobicContact CB-CD2 4.48Å; A49-L92 CarbonylContact O-C 3.6Å; A49-L92 WeakPolarHBondContact O-CA 3.49Å; A49-A93 PolarHBondContact N-O 3.39Å; A49-A93 PolarHBondContact O-N 2.99Å
50	L	71.8	Confident	54.8	Low	63 Å²	63	64.6 Å²	64.6	33%	0.33	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.5	179.1	-177.2	72.8	0	0	0	109.8	F42 F43 L92 V183	F42-L50 CarbonylContact C-O 3.42Å; F42-L50 WeakPolarHBondContact CA-O 3.28Å; F43-L50 PolarHBondContact N-O 3.05Å; F43-L50 PolarHBondContact O-N 3.18Å; L50-L92 HydrophobicContact CB-CD1 4.18Å; L50-L92 HydrophobicContact CD1-CB 4.47Å; L50-L92 HydrophobicContact CD1-CD1 3.86Å; L50-V183 HydrophobicContact CD1-CG2 3.67Å
51	F	73.3	Confident	53.1	Low	27 Å²	27	69.7 Å²	69.7	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.6	178	176.1	-111.4	0	0	0	112.5	E40 F42 Q53 R89 I90 K91	E40-F51 HydrophobicContact CB-CD2 4.38Å; E40-F51 HydrophobicContact CB-CE2 3.97Å; E40-F51 HydrophobicContact CG-CE2 4.27Å; F42-F51 HydrophobicContact CD1-CB 4.14Å; F42-F51 HydrophobicContact CD1-CD2 4.47Å; F42-F51 HydrophobicContact CE1-CB 3.74Å; F42-F51 AromaticContact CE1-CD2 3.81Å; F42-F51 HydrophobicContact CE1-CD2 3.81Å; F42-F51 HydrophobicContact CE1-CG 4.24Å; F42-F51 AromaticContact CZ-CD2 3.81Å; F42-F51 HydrophobicContact CZ-CD2 3.81Å; F51-Q53 HydrophobicContact CE1-CB 4.13Å; F51-R89 VanDerWaalsContact CZ-NH2 3.28Å; F51-I90 WeakPolarHBondContact CB-O 3.37Å; F51-K91 WeakPolarHBondContact CB-O 3.49Å; F51-K91 PolarHBondContact N-O 3.35Å
52	L	56.7	Low	51.3	Low	67 Å²	67	78.1 Å²	78.1	35%	0.351	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.3	170.8	-62.4	174.7	0	0	0	109.6	L3 S41 F43 Q54	L3-L52 HydrophobicContact CD1-CD1 3.45Å; L3-L52 VanDerWaalsContact CD1-CD1 3.45Å; S41-L52 WeakPolarHBondContact O-CB 3.31Å; S41-L52 PolarHBondContact O-N 2.8Å; F43-L52 HydrophobicContact CB-CD1 4.46Å; F43-L52 HydrophobicContact CB-CD2 4.2Å; F43-L52 HydrophobicContact CB-CG 4.3Å; L52-Q54 PolarHBondContact O-N 3.06Å
53	Q	47	Very low	49.5	Very low	170 Å²	170	83.9 Å²	83.9	79%	0.794	49%	0.492	S	S	*	.			trans	-71.4	77.3	176.3	-168.7	172.9	4.2	0	0	110.7	F51 G55	F51-Q53 HydrophobicContact CE1-CB 4.13Å; Q53-G55 PolarHBondContact O-N 3.38Å; Q53-G55 VanDerWaalsContact O-N 3.17Å
54	Q	43.8	Very low	47.9	Very low	111 Å²	111	86.7 Å²	86.7	52%	0.519	52%	0.517	S	S	.	.			trans	-70.1	109.2	-174.2	-167.2	164	-0	0	0	110.3	S41 L52	S41-Q54 PolarHBondContact OG-OE1 3.19Å; L52-Q54 PolarHBondContact O-N 3.06Å
55	G	34.3	Very low	46.3	Very low	61 Å²	61	90.8 Å²	90.8	63%	0.629	54%	0.542	S	S	*	.			trans	-55.5	139	171.3	0	0	0	0	0	110.8	Q53 N57	Q53-G55 PolarHBondContact O-N 3.38Å; Q53-G55 VanDerWaalsContact O-N 3.17Å; G55-N57 PolarHBondContact O-N 3.1Å
56	G	30.3	Very low	45.2	Very low	91 Å²	91	99.1 Å²	99.1	94%	0.938	58%	0.579	S	S	*	*	S	Bend	trans	-65.3	91.9	-166	0	0	0	0	0	114.1
57	N	28.5	Very low	44.2	Very low	139 Å²	139	95.8 Å²	95.8	74%	0.743	57%	0.566	S	S	*	*			trans	-146.9	116.9	166.2	-152	-6.2	0	0	0	110.1	G55 Q59	G55-N57 PolarHBondContact O-N 3.1Å; N57-Q59 PolarHBondContact O-N 2.95Å
58	A	34.8	Very low	43	Very low	103 Å²	103	104.7 Å²	104.7	85%	0.851	60%	0.601	S	S	*	*			trans	-80.9	105.3	-168.1	0	0	0	0	0	112
59	Q	34.2	Very low	41.6	Very low	167 Å²	167	113.7 Å²	113.7	78%	0.78	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-97.4	136.3	161.7	-69.6	-161.4	-0.8	0	0	110.6	N57	N57-Q59 PolarHBondContact O-N 2.95Å
60	G	32.2	Very low	40.1	Very low	61 Å²	61	115.2 Å²	115.2	63%	0.629	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-66.8	167.5	-176.4	0	0	0	0	0	114.4	K62	G60-K62 PolarHBondContact O-N 3.19Å
61	P	33.2	Very low	39.6	Very low	116 Å²	116	114.7 Å²	114.7	75%	0.753	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-66.5	118.9	-169.2	27	-35.2	0	0	0	112.4
62	K	30.9	Very low	39.5	Very low	183 Å²	183	115.9 Å²	115.9	80%	0.796	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-86.2	136.7	156.4	-69.3	177	-178.6	170.5	0	108.1	G60	G60-K62 PolarHBondContact O-N 3.19Å
63	T	30.7	Very low	40.5	Very low	122 Å²	122	113 Å²	113	75%	0.748	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-64.3	145.6	-178.8	41.9	0	0	0	0	111.3	T65	T63-T65 PolarHBondContact O-N 2.86Å; T63-T65 VanDerWaalsContact O-N 3.07Å
64	P	34.3	Very low	42	Very low	120 Å²	120	106.5 Å²	106.5	78%	0.779	63%	0.63	S	S	*	*			trans	-66.3	111.2	178.7	26.8	-33.8	0	0	0	110.1	H66	P64-H66 PolarHBondContact O-N 3.47Å
65	T	32.7	Very low	43.8	Very low	94 Å²	94	106 Å²	106	58%	0.577	63%	0.628	S	S	*	*			trans	-69.7	123.2	174.8	35.8	0	0	0	0	110	T63 H67	T63-T65 PolarHBondContact O-N 2.86Å; T63-T65 VanDerWaalsContact O-N 3.07Å; T65-H67 VanDerWaalsContact C-N 3.29Å; T65-H67 VanDerWaalsContact CB-NE2 3.33Å; T65-H67 WeakPolarHBondContact CB-NE2 3.48Å; T65-H67 PolarHBondContact O-CD2 2.97Å; T65-H67 PolarHBondContact O-N 3.35Å; T65-H67 PolarHBondContact OG1-CD2 2.88Å; T65-H67 VanDerWaalsContact OG1-CD2 3.28Å; T65-H67 PolarHBondContact OG1-NE2 3.29Å
66	H	34.7	Very low	46.2	Very low	193 Å²	193	103.2 Å²	103.2	89%	0.894	60%	0.598	S	S	*	*			trans	-76.4	74.1	-171	-135.5	-68.9	0	0	0	111.8	P64 K68	P64-H66 PolarHBondContact O-N 3.47Å; H66-K68 PolarHBondContact O-N 2.93Å
67	H	40.2	Very low	48.9	Very low	108 Å²	108	98.9 Å²	98.9	50%	0.5	55%	0.553	S	S	.	*			trans	-76.1	107.9	-174.8	-69.8	-73.8	0	0	0	112.6	T65 H69 A70	T65-H67 VanDerWaalsContact C-N 3.29Å; T65-H67 VanDerWaalsContact CB-NE2 3.33Å; T65-H67 WeakPolarHBondContact CB-NE2 3.48Å; T65-H67 PolarHBondContact O-CD2 2.97Å; T65-H67 PolarHBondContact O-N 3.35Å; T65-H67 PolarHBondContact OG1-CD2 2.88Å; T65-H67 VanDerWaalsContact OG1-CD2 3.28Å; T65-H67 PolarHBondContact OG1-NE2 3.29Å; H67-H69 PolarHBondContact O-N 3.2Å; H67-A70 PolarHBondContact O-N 3.42Å
68	K	36.8	Very low	51.5	Low	201 Å²	201	95.2 Å²	95.2	87%	0.874	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-0.7	179.1	-64.3	-174.3	176.7	-177.2	0	116.6	H66	H66-K68 PolarHBondContact O-N 2.93Å
69	H	38	Very low	54	Low	190 Å²	190	90.8 Å²	90.8	88%	0.88	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	0.4	-174.4	-68	75.3	0	0	0	113.8	H67	H67-H69 PolarHBondContact O-N 3.2Å
70	A	44.4	Very low	56.6	Low	32 Å²	32	82.9 Å²	82.9	26%	0.264	46%	0.457	S	S	.	.	S	Bend	trans	-87.9	-20.1	-178.1	0	0	0	0	0	114.6	M44 H67 P74	M44-A70 HydrophobicContact CE-CB 3.65Å; H67-A70 PolarHBondContact O-N 3.42Å; A70-P74 HydrophobicContact CB-CG 4.31Å
71	G	60.1	Low	59.2	Low	53 Å²	53	80.7 Å²	80.7	55%	0.546	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-155.7	-168.7	0	0	0	0	0	112.8	L73 P74	G71-L73 VanDerWaalsContact C-N 3.33Å; G71-L73 PolarHBondContact O-N 2.85Å; G71-P74 WeakPolarHBondContact O-CD 3.5Å
72	D	72.1	Confident	61.6	Low	51 Å²	51	83 Å²	83	27%	0.273	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.5	-168.5	-17.7	-56.3	0	0	0	113.1	Q75 H76 R95	D72-Q75 WeakPolarHBondContact O-CB 3.43Å; D72-Q75 PolarHBondContact O-N 3.26Å; D72-H76 PolarHBondContact O-N 2.96Å; D72-R95 IonicContact OD2-CZ 3.7Å; D72-R95 IonicContact OD2-NH1 2.74Å; D72-R95 PolarHBondContact OD2-NH1 3.3Å
73	L	76.8	Confident	64.2	Low	7 Å²	7	76.6 Å²	76.6	4%	0.037	40%	0.403	C	S	.	.	H	α-helix	trans	-48.2	-50.6	-175	175.8	59.1	0	0	0	115.5	M44 A49 G71 Q75 H76 L77 Y106	M44-L73 HydrophobicContact SD-CD2 4.21Å; M44-L73 HydrophobicContact SD-CG 4.15Å; A49-L73 HydrophobicContact CB-CD1 4.45Å; A49-L73 HydrophobicContact CB-CD2 4.06Å; A49-L73 HydrophobicContact CB-CG 4.45Å; G71-L73 VanDerWaalsContact C-N 3.33Å; G71-L73 PolarHBondContact O-N 2.85Å; L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 3.22Å; L73-H76 PolarHBondContact O-N 3.23Å; L73-L77 HydrophobicContact CD1-CD1 4.15Å; L73-L77 HydrophobicContact CD1-CG 4.02Å; L73-L77 HydrophobicContact CG-CD1 4.21Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.92Å; L73-Y106 HydrophobicContact CD1-CE1 3.74Å
74	P	78.4	Confident	66.9	Low	33 Å²	33	71.2 Å²	71.2	21%	0.214	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-29.3	178.5	24.4	-34.7	0	0	0	113.5	V4 M44 A70 G71 Q78	V4-P74 HydrophobicContact CG1-CB 4.44Å; M44-P74 HydrophobicContact CE-CB 4.05Å; M44-P74 HydrophobicContact CE-CG 3.96Å; M44-P74 HydrophobicContact SD-CB 4.04Å; M44-P74 HydrophobicContact SD-CG 4.41Å; A70-P74 HydrophobicContact CB-CG 4.31Å; G71-P74 WeakPolarHBondContact O-CD 3.5Å; P74-Q78 PolarHBondContact O-N 3.4Å
75	Q	81.5	Confident	69.5	Low	102 Å²	102	68 Å²	68	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-75.8	-38.1	174.8	178.5	57.9	32.9	0	0	111.1	D72 L73 Q78	D72-Q75 WeakPolarHBondContact O-CB 3.43Å; D72-Q75 PolarHBondContact O-N 3.26Å; L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 3.22Å; Q75-Q78 PolarHBondContact O-N 3.08Å
76	H	86.5	Confident	71.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-41.2	174.3	-69.9	157.4	0	0	0	112.9	D72 L73 Q78 V79 M80 Y106 F128 K131	D72-H76 PolarHBondContact O-N 2.96Å; L73-H76 PolarHBondContact O-N 3.23Å; H76-Q78 VanDerWaalsContact C-N 3.29Å; H76-Q78 PolarHBondContact O-N 3.22Å; H76-V79 WeakPolarHBondContact O-CA 3.35Å; H76-V79 WeakPolarHBondContact O-CB 3.49Å; H76-V79 PolarHBondContact O-N 2.96Å; H76-M80 HydrophobicContact CB-CE 4.31Å; H76-M80 WeakPolarHBondContact O-CG 3.37Å; H76-M80 PolarHBondContact O-N 2.96Å; H76-Y106 HydrophobicContact CB-CE2 4.08Å; H76-Y106 AromaticContact ND1-CE2 3.56Å; H76-Y106 AromaticContact ND1-CZ 3.66Å; H76-Y106 PolarHBondContact ND1-OH 2.91Å; H76-F128 HydrophobicContact CB-CE1 3.83Å; H76-F128 HydrophobicContact CB-CE2 4.13Å; H76-F128 HydrophobicContact CB-CZ 3.58Å; H76-F128 AromaticContact CD2-CD1 3.32Å; H76-F128 WeakPolarHBondContact CD2-CD1 3.42Å; H76-F128 AromaticContact CD2-CE1 3.21Å; H76-F128 WeakPolarHBondContact CD2-CE1 3.39Å; H76-F128 AromaticContact CD2-CZ 3.89Å; H76-F128 AromaticContact CG-CD1 3.94Å; H76-F128 AromaticContact CG-CE1 3.65Å; H76-F128 AromaticContact CG-CZ 3.83Å; H76-F128 AromaticContact NE2-CD1 3.59Å; H76-F128 AromaticContact NE2-CE1 3.99Å; H76-K131 PolarHBondContact CE1-O 3.21Å; H76-K131 PolarHBondContact NE2-O 3.28Å; H76-K131 VanDerWaalsContact NE2-O 3.07Å
77	L	85.8	Confident	74.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.9	-44	173.9	-73.3	167.3	0	0	0	111.7	L6 M44 A49 L73 V79 M80 F81 I90 A93	L6-L77 HydrophobicContact CD1-CB 3.67Å; L6-L77 HydrophobicContact CD1-CD1 4.23Å; M44-L77 HydrophobicContact SD-CD1 4.22Å; A49-L77 HydrophobicContact CB-CD1 3.77Å; A49-L77 HydrophobicContact CB-CD2 4.48Å; L73-L77 HydrophobicContact CD1-CD1 4.15Å; L73-L77 HydrophobicContact CD1-CG 4.02Å; L73-L77 HydrophobicContact CG-CD1 4.21Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.92Å; L77-V79 PolarHBondContact O-N 3.26Å; L77-V79 VanDerWaalsContact O-N 3.14Å; L77-M80 HydrophobicContact CD2-SD 3.92Å; L77-M80 PolarHBondContact O-N 3.44Å; L77-M80 VanDerWaalsContact O-N 3.12Å; L77-F81 VanDerWaalsContact O-CD2 3.22Å; L77-F81 WeakPolarHBondContact O-CD2 3.39Å; L77-F81 PolarHBondContact O-N 3.18Å; L77-I90 HydrophobicContact CD2-CD1 4.18Å; L77-A93 HydrophobicContact CD2-CB 3.85Å
78	Q	84.3	Confident	76.4	Confident	63 Å²	63	58.4 Å²	58.4	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-17.3	174.8	-79.8	-73.4	-0.9	0	0	114.7	L6 P74 Q75 H76 K82	L6-Q78 HydrophobicContact CD2-CG 4Å; P74-Q78 PolarHBondContact O-N 3.4Å; Q75-Q78 PolarHBondContact O-N 3.08Å; H76-Q78 VanDerWaalsContact C-N 3.29Å; H76-Q78 PolarHBondContact O-N 3.22Å; Q78-K82 WeakPolarHBondContact O-CE 3.35Å
79	V	86.7	Confident	78.8	Confident	10 Å²	10	52.1 Å²	52.1	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-89.8	-43.7	170.9	-174.2	0	0	0	0	110.5	H76 L77 F81 K82 F128 K134 C136	H76-V79 WeakPolarHBondContact O-CA 3.35Å; H76-V79 WeakPolarHBondContact O-CB 3.49Å; H76-V79 PolarHBondContact O-N 2.96Å; L77-V79 PolarHBondContact O-N 3.26Å; L77-V79 VanDerWaalsContact O-N 3.14Å; V79-F81 VanDerWaalsContact C-N 3.29Å; V79-F81 PolarHBondContact O-N 3.33Å; V79-K82 WeakPolarHBondContact O-CB 3.39Å; V79-K82 PolarHBondContact O-N 3.43Å; V79-F128 HydrophobicContact CB-CE1 4.01Å; V79-F128 HydrophobicContact CB-CZ 4.29Å; V79-F128 HydrophobicContact CG1-CE1 4.23Å; V79-F128 HydrophobicContact CG2-CE1 4.35Å; V79-K134 WeakPolarHBondContact CG1-O 3.37Å; V79-C136 HydrophobicContact CB-CB 4.4Å; V79-C136 HydrophobicContact CG1-CB 3.55Å
80	M	89.2	Confident	81.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-54	-44.3	176.9	-61.2	171.4	-177.9	0	0	111.9	H76 L77 K82 I83 L84 I90 A93 Y106 V108 M126 F128	H76-M80 HydrophobicContact CB-CE 4.31Å; H76-M80 WeakPolarHBondContact O-CG 3.37Å; H76-M80 PolarHBondContact O-N 2.96Å; L77-M80 HydrophobicContact CD2-SD 3.92Å; L77-M80 PolarHBondContact O-N 3.44Å; L77-M80 VanDerWaalsContact O-N 3.12Å; M80-K82 PolarHBondContact O-N 2.81Å; M80-I83 PolarHBondContact O-N 2.88Å; M80-L84 PolarHBondContact O-N 3.07Å; M80-I90 HydrophobicContact CB-CD1 4.22Å; M80-I90 HydrophobicContact SD-CD1 4.47Å; M80-A93 HydrophobicContact SD-CB 4.34Å; M80-Y106 HydrophobicContact CE-CD1 3.83Å; M80-Y106 HydrophobicContact CE-CD2 3.35Å; M80-Y106 HydrophobicContact CE-CE1 4.28Å; M80-Y106 HydrophobicContact CE-CE2 3.83Å; M80-Y106 HydrophobicContact CE-CG 3.34Å; M80-V108 HydrophobicContact CE-CG2 4.33Å; M80-V108 HydrophobicContact SD-CG2 4.01Å; M80-M126 HydrophobicContact CB-SD 3.89Å; M80-M126 HydrophobicContact CG-SD 3.61Å; M80-M126 HydrophobicContact SD-SD 4.26Å; M80-F128 HydrophobicContact CE-CE2 3.7Å; M80-F128 HydrophobicContact CE-CZ 4.08Å; M80-F128 HydrophobicContact CG-CE2 4.43Å; M80-F128 HydrophobicContact CG-CZ 4.17Å
81	F	85.4	Confident	83.4	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.066	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.8	178.8	-84.8	-66.1	0	0	0	115.8	L6 R8 E40 F42 L77 V79 L84 I90	L6-F81 HydrophobicContact CD1-CD2 3.97Å; L6-F81 HydrophobicContact CD1-CE2 3.75Å; R8-F81 PolarHBondContact NE-O 2.99Å; R8-F81 PolarHBondContact NH2-O 2.93Å; E40-F81 WeakPolarHBondContact OE2-CE1 3.31Å; E40-F81 VanDerWaalsContact OE2-CZ 3.28Å; E40-F81 WeakPolarHBondContact OE2-CZ 3.38Å; F42-F81 HydrophobicContact CE1-CZ 4.43Å; F42-F81 AromaticContact CE2-CE2 3.89Å; F42-F81 HydrophobicContact CE2-CE2 3.89Å; F42-F81 AromaticContact CE2-CZ 3.9Å; F42-F81 HydrophobicContact CE2-CZ 3.9Å; F42-F81 AromaticContact CZ-CE2 3.89Å; F42-F81 HydrophobicContact CZ-CE2 3.89Å; F42-F81 AromaticContact CZ-CZ 3.51Å; F42-F81 HydrophobicContact CZ-CZ 3.51Å; L77-F81 VanDerWaalsContact O-CD2 3.22Å; L77-F81 WeakPolarHBondContact O-CD2 3.39Å; L77-F81 PolarHBondContact O-N 3.18Å; V79-F81 VanDerWaalsContact C-N 3.29Å; V79-F81 PolarHBondContact O-N 3.33Å; F81-L84 HydrophobicContact CD1-CD1 4.49Å; F81-I90 HydrophobicContact CD2-CD1 4.32Å; F81-I90 HydrophobicContact CE1-CD1 4.12Å; F81-I90 HydrophobicContact CE1-CG1 4.02Å; F81-I90 HydrophobicContact CE2-CD1 3.71Å; F81-I90 HydrophobicContact CE2-CG1 4.37Å; F81-I90 HydrophobicContact CZ-CB 4.01Å; F81-I90 HydrophobicContact CZ-CD1 3.57Å; F81-I90 HydrophobicContact CZ-CG1 3.72Å
82	K	83.9	Confident	85	Confident	164 Å²	164	40.4 Å²	40.4	71%	0.713	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.2	176.4	-62.1	172.6	-177	168.3	0	113.1	Q78 V79 M80	Q78-K82 WeakPolarHBondContact O-CE 3.35Å; V79-K82 WeakPolarHBondContact O-CB 3.39Å; V79-K82 PolarHBondContact O-N 3.43Å; M80-K82 PolarHBondContact O-N 2.81Å
83	I	86.4	Confident	86	Confident	50 Å²	50	38 Å²	38	26%	0.256	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-32.7	-179.2	-61.7	174.8	0	0	0	110.9	M80 C136 I138	M80-I83 PolarHBondContact O-N 2.88Å; I83-C136 HydrophobicContact CD1-CB 3.6Å; I83-C136 VanDerWaalsContact CD1-O 3.27Å; I83-C136 WeakPolarHBondContact CD1-O 3.17Å; I83-I138 HydrophobicContact CG2-CD1 3.84Å; I83-I138 HydrophobicContact CG2-CG1 4.1Å
84	L	87.9	Confident	86.7	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	18%	0.18	C	C	.	.	S	Bend	trans	-64.5	151.2	173.7	-62	178	0	0	0	111.9	R8 M80 F81 I90 I110 L124 M126 Y209	R8-L84 PolarHBondContact NH2-O 3.29Å; M80-L84 PolarHBondContact O-N 3.07Å; F81-L84 HydrophobicContact CD1-CD1 4.49Å; L84-I90 HydrophobicContact CD1-CD1 3.94Å; L84-I90 HydrophobicContact CD1-CG1 3.49Å; L84-I90 VanDerWaalsContact CD1-CG1 3.49Å; L84-I110 HydrophobicContact CD1-CG2 4.1Å; L84-I110 HydrophobicContact CD2-CD1 3.91Å; L84-I110 HydrophobicContact CD2-CG2 3.97Å; L84-L124 HydrophobicContact CD2-CD1 3.82Å; L84-M126 HydrophobicContact CD2-CE 3.73Å; L84-M126 HydrophobicContact CG-CE 4.3Å; L84-Y209 WeakPolarHBondContact CA-OH 3.32Å; L84-Y209 HydrophobicContact CD2-CE1 3.93Å; L84-Y209 WeakPolarHBondContact CD2-OH 3.45Å
85	R	87.2	Confident	87.2	Confident	53 Å²	53	38.9 Å²	38.9	20%	0.2	18%	0.18	C	C	.	.			trans	-63.6	162.8	169.9	-55.5	-175.2	-59.5	134.7	4.5	110.9	R8 E87 D88 F208 Y209	R8-R85 VanDerWaalsContact CZ-O 3.27Å; R8-R85 PolarHBondContact NH1-O 3.18Å; R8-R85 PolarHBondContact NH2-O 3.04Å; R85-E87 VanDerWaalsContact C-N 3.29Å; R85-E87 IonicContact CZ-OE2 2.69Å; R85-E87 IonicContact NH1-OE2 3.23Å; R85-E87 PolarHBondContact NH1-OE2 2.95Å; R85-E87 IonicContact NH2-OE2 2.65Å; R85-E87 PolarHBondContact O-N 3.2Å; R85-D88 HydrophobicContact CB-CB 4.5Å; R85-D88 WeakPolarHBondContact CB-OD2 3.06Å; R85-D88 IonicContact CZ-OD1 2.83Å; R85-D88 IonicContact CZ-OD2 3.55Å; R85-D88 IonicContact NE-OD1 3.81Å; R85-D88 IonicContact NE-OD2 3.97Å; R85-D88 PolarHBondContact NE-OD2 3.26Å; R85-D88 IonicContact NH2-OD1 3.81Å; R85-D88 PolarHBondContact NH2-OD1 3.33Å; R85-D88 IonicContact NH2-OD2 2.68Å; R85-D88 PolarHBondContact NH2-OD2 3.49Å; R85-D88 PolarHBondContact O-N 2.89Å; R85-F208 HydrophobicContact CG-CD1 3.66Å; R85-F208 HydrophobicContact CG-CE1 3.47Å; R85-F208 VanDerWaalsContact CG-CE1 3.47Å; R85-F208 HydrophobicContact CG-CG 4.32Å; R85-F208 HydrophobicContact CG-CZ 3.97Å; R85-Y209 PolarHBondContact N-OH 3.27Å
86	S	78.8	Confident	87.6	Confident	71 Å²	71	34.3 Å²	34.3	50%	0.497	16%	0.159	S	C	.	.	S	Bend	trans	-60.1	-36.2	178.4	38	0	0	0	0	113.6	R8	R8-S86 PolarHBondContact NH1-O 2.88Å; R8-S86 VanDerWaalsContact NH1-O 3.17Å
87	E	85.3	Confident	87.5	Confident	121 Å²	121	39.4 Å²	39.4	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	-78.1	-25.8	-179.2	-67.1	136	-142.9	0	0	113.6	R85	R85-E87 VanDerWaalsContact C-N 3.29Å; R85-E87 IonicContact CZ-OE2 2.69Å; R85-E87 IonicContact NH1-OE2 3.23Å; R85-E87 PolarHBondContact NH1-OE2 2.95Å; R85-E87 IonicContact NH2-OE2 2.65Å; R85-E87 PolarHBondContact O-N 3.2Å
88	D	89	Confident	87.1	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.194	C	C	.	.			trans	-87.3	139.8	-170.6	-62.7	-26.2	0	0	0	112.1	R85 T112 Y209	R85-D88 HydrophobicContact CB-CB 4.5Å; R85-D88 WeakPolarHBondContact CB-OD2 3.06Å; R85-D88 IonicContact CZ-OD1 2.83Å; R85-D88 IonicContact CZ-OD2 3.55Å; R85-D88 IonicContact NE-OD1 3.81Å; R85-D88 IonicContact NE-OD2 3.97Å; R85-D88 PolarHBondContact NE-OD2 3.26Å; R85-D88 IonicContact NH2-OD1 3.81Å; R85-D88 PolarHBondContact NH2-OD1 3.33Å; R85-D88 IonicContact NH2-OD2 2.68Å; R85-D88 PolarHBondContact NH2-OD2 3.49Å; R85-D88 PolarHBondContact O-N 2.89Å; D88-T112 WeakPolarHBondContact OD1-CB 3.35Å; D88-T112 PolarHBondContact OD1-OG1 3.15Å; D88-Y209 WeakPolarHBondContact OD2-CE2 3.38Å; D88-Y209 VanDerWaalsContact OD2-CZ 3.29Å; D88-Y209 PolarHBondContact OD2-OH 3.13Å
89	R	87.6	Confident	86.1	Confident	69 Å²	69	41.7 Å²	41.7	26%	0.26	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.1	-172	-49.6	-171.6	73.4	-174.8	15.5	110.9	E40 F51 I110 Y111	E40-R89 IonicContact OE1-CZ 2.67Å; E40-R89 IonicContact OE1-NE 3.96Å; E40-R89 PolarHBondContact OE1-NE 3.42Å; E40-R89 IonicContact OE1-NH2 3.22Å; E40-R89 PolarHBondContact OE1-NH2 2.65Å; F51-R89 VanDerWaalsContact CZ-NH2 3.28Å; R89-I110 CarbonylContact O-C 3.5Å; R89-I110 VanDerWaalsContact O-CA 3.25Å; R89-I110 WeakPolarHBondContact O-CA 3.36Å; R89-I110 WeakPolarHBondContact O-CB 3.27Å; R89-Y111 HydrophobicContact CB-CD1 3.79Å; R89-Y111 HydrophobicContact CB-CE1 3.5Å; R89-Y111 HydrophobicContact CG-CE1 4.25Å; R89-Y111 PolarHBondContact N-O 3.46Å; R89-Y111 PolarHBondContact NH1-OH 2.95Å; R89-Y111 PolarHBondContact O-N 3.31Å
90	I	90.9	Very high	85.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.5	173.9	-60.6	-177.4	0	0	0	108.5	F42 F51 L77 M80 F81 L84 A93 V108 I110	F42-I90 HydrophobicContact CE1-CB 4.23Å; F42-I90 HydrophobicContact CE1-CG2 4.34Å; F51-I90 WeakPolarHBondContact CB-O 3.37Å; L77-I90 HydrophobicContact CD2-CD1 4.18Å; M80-I90 HydrophobicContact CB-CD1 4.22Å; M80-I90 HydrophobicContact SD-CD1 4.47Å; F81-I90 HydrophobicContact CD2-CD1 4.32Å; F81-I90 HydrophobicContact CE1-CD1 4.12Å; F81-I90 HydrophobicContact CE1-CG1 4.02Å; F81-I90 HydrophobicContact CE2-CD1 3.71Å; F81-I90 HydrophobicContact CE2-CG1 4.37Å; F81-I90 HydrophobicContact CZ-CB 4.01Å; F81-I90 HydrophobicContact CZ-CD1 3.57Å; F81-I90 HydrophobicContact CZ-CG1 3.72Å; L84-I90 HydrophobicContact CD1-CD1 3.94Å; L84-I90 HydrophobicContact CD1-CG1 3.49Å; L84-I90 VanDerWaalsContact CD1-CG1 3.49Å; I90-A93 HydrophobicContact CG2-CB 4.39Å; I90-V108 HydrophobicContact CB-CG1 4.44Å; I90-V108 HydrophobicContact CD1-CG1 4Å; I90-V108 HydrophobicContact CG1-CG1 3.94Å; I90-V108 HydrophobicContact CG2-CG1 3.83Å; I90-I110 HydrophobicContact CG1-CG2 4.2Å
91	K	88.8	Confident	83.9	Confident	29 Å²	29	53.4 Å²	53.4	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-45	163.1	-70.9	-166.9	162.5	179.4	0	111.2	F51 V109 Y111 E119 N121 V183	F51-K91 WeakPolarHBondContact CB-O 3.49Å; F51-K91 PolarHBondContact N-O 3.35Å; K91-V109 HydrophobicContact CB-CB 4.47Å; K91-V109 PolarHBondContact N-O 3.16Å; K91-Y111 HydrophobicContact CD-CD1 4.17Å; K91-Y111 HydrophobicContact CD-CG 4.35Å; K91-Y111 HydrophobicContact CG-CD1 3.41Å; K91-Y111 VanDerWaalsContact CG-CD1 3.41Å; K91-Y111 HydrophobicContact CG-CE1 4.05Å; K91-Y111 HydrophobicContact CG-CG 4.04Å; K91-E119 WeakPolarHBondContact CE-OE2 3.44Å; K91-E119 IonicContact NZ-OE1 3.43Å; K91-E119 PolarHBondContact NZ-OE1 3.26Å; K91-E119 IonicContact NZ-OE2 2.78Å; K91-E119 PolarHBondContact NZ-OE2 3.11Å; K91-N121 WeakPolarHBondContact CD-OD1 3.18Å; K91-N121 VanDerWaalsContact CE-OD1 3.25Å; K91-N121 WeakPolarHBondContact CE-OD1 3.49Å; K91-N121 PolarHBondContact NZ-OD1 2.94Å; K91-V183 HydrophobicContact CB-CG1 4.05Å; K91-V183 HydrophobicContact CD-CG1 4.2Å
92	L	93.6	Very high	83.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.7	-172.2	-178.7	77.8	0	0	0	110	A49 L50 V94 M107 V108 V109 S179 A180 V183	A49-L92 CarbonylContact O-C 3.6Å; A49-L92 WeakPolarHBondContact O-CA 3.49Å; L50-L92 HydrophobicContact CB-CD1 4.18Å; L50-L92 HydrophobicContact CD1-CB 4.47Å; L50-L92 HydrophobicContact CD1-CD1 3.86Å; L92-V94 HydrophobicContact CD1-CG2 4.15Å; L92-V94 HydrophobicContact CD2-CG2 3.66Å; L92-V94 HydrophobicContact CG-CG2 3.83Å; L92-M107 HydrophobicContact CD2-CE 4.22Å; L92-V108 CarbonylContact O-C 3.58Å; L92-V108 WeakPolarHBondContact O-CA 3.36Å; L92-V109 HydrophobicContact CB-CB 4.32Å; L92-V109 HydrophobicContact CB-CG2 4.36Å; L92-V109 HydrophobicContact CD2-CG2 4.4Å; L92-V109 PolarHBondContact N-O 3.31Å; L92-V109 PolarHBondContact O-N 3.17Å; L92-S179 WeakPolarHBondContact CD2-O 3.49Å; L92-A180 VanDerWaalsContact CD2-CA 3.47Å; L92-A180 HydrophobicContact CD2-CB 4.27Å; L92-V183 HydrophobicContact CB-CB 4.45Å; L92-V183 HydrophobicContact CB-CG1 4.18Å; L92-V183 HydrophobicContact CB-CG2 4.24Å; L92-V183 HydrophobicContact CD2-CB 4.1Å; L92-V183 HydrophobicContact CD2-CG2 4.15Å
93	A	92.4	Very high	83.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	163.5	0	0	0	0	0	109.7	A48 A49 L77 M80 I90 V108	A48-A93 CarbonylContact C-O 3.56Å; A48-A93 VanDerWaalsContact CA-O 3.23Å; A48-A93 WeakPolarHBondContact CA-O 3.43Å; A49-A93 PolarHBondContact N-O 3.39Å; A49-A93 PolarHBondContact O-N 2.99Å; L77-A93 HydrophobicContact CD2-CB 3.85Å; M80-A93 HydrophobicContact SD-CB 4.34Å; I90-A93 HydrophobicContact CG2-CB 4.39Å; A93-V108 HydrophobicContact CB-CG1 4.35Å; A93-V108 HydrophobicContact CB-CG2 4.15Å
94	V	91.1	Very high	83.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.7	-178.3	164.3	0	0	0	0	109.5	A48 L92 L96 Y106 M107 P171 A176 A180	A48-V94 HydrophobicContact CB-CG2 3.77Å; L92-V94 HydrophobicContact CD1-CG2 4.15Å; L92-V94 HydrophobicContact CD2-CG2 3.66Å; L92-V94 HydrophobicContact CG-CG2 3.83Å; V94-L96 HydrophobicContact CG1-CD2 4.14Å; V94-Y106 CarbonylContact O-C 3.52Å; V94-Y106 VanDerWaalsContact O-CA 3.26Å; V94-Y106 WeakPolarHBondContact O-CA 3.23Å; V94-M107 HydrophobicContact CB-CE 4.34Å; V94-M107 HydrophobicContact CG2-CE 4.43Å; V94-M107 PolarHBondContact N-O 3.18Å; V94-M107 PolarHBondContact O-N 2.98Å; V94-P171 HydrophobicContact CG1-CB 3.78Å; V94-P171 HydrophobicContact CG1-CG 4.17Å; V94-A176 HydrophobicContact CG1-CB 4.11Å; V94-A180 HydrophobicContact CG2-CB 4.27Å
95	R	89.9	Confident	83.3	Confident	59 Å²	59	50.1 Å²	50.1	22%	0.223	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.7	171.8	-171.1	177.3	178	144.1	3	108.9	G47 D72 V104 Y106 V172	G47-R95 PolarHBondContact O-N 3.49Å; D72-R95 IonicContact OD2-CZ 3.7Å; D72-R95 IonicContact OD2-NH1 2.74Å; D72-R95 PolarHBondContact OD2-NH1 3.3Å; R95-V104 HydrophobicContact CG-CG1 4.02Å; R95-Y106 HydrophobicContact CB-CD1 4.01Å; R95-Y106 HydrophobicContact CB-CE1 3.62Å; R95-Y106 HydrophobicContact CG-CE1 4.08Å; R95-V172 HydrophobicContact CB-CG1 4.26Å; R95-V172 HydrophobicContact CB-CG2 3.93Å; R95-V172 HydrophobicContact CG-CG1 3.88Å; R95-V172 HydrophobicContact CG-CG2 4.28Å; R95-V172 PolarHBondContact O-N 3.43Å; R95-V172 VanDerWaalsContact O-N 3.1Å
96	L	88.6	Confident	83.6	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	157.6	174.1	-55.1	-178.3	0	0	0	111.1	V94 R105 M107 F169 K170 P171 W223	V94-L96 HydrophobicContact CG1-CD2 4.14Å; L96-R105 HydrophobicContact CB-CB 4.34Å; L96-R105 PolarHBondContact N-O 3.32Å; L96-M107 HydrophobicContact CD1-CB 4.28Å; L96-M107 HydrophobicContact CD2-CB 4.14Å; L96-M107 HydrophobicContact CG-CB 4.34Å; L96-F169 HydrophobicContact CD1-CD1 3.99Å; L96-F169 HydrophobicContact CD2-CB 4.25Å; L96-K170 CarbonylContact C-O 3.43Å; L96-K170 VanDerWaalsContact CA-O 3.25Å; L96-K170 WeakPolarHBondContact CA-O 3.43Å; L96-P171 HydrophobicContact CD2-CG 4.4Å; L96-W223 HydrophobicContact CD1-CH2 3.39Å; L96-W223 HydrophobicContact CD1-CZ3 3.45Å; L96-W223 VanDerWaalsContact CD1-CZ3 3.45Å
97	E	85.1	Confident	84.3	Confident	108 Å²	108	44.2 Å²	44.2	51%	0.505	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-66.5	151.8	162	-58.9	-170.8	157.2	0	0	110.5	R105 K170 V172	E97-R105 PolarHBondContact O-NH2 2.93Å; E97-K170 HydrophobicContact CB-CB 4.34Å; E97-K170 PolarHBondContact N-O 3.28Å; E97-V172 HydrophobicContact CG-CG1 4.09Å
98	S	76.2	Confident	84.7	Confident	34 Å²	34	38.5 Å²	38.5	24%	0.238	20%	0.199	C	C	.	.			trans	-138.7	151.1	172.3	178.1	0	0	0	0	108.4	W100 E222	S98-W100 PolarHBondContact O-N 3.04Å; S98-W100 VanDerWaalsContact O-N 3.13Å; S98-W100 PolarHBondContact OG-N 3.46Å; S98-E222 WeakPolarHBondContact CA-OE1 3.47Å; S98-E222 WeakPolarHBondContact CB-OE1 3.43Å; S98-E222 PolarHBondContact OG-OE1 2.77Å; S98-E222 PolarHBondContact OG-OE2 2.82Å
99	G	65	Low	85	Confident	77 Å²	77	38.4 Å²	38.4	79%	0.794	20%	0.199	S	C	*	.	S	Bend	trans	-66.3	-6.3	173.1	0	0	0	0	0	114	E222	G99-E222 PolarHBondContact N-OE1 3.25Å
100	W	68.4	Low	85.3	Confident	160 Å²	160	35.1 Å²	35.1	61%	0.606	19%	0.187	S	C	*	.	S	Bend	trans	-121	120.8	-174.2	-52.4	92.6	0	0	0	110.5	S98 E102 R103	S98-W100 PolarHBondContact O-N 3.04Å; S98-W100 VanDerWaalsContact O-N 3.13Å; S98-W100 PolarHBondContact OG-N 3.46Å; W100-E102 PolarHBondContact O-N 3.4Å; W100-E102 VanDerWaalsContact O-N 3.11Å; W100-R103 HydrophobicContact CB-CB 4.09Å; W100-R103 HydrophobicContact CB-CG 3.82Å; W100-R103 HydrophobicContact CG-CG 4.45Å; W100-R103 PolarHBondContact O-N 3.37Å
101	S	61.2	Low	85.4	Confident	96 Å²	96	36.6 Å²	36.6	67%	0.671	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.2	-170.8	58.1	0	0	0	0	115.4	K131	S101-K131 WeakPolarHBondContact O-CE 3.33Å; S101-K131 PolarHBondContact O-NZ 3.07Å
102	E	72.9	Confident	85.5	Confident	93 Å²	93	35.6 Å²	35.6	44%	0.435	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-20.2	-177.4	-51.3	-39.9	112.1	0	0	113.2	W100 D130 K131	W100-E102 PolarHBondContact O-N 3.4Å; W100-E102 VanDerWaalsContact O-N 3.11Å; E102-D130 WeakPolarHBondContact O-CA 3.32Å; E102-K131 IonicContact OE1-NZ 2.68Å; E102-K131 PolarHBondContact OE1-NZ 2.69Å; E102-K131 IonicContact OE2-NZ 3.28Å; E102-K131 PolarHBondContact OE2-NZ 3.46Å
103	R	81.8	Confident	85.1	Confident	49 Å²	49	40.2 Å²	40.2	19%	0.185	21%	0.213	C	C	.	.			trans	-79.2	139.4	-177.9	-66.6	-174.5	169.5	-140.5	-17.6	110.3	W100 E216 S218 F219	W100-R103 HydrophobicContact CB-CB 4.09Å; W100-R103 HydrophobicContact CB-CG 3.82Å; W100-R103 HydrophobicContact CG-CG 4.45Å; W100-R103 PolarHBondContact O-N 3.37Å; R103-E216 IonicContact CZ-OE2 3.76Å; R103-E216 IonicContact NH2-OE2 2.63Å; R103-E216 PolarHBondContact NH2-OE2 2.73Å; R103-S218 PolarHBondContact NH1-OG 3.44Å; R103-S218 PolarHBondContact NH2-OG 3.42Å; R103-S218 VanDerWaalsContact NH2-OG 3.17Å; R103-F219 HydrophobicContact CB-CE1 3.9Å; R103-F219 HydrophobicContact CB-CZ 4.12Å; R103-F219 HydrophobicContact CG-CE1 3.93Å; R103-F219 HydrophobicContact CG-CZ 3.73Å; R103-F219 VanDerWaalsContact CZ-CE2 3.46Å; R103-F219 VanDerWaalsContact NH1-CD2 3.32Å
104	V	86.2	Confident	84.3	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.6	173.6	-166.4	0	0	0	0	109.2	R95 Y106 F128 K131	R95-V104 HydrophobicContact CG-CG1 4.02Å; V104-Y106 HydrophobicContact CB-CE2 4.35Å; V104-Y106 HydrophobicContact CG1-CD2 4.17Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; V104-F128 HydrophobicContact CB-CB 4.24Å; V104-F128 PolarHBondContact N-O 2.86Å; V104-F128 VanDerWaalsContact N-O 3.11Å; V104-F128 PolarHBondContact O-N 2.63Å; V104-K131 HydrophobicContact CG2-CB 4.32Å; V104-K131 HydrophobicContact CG2-CG 3.69Å
105	R	89.4	Confident	83.2	Confident	25 Å²	25	49.4 Å²	49.4	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.9	179.1	-57.7	-167.4	-60.1	162.3	-3.4	110	L96 E97 M126 D127 F219 E222 W223	L96-R105 HydrophobicContact CB-CB 4.34Å; L96-R105 PolarHBondContact N-O 3.32Å; E97-R105 PolarHBondContact O-NH2 2.93Å; R105-M126 CarbonylContact C-O 3.52Å; R105-M126 WeakPolarHBondContact CA-O 3.33Å; R105-D127 WeakPolarHBondContact CG-OD1 3.47Å; R105-F219 HydrophobicContact CG-CD1 4.26Å; R105-F219 HydrophobicContact CG-CE1 4.25Å; R105-E222 IonicContact CZ-OE1 3.55Å; R105-E222 VanDerWaalsContact CZ-OE1 3.28Å; R105-E222 IonicContact NE-OE1 2.73Å; R105-E222 PolarHBondContact NE-OE1 2.97Å; R105-E222 PolarHBondContact NH1-O 3.02Å; R105-E222 IonicContact NH1-OE1 3.15Å; R105-E222 IonicContact NH2-OE1 3.91Å; R105-E222 PolarHBondContact NH2-OE1 3.27Å; R105-W223 HydrophobicContact CB-CH2 4.37Å; R105-W223 HydrophobicContact CB-CZ2 3.94Å; R105-W223 HydrophobicContact CG-CZ2 4.47Å
106	Y	92.6	Very high	82.2	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.2	179.2	-70.1	-84.9	0	0	0	111	L73 H76 M80 V94 R95 V104 M126 F128	L73-Y106 HydrophobicContact CD1-CE1 3.74Å; H76-Y106 HydrophobicContact CB-CE2 4.08Å; H76-Y106 AromaticContact ND1-CE2 3.56Å; H76-Y106 AromaticContact ND1-CZ 3.66Å; H76-Y106 PolarHBondContact ND1-OH 2.91Å; M80-Y106 HydrophobicContact CE-CD1 3.83Å; M80-Y106 HydrophobicContact CE-CD2 3.35Å; M80-Y106 HydrophobicContact CE-CE1 4.28Å; M80-Y106 HydrophobicContact CE-CE2 3.83Å; M80-Y106 HydrophobicContact CE-CG 3.34Å; V94-Y106 CarbonylContact O-C 3.52Å; V94-Y106 VanDerWaalsContact O-CA 3.26Å; V94-Y106 WeakPolarHBondContact O-CA 3.23Å; R95-Y106 HydrophobicContact CB-CD1 4.01Å; R95-Y106 HydrophobicContact CB-CE1 3.62Å; R95-Y106 HydrophobicContact CG-CE1 4.08Å; V104-Y106 HydrophobicContact CB-CE2 4.35Å; V104-Y106 HydrophobicContact CG1-CD2 4.17Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; Y106-M126 PolarHBondContact N-O 3.09Å; Y106-M126 PolarHBondContact O-N 3.19Å; Y106-F128 AromaticContact CD2-CD2 3.72Å; Y106-F128 HydrophobicContact CD2-CD2 3.72Å; Y106-F128 AromaticContact CD2-CE2 3.63Å; Y106-F128 HydrophobicContact CD2-CE2 3.63Å; Y106-F128 AromaticContact CE2-CD2 3.81Å; Y106-F128 HydrophobicContact CE2-CD2 3.81Å; Y106-F128 AromaticContact CE2-CE2 3.81Å; Y106-F128 HydrophobicContact CE2-CE2 3.81Å
107	M	94.1	Very high	81.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.4	159.1	-174.9	-164.1	75.7	0	0	107.7	L92 V94 L96 V109 V123 F158 F169 A180 L184	L92-M107 HydrophobicContact CD2-CE 4.22Å; V94-M107 HydrophobicContact CB-CE 4.34Å; V94-M107 HydrophobicContact CG2-CE 4.43Å; V94-M107 PolarHBondContact N-O 3.18Å; V94-M107 PolarHBondContact O-N 2.98Å; L96-M107 HydrophobicContact CD1-CB 4.28Å; L96-M107 HydrophobicContact CD2-CB 4.14Å; L96-M107 HydrophobicContact CG-CB 4.34Å; M107-V109 HydrophobicContact CE-CG2 3.9Å; M107-V123 HydrophobicContact CG-CG1 3.35Å; M107-V123 HydrophobicContact SD-CG1 4Å; M107-F158 HydrophobicContact CE-CZ 4.33Å; M107-F158 HydrophobicContact SD-CE2 4.36Å; M107-F158 HydrophobicContact SD-CZ 3.83Å; M107-F169 HydrophobicContact CB-CD1 3.88Å; M107-F169 HydrophobicContact CB-CE1 4.07Å; M107-F169 HydrophobicContact CG-CD1 3.69Å; M107-F169 HydrophobicContact CG-CE1 3.54Å; M107-F169 HydrophobicContact CG-CZ 4.39Å; M107-F169 HydrophobicContact SD-CD1 3.66Å; M107-F169 HydrophobicContact SD-CE1 3.81Å; M107-F169 HydrophobicContact SD-CG 4.04Å; M107-F169 HydrophobicContact SD-CZ 4.32Å; M107-A180 HydrophobicContact CE-CB 3.63Å; M107-L184 HydrophobicContact CE-CD1 4.12Å; M107-L184 HydrophobicContact SD-CD1 4.01Å
108	V	94.8	Very high	81.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.5	178.8	-169.7	0	0	0	0	109	M80 I90 L92 A93 I110 L124 M126	M80-V108 HydrophobicContact CE-CG2 4.33Å; M80-V108 HydrophobicContact SD-CG2 4.01Å; I90-V108 HydrophobicContact CB-CG1 4.44Å; I90-V108 HydrophobicContact CD1-CG1 4Å; I90-V108 HydrophobicContact CG1-CG1 3.94Å; I90-V108 HydrophobicContact CG2-CG1 3.83Å; L92-V108 CarbonylContact O-C 3.58Å; L92-V108 WeakPolarHBondContact O-CA 3.36Å; A93-V108 HydrophobicContact CB-CG1 4.35Å; A93-V108 HydrophobicContact CB-CG2 4.15Å; V108-I110 HydrophobicContact CG1-CG2 3.76Å; V108-L124 PolarHBondContact N-O 3.24Å; V108-L124 PolarHBondContact O-N 3.03Å; V108-M126 HydrophobicContact CB-CE 4.47Å; V108-M126 HydrophobicContact CB-SD 4.44Å; V108-M126 HydrophobicContact CG2-CB 4.33Å; V108-M126 HydrophobicContact CG2-CE 4.48Å; V108-M126 HydrophobicContact CG2-CG 4.09Å; V108-M126 HydrophobicContact CG2-SD 3.83Å
109	V	94.8	Very high	82.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.5	169.8	-168.8	0	0	0	0	107.4	K91 L92 M107 V123 V183 L184	K91-V109 HydrophobicContact CB-CB 4.47Å; K91-V109 PolarHBondContact N-O 3.16Å; L92-V109 HydrophobicContact CB-CB 4.32Å; L92-V109 HydrophobicContact CB-CG2 4.36Å; L92-V109 HydrophobicContact CD2-CG2 4.4Å; L92-V109 PolarHBondContact N-O 3.31Å; L92-V109 PolarHBondContact O-N 3.17Å; M107-V109 HydrophobicContact CE-CG2 3.9Å; V109-V123 HydrophobicContact CG2-CG2 4.41Å; V109-V183 HydrophobicContact CB-CG1 4.14Å; V109-V183 HydrophobicContact CG1-CG1 4.02Å; V109-V183 HydrophobicContact CG2-CG1 4.23Å; V109-L184 HydrophobicContact CG2-CD2 3.77Å; V109-L184 HydrophobicContact CG2-CG 4.29Å
110	I	94.3	Very high	83.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153.9	176	64	167.2	0	0	0	110.6	L84 R89 I90 V108 N121 I122 L124 W205 Y209	L84-I110 HydrophobicContact CD1-CG2 4.1Å; L84-I110 HydrophobicContact CD2-CD1 3.91Å; L84-I110 HydrophobicContact CD2-CG2 3.97Å; R89-I110 CarbonylContact O-C 3.5Å; R89-I110 VanDerWaalsContact O-CA 3.25Å; R89-I110 WeakPolarHBondContact O-CA 3.36Å; R89-I110 WeakPolarHBondContact O-CB 3.27Å; I90-I110 HydrophobicContact CG1-CG2 4.2Å; V108-I110 HydrophobicContact CG1-CG2 3.76Å; I110-N121 WeakPolarHBondContact O-CA 3.37Å; I110-I122 HydrophobicContact CD1-CD1 4.18Å; I110-I122 HydrophobicContact CD1-CG1 3.95Å; I110-I122 HydrophobicContact CG1-CD1 4.43Å; I110-I122 HydrophobicContact CG1-CG1 3.66Å; I110-I122 PolarHBondContact N-O 3.21Å; I110-I122 PolarHBondContact O-N 2.93Å; I110-L124 HydrophobicContact CD1-CD1 3.54Å; I110-L124 HydrophobicContact CD1-CG 4Å; I110-L124 HydrophobicContact CG1-CD1 4.24Å; I110-L124 HydrophobicContact CG1-CG 4.29Å; I110-W205 HydrophobicContact CD1-CH2 4.16Å; I110-W205 HydrophobicContact CD1-CZ3 3.76Å; I110-W205 HydrophobicContact CG1-CH2 4.22Å; I110-W205 HydrophobicContact CG1-CZ3 4.32Å; I110-Y209 HydrophobicContact CD1-CD2 4.32Å; I110-Y209 HydrophobicContact CD1-CE2 3.74Å
111	Y	92.6	Very high	84.7	Confident	31 Å²	31	44.5 Å²	44.5	12%	0.122	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.3	174	86.3	-74.4	0	0	0	112.1	R89 K91 E119 E120	R89-Y111 HydrophobicContact CB-CD1 3.79Å; R89-Y111 HydrophobicContact CB-CE1 3.5Å; R89-Y111 HydrophobicContact CG-CE1 4.25Å; R89-Y111 PolarHBondContact N-O 3.46Å; R89-Y111 PolarHBondContact NH1-OH 2.95Å; R89-Y111 PolarHBondContact O-N 3.31Å; K91-Y111 HydrophobicContact CD-CD1 4.17Å; K91-Y111 HydrophobicContact CD-CG 4.35Å; K91-Y111 HydrophobicContact CG-CD1 3.41Å; K91-Y111 VanDerWaalsContact CG-CD1 3.41Å; K91-Y111 HydrophobicContact CG-CE1 4.05Å; K91-Y111 HydrophobicContact CG-CG 4.04Å; Y111-E119 HydrophobicContact CD2-CG 3.64Å; Y111-E119 HydrophobicContact CE2-CG 4.29Å; Y111-E119 HydrophobicContact CG-CG 4.43Å; Y111-E120 CarbonylContact C-O 3.59Å; Y111-E120 WeakPolarHBondContact CA-O 3.41Å; Y111-E120 WeakPolarHBondContact CB-O 3.42Å
112	T	90.8	Very high	86.3	Confident	8 Å²	8	40 Å²	40	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.2	171.9	-142.4	0	0	0	0	108.6	D88 E120 W205	D88-T112 WeakPolarHBondContact OD1-CB 3.35Å; D88-T112 PolarHBondContact OD1-OG1 3.15Å; T112-E120 HydrophobicContact CG2-CB 4.14Å; T112-E120 PolarHBondContact N-O 3.31Å; T112-E120 PolarHBondContact O-N 3.27Å; T112-W205 HydrophobicContact CG2-CD2 4.01Å; T112-W205 VanDerWaalsContact CG2-CE2 3.41Å; T112-W205 HydrophobicContact CG2-CG 4.29Å; T112-W205 HydrophobicContact CG2-CH2 4.43Å; T112-W205 HydrophobicContact CG2-CZ2 3.67Å
113	N	85.4	Confident	87.3	Confident	96 Å²	96	35.5 Å²	35.5	51%	0.513	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.8	169	-168.4	40.7	0	0	0	108.1	D117	N113-D117 PolarHBondContact ND2-OD1 3.41Å; N113-D117 VanDerWaalsContact OD1-C 3.29Å; N113-D117 WeakPolarHBondContact OD1-CA 3.47Å
114	G	74.8	Confident	87.9	Confident	8 Å²	8	33.2 Å²	33.2	8%	0.082	16%	0.164	C	C	.	.			trans	-68	170.5	-176.2	0	0	0	0	0	113.1	Q116 D117 T118 E120	G114-Q116 PolarHBondContact O-N 3.5Å; G114-D117 PolarHBondContact O-N 3.34Å; G114-T118 WeakPolarHBondContact CA-O 3.35Å; G114-T118 PolarHBondContact N-O 3.47Å; G114-E120 WeakPolarHBondContact CA-OE1 3.49Å
115	H	68.3	Low	88.2	Confident	185 Å²	185	33.1 Å²	33.1	86%	0.856	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	2.5	-178.9	-70.9	-60.6	0	0	0	115.5
116	Q	68.7	Low	88.4	Confident	128 Å²	128	32 Å²	32	60%	0.598	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	16.8	176.9	-58.4	-163.9	-35.6	0	0	113.1	G114 T118 I201	G114-Q116 PolarHBondContact O-N 3.5Å; Q116-T118 HydrophobicContact CB-CG2 3.94Å; Q116-T118 PolarHBondContact O-N 3.49Å; Q116-I201 HydrophobicContact CG-CD1 4.44Å
117	D	76.7	Confident	88.3	Confident	135 Å²	135	31.9 Å²	31.9	72%	0.722	16%	0.159	S	C	*	.	S	Bend	trans	55.7	27.3	-167.5	-67.5	-57.1	0	0	0	113.2	N113 G114	N113-D117 PolarHBondContact ND2-OD1 3.41Å; N113-D117 VanDerWaalsContact OD1-C 3.29Å; N113-D117 WeakPolarHBondContact OD1-CA 3.47Å; G114-D117 PolarHBondContact O-N 3.34Å
118	T	85.1	Confident	88.1	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.08	16%	0.159	C	C	.	.			trans	-99.5	132.7	176.8	52.6	0	0	0	0	110.1	G114 Q116 E120 F194 Y196	G114-T118 WeakPolarHBondContact CA-O 3.35Å; G114-T118 PolarHBondContact N-O 3.47Å; Q116-T118 HydrophobicContact CB-CG2 3.94Å; Q116-T118 PolarHBondContact O-N 3.49Å; T118-E120 PolarHBondContact O-N 3.01Å; T118-F194 HydrophobicContact CG2-CD1 3.71Å; T118-F194 HydrophobicContact CG2-CE1 3.77Å; T118-F194 HydrophobicContact CG2-CG 4.13Å; T118-F194 HydrophobicContact CG2-CZ 4.24Å; T118-Y196 WeakPolarHBondContact CB-OH 3.47Å
119	E	88.9	Confident	87.5	Confident	59 Å²	59	35.1 Å²	35.1	28%	0.276	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	117.9	-179.2	-164.6	-155.4	68.8	0	0	111.2	K91 Y111 N121 V190 Y196	K91-E119 WeakPolarHBondContact CE-OE2 3.44Å; K91-E119 IonicContact NZ-OE1 3.43Å; K91-E119 PolarHBondContact NZ-OE1 3.26Å; K91-E119 IonicContact NZ-OE2 2.78Å; K91-E119 PolarHBondContact NZ-OE2 3.11Å; Y111-E119 HydrophobicContact CD2-CG 3.64Å; Y111-E119 HydrophobicContact CE2-CG 4.29Å; Y111-E119 HydrophobicContact CG-CG 4.43Å; E119-N121 PolarHBondContact O-ND2 3.31Å; E119-N121 PolarHBondContact OE1-ND2 2.86Å; E119-N121 PolarHBondContact OE1-OD1 3.46Å; E119-V190 HydrophobicContact CB-CG1 4.29Å; E119-V190 VanDerWaalsContact O-CG1 3.24Å; E119-V190 WeakPolarHBondContact O-CG1 3.38Å; E119-Y196 PolarHBondContact O-OH 3.38Å
120	E	91.6	Very high	86.8	Confident	7 Å²	7	38.9 Å²	38.9	3%	0.033	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.1	-176.7	-80.5	-174.8	-151	0	0	110.2	Y111 T112 G114 T118 Y196 L203 W205	Y111-E120 CarbonylContact C-O 3.59Å; Y111-E120 WeakPolarHBondContact CA-O 3.41Å; Y111-E120 WeakPolarHBondContact CB-O 3.42Å; T112-E120 HydrophobicContact CG2-CB 4.14Å; T112-E120 PolarHBondContact N-O 3.31Å; T112-E120 PolarHBondContact O-N 3.27Å; G114-E120 WeakPolarHBondContact CA-OE1 3.49Å; T118-E120 PolarHBondContact O-N 3.01Å; E120-Y196 HydrophobicContact CG-CE2 4.14Å; E120-L203 HydrophobicContact CB-CD2 3.81Å; E120-L203 HydrophobicContact CG-CD2 4.08Å; E120-L203 WeakPolarHBondContact OE2-CA 3.32Å; E120-L203 PolarHBondContact OE2-N 3.1Å; E120-W205 HydrophobicContact CB-CZ2 4.12Å; E120-W205 VanDerWaalsContact OE2-CD1 3.3Å; E120-W205 PolarHBondContact OE2-NE1 3.09Å
121	N	93.5	Very high	85.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.1	-168.6	-64.8	-101.2	0	0	0	111.1	K91 I110 E119 L144 A187	K91-N121 WeakPolarHBondContact CD-OD1 3.18Å; K91-N121 VanDerWaalsContact CE-OD1 3.25Å; K91-N121 WeakPolarHBondContact CE-OD1 3.49Å; K91-N121 PolarHBondContact NZ-OD1 2.94Å; I110-N121 WeakPolarHBondContact O-CA 3.37Å; E119-N121 PolarHBondContact O-ND2 3.31Å; E119-N121 PolarHBondContact OE1-ND2 2.86Å; E119-N121 PolarHBondContact OE1-OD1 3.46Å; N121-L144 HydrophobicContact CB-CD1 4.41Å; N121-A187 HydrophobicContact CB-CB 3.75Å
122	I	94.4	Very high	85	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162	168.2	75.6	179.4	0	0	0	111.1	I110 L124 V141 L203 W205 M206 Y209	I110-I122 HydrophobicContact CD1-CD1 4.18Å; I110-I122 HydrophobicContact CD1-CG1 3.95Å; I110-I122 HydrophobicContact CG1-CD1 4.43Å; I110-I122 HydrophobicContact CG1-CG1 3.66Å; I110-I122 PolarHBondContact N-O 3.21Å; I110-I122 PolarHBondContact O-N 2.93Å; I122-L124 HydrophobicContact CD1-CD2 4.02Å; I122-L124 HydrophobicContact CG1-CD2 4.44Å; I122-V141 HydrophobicContact CD1-CG1 4.06Å; I122-L203 HydrophobicContact CG2-CD1 4.18Å; I122-L203 HydrophobicContact CG2-CD2 3.99Å; I122-L203 HydrophobicContact CG2-CG 4.47Å; I122-W205 HydrophobicContact CB-CH2 4.32Å; I122-W205 HydrophobicContact CD1-CE3 4.18Å; I122-W205 HydrophobicContact CD1-CH2 3.83Å; I122-W205 HydrophobicContact CD1-CZ3 3.49Å; I122-W205 VanDerWaalsContact CD1-CZ3 3.49Å; I122-W205 HydrophobicContact CG1-CH2 3.65Å; I122-W205 HydrophobicContact CG1-CZ3 3.83Å; I122-W205 HydrophobicContact CG2-CH2 3.99Å; I122-W205 HydrophobicContact CG2-CZ2 4.07Å; I122-M206 HydrophobicContact CD1-CB 4.23Å; I122-Y209 HydrophobicContact CD1-CD2 3.97Å
123	V	95.4	Very high	84.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130	174.1	-173.1	0	0	0	0	109.4	M107 V109 L142 L144 F169 L184	M107-V123 HydrophobicContact CG-CG1 3.35Å; M107-V123 HydrophobicContact SD-CG1 4Å; V109-V123 HydrophobicContact CG2-CG2 4.41Å; V123-L142 HydrophobicContact CB-CB 4.22Å; V123-L142 PolarHBondContact N-O 3.14Å; V123-L142 PolarHBondContact O-N 2.79Å; V123-L144 HydrophobicContact CG2-CD1 3.95Å; V123-L144 HydrophobicContact CG2-CD2 4.01Å; V123-L144 HydrophobicContact CG2-CG 4.08Å; V123-F169 HydrophobicContact CG1-CE1 4.23Å; V123-F169 HydrophobicContact CG1-CZ 4.17Å; V123-L184 HydrophobicContact CG2-CD2 3.52Å
124	L	94.3	Very high	84	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.4	172.2	-63.1	-177.3	0	0	0	110.3	L84 V108 I110 I122 M126 I138 V141 Y209	L84-L124 HydrophobicContact CD2-CD1 3.82Å; V108-L124 PolarHBondContact N-O 3.24Å; V108-L124 PolarHBondContact O-N 3.03Å; I110-L124 HydrophobicContact CD1-CD1 3.54Å; I110-L124 HydrophobicContact CD1-CG 4Å; I110-L124 HydrophobicContact CG1-CD1 4.24Å; I110-L124 HydrophobicContact CG1-CG 4.29Å; I122-L124 HydrophobicContact CD1-CD2 4.02Å; I122-L124 HydrophobicContact CG1-CD2 4.44Å; L124-M126 HydrophobicContact CB-CE 4.18Å; L124-M126 HydrophobicContact CB-CG 4.37Å; L124-M126 HydrophobicContact CD1-CE 3.54Å; L124-I138 HydrophobicContact CD1-CD1 4.47Å; L124-V141 HydrophobicContact CD2-CB 4.24Å; L124-V141 HydrophobicContact CD2-CG1 4.01Å; L124-V141 HydrophobicContact CD2-CG2 3.83Å; L124-Y209 HydrophobicContact CD1-CD1 3.96Å; L124-Y209 HydrophobicContact CD1-CE1 4.08Å; L124-Y209 HydrophobicContact CD1-CG 4.26Å; L124-Y209 HydrophobicContact CD2-CD1 4.45Å; L124-Y209 HydrophobicContact CD2-CG 4.09Å
125	G	92.4	Very high	84.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.2	162.6	0	0	0	0	0	109.3	G139 M140 W223	G125-G139 PolarHBondContact O-N 3.38Å; G125-M140 PolarHBondContact N-O 3.08Å; G125-M140 PolarHBondContact O-N 3.04Å; G125-W223 VanDerWaalsContact CA-CH2 3.45Å
126	M	92.6	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.4	179.9	-68.5	-168.9	-177.1	0	0	110.9	M80 L84 R105 Y106 V108 L124 S137	M80-M126 HydrophobicContact CB-SD 3.89Å; M80-M126 HydrophobicContact CG-SD 3.61Å; M80-M126 HydrophobicContact SD-SD 4.26Å; L84-M126 HydrophobicContact CD2-CE 3.73Å; L84-M126 HydrophobicContact CG-CE 4.3Å; R105-M126 CarbonylContact C-O 3.52Å; R105-M126 WeakPolarHBondContact CA-O 3.33Å; Y106-M126 PolarHBondContact N-O 3.09Å; Y106-M126 PolarHBondContact O-N 3.19Å; V108-M126 HydrophobicContact CB-CE 4.47Å; V108-M126 HydrophobicContact CB-SD 4.44Å; V108-M126 HydrophobicContact CG2-CB 4.33Å; V108-M126 HydrophobicContact CG2-CE 4.48Å; V108-M126 HydrophobicContact CG2-CG 4.09Å; V108-M126 HydrophobicContact CG2-SD 3.83Å; L124-M126 HydrophobicContact CB-CE 4.18Å; L124-M126 HydrophobicContact CB-CG 4.37Å; L124-M126 HydrophobicContact CD1-CE 3.54Å; M126-S137 WeakPolarHBondContact CA-O 3.35Å
127	D	91.3	Very high	86.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141	-173	-58.6	-60	0	0	0	112.1	R105 C136 S137 G139 S215 F219 W223	R105-D127 WeakPolarHBondContact CG-OD1 3.47Å; D127-C136 CarbonylContact O-C 3.55Å; D127-C136 WeakPolarHBondContact O-CA 3.4Å; D127-S137 PolarHBondContact N-O 2.96Å; D127-S137 PolarHBondContact O-N 3.49Å; D127-G139 VanDerWaalsContact OD2-CA 3.32Å; D127-G139 WeakPolarHBondContact OD2-CA 3.44Å; D127-G139 PolarHBondContact OD2-N 2.81Å; D127-S215 WeakPolarHBondContact CB-OG 3.06Å; D127-S215 VanDerWaalsContact OD2-CB 3.23Å; D127-S215 WeakPolarHBondContact OD2-CB 3.23Å; D127-S215 PolarHBondContact OD2-OG 2.6Å; D127-F219 HydrophobicContact CB-CB 4.48Å; D127-F219 HydrophobicContact CB-CD1 3.65Å; D127-F219 HydrophobicContact CB-CD2 4.43Å; D127-F219 HydrophobicContact CB-CE1 3.81Å; D127-F219 HydrophobicContact CB-CG 3.98Å; D127-F219 HydrophobicContact CB-CZ 4.3Å; D127-F219 VanDerWaalsContact CG-CD1 3.41Å; D127-F219 VanDerWaalsContact OD1-CD1 3.23Å; D127-F219 WeakPolarHBondContact OD1-CD1 3.47Å; D127-W223 VanDerWaalsContact CG-NE1 3.28Å; D127-W223 PolarHBondContact OD1-NE1 2.84Å; D127-W223 PolarHBondContact OD2-NE1 3.38Å
128	F	89.2	Confident	87	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.4	170.3	-66	-107.4	0	0	0	108.4	H76 V79 M80 V104 Y106 D130 N135 C136	H76-F128 HydrophobicContact CB-CE1 3.83Å; H76-F128 HydrophobicContact CB-CE2 4.13Å; H76-F128 HydrophobicContact CB-CZ 3.58Å; H76-F128 AromaticContact CD2-CD1 3.32Å; H76-F128 WeakPolarHBondContact CD2-CD1 3.42Å; H76-F128 AromaticContact CD2-CE1 3.21Å; H76-F128 WeakPolarHBondContact CD2-CE1 3.39Å; H76-F128 AromaticContact CD2-CZ 3.89Å; H76-F128 AromaticContact CG-CD1 3.94Å; H76-F128 AromaticContact CG-CE1 3.65Å; H76-F128 AromaticContact CG-CZ 3.83Å; H76-F128 AromaticContact NE2-CD1 3.59Å; H76-F128 AromaticContact NE2-CE1 3.99Å; V79-F128 HydrophobicContact CB-CE1 4.01Å; V79-F128 HydrophobicContact CB-CZ 4.29Å; V79-F128 HydrophobicContact CG1-CE1 4.23Å; V79-F128 HydrophobicContact CG2-CE1 4.35Å; M80-F128 HydrophobicContact CE-CE2 3.7Å; M80-F128 HydrophobicContact CE-CZ 4.08Å; M80-F128 HydrophobicContact CG-CE2 4.43Å; M80-F128 HydrophobicContact CG-CZ 4.17Å; V104-F128 HydrophobicContact CB-CB 4.24Å; V104-F128 PolarHBondContact N-O 2.86Å; V104-F128 VanDerWaalsContact N-O 3.11Å; V104-F128 PolarHBondContact O-N 2.63Å; Y106-F128 AromaticContact CD2-CD2 3.72Å; Y106-F128 HydrophobicContact CD2-CD2 3.72Å; Y106-F128 AromaticContact CD2-CE2 3.63Å; Y106-F128 HydrophobicContact CD2-CE2 3.63Å; Y106-F128 AromaticContact CE2-CD2 3.81Å; Y106-F128 HydrophobicContact CE2-CD2 3.81Å; Y106-F128 AromaticContact CE2-CE2 3.81Å; Y106-F128 HydrophobicContact CE2-CE2 3.81Å; F128-D130 VanDerWaalsContact C-N 3.25Å; F128-D130 PolarHBondContact O-N 3.5Å; F128-N135 WeakPolarHBondContact CD1-O 3.45Å; F128-C136 HydrophobicContact CD1-CB 4.16Å; F128-C136 HydrophobicContact CD2-CB 4.44Å; F128-C136 HydrophobicContact CE1-CB 3.64Å; F128-C136 HydrophobicContact CE2-CB 3.94Å; F128-C136 WeakPolarHBondContact CE2-SG 3.48Å; F128-C136 HydrophobicContact CZ-CB 3.52Å; F128-C136 VanDerWaalsContact CZ-SG 3.58Å
129	P	83	Confident	87.1	Confident	67 Å²	67	35.9 Å²	35.9	44%	0.435	19%	0.188	S	C	.	.	S	Bend	trans	-69.8	-21.2	-178.3	28.5	-35.9	0	0	0	113.8	S133 N135	P129-S133 WeakPolarHBondContact CD-OG 3.33Å; P129-N135 WeakPolarHBondContact CD-O 3.5Å
130	D	79.6	Confident	87.3	Confident	79 Å²	79	33.4 Å²	33.4	42%	0.422	18%	0.176	S	C	.	.	S	Bend	trans	-152.1	158.8	-177.7	-162.7	-14	0	0	0	109.4	E102 F128 D132 S133	E102-D130 WeakPolarHBondContact O-CA 3.32Å; F128-D130 VanDerWaalsContact C-N 3.25Å; F128-D130 PolarHBondContact O-N 3.5Å; D130-D132 VanDerWaalsContact C-N 3.33Å; D130-D132 PolarHBondContact O-N 2.81Å; D130-S133 WeakPolarHBondContact O-CB 3.26Å; D130-S133 PolarHBondContact O-N 3.2Å; D130-S133 VanDerWaalsContact O-N 3.17Å
131	K	75	Confident	87.3	Confident	59 Å²	59	33.6 Å²	33.6	26%	0.257	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.6	-177.4	-63.1	152.5	-172.1	148.7	0	113.9	H76 S101 E102 V104	H76-K131 PolarHBondContact CE1-O 3.21Å; H76-K131 PolarHBondContact NE2-O 3.28Å; H76-K131 VanDerWaalsContact NE2-O 3.07Å; S101-K131 WeakPolarHBondContact O-CE 3.33Å; S101-K131 PolarHBondContact O-NZ 3.07Å; E102-K131 IonicContact OE1-NZ 2.68Å; E102-K131 PolarHBondContact OE1-NZ 2.69Å; E102-K131 IonicContact OE2-NZ 3.28Å; E102-K131 PolarHBondContact OE2-NZ 3.46Å; V104-K131 HydrophobicContact CG2-CB 4.32Å; V104-K131 HydrophobicContact CG2-CG 3.69Å
132	D	74.6	Confident	87.2	Confident	141 Å²	141	33.8 Å²	33.8	75%	0.754	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.1	175	-79.3	-60.1	0	0	0	112.5	D130 K134	D130-D132 VanDerWaalsContact C-N 3.33Å; D130-D132 PolarHBondContact O-N 2.81Å; D132-K134 PolarHBondContact O-N 2.87Å
133	S	74.6	Confident	87.1	Confident	17 Å²	17	34.5 Å²	34.5	12%	0.119	18%	0.184	C	C	.	.			trans	-67.2	128	-172.5	-177.9	0	0	0	0	112.9	P129 D130 N135	P129-S133 WeakPolarHBondContact CD-OG 3.33Å; D130-S133 WeakPolarHBondContact O-CB 3.26Å; D130-S133 PolarHBondContact O-N 3.2Å; D130-S133 VanDerWaalsContact O-N 3.17Å; S133-N135 VanDerWaalsContact C-N 3.26Å; S133-N135 PolarHBondContact OG-N 2.92Å; S133-N135 PolarHBondContact OG-O 3.01Å
134	K	79.2	Confident	87	Confident	158 Å²	158	34.5 Å²	34.5	69%	0.687	18%	0.184	S	C	*	.	S	Bend	trans	-86.2	-0.3	168.8	-64.5	175	-174.8	171.3	0	112.8	V79 D132	V79-K134 WeakPolarHBondContact CG1-O 3.37Å; D132-K134 PolarHBondContact O-N 2.87Å
135	N	81.4	Confident	86.9	Confident	121 Å²	121	35.4 Å²	35.4	65%	0.647	19%	0.187	S	C	*	.			trans	-109.7	129.1	178.1	-66.7	40.6	0	0	0	108.9	F128 P129 S133	F128-N135 WeakPolarHBondContact CD1-O 3.45Å; P129-N135 WeakPolarHBondContact CD-O 3.5Å; S133-N135 VanDerWaalsContact C-N 3.26Å; S133-N135 PolarHBondContact OG-N 2.92Å; S133-N135 PolarHBondContact OG-O 3.01Å
136	C	89.4	Confident	86.8	Confident	20 Å²	20	37.2 Å²	37.2	14%	0.135	20%	0.2	C	C	.	.			trans	-123.6	150.1	173.3	178.9	0	0	0	0	107.9	V79 I83 D127 F128	V79-C136 HydrophobicContact CB-CB 4.4Å; V79-C136 HydrophobicContact CG1-CB 3.55Å; I83-C136 HydrophobicContact CD1-CB 3.6Å; I83-C136 VanDerWaalsContact CD1-O 3.27Å; I83-C136 WeakPolarHBondContact CD1-O 3.17Å; D127-C136 CarbonylContact O-C 3.55Å; D127-C136 WeakPolarHBondContact O-CA 3.4Å; F128-C136 HydrophobicContact CD1-CB 4.16Å; F128-C136 HydrophobicContact CD2-CB 4.44Å; F128-C136 HydrophobicContact CE1-CB 3.64Å; F128-C136 HydrophobicContact CE2-CB 3.94Å; F128-C136 WeakPolarHBondContact CE2-SG 3.48Å; F128-C136 HydrophobicContact CZ-CB 3.52Å; F128-C136 VanDerWaalsContact CZ-SG 3.58Å
137	S	89.9	Confident	86.6	Confident	23 Å²	23	41 Å²	41	16%	0.161	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.9	173.4	53.1	0	0	0	0	111.1	M126 D127 S215	M126-S137 WeakPolarHBondContact CA-O 3.35Å; D127-S137 PolarHBondContact N-O 2.96Å; D127-S137 PolarHBondContact O-N 3.49Å; S137-S215 WeakPolarHBondContact CB-OG 3.39Å; S137-S215 VanDerWaalsContact OG-CA 3.31Å; S137-S215 WeakPolarHBondContact OG-CA 3.5Å; S137-S215 WeakPolarHBondContact OG-CB 3.47Å; S137-S215 PolarHBondContact OG-OG 3.18Å
138	I	91.7	Very high	86.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.9	175.1	-59	180	0	0	0	108.2	I83 L124 V141 Y209 C212 I213 T214 S215	I83-I138 HydrophobicContact CG2-CD1 3.84Å; I83-I138 HydrophobicContact CG2-CG1 4.1Å; L124-I138 HydrophobicContact CD1-CD1 4.47Å; I138-V141 HydrophobicContact CG2-CG2 4.14Å; I138-Y209 HydrophobicContact CD1-CD1 3.61Å; I138-Y209 HydrophobicContact CD1-CE1 4.31Å; I138-C212 HydrophobicContact CD1-CB 4.32Å; I138-I213 HydrophobicContact CG2-CG1 4.29Å; I138-I213 CarbonylContact O-C 3.59Å; I138-I213 WeakPolarHBondContact O-CA 3.15Å; I138-T214 PolarHBondContact O-N 2.99Å; I138-S215 PolarHBondContact O-N 3.35Å; I138-S215 VanDerWaalsContact O-N 3.08Å; I138-S215 PolarHBondContact O-OG 2.83Å
139	G	87.6	Confident	86.4	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-17.6	177.1	0	0	0	0	0	114.1	G125 D127 S215	G125-G139 PolarHBondContact O-N 3.38Å; D127-G139 VanDerWaalsContact OD2-CA 3.32Å; D127-G139 WeakPolarHBondContact OD2-CA 3.44Å; D127-G139 PolarHBondContact OD2-N 2.81Å; G139-S215 WeakPolarHBondContact CA-OG 3.48Å; G139-S215 PolarHBondContact N-OG 3.14Å; G139-S215 VanDerWaalsContact N-OG 3.17Å
140	M	91.7	Very high	86.7	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.9	-179	-174.1	176.9	71	0	0	112.1	G125 H167 F169 W223	G125-M140 PolarHBondContact N-O 3.08Å; G125-M140 PolarHBondContact O-N 3.04Å; M140-H167 HydrophobicContact SD-CB 4.3Å; M140-H167 PolarHBondContact SD-ND1 3.41Å; M140-F169 HydrophobicContact CE-CE1 3.53Å; M140-F169 HydrophobicContact CE-CZ 3.54Å; M140-W223 HydrophobicContact CB-CB 3.98Å; M140-W223 HydrophobicContact CB-CD2 4.03Å; M140-W223 HydrophobicContact CB-CE3 4.32Å; M140-W223 HydrophobicContact CB-CG 3.89Å; M140-W223 HydrophobicContact CE-CD2 4.28Å; M140-W223 HydrophobicContact CE-CE3 3.44Å; M140-W223 VanDerWaalsContact CE-CE3 3.44Å; M140-W223 HydrophobicContact CE-CZ3 3.69Å; M140-W223 HydrophobicContact CG-CB 4.45Å; M140-W223 HydrophobicContact SD-CB 4.07Å; M140-W223 HydrophobicContact SD-CD2 4.35Å; M140-W223 HydrophobicContact SD-CE3 3.85Å; M140-W223 HydrophobicContact SD-CG 4.49Å
141	V	92.6	Very high	86.9	Confident	12 Å²	12	46 Å²	46	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.2	167.4	-175	0	0	0	0	107.6	I122 L124 I138 M206 E210 I213	I122-V141 HydrophobicContact CD1-CG1 4.06Å; L124-V141 HydrophobicContact CD2-CB 4.24Å; L124-V141 HydrophobicContact CD2-CG1 4.01Å; L124-V141 HydrophobicContact CD2-CG2 3.83Å; I138-V141 HydrophobicContact CG2-CG2 4.14Å; V141-M206 HydrophobicContact CG1-CB 4.48Å; V141-E210 HydrophobicContact CB-CG 4.07Å; V141-E210 HydrophobicContact CG1-CG 4.12Å; V141-E210 HydrophobicContact CG2-CG 4.27Å; V141-I213 HydrophobicContact CG2-CD1 4.14Å; V141-I213 HydrophobicContact CG2-CG1 4.1Å
142	L	92.4	Very high	87.1	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	104.6	-178.1	179.3	63.1	0	0	0	109.4	V123 V160 T162 H167 F169	V123-L142 HydrophobicContact CB-CB 4.22Å; V123-L142 PolarHBondContact N-O 3.14Å; V123-L142 PolarHBondContact O-N 2.79Å; L142-V160 HydrophobicContact CD2-CB 4.24Å; L142-V160 HydrophobicContact CD2-CG1 4.28Å; L142-T162 HydrophobicContact CD1-CG2 3.65Å; L142-T162 HydrophobicContact CG-CG2 4.37Å; L142-H167 HydrophobicContact CD2-CB 4.15Å; L142-F169 HydrophobicContact CD2-CE2 4.04Å; L142-F169 HydrophobicContact CD2-CZ 3.84Å
143	P	91.4	Very high	86.7	Confident	14 Å²	14	42.1 Å²	42.1	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	153.9	174.7	30.9	-37.2	0	0	0	111.1	W145 T162 L203 M206	P143-W145 HydrophobicContact CB-CD2 4.35Å; P143-W145 HydrophobicContact CB-CZ2 3.77Å; P143-W145 HydrophobicContact CG-CZ2 3.92Å; P143-T162 WeakPolarHBondContact O-CG2 3.3Å; P143-L203 HydrophobicContact CB-CD1 3.66Å; P143-M206 HydrophobicContact CB-CE 4.04Å; P143-M206 HydrophobicContact CB-SD 3.82Å; P143-M206 HydrophobicContact CG-CE 3.75Å; P143-M206 HydrophobicContact CG-SD 4.1Å
144	L	92.8	Very high	85.7	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.			trans	-110.5	93	174.1	-61.6	178.3	0	0	0	109.6	N121 V123 V160 L184 A187 S191	N121-L144 HydrophobicContact CB-CD1 4.41Å; V123-L144 HydrophobicContact CG2-CD1 3.95Å; V123-L144 HydrophobicContact CG2-CD2 4.01Å; V123-L144 HydrophobicContact CG2-CG 4.08Å; L144-V160 HydrophobicContact CD2-CG1 4.1Å; L144-L184 HydrophobicContact CD1-CD2 4.02Å; L144-A187 HydrophobicContact CD1-CB 3.57Å; L144-S191 WeakPolarHBondContact O-CB 3.36Å; L144-S191 PolarHBondContact O-OG 2.76Å
145	W	91.9	Very high	84.7	Confident	20 Å²	20	39.4 Å²	39.4	8%	0.076	22%	0.22	C	C	.	.			trans	-81.2	173.8	177.3	-53.6	113.2	0	0	0	111.9	P143 D147 A148 T162 F197 P198 L203 M206	P143-W145 HydrophobicContact CB-CD2 4.35Å; P143-W145 HydrophobicContact CB-CZ2 3.77Å; P143-W145 HydrophobicContact CG-CZ2 3.92Å; W145-D147 PolarHBondContact O-N 3.28Å; W145-A148 WeakPolarHBondContact O-CB 3.33Å; W145-A148 PolarHBondContact O-N 3.09Å; W145-T162 VanDerWaalsContact CD1-OG1 3.3Å; W145-T162 PolarHBondContact N-OG1 2.96Å; W145-F197 VanDerWaalsContact CZ3-C 3.48Å; W145-F197 VanDerWaalsContact CZ3-O 3.28Å; W145-F197 WeakPolarHBondContact CZ3-O 3.43Å; W145-P198 HydrophobicContact CD2-CG 3.97Å; W145-P198 HydrophobicContact CG-CG 4.07Å; W145-P198 HydrophobicContact CZ2-CB 4.33Å; W145-P198 HydrophobicContact CZ2-CG 4.35Å; W145-L203 HydrophobicContact CD2-CD1 4.22Å; W145-L203 HydrophobicContact CE3-CD1 3.8Å; W145-L203 HydrophobicContact CE3-CG 4.41Å; W145-L203 HydrophobicContact CH2-CB 3.85Å; W145-L203 HydrophobicContact CH2-CD1 4Å; W145-L203 HydrophobicContact CH2-CG 4.27Å; W145-L203 HydrophobicContact CZ2-CD1 4.39Å; W145-L203 HydrophobicContact CZ3-CB 3.94Å; W145-L203 HydrophobicContact CZ3-CD1 3.69Å; W145-L203 HydrophobicContact CZ3-CG 3.91Å; W145-M206 HydrophobicContact CH2-SD 4.3Å; W145-M206 HydrophobicContact CZ2-SD 3.99Å
146	S	90.3	Very high	83.9	Confident	38 Å²	38	35.4 Å²	35.4	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	173.2	52.5	0	0	0	0	113.6	A148 S191 R192 Y196	S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 2.82Å; S146-S191 WeakPolarHBondContact CB-O 3.45Å; S146-R192 WeakPolarHBondContact O-CG 3.24Å; S146-Y196 VanDerWaalsContact CB-O 3.3Å; S146-Y196 WeakPolarHBondContact CB-O 3.48Å; S146-Y196 PolarHBondContact N-O 2.93Å; S146-Y196 PolarHBondContact OG-O 2.81Å
147	D	88.8	Confident	83.5	Confident	80 Å²	80	34.5 Å²	34.5	43%	0.428	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.1	174.4	83.7	-15.9	0	0	0	114.3	W145 N149 T162 A163	W145-D147 PolarHBondContact O-N 3.28Å; D147-N149 PolarHBondContact O-N 2.82Å; D147-N149 VanDerWaalsContact O-N 3.14Å; D147-T162 VanDerWaalsContact OD1-CA 3.31Å; D147-T162 WeakPolarHBondContact OD1-CA 3.37Å; D147-T162 WeakPolarHBondContact OD1-CB 3.44Å; D147-T162 PolarHBondContact OD1-OG1 3.47Å; D147-A163 PolarHBondContact OD1-N 2.93Å; D147-A163 VanDerWaalsContact OD1-N 3.1Å; D147-A163 WeakPolarHBondContact OD2-CA 3.4Å; D147-A163 PolarHBondContact OD2-N 3.05Å
148	A	89.9	Confident	83.4	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.194	C	C	.	.			trans	-64.6	115	-170.8	0	0	0	0	0	112.2	W145 S146 N161 C188 R192	W145-A148 WeakPolarHBondContact O-CB 3.33Å; W145-A148 PolarHBondContact O-N 3.09Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 2.82Å; A148-N161 WeakPolarHBondContact CA-O 3.37Å; A148-C188 HydrophobicContact CB-CB 4.4Å; A148-C188 VanDerWaalsContact CB-SG 3.59Å; A148-R192 PolarHBondContact O-NH1 3.08Å
149	N	86	Confident	83.2	Confident	89 Å²	89	34.3 Å²	34.3	48%	0.476	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	157.3	172.4	68.3	-1.8	0	0	0	111	D147 N161	D147-N149 PolarHBondContact O-N 2.82Å; D147-N149 VanDerWaalsContact O-N 3.14Å; N149-N161 PolarHBondContact N-O 2.84Å; N149-N161 PolarHBondContact O-N 3.21Å; N149-N161 VanDerWaalsContact OD1-CB 3.25Å; N149-N161 WeakPolarHBondContact OD1-CB 2.99Å; N149-N161 PolarHBondContact OD1-ND2 3.1Å; N149-N161 PolarHBondContact OD1-O 3.3Å
150	I	90.1	Very high	83.3	Confident	30 Å²	30	34.2 Å²	34.2	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.7	-176.8	-51.4	173.3	0	0	0	106.4	F158 S159 V160 L181 L184	I150-F158 HydrophobicContact CG2-CD2 4.09Å; I150-S159 WeakPolarHBondContact CA-O 3.5Å; I150-V160 HydrophobicContact CG1-CG2 4.42Å; I150-L181 HydrophobicContact CG2-CD2 3.67Å; I150-L184 HydrophobicContact CD1-CB 3.6Å
151	H	82.9	Confident	83.1	Confident	129 Å²	129	36.1 Å²	36.1	60%	0.597	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.9	179.5	-171.2	67.4	0	0	0	109.1	F158 S159	H151-F158 CarbonylContact O-C 3.55Å; H151-F158 WeakPolarHBondContact O-CA 3.44Å; H151-F158 WeakPolarHBondContact O-CB 3.47Å; H151-S159 PolarHBondContact N-O 2.92Å; H151-S159 PolarHBondContact O-N 3.21Å; H151-S159 PolarHBondContact O-OG 3.12Å
152	L	80.6	Confident	82.9	Confident	65 Å²	65	35.7 Å²	35.7	34%	0.34	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.7	176.6	-61.1	178.3	0	0	0	109.5	F158 L181 L299	L152-F158 HydrophobicContact CD2-CB 4.34Å; L152-L181 HydrophobicContact CD2-CD1 3.63Å; L152-L181 HydrophobicContact CD2-CD2 4.16Å; L152-L299 HydrophobicContact CD1-CD1 3.52Å
153	D	65.8	Low	82.4	Confident	54 Å²	54	38 Å²	38	29%	0.289	23%	0.227	S	C	.	.			trans	-101.7	133.6	174.7	-161.8	-11.4	0	0	0	108.5	D155 G156 G157 V168	D153-D155 PolarHBondContact O-N 3.41Å; D153-G156 PolarHBondContact O-N 3.17Å; D153-G157 PolarHBondContact N-O 2.71Å; D153-V168 VanDerWaalsContact OD2-CG1 3.24Å; D153-V168 WeakPolarHBondContact OD2-CG1 3.32Å
154	G	53.1	Low	81.6	Confident	35 Å²	35	40.6 Å²	40.6	36%	0.361	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	3.1	-163.4	0	0	0	0	0	115	K291	G154-K291 WeakPolarHBondContact O-CE 3.24Å; G154-K291 PolarHBondContact O-NZ 3.3Å
155	D	58.8	Low	81	Confident	83 Å²	83	48.1 Å²	48.1	44%	0.444	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.9	179.2	72.7	-6.2	0	0	0	115.1	D153 G157 K170	D153-D155 PolarHBondContact O-N 3.41Å; D155-G157 PolarHBondContact OD1-N 3.19Å; D155-K170 IonicContact OD1-NZ 2.67Å; D155-K170 VanDerWaalsContact OD2-CE 3.26Å; D155-K170 WeakPolarHBondContact OD2-CE 3.43Å; D155-K170 IonicContact OD2-NZ 3.87Å; D155-K170 PolarHBondContact OD2-NZ 2.74Å
156	G	64	Low	80.6	Confident	37 Å²	37	49.3 Å²	49.3	38%	0.381	30%	0.296	S	S	.	.	S	Bend	trans	113.5	1.8	-175.5	0	0	0	0	0	113.9	D153 M177	D153-G156 PolarHBondContact O-N 3.17Å; G156-M177 VanDerWaalsContact O-SD 3.36Å
157	G	81.2	Confident	80.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.01	29%	0.287	C	S	.	.			trans	-91.1	-172.3	167.9	0	0	0	0	0	115.2	D153 D155 F169	D153-G157 PolarHBondContact N-O 2.71Å; D155-G157 PolarHBondContact OD1-N 3.19Å; G157-F169 CarbonylContact C-O 3.57Å; G157-F169 WeakPolarHBondContact CA-O 3.25Å
158	F	88.1	Confident	80.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.8	162	62.6	-89.1	0	0	0	109.5	M107 I150 H151 L152 V160 F169 P171 M177 A180 L181 L184	M107-F158 HydrophobicContact CE-CZ 4.33Å; M107-F158 HydrophobicContact SD-CE2 4.36Å; M107-F158 HydrophobicContact SD-CZ 3.83Å; I150-F158 HydrophobicContact CG2-CD2 4.09Å; H151-F158 CarbonylContact O-C 3.55Å; H151-F158 WeakPolarHBondContact O-CA 3.44Å; H151-F158 WeakPolarHBondContact O-CB 3.47Å; L152-F158 HydrophobicContact CD2-CB 4.34Å; F158-V160 HydrophobicContact CD2-CG2 3.87Å; F158-V160 HydrophobicContact CE2-CG2 3.68Å; F158-F169 HydrophobicContact CD1-CB 4.38Å; F158-F169 HydrophobicContact CD2-CB 4.33Å; F158-F169 HydrophobicContact CD2-CD2 4.16Å; F158-F169 HydrophobicContact CE1-CB 3.91Å; F158-F169 HydrophobicContact CE2-CB 3.83Å; F158-F169 AromaticContact CE2-CD2 3.61Å; F158-F169 HydrophobicContact CE2-CD2 3.61Å; F158-F169 HydrophobicContact CE2-CE2 4.45Å; F158-F169 AromaticContact CE2-CG 3.92Å; F158-F169 HydrophobicContact CE2-CG 3.92Å; F158-F169 HydrophobicContact CZ-CB 3.6Å; F158-F169 HydrophobicContact CZ-CD2 4.16Å; F158-F169 AromaticContact CZ-CG 3.98Å; F158-F169 HydrophobicContact CZ-CG 3.98Å; F158-F169 PolarHBondContact N-O 2.96Å; F158-F169 PolarHBondContact O-N 2.79Å; F158-P171 HydrophobicContact CD1-CG 4.27Å; F158-P171 HydrophobicContact CE1-CG 3.73Å; F158-M177 HydrophobicContact CD1-CG 4.03Å; F158-M177 HydrophobicContact CE1-CG 4.49Å; F158-A180 HydrophobicContact CE1-CB 3.63Å; F158-A180 HydrophobicContact CZ-CB 3.65Å; F158-L181 HydrophobicContact CB-CD2 4.02Å; F158-L181 HydrophobicContact CD1-CD2 4.14Å; F158-L181 HydrophobicContact CD1-CG 4.42Å; F158-L181 HydrophobicContact CD2-CD2 4.21Å; F158-L181 HydrophobicContact CG-CD2 3.85Å; F158-L184 HydrophobicContact CD2-CD1 4.41Å; F158-L184 HydrophobicContact CE2-CD1 3.39Å; F158-L184 HydrophobicContact CZ-CD1 3.68Å
159	S	87.2	Confident	80.2	Confident	20 Å²	20	46.3 Å²	46.3	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.4	169.4	57.7	0	0	0	0	110.8	I150 H151 H167	I150-S159 WeakPolarHBondContact CA-O 3.5Å; H151-S159 PolarHBondContact N-O 2.92Å; H151-S159 PolarHBondContact O-N 3.21Å; H151-S159 PolarHBondContact O-OG 3.12Å; S159-H167 CarbonylContact C-O 3.53Å; S159-H167 VanDerWaalsContact CA-O 3.3Å; S159-H167 WeakPolarHBondContact CA-O 3.08Å
160	V	90.2	Very high	80.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.4	166.2	-176.2	0	0	0	0	107	L142 L144 I150 F158 S166 H167 F169 L184	L142-V160 HydrophobicContact CD2-CB 4.24Å; L142-V160 HydrophobicContact CD2-CG1 4.28Å; L144-V160 HydrophobicContact CD2-CG1 4.1Å; I150-V160 HydrophobicContact CG1-CG2 4.42Å; F158-V160 HydrophobicContact CD2-CG2 3.87Å; F158-V160 HydrophobicContact CE2-CG2 3.68Å; V160-S166 WeakPolarHBondContact O-CA 3.38Å; V160-H167 PolarHBondContact N-O 2.81Å; V160-H167 PolarHBondContact O-N 3.25Å; V160-F169 HydrophobicContact CB-CE2 4.06Å; V160-F169 HydrophobicContact CG2-CD2 4.03Å; V160-F169 HydrophobicContact CG2-CE2 3.78Å; V160-L184 HydrophobicContact CG2-CD1 4.11Å
161	N	88.2	Confident	80.2	Confident	46 Å²	46	43.3 Å²	43.3	25%	0.246	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	175.3	157.8	88.1	0	0	0	111.5	A148 N149 R165	A148-N161 WeakPolarHBondContact CA-O 3.37Å; N149-N161 PolarHBondContact N-O 2.84Å; N149-N161 PolarHBondContact O-N 3.21Å; N149-N161 VanDerWaalsContact OD1-CB 3.25Å; N149-N161 WeakPolarHBondContact OD1-CB 2.99Å; N149-N161 PolarHBondContact OD1-ND2 3.1Å; N149-N161 PolarHBondContact OD1-O 3.3Å; N161-R165 WeakPolarHBondContact CA-O 3.29Å; N161-R165 PolarHBondContact OD1-O 3.26Å
162	T	88.1	Confident	80.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	144.3	-176	-174.3	0	0	0	0	110	L142 P143 W145 D147 G164 R165	L142-T162 HydrophobicContact CD1-CG2 3.65Å; L142-T162 HydrophobicContact CG-CG2 4.37Å; P143-T162 WeakPolarHBondContact O-CG2 3.3Å; W145-T162 VanDerWaalsContact CD1-OG1 3.3Å; W145-T162 PolarHBondContact N-OG1 2.96Å; D147-T162 VanDerWaalsContact OD1-CA 3.31Å; D147-T162 WeakPolarHBondContact OD1-CA 3.37Å; D147-T162 WeakPolarHBondContact OD1-CB 3.44Å; D147-T162 PolarHBondContact OD1-OG1 3.47Å; T162-G164 PolarHBondContact O-N 3.34Å; T162-R165 PolarHBondContact N-O 2.99Å; T162-R165 PolarHBondContact O-N 3.47Å
163	A	81.8	Confident	80.2	Confident	52 Å²	52	38.2 Å²	38.2	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	30.1	-169.9	0	0	0	0	0	114.2	D147 R165 P198	D147-A163 PolarHBondContact OD1-N 2.93Å; D147-A163 VanDerWaalsContact OD1-N 3.1Å; D147-A163 WeakPolarHBondContact OD2-CA 3.4Å; D147-A163 PolarHBondContact OD2-N 3.05Å; A163-R165 VanDerWaalsContact C-N 3.34Å; A163-R165 PolarHBondContact O-N 2.94Å; A163-P198 HydrophobicContact CB-CG 4.19Å
164	G	74.9	Confident	80.7	Confident	69 Å²	69	38.9 Å²	38.9	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	12.8	-178.1	0	0	0	0	0	116	T162	T162-G164 PolarHBondContact O-N 3.34Å
165	R	79.7	Confident	81.7	Confident	159 Å²	159	40.2 Å²	40.2	60%	0.6	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.6	170.4	-61.2	-175.4	-175.3	174.7	3.9	109.9	N161 T162 A163	N161-R165 WeakPolarHBondContact CA-O 3.29Å; N161-R165 PolarHBondContact OD1-O 3.26Å; T162-R165 PolarHBondContact N-O 2.99Å; T162-R165 PolarHBondContact O-N 3.47Å; A163-R165 VanDerWaalsContact C-N 3.34Å; A163-R165 PolarHBondContact O-N 2.94Å
166	S	82.3	Confident	82.7	Confident	45 Å²	45	36.3 Å²	36.3	32%	0.315	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.4	173.9	-169.8	0	0	0	0	110.7	V160	V160-S166 WeakPolarHBondContact O-CA 3.38Å
167	H	86.3	Confident	83.7	Confident	15 Å²	15	35.5 Å²	35.5	7%	0.069	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	175.9	-67.3	-90.3	0	0	0	110.2	M140 L142 S159 V160 F169 W223	M140-H167 HydrophobicContact SD-CB 4.3Å; M140-H167 PolarHBondContact SD-ND1 3.41Å; L142-H167 HydrophobicContact CD2-CB 4.15Å; S159-H167 CarbonylContact C-O 3.53Å; S159-H167 VanDerWaalsContact CA-O 3.3Å; S159-H167 WeakPolarHBondContact CA-O 3.08Å; V160-H167 PolarHBondContact N-O 2.81Å; V160-H167 PolarHBondContact O-N 3.25Å; H167-F169 HydrophobicContact CB-CE2 4Å; H167-F169 HydrophobicContact CB-CZ 4.28Å; H167-W223 PolarHBondContact ND1-O 2.88Å
168	V	85.8	Confident	83.6	Confident	41 Å²	41	42.4 Å²	42.4	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.3	-178.7	-178.3	0	0	0	0	110.3	D153 K170	D153-V168 VanDerWaalsContact OD2-CG1 3.24Å; D153-V168 WeakPolarHBondContact OD2-CG1 3.32Å; V168-K170 VanDerWaalsContact CG1-CE 3.49Å; V168-K170 HydrophobicContact CG1-CG 4.22Å
169	F	89.6	Confident	83.5	Confident	1 Å²	1	43.5 Å²	43.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.4	177.4	-60.3	-89.9	0	0	0	109.2	L96 M107 V123 M140 L142 G157 F158 V160 H167 W223	L96-F169 HydrophobicContact CD1-CD1 3.99Å; L96-F169 HydrophobicContact CD2-CB 4.25Å; M107-F169 HydrophobicContact CB-CD1 3.88Å; M107-F169 HydrophobicContact CB-CE1 4.07Å; M107-F169 HydrophobicContact CG-CD1 3.69Å; M107-F169 HydrophobicContact CG-CE1 3.54Å; M107-F169 HydrophobicContact CG-CZ 4.39Å; M107-F169 HydrophobicContact SD-CD1 3.66Å; M107-F169 HydrophobicContact SD-CE1 3.81Å; M107-F169 HydrophobicContact SD-CG 4.04Å; M107-F169 HydrophobicContact SD-CZ 4.32Å; V123-F169 HydrophobicContact CG1-CE1 4.23Å; V123-F169 HydrophobicContact CG1-CZ 4.17Å; M140-F169 HydrophobicContact CE-CE1 3.53Å; M140-F169 HydrophobicContact CE-CZ 3.54Å; L142-F169 HydrophobicContact CD2-CE2 4.04Å; L142-F169 HydrophobicContact CD2-CZ 3.84Å; G157-F169 CarbonylContact C-O 3.57Å; G157-F169 WeakPolarHBondContact CA-O 3.25Å; F158-F169 HydrophobicContact CD1-CB 4.38Å; F158-F169 HydrophobicContact CD2-CB 4.33Å; F158-F169 HydrophobicContact CD2-CD2 4.16Å; F158-F169 HydrophobicContact CE1-CB 3.91Å; F158-F169 HydrophobicContact CE2-CB 3.83Å; F158-F169 AromaticContact CE2-CD2 3.61Å; F158-F169 HydrophobicContact CE2-CD2 3.61Å; F158-F169 HydrophobicContact CE2-CE2 4.45Å; F158-F169 AromaticContact CE2-CG 3.92Å; F158-F169 HydrophobicContact CE2-CG 3.92Å; F158-F169 HydrophobicContact CZ-CB 3.6Å; F158-F169 HydrophobicContact CZ-CD2 4.16Å; F158-F169 AromaticContact CZ-CG 3.98Å; F158-F169 HydrophobicContact CZ-CG 3.98Å; F158-F169 PolarHBondContact N-O 2.96Å; F158-F169 PolarHBondContact O-N 2.79Å; V160-F169 HydrophobicContact CB-CE2 4.06Å; V160-F169 HydrophobicContact CG2-CD2 4.03Å; V160-F169 HydrophobicContact CG2-CE2 3.78Å; H167-F169 HydrophobicContact CB-CE2 4Å; H167-F169 HydrophobicContact CB-CZ 4.28Å; F169-W223 HydrophobicContact CD1-CZ3 4.24Å; F169-W223 HydrophobicContact CE1-CZ3 4.01Å
170	K	87.5	Confident	83.5	Confident	48 Å²	48	42.6 Å²	42.6	21%	0.209	24%	0.237	C	C	.	.			trans	-121.5	92	178.5	-59.3	-171.9	-176.2	-177.7	0	109.5	L96 E97 D155 V168	L96-K170 CarbonylContact C-O 3.43Å; L96-K170 VanDerWaalsContact CA-O 3.25Å; L96-K170 WeakPolarHBondContact CA-O 3.43Å; E97-K170 HydrophobicContact CB-CB 4.34Å; E97-K170 PolarHBondContact N-O 3.28Å; D155-K170 IonicContact OD1-NZ 2.67Å; D155-K170 VanDerWaalsContact OD2-CE 3.26Å; D155-K170 WeakPolarHBondContact OD2-CE 3.43Å; D155-K170 IonicContact OD2-NZ 3.87Å; D155-K170 PolarHBondContact OD2-NZ 2.74Å; V168-K170 VanDerWaalsContact CG1-CE 3.49Å; V168-K170 HydrophobicContact CG1-CG 4.22Å
171	P	88.5	Confident	83.3	Confident	8 Å²	8	43.2 Å²	43.2	5%	0.052	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-70.7	144.6	-177.9	-22.7	37.3	0	0	0	112.6	V94 L96 F158 S173 A176 M177	V94-P171 HydrophobicContact CG1-CB 3.78Å; V94-P171 HydrophobicContact CG1-CG 4.17Å; L96-P171 HydrophobicContact CD2-CG 4.4Å; F158-P171 HydrophobicContact CD1-CG 4.27Å; F158-P171 HydrophobicContact CE1-CG 3.73Å; P171-S173 PolarHBondContact O-N 3.27Å; P171-A176 HydrophobicContact CB-CB 4.1Å; P171-M177 HydrophobicContact CB-CB 4.06Å; P171-M177 HydrophobicContact CG-CB 3.82Å; P171-M177 HydrophobicContact CG-CG 4.27Å
172	V	83.9	Confident	83.3	Confident	56 Å²	56	46.9 Å²	46.9	34%	0.339	26%	0.256	S	S	.	.	S	Bend	trans	-68.7	2.5	-178.1	-58.4	0	0	0	0	115.6	R95 E97	R95-V172 HydrophobicContact CB-CG1 4.26Å; R95-V172 HydrophobicContact CB-CG2 3.93Å; R95-V172 HydrophobicContact CG-CG1 3.88Å; R95-V172 HydrophobicContact CG-CG2 4.28Å; R95-V172 PolarHBondContact O-N 3.43Å; R95-V172 VanDerWaalsContact O-N 3.1Å; E97-V172 HydrophobicContact CG-CG1 4.09Å
173	S	79.8	Confident	83.4	Confident	31 Å²	31	47.7 Å²	47.7	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-162.2	153.4	174.7	69	0	0	0	0	111.8	K46 P171 Q175 A176 M177	K46-S173 PolarHBondContact O-OG 2.73Å; P171-S173 PolarHBondContact O-N 3.27Å; S173-Q175 PolarHBondContact O-N 3.32Å; S173-A176 PolarHBondContact O-N 2.75Å; S173-A176 VanDerWaalsContact O-N 3.1Å; S173-A176 VanDerWaalsContact OG-CB 3.26Å; S173-A176 WeakPolarHBondContact OG-CB 3.5Å; S173-A176 PolarHBondContact OG-N 2.92Å; S173-A176 VanDerWaalsContact OG-N 3.1Å; S173-M177 PolarHBondContact O-N 2.9Å
174	V	76.2	Confident	83.9	Confident	68 Å²	68	45.2 Å²	45.2	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-35.2	175.1	-179.5	0	0	0	0	111.4	M177 W178	V174-M177 HydrophobicContact CG1-CE 4.23Å; V174-M177 PolarHBondContact O-N 3.24Å; V174-W178 PolarHBondContact O-N 3.35Å
175	Q	73.3	Confident	84.7	Confident	63 Å²	63	46.6 Å²	46.6	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-41.5	174.7	-168.7	-178.5	31.7	0	0	111.9	V45 S173 S179	V45-Q175 HydrophobicContact CB-CG 4.5Å; V45-Q175 HydrophobicContact CG2-CG 4.25Å; S173-Q175 PolarHBondContact O-N 3.32Å; Q175-S179 WeakPolarHBondContact O-CB 3.2Å; Q175-S179 PolarHBondContact O-N 2.91Å; Q175-S179 PolarHBondContact O-OG 3.46Å
176	A	79.3	Confident	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-35.1	175.2	0	0	0	0	0	112	A48 V94 P171 S173 A180	A48-A176 HydrophobicContact CB-CB 3.88Å; V94-A176 HydrophobicContact CG1-CB 4.11Å; P171-A176 HydrophobicContact CB-CB 4.1Å; S173-A176 PolarHBondContact O-N 2.75Å; S173-A176 VanDerWaalsContact O-N 3.1Å; S173-A176 VanDerWaalsContact OG-CB 3.26Å; S173-A176 WeakPolarHBondContact OG-CB 3.5Å; S173-A176 PolarHBondContact OG-N 2.92Å; S173-A176 VanDerWaalsContact OG-N 3.1Å; A176-A180 WeakPolarHBondContact O-CB 3.36Å; A176-A180 PolarHBondContact O-N 3.23Å
177	M	85.6	Confident	85.6	Confident	21 Å²	21	42.1 Å²	42.1	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-48.4	172.1	-178.4	177	67.2	0	0	112.4	G156 F158 P171 S173 V174 S179 A180 L181	G156-M177 VanDerWaalsContact O-SD 3.36Å; F158-M177 HydrophobicContact CD1-CG 4.03Å; F158-M177 HydrophobicContact CE1-CG 4.49Å; P171-M177 HydrophobicContact CB-CB 4.06Å; P171-M177 HydrophobicContact CG-CB 3.82Å; P171-M177 HydrophobicContact CG-CG 4.27Å; S173-M177 PolarHBondContact O-N 2.9Å; V174-M177 HydrophobicContact CG1-CE 4.23Å; V174-M177 PolarHBondContact O-N 3.24Å; M177-S179 VanDerWaalsContact C-N 3.31Å; M177-S179 PolarHBondContact O-N 3.26Å; M177-A180 WeakPolarHBondContact O-CB 3.15Å; M177-A180 PolarHBondContact O-N 2.82Å; M177-A180 VanDerWaalsContact O-N 3.15Å; M177-L181 HydrophobicContact CG-CD1 3.9Å; M177-L181 HydrophobicContact CG-CG 4.37Å; M177-L181 VanDerWaalsContact O-CG 3.32Å; M177-L181 WeakPolarHBondContact O-CG 3.24Å; M177-L181 PolarHBondContact O-N 3.26Å
178	W	80.1	Confident	85.9	Confident	146 Å²	146	41.5 Å²	41.5	55%	0.553	21%	0.205	S	C	*	.	H	α-helix	trans	-60.3	-42.8	176.4	-174.3	-107.7	0	0	0	111.8	V174 A180 L181 Q182	V174-W178 PolarHBondContact O-N 3.35Å; W178-A180 VanDerWaalsContact C-N 3.32Å; W178-A180 PolarHBondContact O-N 3.28Å; W178-L181 PolarHBondContact O-N 2.8Å; W178-Q182 WeakPolarHBondContact O-CB 3.27Å; W178-Q182 PolarHBondContact O-N 2.78Å
179	S	84.7	Confident	86.1	Confident	23 Å²	23	43.1 Å²	43.1	16%	0.161	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-41.9	174.3	-52.8	0	0	0	0	112.1	L92 Q175 M177 V183	L92-S179 WeakPolarHBondContact CD2-O 3.49Å; Q175-S179 WeakPolarHBondContact O-CB 3.2Å; Q175-S179 PolarHBondContact O-N 2.91Å; Q175-S179 PolarHBondContact O-OG 3.46Å; M177-S179 VanDerWaalsContact C-N 3.31Å; M177-S179 PolarHBondContact O-N 3.26Å; S179-V183 WeakPolarHBondContact O-CG2 3.48Å; S179-V183 PolarHBondContact O-N 3.44Å
180	A	88.2	Confident	86.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-53.3	174	0	0	0	0	0	111.9	L92 V94 M107 F158 A176 M177 W178 Q182 V183 L184	L92-A180 VanDerWaalsContact CD2-CA 3.47Å; L92-A180 HydrophobicContact CD2-CB 4.27Å; V94-A180 HydrophobicContact CG2-CB 4.27Å; M107-A180 HydrophobicContact CE-CB 3.63Å; F158-A180 HydrophobicContact CE1-CB 3.63Å; F158-A180 HydrophobicContact CZ-CB 3.65Å; A176-A180 WeakPolarHBondContact O-CB 3.36Å; A176-A180 PolarHBondContact O-N 3.23Å; M177-A180 WeakPolarHBondContact O-CB 3.15Å; M177-A180 PolarHBondContact O-N 2.82Å; M177-A180 VanDerWaalsContact O-N 3.15Å; W178-A180 VanDerWaalsContact C-N 3.32Å; W178-A180 PolarHBondContact O-N 3.28Å; A180-Q182 PolarHBondContact O-N 3.21Å; A180-V183 PolarHBondContact O-N 2.77Å; A180-L184 HydrophobicContact CB-CD1 4.49Å; A180-L184 VanDerWaalsContact O-CB 3.3Å; A180-L184 WeakPolarHBondContact O-CB 3.32Å; A180-L184 WeakPolarHBondContact O-CG 3.29Å; A180-L184 PolarHBondContact O-N 2.88Å
181	L	86.5	Confident	86.3	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-46.6	-177.7	-67.9	168.8	0	0	0	111.4	I150 L152 F158 M177 W178 V183 L184 H185	I150-L181 HydrophobicContact CG2-CD2 3.67Å; L152-L181 HydrophobicContact CD2-CD1 3.63Å; L152-L181 HydrophobicContact CD2-CD2 4.16Å; F158-L181 HydrophobicContact CB-CD2 4.02Å; F158-L181 HydrophobicContact CD1-CD2 4.14Å; F158-L181 HydrophobicContact CD1-CG 4.42Å; F158-L181 HydrophobicContact CD2-CD2 4.21Å; F158-L181 HydrophobicContact CG-CD2 3.85Å; M177-L181 HydrophobicContact CG-CD1 3.9Å; M177-L181 HydrophobicContact CG-CG 4.37Å; M177-L181 VanDerWaalsContact O-CG 3.32Å; M177-L181 WeakPolarHBondContact O-CG 3.24Å; M177-L181 PolarHBondContact O-N 3.26Å; W178-L181 PolarHBondContact O-N 2.8Å; L181-V183 PolarHBondContact O-N 3.41Å; L181-L184 PolarHBondContact O-N 3.49Å; L181-H185 VanDerWaalsContact O-CB 3.3Å; L181-H185 WeakPolarHBondContact O-CB 3.28Å; L181-H185 PolarHBondContact O-CD2 2.97Å; L181-H185 PolarHBondContact O-N 3.37Å
182	Q	86.6	Confident	86.4	Confident	123 Å²	123	46.3 Å²	46.3	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-59.3	-46.5	179.9	-172.1	178.4	6.8	0	0	112.3	W178 A180 K186	W178-Q182 WeakPolarHBondContact O-CB 3.27Å; W178-Q182 PolarHBondContact O-N 2.78Å; A180-Q182 PolarHBondContact O-N 3.21Å; Q182-K186 PolarHBondContact O-N 3.04Å
183	V	90.6	Very high	86.7	Confident	20 Å²	20	52.3 Å²	52.3	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-40.9	-180	175.6	0	0	0	0	111.5	L50 K91 L92 V109 S179 A180 L181 K186 A187	L50-V183 HydrophobicContact CD1-CG2 3.67Å; K91-V183 HydrophobicContact CB-CG1 4.05Å; K91-V183 HydrophobicContact CD-CG1 4.2Å; L92-V183 HydrophobicContact CB-CB 4.45Å; L92-V183 HydrophobicContact CB-CG1 4.18Å; L92-V183 HydrophobicContact CB-CG2 4.24Å; L92-V183 HydrophobicContact CD2-CB 4.1Å; L92-V183 HydrophobicContact CD2-CG2 4.15Å; V109-V183 HydrophobicContact CB-CG1 4.14Å; V109-V183 HydrophobicContact CG1-CG1 4.02Å; V109-V183 HydrophobicContact CG2-CG1 4.23Å; S179-V183 WeakPolarHBondContact O-CG2 3.48Å; S179-V183 PolarHBondContact O-N 3.44Å; A180-V183 PolarHBondContact O-N 2.77Å; L181-V183 PolarHBondContact O-N 3.41Å; V183-K186 PolarHBondContact O-N 3.33Å; V183-A187 WeakPolarHBondContact O-CB 3.21Å; V183-A187 PolarHBondContact O-N 3.2Å
184	L	92.4	Very high	87.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-43.4	178.6	-69.7	171.4	0	0	0	112.2	M107 V109 V123 L144 I150 F158 V160 A180 L181 K186 A187 C188	M107-L184 HydrophobicContact CE-CD1 4.12Å; M107-L184 HydrophobicContact SD-CD1 4.01Å; V109-L184 HydrophobicContact CG2-CD2 3.77Å; V109-L184 HydrophobicContact CG2-CG 4.29Å; V123-L184 HydrophobicContact CG2-CD2 3.52Å; L144-L184 HydrophobicContact CD1-CD2 4.02Å; I150-L184 HydrophobicContact CD1-CB 3.6Å; F158-L184 HydrophobicContact CD2-CD1 4.41Å; F158-L184 HydrophobicContact CE2-CD1 3.39Å; F158-L184 HydrophobicContact CZ-CD1 3.68Å; V160-L184 HydrophobicContact CG2-CD1 4.11Å; A180-L184 HydrophobicContact CB-CD1 4.49Å; A180-L184 VanDerWaalsContact O-CB 3.3Å; A180-L184 WeakPolarHBondContact O-CB 3.32Å; A180-L184 WeakPolarHBondContact O-CG 3.29Å; A180-L184 PolarHBondContact O-N 2.88Å; L181-L184 PolarHBondContact O-N 3.49Å; L184-K186 PolarHBondContact O-N 3.28Å; L184-A187 PolarHBondContact O-N 2.74Å; L184-C188 WeakPolarHBondContact O-CB 3.36Å; L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 3.46Å
185	H	91.3	Very high	87.6	Confident	97 Å²	97	57.6 Å²	57.6	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-39.4	173.8	-85.3	-73.6	0	0	0	111.3	L181 E189	L181-H185 VanDerWaalsContact O-CB 3.3Å; L181-H185 WeakPolarHBondContact O-CB 3.28Å; L181-H185 PolarHBondContact O-CD2 2.97Å; L181-H185 PolarHBondContact O-N 3.37Å; H185-E189 WeakPolarHBondContact O-CB 3.31Å; H185-E189 PolarHBondContact O-N 3.37Å
186	K	90.7	Very high	88.4	Confident	111 Å²	111	55 Å²	55	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-43.5	176.2	-167.8	57.7	174.1	-177.5	0	112.6	Q182 V183 L184 C188 E189 V190	Q182-K186 PolarHBondContact O-N 3.04Å; V183-K186 PolarHBondContact O-N 3.33Å; L184-K186 PolarHBondContact O-N 3.28Å; K186-C188 PolarHBondContact O-N 3.45Å; K186-E189 WeakPolarHBondContact CD-OE2 3.44Å; K186-E189 WeakPolarHBondContact CE-OE2 3.47Å; K186-E189 IonicContact NZ-OE1 3.36Å; K186-E189 IonicContact NZ-OE2 3.92Å; K186-E189 PolarHBondContact NZ-OE2 3.08Å; K186-E189 WeakPolarHBondContact O-CB 3.4Å; K186-E189 PolarHBondContact O-N 3.38Å; K186-V190 WeakPolarHBondContact O-CG2 3.44Å; K186-V190 PolarHBondContact O-N 3.04Å
187	A	91.7	Very high	88.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-44	174.9	0	0	0	0	0	111.9	N121 L144 V183 L184 E189 V190 S191	N121-A187 HydrophobicContact CB-CB 3.75Å; L144-A187 HydrophobicContact CD1-CB 3.57Å; V183-A187 WeakPolarHBondContact O-CB 3.21Å; V183-A187 PolarHBondContact O-N 3.2Å; L184-A187 PolarHBondContact O-N 2.74Å; A187-E189 VanDerWaalsContact C-N 3.34Å; A187-E189 PolarHBondContact O-N 3.04Å; A187-V190 WeakPolarHBondContact O-CB 3.49Å; A187-V190 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-N 2.85Å; A187-S191 PolarHBondContact O-OG 3.21Å; A187-S191 VanDerWaalsContact O-OG 3.06Å
188	C	91.5	Very high	88.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-28.5	176.1	-61.8	0	0	0	0	113	A148 L184 K186 R192	A148-C188 HydrophobicContact CB-CB 4.4Å; A148-C188 VanDerWaalsContact CB-SG 3.59Å; L184-C188 WeakPolarHBondContact O-CB 3.36Å; L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 3.46Å; K186-C188 PolarHBondContact O-N 3.45Å; C188-R192 WeakPolarHBondContact O-CB 3.47Å; C188-R192 WeakPolarHBondContact O-CG 3.16Å; C188-R192 PolarHBondContact O-N 3.01Å; C188-R192 PolarHBondContact O-NE 3.31Å; C188-R192 PolarHBondContact O-NH2 3.13Å
189	E	90.6	Very high	88.7	Confident	75 Å²	75	60.1 Å²	60.1	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-46.7	169.7	-168.9	-150.6	147.3	0	0	111.1	H185 K186 A187 R192 R193	H185-E189 WeakPolarHBondContact O-CB 3.31Å; H185-E189 PolarHBondContact O-N 3.37Å; K186-E189 WeakPolarHBondContact CD-OE2 3.44Å; K186-E189 WeakPolarHBondContact CE-OE2 3.47Å; K186-E189 IonicContact NZ-OE1 3.36Å; K186-E189 IonicContact NZ-OE2 3.92Å; K186-E189 PolarHBondContact NZ-OE2 3.08Å; K186-E189 WeakPolarHBondContact O-CB 3.4Å; K186-E189 PolarHBondContact O-N 3.38Å; A187-E189 VanDerWaalsContact C-N 3.34Å; A187-E189 PolarHBondContact O-N 3.04Å; E189-R192 PolarHBondContact O-N 3.29Å; E189-R193 WeakPolarHBondContact O-CB 3.09Å; E189-R193 PolarHBondContact O-N 2.96Å
190	V	89.9	Confident	88.6	Confident	17 Å²	17	60 Å²	60	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-49.3	174.2	171.3	0	0	0	0	110.3	E119 K186 A187 R192 R193 F194 Y196	E119-V190 HydrophobicContact CB-CG1 4.29Å; E119-V190 VanDerWaalsContact O-CG1 3.24Å; E119-V190 WeakPolarHBondContact O-CG1 3.38Å; K186-V190 WeakPolarHBondContact O-CG2 3.44Å; K186-V190 PolarHBondContact O-N 3.04Å; A187-V190 WeakPolarHBondContact O-CB 3.49Å; A187-V190 PolarHBondContact O-N 3.17Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 PolarHBondContact O-N 2.81Å; V190-R193 PolarHBondContact O-N 2.85Å; V190-R193 VanDerWaalsContact O-N 3.1Å; V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 4.06Å; V190-F194 WeakPolarHBondContact O-CD2 3.49Å; V190-F194 PolarHBondContact O-N 2.83Å; V190-Y196 HydrophobicContact CG1-CE2 4.42Å
191	S	90.7	Very high	88.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-32.6	178.9	-57.8	0	0	0	0	113.9	L144 S146 A187 N195 Y196	L144-S191 WeakPolarHBondContact O-CB 3.36Å; L144-S191 PolarHBondContact O-OG 2.76Å; S146-S191 WeakPolarHBondContact CB-O 3.45Å; A187-S191 PolarHBondContact O-N 2.85Å; A187-S191 PolarHBondContact O-OG 3.21Å; A187-S191 VanDerWaalsContact O-OG 3.06Å; S191-N195 WeakPolarHBondContact O-CA 3.5Å; S191-N195 PolarHBondContact O-N 2.86Å; S191-N195 VanDerWaalsContact O-N 3.14Å; S191-Y196 PolarHBondContact O-N 3Å; S191-Y196 WeakPolarHBondContact OG-CD2 3.27Å
192	R	90.6	Very high	88.2	Confident	107 Å²	107	65.5 Å²	65.5	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-71.4	-46.1	170	-81.1	-178.2	-73	-85.5	0.6	112.2	S146 A148 C188 E189 V190 F194 N195	S146-R192 WeakPolarHBondContact O-CG 3.24Å; A148-R192 PolarHBondContact O-NH1 3.08Å; C188-R192 WeakPolarHBondContact O-CB 3.47Å; C188-R192 WeakPolarHBondContact O-CG 3.16Å; C188-R192 PolarHBondContact O-N 3.01Å; C188-R192 PolarHBondContact O-NE 3.31Å; C188-R192 PolarHBondContact O-NH2 3.13Å; E189-R192 PolarHBondContact O-N 3.29Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 PolarHBondContact O-N 2.81Å; R192-F194 VanDerWaalsContact C-N 3.3Å; R192-F194 PolarHBondContact O-N 3.11Å; R192-N195 PolarHBondContact O-N 2.84Å; R192-N195 VanDerWaalsContact O-N 3.12Å
193	R	90.3	Very high	88.2	Confident	182 Å²	182	59.7 Å²	59.7	69%	0.687	31%	0.306	S	S	*	.	H	α-helix	trans	-60.8	-37.2	-177.5	-176.1	172.8	179.3	156.1	-2.1	112.8	E189 V190	E189-R193 WeakPolarHBondContact O-CB 3.09Å; E189-R193 PolarHBondContact O-N 2.96Å; V190-R193 PolarHBondContact O-N 2.85Å; V190-R193 VanDerWaalsContact O-N 3.1Å
194	F	87.4	Confident	88	Confident	98 Å²	98	62.2 Å²	62.2	43%	0.43	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.9	176.7	-62.6	-71.3	0	0	0	113.9	T118 V190 R192 Y196	T118-F194 HydrophobicContact CG2-CD1 3.71Å; T118-F194 HydrophobicContact CG2-CE1 3.77Å; T118-F194 HydrophobicContact CG2-CG 4.13Å; T118-F194 HydrophobicContact CG2-CZ 4.24Å; V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 4.06Å; V190-F194 WeakPolarHBondContact O-CD2 3.49Å; V190-F194 PolarHBondContact O-N 2.83Å; R192-F194 VanDerWaalsContact C-N 3.3Å; R192-F194 PolarHBondContact O-N 3.11Å; F194-Y196 HydrophobicContact CB-CD1 3.94Å; F194-Y196 HydrophobicContact CB-CE1 3.37Å; F194-Y196 HydrophobicContact CG-CE1 4.32Å; F194-Y196 PolarHBondContact O-N 2.89Å
195	N	88	Confident	87.8	Confident	112 Å²	112	63.6 Å²	63.6	60%	0.599	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	51.9	177.7	-60	-85	0	0	0	113.9	S191 R192 F197	S191-N195 WeakPolarHBondContact O-CA 3.5Å; S191-N195 PolarHBondContact O-N 2.86Å; S191-N195 VanDerWaalsContact O-N 3.14Å; R192-N195 PolarHBondContact O-N 2.84Å; R192-N195 VanDerWaalsContact O-N 3.12Å; N195-F197 VanDerWaalsContact O-CD1 3.23Å; N195-F197 WeakPolarHBondContact O-CD1 3.45Å; N195-F197 PolarHBondContact O-N 2.85Å
196	Y	90.3	Very high	87.7	Confident	9 Å²	9	60 Å²	60	4%	0.035	31%	0.311	C	S	.	.			trans	-67.7	130.8	174.1	-57.6	-20.5	0	0	0	110.4	T118 E119 E120 S146 V190 S191 F194 A202 L203	T118-Y196 WeakPolarHBondContact CB-OH 3.47Å; E119-Y196 PolarHBondContact O-OH 3.38Å; E120-Y196 HydrophobicContact CG-CE2 4.14Å; S146-Y196 VanDerWaalsContact CB-O 3.3Å; S146-Y196 WeakPolarHBondContact CB-O 3.48Å; S146-Y196 PolarHBondContact N-O 2.93Å; S146-Y196 PolarHBondContact OG-O 2.81Å; V190-Y196 HydrophobicContact CG1-CE2 4.42Å; S191-Y196 PolarHBondContact O-N 3Å; S191-Y196 WeakPolarHBondContact OG-CD2 3.27Å; F194-Y196 HydrophobicContact CB-CD1 3.94Å; F194-Y196 HydrophobicContact CB-CE1 3.37Å; F194-Y196 HydrophobicContact CG-CE1 4.32Å; F194-Y196 PolarHBondContact O-N 2.89Å; Y196-A202 HydrophobicContact CD1-CB 3.44Å; Y196-A202 VanDerWaalsContact CD1-CB 3.44Å; Y196-A202 HydrophobicContact CE1-CB 3.82Å; Y196-A202 HydrophobicContact CG-CB 3.86Å; Y196-L203 HydrophobicContact CD2-CD2 4.49Å
197	F	88.6	Confident	87.5	Confident	116 Å²	116	57.3 Å²	57.3	51%	0.509	31%	0.309	S	S	.	.			trans	-140.9	151.9	179.2	59.7	-98.4	0	0	0	112	W145 N195 G199 G200	W145-F197 VanDerWaalsContact CZ3-C 3.48Å; W145-F197 VanDerWaalsContact CZ3-O 3.28Å; W145-F197 WeakPolarHBondContact CZ3-O 3.43Å; N195-F197 VanDerWaalsContact O-CD1 3.23Å; N195-F197 WeakPolarHBondContact O-CD1 3.45Å; N195-F197 PolarHBondContact O-N 2.85Å; F197-G199 PolarHBondContact O-N 2.83Å; F197-G200 PolarHBondContact O-N 2.94Å
198	P	84.6	Confident	87.4	Confident	76 Å²	76	61.5 Å²	61.5	49%	0.494	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	125.8	176.9	-22.8	31.4	0	0	0	112.4	W145 A163	W145-P198 HydrophobicContact CD2-CG 3.97Å; W145-P198 HydrophobicContact CG-CG 4.07Å; W145-P198 HydrophobicContact CZ2-CB 4.33Å; W145-P198 HydrophobicContact CZ2-CG 4.35Å; A163-P198 HydrophobicContact CB-CG 4.19Å
199	G	77.9	Confident	87.4	Confident	82 Å²	82	61.4 Å²	61.4	85%	0.845	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	5.4	-176.4	0	0	0	0	0	115	F197	F197-G199 PolarHBondContact O-N 2.83Å
200	G	82.5	Confident	87.2	Confident	21 Å²	21	62 Å²	62	22%	0.216	33%	0.33	C	S	.	.	S	Bend	trans	-74.7	-175.5	162.4	0	0	0	0	0	112.8	F197	F197-G200 PolarHBondContact O-N 2.94Å
201	I	82.8	Confident	87.1	Confident	116 Å²	116	65.7 Å²	65.7	60%	0.595	36%	0.356	S	S	*	.	S	Bend	trans	-82.5	-21	175	54.9	174.2	0	0	0	113.5	Q116 T204	Q116-I201 HydrophobicContact CG-CD1 4.44Å; I201-T204 WeakPolarHBondContact O-CG2 3.4Å; I201-T204 PolarHBondContact O-OG1 2.96Å
202	A	83.8	Confident	86.9	Confident	12 Å²	12	67.4 Å²	67.4	10%	0.099	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	151.2	176.5	0	0	0	0	0	111.8	Y196 T204	Y196-A202 HydrophobicContact CD1-CB 3.44Å; Y196-A202 VanDerWaalsContact CD1-CB 3.44Å; Y196-A202 HydrophobicContact CE1-CB 3.82Å; Y196-A202 HydrophobicContact CG-CB 3.86Å; A202-T204 PolarHBondContact O-N 3.25Å; A202-T204 VanDerWaalsContact O-N 3.16Å
203	L	86.2	Confident	86.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	10.8	-175.7	-47.3	-172.8	0	0	0	114.6	E120 I122 P143 W145 Y196 W205 M206	E120-L203 HydrophobicContact CB-CD2 3.81Å; E120-L203 HydrophobicContact CG-CD2 4.08Å; E120-L203 WeakPolarHBondContact OE2-CA 3.32Å; E120-L203 PolarHBondContact OE2-N 3.1Å; I122-L203 HydrophobicContact CG2-CD1 4.18Å; I122-L203 HydrophobicContact CG2-CD2 3.99Å; I122-L203 HydrophobicContact CG2-CG 4.47Å; P143-L203 HydrophobicContact CB-CD1 3.66Å; W145-L203 HydrophobicContact CD2-CD1 4.22Å; W145-L203 HydrophobicContact CE3-CD1 3.8Å; W145-L203 HydrophobicContact CE3-CG 4.41Å; W145-L203 HydrophobicContact CH2-CB 3.85Å; W145-L203 HydrophobicContact CH2-CD1 4Å; W145-L203 HydrophobicContact CH2-CG 4.27Å; W145-L203 HydrophobicContact CZ2-CD1 4.39Å; W145-L203 HydrophobicContact CZ3-CB 3.94Å; W145-L203 HydrophobicContact CZ3-CD1 3.69Å; W145-L203 HydrophobicContact CZ3-CG 3.91Å; Y196-L203 HydrophobicContact CD2-CD2 4.49Å; L203-W205 HydrophobicContact CD2-CZ2 4.44Å; L203-W205 PolarHBondContact O-N 3.01Å; L203-M206 HydrophobicContact CB-SD 4.42Å; L203-M206 VanDerWaalsContact O-CB 3.22Å; L203-M206 WeakPolarHBondContact O-CB 3.42Å; L203-M206 WeakPolarHBondContact O-CG 3.3Å; L203-M206 PolarHBondContact O-N 3.47Å
204	T	86.4	Confident	86.5	Confident	74 Å²	74	61.7 Å²	61.7	45%	0.454	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.8	-177.2	40.6	0	0	0	0	114.1	I201 A202 M206	I201-T204 WeakPolarHBondContact O-CG2 3.4Å; I201-T204 PolarHBondContact O-OG1 2.96Å; A202-T204 PolarHBondContact O-N 3.25Å; A202-T204 VanDerWaalsContact O-N 3.16Å; T204-M206 PolarHBondContact O-N 3.41Å
205	W	88.8	Confident	86.4	Confident	29 Å²	29	57.4 Å²	57.4	11%	0.11	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	173.2	55.4	-85.3	0	0	0	114.3	I110 T112 E120 I122 L203 A207 F208 Y209	I110-W205 HydrophobicContact CD1-CH2 4.16Å; I110-W205 HydrophobicContact CD1-CZ3 3.76Å; I110-W205 HydrophobicContact CG1-CH2 4.22Å; I110-W205 HydrophobicContact CG1-CZ3 4.32Å; T112-W205 HydrophobicContact CG2-CD2 4.01Å; T112-W205 VanDerWaalsContact CG2-CE2 3.41Å; T112-W205 HydrophobicContact CG2-CG 4.29Å; T112-W205 HydrophobicContact CG2-CH2 4.43Å; T112-W205 HydrophobicContact CG2-CZ2 3.67Å; E120-W205 HydrophobicContact CB-CZ2 4.12Å; E120-W205 VanDerWaalsContact OE2-CD1 3.3Å; E120-W205 PolarHBondContact OE2-NE1 3.09Å; I122-W205 HydrophobicContact CB-CH2 4.32Å; I122-W205 HydrophobicContact CD1-CE3 4.18Å; I122-W205 HydrophobicContact CD1-CH2 3.83Å; I122-W205 HydrophobicContact CD1-CZ3 3.49Å; I122-W205 VanDerWaalsContact CD1-CZ3 3.49Å; I122-W205 HydrophobicContact CG1-CH2 3.65Å; I122-W205 HydrophobicContact CG1-CZ3 3.83Å; I122-W205 HydrophobicContact CG2-CH2 3.99Å; I122-W205 HydrophobicContact CG2-CZ2 4.07Å; L203-W205 HydrophobicContact CD2-CZ2 4.44Å; L203-W205 PolarHBondContact O-N 3.01Å; W205-A207 PolarHBondContact O-N 3.31Å; W205-A207 VanDerWaalsContact O-N 3.15Å; W205-F208 WeakPolarHBondContact O-CB 3.33Å; W205-F208 PolarHBondContact O-N 3.5Å; W205-F208 VanDerWaalsContact O-N 3.08Å; W205-Y209 HydrophobicContact CE3-CD2 4.03Å; W205-Y209 AromaticContact CE3-CE2 3.79Å; W205-Y209 HydrophobicContact CE3-CE2 3.79Å; W205-Y209 HydrophobicContact CZ3-CD2 4.05Å; W205-Y209 AromaticContact CZ3-CE2 3.71Å; W205-Y209 HydrophobicContact CZ3-CE2 3.71Å
206	M	88	Confident	85.9	Confident	22 Å²	22	57.5 Å²	57.5	11%	0.108	34%	0.341	C	S	.	.	H	α-helix	trans	-57.4	-29.8	176.6	75.4	-178	-87.8	0	0	112.5	I122 V141 P143 W145 L203 T204 F208 Y209 E210	I122-M206 HydrophobicContact CD1-CB 4.23Å; V141-M206 HydrophobicContact CG1-CB 4.48Å; P143-M206 HydrophobicContact CB-CE 4.04Å; P143-M206 HydrophobicContact CB-SD 3.82Å; P143-M206 HydrophobicContact CG-CE 3.75Å; P143-M206 HydrophobicContact CG-SD 4.1Å; W145-M206 HydrophobicContact CH2-SD 4.3Å; W145-M206 HydrophobicContact CZ2-SD 3.99Å; L203-M206 HydrophobicContact CB-SD 4.42Å; L203-M206 VanDerWaalsContact O-CB 3.22Å; L203-M206 WeakPolarHBondContact O-CB 3.42Å; L203-M206 WeakPolarHBondContact O-CG 3.3Å; L203-M206 PolarHBondContact O-N 3.47Å; T204-M206 PolarHBondContact O-N 3.41Å; M206-F208 PolarHBondContact O-N 3.14Å; M206-Y209 PolarHBondContact O-N 3.28Å; M206-E210 HydrophobicContact CE-CG 4.26Å; M206-E210 WeakPolarHBondContact CE-OE1 3.41Å; M206-E210 PolarHBondContact O-N 2.84Å
207	A	86.9	Confident	85.4	Confident	54 Å²	54	62.9 Å²	62.9	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-27.1	178.9	0	0	0	0	0	112.9	W205 S211	W205-A207 PolarHBondContact O-N 3.31Å; W205-A207 VanDerWaalsContact O-N 3.15Å; A207-S211 WeakPolarHBondContact O-CB 3.47Å; A207-S211 PolarHBondContact O-N 3.33Å
208	F	89.6	Confident	84.8	Confident	87 Å²	87	59.6 Å²	59.6	38%	0.382	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-53.8	169.4	172.2	-98	0	0	0	110.3	R85 W205 M206 E210 S211 C212	R85-F208 HydrophobicContact CG-CD1 3.66Å; R85-F208 HydrophobicContact CG-CE1 3.47Å; R85-F208 VanDerWaalsContact CG-CE1 3.47Å; R85-F208 HydrophobicContact CG-CG 4.32Å; R85-F208 HydrophobicContact CG-CZ 3.97Å; W205-F208 WeakPolarHBondContact O-CB 3.33Å; W205-F208 PolarHBondContact O-N 3.5Å; W205-F208 VanDerWaalsContact O-N 3.08Å; M206-F208 PolarHBondContact O-N 3.14Å; F208-E210 PolarHBondContact O-N 2.73Å; F208-S211 PolarHBondContact O-N 3.34Å; F208-S211 VanDerWaalsContact O-N 3.14Å; F208-S211 PolarHBondContact O-OG 3.21Å; F208-C212 PolarHBondContact O-N 2.84Å; F208-C212 VanDerWaalsContact O-N 3.17Å; F208-C212 PolarHBondContact O-SG 3.5Å
209	Y	90.8	Very high	84.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.5	-34.5	-179.2	-67.8	-67.1	0	0	0	112.9	L84 R85 D88 I110 I122 L124 I138 W205 M206 S211 C212 I213	L84-Y209 WeakPolarHBondContact CA-OH 3.32Å; L84-Y209 HydrophobicContact CD2-CE1 3.93Å; L84-Y209 WeakPolarHBondContact CD2-OH 3.45Å; R85-Y209 PolarHBondContact N-OH 3.27Å; D88-Y209 WeakPolarHBondContact OD2-CE2 3.38Å; D88-Y209 VanDerWaalsContact OD2-CZ 3.29Å; D88-Y209 PolarHBondContact OD2-OH 3.13Å; I110-Y209 HydrophobicContact CD1-CD2 4.32Å; I110-Y209 HydrophobicContact CD1-CE2 3.74Å; I122-Y209 HydrophobicContact CD1-CD2 3.97Å; L124-Y209 HydrophobicContact CD1-CD1 3.96Å; L124-Y209 HydrophobicContact CD1-CE1 4.08Å; L124-Y209 HydrophobicContact CD1-CG 4.26Å; L124-Y209 HydrophobicContact CD2-CD1 4.45Å; L124-Y209 HydrophobicContact CD2-CG 4.09Å; I138-Y209 HydrophobicContact CD1-CD1 3.61Å; I138-Y209 HydrophobicContact CD1-CE1 4.31Å; W205-Y209 HydrophobicContact CE3-CD2 4.03Å; W205-Y209 AromaticContact CE3-CE2 3.79Å; W205-Y209 HydrophobicContact CE3-CE2 3.79Å; W205-Y209 HydrophobicContact CZ3-CD2 4.05Å; W205-Y209 AromaticContact CZ3-CE2 3.71Å; W205-Y209 HydrophobicContact CZ3-CE2 3.71Å; M206-Y209 PolarHBondContact O-N 3.28Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.16Å; Y209-C212 CarbonylContact O-C 3.59Å; Y209-C212 WeakPolarHBondContact O-CA 3.37Å; Y209-C212 PolarHBondContact O-N 2.79Å; Y209-I213 PolarHBondContact O-N 2.87Å
210	E	87.9	Confident	84.7	Confident	88 Å²	88	53.8 Å²	53.8	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-38.5	172.1	-69.1	-174	127.9	0	0	111.5	V141 M206 F208 C212 I213	V141-E210 HydrophobicContact CB-CG 4.07Å; V141-E210 HydrophobicContact CG1-CG 4.12Å; V141-E210 HydrophobicContact CG2-CG 4.27Å; M206-E210 HydrophobicContact CE-CG 4.26Å; M206-E210 WeakPolarHBondContact CE-OE1 3.41Å; M206-E210 PolarHBondContact O-N 2.84Å; F208-E210 PolarHBondContact O-N 2.73Å; E210-C212 PolarHBondContact O-N 3.19Å; E210-I213 WeakPolarHBondContact O-CG1 3.45Å; E210-I213 PolarHBondContact O-N 3.5Å
211	S	87.5	Confident	84.5	Confident	93 Å²	93	57.2 Å²	57.2	65%	0.65	32%	0.316	S	S	*	.	H	α-helix	trans	-71.4	-13.8	173.4	80.5	0	0	0	0	114.2	A207 F208 Y209	A207-S211 WeakPolarHBondContact O-CB 3.47Å; A207-S211 PolarHBondContact O-N 3.33Å; F208-S211 PolarHBondContact O-N 3.34Å; F208-S211 VanDerWaalsContact O-N 3.14Å; F208-S211 PolarHBondContact O-OG 3.21Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.16Å
212	C	87.1	Confident	84.4	Confident	37 Å²	37	53.6 Å²	53.6	25%	0.25	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8.6	179.1	-64.4	0	0	0	0	113.9	I138 F208 Y209 E210 T214	I138-C212 HydrophobicContact CD1-CB 4.32Å; F208-C212 PolarHBondContact O-N 2.84Å; F208-C212 VanDerWaalsContact O-N 3.17Å; F208-C212 PolarHBondContact O-SG 3.5Å; Y209-C212 CarbonylContact O-C 3.59Å; Y209-C212 WeakPolarHBondContact O-CA 3.37Å; Y209-C212 PolarHBondContact O-N 2.79Å; E210-C212 PolarHBondContact O-N 3.19Å; C212-T214 WeakPolarHBondContact O-CB 3.36Å; C212-T214 WeakPolarHBondContact O-CG2 3.23Å; C212-T214 PolarHBondContact O-N 3.33Å; C212-T214 VanDerWaalsContact O-N 3.11Å; C212-T214 PolarHBondContact O-OG1 3.07Å
213	I	87.2	Confident	84.2	Confident	69 Å²	69	53.6 Å²	53.6	35%	0.354	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-62.6	115	172.5	-63	173.5	0	0	0	108.7	I138 V141 Y209 E210 I220	I138-I213 HydrophobicContact CG2-CG1 4.29Å; I138-I213 CarbonylContact O-C 3.59Å; I138-I213 WeakPolarHBondContact O-CA 3.15Å; V141-I213 HydrophobicContact CG2-CD1 4.14Å; V141-I213 HydrophobicContact CG2-CG1 4.1Å; Y209-I213 PolarHBondContact O-N 2.87Å; E210-I213 WeakPolarHBondContact O-CG1 3.45Å; E210-I213 PolarHBondContact O-N 3.5Å; I213-I220 HydrophobicContact CG2-CD1 3.84Å; I213-I220 HydrophobicContact CG2-CG1 4.35Å
214	T	84.4	Confident	83.7	Confident	99 Å²	99	57.7 Å²	57.7	61%	0.607	32%	0.316	S	S	*	.			trans	-142.2	-6.3	-162.4	38.6	0	0	0	0	113.9	I138 C212	I138-T214 PolarHBondContact O-N 2.99Å; C212-T214 WeakPolarHBondContact O-CB 3.36Å; C212-T214 WeakPolarHBondContact O-CG2 3.23Å; C212-T214 PolarHBondContact O-N 3.33Å; C212-T214 VanDerWaalsContact O-N 3.11Å; C212-T214 PolarHBondContact O-OG1 3.07Å
215	S	84.7	Confident	82.7	Confident	8 Å²	8	56.7 Å²	56.7	6%	0.056	32%	0.316	C	S	.	.	S	Bend	trans	-62.5	156.6	173.7	-63.1	0	0	0	0	111.9	D127 S137 I138 G139 I220	D127-S215 WeakPolarHBondContact CB-OG 3.06Å; D127-S215 VanDerWaalsContact OD2-CB 3.23Å; D127-S215 WeakPolarHBondContact OD2-CB 3.23Å; D127-S215 PolarHBondContact OD2-OG 2.6Å; S137-S215 WeakPolarHBondContact CB-OG 3.39Å; S137-S215 VanDerWaalsContact OG-CA 3.31Å; S137-S215 WeakPolarHBondContact OG-CA 3.5Å; S137-S215 WeakPolarHBondContact OG-CB 3.47Å; S137-S215 PolarHBondContact OG-OG 3.18Å; I138-S215 PolarHBondContact O-N 3.35Å; I138-S215 VanDerWaalsContact O-N 3.08Å; I138-S215 PolarHBondContact O-OG 2.83Å; G139-S215 WeakPolarHBondContact CA-OG 3.48Å; G139-S215 PolarHBondContact N-OG 3.14Å; G139-S215 VanDerWaalsContact N-OG 3.17Å; S215-I220 VanDerWaalsContact O-CD1 3.3Å; S215-I220 WeakPolarHBondContact O-CD1 3.23Å
216	E	79.1	Confident	80.9	Confident	114 Å²	114	62.1 Å²	62.1	53%	0.533	34%	0.344	S	S	.	.			trans	-56.7	150.9	173.6	-54	-177.2	156.8	0	0	111.4	R103 S218 F219 I220	R103-E216 IonicContact CZ-OE2 3.76Å; R103-E216 IonicContact NH2-OE2 2.63Å; R103-E216 PolarHBondContact NH2-OE2 2.73Å; E216-S218 WeakPolarHBondContact CB-OG 3.28Å; E216-S218 PolarHBondContact O-N 3.27Å; E216-S218 PolarHBondContact OE2-OG 2.78Å; E216-F219 HydrophobicContact CB-CD2 4.04Å; E216-F219 HydrophobicContact CG-CD2 4.25Å; E216-F219 PolarHBondContact O-N 2.97Å; E216-I220 PolarHBondContact O-N 3.29Å
217	Q	78.6	Confident	78.9	Confident	122 Å²	122	65.4 Å²	65.4	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-53.6	-28.5	174.6	-167.2	63	59.7	0	0	113	N221	Q217-N221 PolarHBondContact NE2-OD1 3.37Å; Q217-N221 VanDerWaalsContact O-CB 3.31Å; Q217-N221 WeakPolarHBondContact O-CB 3.42Å; Q217-N221 PolarHBondContact O-N 2.87Å; Q217-N221 PolarHBondContact O-ND2 3.06Å; Q217-N221 PolarHBondContact O-OD1 2.81Å
218	S	76.3	Confident	76.4	Confident	48 Å²	48	69.9 Å²	69.9	34%	0.336	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-44.2	174.5	62	0	0	0	0	112.6	R103 E216 E222	R103-S218 PolarHBondContact NH1-OG 3.44Å; R103-S218 PolarHBondContact NH2-OG 3.42Å; R103-S218 VanDerWaalsContact NH2-OG 3.17Å; E216-S218 WeakPolarHBondContact CB-OG 3.28Å; E216-S218 PolarHBondContact O-N 3.27Å; E216-S218 PolarHBondContact OE2-OG 2.78Å; S218-E222 PolarHBondContact O-N 3.26Å
219	F	79.8	Confident	74.2	Confident	4 Å²	4	73 Å²	73	2%	0.018	40%	0.401	C	S	.	.	H	α-helix	trans	-71.1	-44.9	174.2	-74.6	-82.2	0	0	0	111.6	R103 R105 D127 E216 N221 E222 W223	R103-F219 HydrophobicContact CB-CE1 3.9Å; R103-F219 HydrophobicContact CB-CZ 4.12Å; R103-F219 HydrophobicContact CG-CE1 3.93Å; R103-F219 HydrophobicContact CG-CZ 3.73Å; R103-F219 VanDerWaalsContact CZ-CE2 3.46Å; R103-F219 VanDerWaalsContact NH1-CD2 3.32Å; R105-F219 HydrophobicContact CG-CD1 4.26Å; R105-F219 HydrophobicContact CG-CE1 4.25Å; D127-F219 HydrophobicContact CB-CB 4.48Å; D127-F219 HydrophobicContact CB-CD1 3.65Å; D127-F219 HydrophobicContact CB-CD2 4.43Å; D127-F219 HydrophobicContact CB-CE1 3.81Å; D127-F219 HydrophobicContact CB-CG 3.98Å; D127-F219 HydrophobicContact CB-CZ 4.3Å; D127-F219 VanDerWaalsContact CG-CD1 3.41Å; D127-F219 VanDerWaalsContact OD1-CD1 3.23Å; D127-F219 WeakPolarHBondContact OD1-CD1 3.47Å; E216-F219 HydrophobicContact CB-CD2 4.04Å; E216-F219 HydrophobicContact CG-CD2 4.25Å; E216-F219 PolarHBondContact O-N 2.97Å; F219-N221 PolarHBondContact O-N 2.98Å; F219-E222 CarbonylContact O-C 3.56Å; F219-E222 WeakPolarHBondContact O-CA 3.19Å; F219-E222 WeakPolarHBondContact O-CB 3.32Å; F219-E222 PolarHBondContact O-N 3.34Å; F219-W223 PolarHBondContact O-N 2.82Å
220	I	80	Confident	71.4	Confident	31 Å²	31	81.4 Å²	81.4	16%	0.159	44%	0.441	C	S	.	.	H	α-helix	trans	-57.6	-39.7	178.1	-63.8	174.3	0	0	0	110.3	I213 S215 E216 W223 N224	I213-I220 HydrophobicContact CG2-CD1 3.84Å; I213-I220 HydrophobicContact CG2-CG1 4.35Å; S215-I220 VanDerWaalsContact O-CD1 3.3Å; S215-I220 WeakPolarHBondContact O-CD1 3.23Å; E216-I220 PolarHBondContact O-N 3.29Å; I220-W223 PolarHBondContact O-N 3.44Å; I220-N224 PolarHBondContact O-N 3.32Å; I220-N224 PolarHBondContact O-ND2 2.86Å
221	N	79.1	Confident	68.8	Low	94 Å²	94	82.9 Å²	82.9	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-38.2	173.1	-68.4	-1.8	0	0	0	112.2	Q217 F219 W223 N224 A225	Q217-N221 PolarHBondContact NE2-OD1 3.37Å; Q217-N221 VanDerWaalsContact O-CB 3.31Å; Q217-N221 WeakPolarHBondContact O-CB 3.42Å; Q217-N221 PolarHBondContact O-N 2.87Å; Q217-N221 PolarHBondContact O-ND2 3.06Å; Q217-N221 PolarHBondContact O-OD1 2.81Å; F219-N221 PolarHBondContact O-N 2.98Å; N221-W223 VanDerWaalsContact C-N 3.28Å; N221-W223 PolarHBondContact O-N 3.47Å; N221-N224 CarbonylContact O-C 3.44Å; N221-N224 PolarHBondContact O-N 2.9Å; N221-A225 WeakPolarHBondContact O-CB 3.31Å; N221-A225 PolarHBondContact O-N 3.2Å
222	E	79.4	Confident	66	Low	39 Å²	39	84.2 Å²	84.2	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-71.3	-17.8	177.2	-149.7	-175.5	154	0	0	113.5	S98 G99 R105 S218 F219	S98-E222 WeakPolarHBondContact CA-OE1 3.47Å; S98-E222 WeakPolarHBondContact CB-OE1 3.43Å; S98-E222 PolarHBondContact OG-OE1 2.77Å; S98-E222 PolarHBondContact OG-OE2 2.82Å; G99-E222 PolarHBondContact N-OE1 3.25Å; R105-E222 IonicContact CZ-OE1 3.55Å; R105-E222 VanDerWaalsContact CZ-OE1 3.28Å; R105-E222 IonicContact NE-OE1 2.73Å; R105-E222 PolarHBondContact NE-OE1 2.97Å; R105-E222 PolarHBondContact NH1-O 3.02Å; R105-E222 IonicContact NH1-OE1 3.15Å; R105-E222 IonicContact NH2-OE1 3.91Å; R105-E222 PolarHBondContact NH2-OE1 3.27Å; S218-E222 PolarHBondContact O-N 3.26Å; F219-E222 CarbonylContact O-C 3.56Å; F219-E222 WeakPolarHBondContact O-CA 3.19Å; F219-E222 WeakPolarHBondContact O-CB 3.32Å; F219-E222 PolarHBondContact O-N 3.34Å
223	W	81.3	Confident	63.4	Low	13 Å²	13	93.8 Å²	93.8	5%	0.049	49%	0.491	C	S	.	.	H	α-helix	trans	-90.4	-27.6	171.3	-73.1	113.7	0	0	0	114	L96 R105 G125 D127 M140 H167 F169 F219 I220 N221	L96-W223 HydrophobicContact CD1-CH2 3.39Å; L96-W223 HydrophobicContact CD1-CZ3 3.45Å; L96-W223 VanDerWaalsContact CD1-CZ3 3.45Å; R105-W223 HydrophobicContact CB-CH2 4.37Å; R105-W223 HydrophobicContact CB-CZ2 3.94Å; R105-W223 HydrophobicContact CG-CZ2 4.47Å; G125-W223 VanDerWaalsContact CA-CH2 3.45Å; D127-W223 VanDerWaalsContact CG-NE1 3.28Å; D127-W223 PolarHBondContact OD1-NE1 2.84Å; D127-W223 PolarHBondContact OD2-NE1 3.38Å; M140-W223 HydrophobicContact CB-CB 3.98Å; M140-W223 HydrophobicContact CB-CD2 4.03Å; M140-W223 HydrophobicContact CB-CE3 4.32Å; M140-W223 HydrophobicContact CB-CG 3.89Å; M140-W223 HydrophobicContact CE-CD2 4.28Å; M140-W223 HydrophobicContact CE-CE3 3.44Å; M140-W223 VanDerWaalsContact CE-CE3 3.44Å; M140-W223 HydrophobicContact CE-CZ3 3.69Å; M140-W223 HydrophobicContact CG-CB 4.45Å; M140-W223 HydrophobicContact SD-CB 4.07Å; M140-W223 HydrophobicContact SD-CD2 4.35Å; M140-W223 HydrophobicContact SD-CE3 3.85Å; M140-W223 HydrophobicContact SD-CG 4.49Å; H167-W223 PolarHBondContact ND1-O 2.88Å; F169-W223 HydrophobicContact CD1-CZ3 4.24Å; F169-W223 HydrophobicContact CE1-CZ3 4.01Å; F219-W223 PolarHBondContact O-N 2.82Å; I220-W223 PolarHBondContact O-N 3.44Å; N221-W223 VanDerWaalsContact C-N 3.28Å; N221-W223 PolarHBondContact O-N 3.47Å
224	N	74.5	Confident	60.9	Low	86 Å²	86	96.1 Å²	96.1	46%	0.46	51%	0.514	S	S	.	.	S	Bend	trans	-99.3	5.9	178.3	-68.4	-82.8	0	0	0	112.8	I220 N221 M226	I220-N224 PolarHBondContact O-N 3.32Å; I220-N224 PolarHBondContact O-ND2 2.86Å; N221-N224 CarbonylContact O-C 3.44Å; N221-N224 PolarHBondContact O-N 2.9Å; N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 2.72Å
225	A	65.6	Low	58.3	Low	54 Å²	54	98.9 Å²	98.9	45%	0.446	53%	0.525	S	S	.	.			trans	-71.9	83.1	175	0	0	0	0	0	111.1	N221 T227	N221-A225 WeakPolarHBondContact O-CB 3.31Å; N221-A225 PolarHBondContact O-N 3.2Å; A225-T227 PolarHBondContact O-N 3.37Å; A225-T227 PolarHBondContact O-OG1 3.13Å
226	M	52.3	Low	55.8	Low	142 Å²	142	103.2 Å²	103.2	70%	0.7	56%	0.555	S	S	*	*			trans	-56.5	106.9	161	-64	-173.6	-61.6	0	0	107.9	N224 D228	N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 2.72Å; M226-D228 VanDerWaalsContact C-N 3.26Å; M226-D228 PolarHBondContact O-N 3.47Å
227	T	44.5	Very low	54.1	Low	91 Å²	91	103.7 Å²	103.7	56%	0.558	57%	0.568	S	S	*	*			trans	-82.7	79.3	-179.4	-54.5	0	0	0	0	108.4	A225	A225-T227 PolarHBondContact O-N 3.37Å; A225-T227 PolarHBondContact O-OG1 3.13Å
228	D	34.9	Very low	51.9	Low	149 Å²	149	105.8 Å²	105.8	80%	0.797	58%	0.583	S	S	*	*			trans	29.6	132.7	170.4	-67.4	-48.1	0	0	0	120.8	M226 E230	M226-D228 VanDerWaalsContact C-N 3.26Å; M226-D228 PolarHBondContact O-N 3.47Å; D228-E230 PolarHBondContact O-N 3.25Å
229	L	42.5	Very low	50.2	Low	151 Å²	151	110.7 Å²	110.7	79%	0.791	60%	0.603	S	S	*	*			trans	-67.6	112.6	-177.9	-70.3	76.8	0	0	0	113.3
230	E	32.2	Very low	48.6	Very low	178 Å²	178	118.9 Å²	118.9	83%	0.832	64%	0.639	S	S	*	*			trans	-130.8	54.8	148.2	-73.1	-153.7	148.7	0	0	112.2	D228 T232	D228-E230 PolarHBondContact O-N 3.25Å; E230-T232 VanDerWaalsContact C-N 3.27Å; E230-T232 PolarHBondContact O-N 3.49Å
231	T	33.8	Very low	46.6	Very low	119 Å²	119	123.8 Å²	123.8	73%	0.73	67%	0.67	S	S	*	*			trans	-73.1	81.5	165	57.6	0	0	0	0	110.4	R233	T231-R233 VanDerWaalsContact C-N 3.35Å; T231-R233 PolarHBondContact O-N 3.49Å
232	T	29.1	Very low	45.2	Very low	120 Å²	120	127.3 Å²	127.3	74%	0.736	69%	0.688	S	S	*	*			trans	-69.8	88.3	171.6	40	0	0	0	0	110.3	E230 S234	E230-T232 VanDerWaalsContact C-N 3.27Å; E230-T232 PolarHBondContact O-N 3.49Å; T232-S234 PolarHBondContact O-N 3.35Å; T232-S234 VanDerWaalsContact O-N 3.15Å
233	R	33	Very low	43.6	Very low	238 Å²	238	127.5 Å²	127.5	90%	0.898	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-51.3	122.8	166.9	-91.8	-175.7	169.3	173.9	-3.1	109.6	T231 D235	T231-R233 VanDerWaalsContact C-N 3.35Å; T231-R233 PolarHBondContact O-N 3.49Å; R233-D235 PolarHBondContact O-N 3.09Å
234	S	34.2	Very low	42.1	Very low	119 Å²	119	130 Å²	130	83%	0.832	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-55.6	130.5	161.3	-24.5	0	0	0	0	108.7	T232	T232-S234 PolarHBondContact O-N 3.35Å; T232-S234 VanDerWaalsContact O-N 3.15Å
235	D	30.3	Very low	41.7	Very low	156 Å²	156	129.7 Å²	129.7	83%	0.834	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-70.4	166.3	179.7	-127.4	-36.1	0	0	0	111.8	R233	R233-D235 PolarHBondContact O-N 3.09Å
236	S	30.9	Very low	41.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-60	147	-174.3	-65.1	0	0	0	0	112.9	N238	S236-N238 PolarHBondContact O-N 3.07Å
237	P	43.8	Very low	43	Very low	123 Å²	123	134 Å²	134	80%	0.799	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.8	-168.8	25.3	-35.1	0	0	0	112.8
238	N	32.7	Very low	44.3	Very low	167 Å²	167	134 Å²	134	89%	0.893	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-71.8	139.2	166.9	-86.9	-38.4	0	0	0	110.5	S236	S236-N238 PolarHBondContact O-N 3.07Å
239	M	40.1	Very low	46.2	Very low	151 Å²	151	134.2 Å²	134.2	74%	0.744	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-85.1	135.3	-176.2	-66.4	-128	69.8	0	0	112.5
240	F	46	Very low	48.1	Very low	176 Å²	176	128.9 Å²	128.9	77%	0.772	68%	0.681	S	S	*	*			trans	56.2	101.3	166.1	-64.2	-74.7	0	0	0	118.4
241	V	39.6	Very low	50.6	Low	134 Å²	134	121.9 Å²	121.9	81%	0.812	65%	0.648	S	S	*	*			trans	-135.9	120.5	143.3	-179.7	0	0	0	0	107.8	G243	V241-G243 PolarHBondContact O-N 3.27Å
242	D	47.8	Very low	52.5	Low	167 Å²	167	120.1 Å²	120.1	89%	0.893	64%	0.64	S	S	*	*			trans	-85.4	102	169.7	-93.7	-50.4	0	0	0	109.6
243	G	47.5	Very low	55	Low	43 Å²	43	118.8 Å²	118.8	44%	0.443	63%	0.628	S	S	.	*	S	Bend	trans	151	129.1	173.8	0	0	0	0	0	111.5	V241 T245	V241-G243 PolarHBondContact O-N 3.27Å; G243-T245 PolarHBondContact O-N 2.89Å
244	P	48.2	Very low	57.6	Low	67 Å²	67	107.4 Å²	107.4	44%	0.435	59%	0.585	S	S	.	*			trans	-63.9	134.1	-173.4	24.4	-33.3	0	0	0	111	E248 R249	P244-E248 WeakPolarHBondContact CA-OE2 3.33Å; P244-E248 HydrophobicContact CB-CB 4.04Å; P244-E248 WeakPolarHBondContact CB-OE2 3.2Å; P244-R249 PolarHBondContact O-NH1 3.11Å; P244-R249 PolarHBondContact O-NH2 2.83Å
245	T	67.8	Low	59.8	Low	79 Å²	79	105.2 Å²	105.2	49%	0.485	56%	0.56	S	S	.	*			trans	-61.1	157.2	176.6	-49.1	0	0	0	0	110.5	G243 R247 E248 R249	G243-T245 PolarHBondContact O-N 2.89Å; T245-R247 HydrophobicContact CG2-CB 4Å; T245-R247 PolarHBondContact O-N 3.09Å; T245-E248 WeakPolarHBondContact CB-OE1 3.28Å; T245-E248 VanDerWaalsContact N-CD 3.3Å; T245-E248 PolarHBondContact N-OE1 3Å; T245-E248 PolarHBondContact O-N 2.87Å; T245-E248 PolarHBondContact OG1-OE1 3.31Å; T245-R249 PolarHBondContact O-N 3Å; T245-R249 VanDerWaalsContact O-N 3.11Å
246	E	68	Low	62.1	Low	160 Å²	160	101.5 Å²	101.5	75%	0.748	55%	0.547	S	S	*	.	H	α-helix	trans	-52.4	-40.5	169.8	-173.4	169.3	-164.2	0	0	111.5	E248 R249 T250	E246-E248 PolarHBondContact O-N 3.23Å; E246-R249 PolarHBondContact O-N 2.85Å; E246-T250 PolarHBondContact O-N 3.46Å; E246-T250 VanDerWaalsContact O-N 3.15Å; E246-T250 PolarHBondContact O-OG1 3.29Å; E246-T250 VanDerWaalsContact O-OG1 3.14Å
247	R	76	Confident	64.7	Low	127 Å²	127	100 Å²	100	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-53	-50.7	169.5	-170.3	-175.6	170.6	115.6	14.7	113.2	T245 R249 T250 E251 Y290	T245-R247 HydrophobicContact CG2-CB 4Å; T245-R247 PolarHBondContact O-N 3.09Å; R247-R249 VanDerWaalsContact C-N 3.35Å; R247-R249 PolarHBondContact O-N 3.45Å; R247-T250 WeakPolarHBondContact O-CB 3.41Å; R247-T250 PolarHBondContact O-N 2.95Å; R247-T250 VanDerWaalsContact O-N 3.15Å; R247-E251 HydrophobicContact CG-CG 4.44Å; R247-E251 IonicContact CZ-OE1 3.29Å; R247-E251 VanDerWaalsContact CZ-OE1 3.29Å; R247-E251 IonicContact NE-OE1 2.75Å; R247-E251 PolarHBondContact NE-OE1 2.6Å; R247-E251 IonicContact NH2-OE1 2.95Å; R247-E251 PolarHBondContact NH2-OE1 3.27Å; R247-E251 WeakPolarHBondContact O-CB 3.32Å; R247-E251 WeakPolarHBondContact O-CG 3.23Å; R247-E251 PolarHBondContact O-N 2.97Å; R247-Y290 HydrophobicContact CG-CE1 3.9Å
248	E	72.2	Confident	66.7	Low	89 Å²	89	94.2 Å²	94.2	42%	0.416	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-34	-177.8	-68.4	162.5	-114.4	0	0	112.6	P244 T245 E246 T250 C252	P244-E248 WeakPolarHBondContact CA-OE2 3.33Å; P244-E248 HydrophobicContact CB-CB 4.04Å; P244-E248 WeakPolarHBondContact CB-OE2 3.2Å; T245-E248 WeakPolarHBondContact CB-OE1 3.28Å; T245-E248 VanDerWaalsContact N-CD 3.3Å; T245-E248 PolarHBondContact N-OE1 3Å; T245-E248 PolarHBondContact O-N 2.87Å; T245-E248 PolarHBondContact OG1-OE1 3.31Å; E246-E248 PolarHBondContact O-N 3.23Å; E248-T250 VanDerWaalsContact C-N 3.34Å; E248-C252 VanDerWaalsContact O-CB 3.28Å; E248-C252 WeakPolarHBondContact O-CB 3.48Å; E248-C252 PolarHBondContact O-N 2.94Å
249	R	75.6	Confident	68.7	Low	154 Å²	154	89.5 Å²	89.5	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-62.9	-43.8	171.8	-68.2	-172.9	-176.7	73.9	6.1	110.8	P244 T245 E246 R247 C252 L253	P244-R249 PolarHBondContact O-NH1 3.11Å; P244-R249 PolarHBondContact O-NH2 2.83Å; T245-R249 PolarHBondContact O-N 3Å; T245-R249 VanDerWaalsContact O-N 3.11Å; E246-R249 PolarHBondContact O-N 2.85Å; R247-R249 VanDerWaalsContact C-N 3.35Å; R247-R249 PolarHBondContact O-N 3.45Å; R249-C252 PolarHBondContact O-N 2.77Å; R249-L253 PolarHBondContact O-N 3.47Å
250	T	80.9	Confident	70.5	Confident	39 Å²	39	86 Å²	86	24%	0.239	44%	0.444	C	S	.	.	H	α-helix	trans	-66.1	-45.1	177	-56.6	0	0	0	0	111.5	E246 R247 E248 C252 L253 I254 Y290	E246-T250 PolarHBondContact O-N 3.46Å; E246-T250 VanDerWaalsContact O-N 3.15Å; E246-T250 PolarHBondContact O-OG1 3.29Å; E246-T250 VanDerWaalsContact O-OG1 3.14Å; R247-T250 WeakPolarHBondContact O-CB 3.41Å; R247-T250 PolarHBondContact O-N 2.95Å; R247-T250 VanDerWaalsContact O-N 3.15Å; E248-T250 VanDerWaalsContact C-N 3.34Å; T250-C252 VanDerWaalsContact C-N 3.33Å; T250-C252 PolarHBondContact O-N 3.45Å; T250-L253 PolarHBondContact O-N 2.67Å; T250-L253 VanDerWaalsContact O-N 3.17Å; T250-I254 HydrophobicContact CG2-CD1 4Å; T250-I254 HydrophobicContact CG2-CG1 4.47Å; T250-I254 WeakPolarHBondContact O-CB 3.48Å; T250-I254 VanDerWaalsContact O-CG1 3.26Å; T250-I254 WeakPolarHBondContact O-CG1 3.28Å; T250-I254 PolarHBondContact O-N 2.97Å; T250-Y290 HydrophobicContact CG2-CD2 4.29Å; T250-Y290 HydrophobicContact CG2-CE1 4.03Å; T250-Y290 HydrophobicContact CG2-CE2 3.72Å
251	E	84.4	Confident	72.3	Confident	31 Å²	31	77.9 Å²	77.9	15%	0.145	41%	0.408	C	S	.	.	H	α-helix	trans	-60.2	-39.1	174.9	-76	174.7	170.7	0	0	112.2	R247 K255 Y290 F293	R247-E251 HydrophobicContact CG-CG 4.44Å; R247-E251 IonicContact CZ-OE1 3.29Å; R247-E251 VanDerWaalsContact CZ-OE1 3.29Å; R247-E251 IonicContact NE-OE1 2.75Å; R247-E251 PolarHBondContact NE-OE1 2.6Å; R247-E251 IonicContact NH2-OE1 2.95Å; R247-E251 PolarHBondContact NH2-OE1 3.27Å; R247-E251 WeakPolarHBondContact O-CB 3.32Å; R247-E251 WeakPolarHBondContact O-CG 3.23Å; R247-E251 PolarHBondContact O-N 2.97Å; E251-K255 WeakPolarHBondContact O-CB 3.48Å; E251-K255 PolarHBondContact O-N 3.41Å; E251-Y290 HydrophobicContact CG-CD1 3.67Å; E251-Y290 HydrophobicContact CG-CE1 3.77Å; E251-F293 HydrophobicContact CB-CD1 4.2Å; E251-F293 HydrophobicContact CB-CD2 4.21Å; E251-F293 HydrophobicContact CB-CE1 3.78Å; E251-F293 HydrophobicContact CB-CE2 3.79Å; E251-F293 HydrophobicContact CB-CG 4.41Å; E251-F293 HydrophobicContact CB-CZ 3.57Å; E251-F293 HydrophobicContact CG-CD1 3.92Å; E251-F293 HydrophobicContact CG-CD2 3.81Å; E251-F293 HydrophobicContact CG-CE1 4.04Å; E251-F293 HydrophobicContact CG-CE2 3.93Å; E251-F293 HydrophobicContact CG-CG 3.82Å; E251-F293 HydrophobicContact CG-CZ 4.06Å; E251-F293 WeakPolarHBondContact O-CE1 3.41Å; E251-F293 WeakPolarHBondContact O-CZ 3.22Å
252	C	73.9	Confident	74.2	Confident	82 Å²	82	71.5 Å²	71.5	55%	0.554	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-41.6	173.3	-171.3	0	0	0	0	112.7	E248 R249 T250 K255 S256	E248-C252 VanDerWaalsContact O-CB 3.28Å; E248-C252 WeakPolarHBondContact O-CB 3.48Å; E248-C252 PolarHBondContact O-N 2.94Å; R249-C252 PolarHBondContact O-N 2.77Å; T250-C252 VanDerWaalsContact C-N 3.33Å; T250-C252 PolarHBondContact O-N 3.45Å; C252-K255 PolarHBondContact O-N 3.33Å; C252-S256 PolarHBondContact O-N 3.47Å
253	L	83.1	Confident	75.2	Confident	92 Å²	92	66.1 Å²	66.1	48%	0.482	34%	0.34	S	S	.	.	H	α-helix	trans	-67.7	-42.3	176.8	-176	60.2	0	0	0	111.9	R249 T250 S256 K257 M283	R249-L253 PolarHBondContact O-N 3.47Å; T250-L253 PolarHBondContact O-N 2.67Å; T250-L253 VanDerWaalsContact O-N 3.17Å; L253-S256 PolarHBondContact O-N 2.68Å; L253-K257 HydrophobicContact CD1-CG 4.42Å; L253-K257 PolarHBondContact O-N 2.89Å; L253-M283 HydrophobicContact CB-CE 4.14Å; L253-M283 HydrophobicContact CD2-CE 3.77Å; L253-M283 HydrophobicContact CG-CE 3.72Å
254	I	87.4	Confident	76.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-54.4	-54.5	170.6	-73.8	167.4	0	0	0	109.9	T250 S256 K257 L258 L279 M283 L287 Y290 F293 I294	T250-I254 HydrophobicContact CG2-CD1 4Å; T250-I254 HydrophobicContact CG2-CG1 4.47Å; T250-I254 WeakPolarHBondContact O-CB 3.48Å; T250-I254 VanDerWaalsContact O-CG1 3.26Å; T250-I254 WeakPolarHBondContact O-CG1 3.28Å; T250-I254 PolarHBondContact O-N 2.97Å; I254-S256 PolarHBondContact O-N 3.3Å; I254-K257 PolarHBondContact O-N 2.85Å; I254-K257 VanDerWaalsContact O-N 3.15Å; I254-L258 WeakPolarHBondContact O-CB 3.2Å; I254-L258 PolarHBondContact O-N 3.03Å; I254-L279 HydrophobicContact CG2-CD2 4.1Å; I254-M283 HydrophobicContact CB-SD 4.33Å; I254-M283 HydrophobicContact CG1-CE 3.75Å; I254-M283 HydrophobicContact CG1-SD 3.66Å; I254-L287 HydrophobicContact CD1-CD2 3.83Å; I254-L287 HydrophobicContact CG1-CD2 4.07Å; I254-Y290 HydrophobicContact CD1-CD1 3.64Å; I254-Y290 HydrophobicContact CD1-CD2 3.83Å; I254-Y290 HydrophobicContact CD1-CE1 4.41Å; I254-Y290 HydrophobicContact CD1-CG 3.34Å; I254-F293 HydrophobicContact CB-CD1 4.42Å; I254-F293 HydrophobicContact CB-CE1 4.12Å; I254-F293 HydrophobicContact CG2-CD1 3.82Å; I254-F293 HydrophobicContact CG2-CE1 3.73Å; I254-I294 HydrophobicContact CG2-CD1 4.41Å; I254-I294 HydrophobicContact CG2-CG1 3.58Å
255	K	80.6	Confident	77.3	Confident	73 Å²	73	70.4 Å²	70.4	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-55	-37.4	-179.9	174.2	172.8	-172.8	83.2	0	112.9	E251 C252 R259 F293 E297	E251-K255 WeakPolarHBondContact O-CB 3.48Å; E251-K255 PolarHBondContact O-N 3.41Å; C252-K255 PolarHBondContact O-N 3.33Å; K255-R259 WeakPolarHBondContact O-CB 3.3Å; K255-R259 PolarHBondContact O-N 2.87Å; K255-F293 HydrophobicContact CB-CE1 4.44Å; K255-F293 HydrophobicContact CB-CZ 4.36Å; K255-E297 HydrophobicContact CB-CG 4.08Å; K255-E297 HydrophobicContact CG-CG 3.98Å; K255-E297 WeakPolarHBondContact CG-OE1 3.45Å; K255-E297 IonicContact NZ-OE1 3.78Å; K255-E297 PolarHBondContact NZ-OE1 2.74Å; K255-E297 IonicContact NZ-OE2 3.12Å; K255-E297 PolarHBondContact NZ-OE2 2.69Å
256	S	78.3	Confident	77.2	Confident	78 Å²	78	69.7 Å²	69.7	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-71.6	-49	175.6	-172.6	0	0	0	0	112.5	C252 L253 I254 N260	C252-S256 PolarHBondContact O-N 3.47Å; L253-S256 PolarHBondContact O-N 2.68Å; I254-S256 PolarHBondContact O-N 3.3Å; S256-N260 PolarHBondContact O-N 3.27Å; S256-N260 VanDerWaalsContact O-N 3.1Å
257	K	84.6	Confident	77.3	Confident	69 Å²	69	64.5 Å²	64.5	30%	0.3	31%	0.311	S	S	.	.	H	α-helix	trans	-70	-42.2	-178.1	-74.9	-71.9	-169.4	167.3	0	113.2	L253 I254 R259 N260 I261 L279 M283	L253-K257 HydrophobicContact CD1-CG 4.42Å; L253-K257 PolarHBondContact O-N 2.89Å; I254-K257 PolarHBondContact O-N 2.85Å; I254-K257 VanDerWaalsContact O-N 3.15Å; K257-R259 VanDerWaalsContact C-N 3.33Å; K257-R259 PolarHBondContact O-N 2.74Å; K257-N260 WeakPolarHBondContact O-CB 3.47Å; K257-N260 PolarHBondContact O-N 2.75Å; K257-N260 VanDerWaalsContact O-N 3.13Å; K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 2.75Å; K257-L279 HydrophobicContact CB-CD1 3.58Å; K257-M283 HydrophobicContact CB-CG 4.29Å; K257-M283 HydrophobicContact CB-SD 4.25Å; K257-M283 HydrophobicContact CG-CG 4.12Å; K257-M283 HydrophobicContact CG-SD 4.42Å
258	L	86.3	Confident	76.2	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-45.4	175	178.6	61.7	0	0	0	110.9	I254 N260 I261 M262 I275 L279 I294 E297 M298 I301	I254-L258 WeakPolarHBondContact O-CB 3.2Å; I254-L258 PolarHBondContact O-N 3.03Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.81Å; L258-I261 PolarHBondContact O-N 2.92Å; L258-M262 HydrophobicContact CD1-CG 4.17Å; L258-M262 HydrophobicContact CD1-SD 3.66Å; L258-M262 HydrophobicContact CG-SD 3.74Å; L258-M262 WeakPolarHBondContact O-CB 3.45Å; L258-M262 VanDerWaalsContact O-CG 3.26Å; L258-M262 WeakPolarHBondContact O-CG 3.45Å; L258-M262 PolarHBondContact O-N 3.44Å; L258-I275 HydrophobicContact CD1-CG2 3.5Å; L258-I275 VanDerWaalsContact CD1-CG2 3.5Å; L258-L279 HydrophobicContact CB-CD1 4.15Å; L258-L279 HydrophobicContact CB-CD2 4.33Å; L258-L279 HydrophobicContact CD1-CD2 4.36Å; L258-I294 HydrophobicContact CD1-CG2 4.17Å; L258-I294 HydrophobicContact CD2-CG2 4Å; L258-E297 HydrophobicContact CD2-CB 4.06Å; L258-E297 HydrophobicContact CD2-CG 4.09Å; L258-M298 HydrophobicContact CD2-CB 4.32Å; L258-I301 HydrophobicContact CB-CD1 4.16Å; L258-I301 HydrophobicContact CD2-CD1 3.83Å; L258-I301 HydrophobicContact CG-CD1 3.71Å
259	R	74.4	Confident	75.9	Confident	68 Å²	68	65.9 Å²	65.9	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-31.7	175.6	-169.7	174.6	-59.9	-109.7	-4.5	112.8	K255 K257 M263 E297 I301	K255-R259 WeakPolarHBondContact O-CB 3.3Å; K255-R259 PolarHBondContact O-N 2.87Å; K257-R259 VanDerWaalsContact C-N 3.33Å; K257-R259 PolarHBondContact O-N 2.74Å; R259-M263 HydrophobicContact CG-CE 4.32Å; R259-M263 WeakPolarHBondContact O-CB 3.38Å; R259-M263 WeakPolarHBondContact O-CG 3.4Å; R259-M263 PolarHBondContact O-N 3.35Å; R259-E297 IonicContact CZ-OE1 2.77Å; R259-E297 IonicContact NH2-OE1 2.75Å; R259-E297 PolarHBondContact NH2-OE1 2.77Å; R259-I301 HydrophobicContact CB-CD1 3.78Å; R259-I301 HydrophobicContact CB-CG1 4.26Å; R259-I301 HydrophobicContact CG-CD1 4.44Å; R259-I301 HydrophobicContact CG-CG1 4.39Å
260	N	78.1	Confident	76	Confident	79 Å²	79	60.2 Å²	60.2	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-68.3	-52.1	174	-171.7	-84.6	0	0	0	111.1	S256 K257 L258 M262 M263 F264	S256-N260 PolarHBondContact O-N 3.27Å; S256-N260 VanDerWaalsContact O-N 3.1Å; K257-N260 WeakPolarHBondContact O-CB 3.47Å; K257-N260 PolarHBondContact O-N 2.75Å; K257-N260 VanDerWaalsContact O-N 3.13Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.81Å; N260-M262 PolarHBondContact O-N 2.81Å; N260-M263 PolarHBondContact O-N 3.39Å; N260-M263 VanDerWaalsContact O-N 3.16Å; N260-F264 VanDerWaalsContact O-CD2 3.3Å; N260-F264 WeakPolarHBondContact O-CD2 3.34Å; N260-F264 PolarHBondContact O-N 2.72Å
261	I	83.8	Confident	75.9	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-55.3	-52.3	178.9	-66.8	164.2	0	0	0	110.6	K257 L258 M263 F264 Q265 I275 E278 L279 H282	K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 2.75Å; L258-I261 PolarHBondContact O-N 2.92Å; I261-M263 PolarHBondContact O-N 3.17Å; I261-M263 VanDerWaalsContact O-N 3.11Å; I261-F264 PolarHBondContact O-N 3.19Å; I261-Q265 WeakPolarHBondContact O-CB 3.31Å; I261-Q265 PolarHBondContact O-N 2.93Å; I261-I275 HydrophobicContact CG2-CG2 4.32Å; I261-E278 HydrophobicContact CD1-CB 4.43Å; I261-E278 HydrophobicContact CD1-CG 4.18Å; I261-E278 HydrophobicContact CG1-CG 4.41Å; I261-E278 HydrophobicContact CG2-CG 4.38Å; I261-L279 HydrophobicContact CD1-CB 3.93Å; I261-L279 HydrophobicContact CD1-CD1 4.01Å; I261-H282 HydrophobicContact CD1-CB 4.36Å
262	M	80.3	Confident	75.6	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-17.1	-177.7	-68	174.5	66.7	0	0	114.9	L258 N260 L267 I275 M298 I301 L302 M305	L258-M262 HydrophobicContact CD1-CG 4.17Å; L258-M262 HydrophobicContact CD1-SD 3.66Å; L258-M262 HydrophobicContact CG-SD 3.74Å; L258-M262 WeakPolarHBondContact O-CB 3.45Å; L258-M262 VanDerWaalsContact O-CG 3.26Å; L258-M262 WeakPolarHBondContact O-CG 3.45Å; L258-M262 PolarHBondContact O-N 3.44Å; N260-M262 PolarHBondContact O-N 2.81Å; M262-L267 HydrophobicContact CB-CD2 4.39Å; M262-I275 HydrophobicContact CG-CD1 4.37Å; M262-I275 HydrophobicContact CG-CG2 4.12Å; M262-M298 HydrophobicContact CE-CB 4.3Å; M262-M298 HydrophobicContact CE-CG 3.59Å; M262-M298 HydrophobicContact SD-CB 4.15Å; M262-M298 HydrophobicContact SD-CG 3.83Å; M262-I301 HydrophobicContact CB-CG2 4.27Å; M262-I301 HydrophobicContact CE-CB 3.99Å; M262-I301 HydrophobicContact CE-CG2 3.53Å; M262-I301 HydrophobicContact SD-CB 4.11Å; M262-I301 HydrophobicContact SD-CD1 4.09Å; M262-I301 HydrophobicContact SD-CG2 3.73Å; M262-L302 HydrophobicContact CE-CD1 4.44Å; M262-L302 HydrophobicContact CE-CD2 3.97Å; M262-L302 HydrophobicContact CE-CG 3.72Å; M262-M305 HydrophobicContact CB-SD 4.18Å; M262-M305 WeakPolarHBondContact O-CE 3.37Å
263	M	68.4	Low	76	Confident	54 Å²	54	64.4 Å²	64.4	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-87.2	-26.7	178.5	-72.1	-75	-165.4	0	0	113.5	R259 N260 I261 M305 I428	R259-M263 HydrophobicContact CG-CE 4.32Å; R259-M263 WeakPolarHBondContact O-CB 3.38Å; R259-M263 WeakPolarHBondContact O-CG 3.4Å; R259-M263 PolarHBondContact O-N 3.35Å; N260-M263 PolarHBondContact O-N 3.39Å; N260-M263 VanDerWaalsContact O-N 3.16Å; I261-M263 PolarHBondContact O-N 3.17Å; I261-M263 VanDerWaalsContact O-N 3.11Å; M263-M305 HydrophobicContact CE-CE 4.46Å; M263-M305 HydrophobicContact CE-CG 3.51Å; M263-M305 HydrophobicContact CE-SD 4.07Å; M263-M305 HydrophobicContact CG-CE 4.47Å; M263-M305 HydrophobicContact CG-SD 4.41Å; M263-M305 HydrophobicContact SD-CE 3.62Å; M263-M305 HydrophobicContact SD-CG 3.95Å; M263-M305 HydrophobicContact SD-SD 3.88Å; M263-I428 HydrophobicContact CE-CG2 3.68Å; M263-I428 HydrophobicContact SD-CB 4.38Å; M263-I428 HydrophobicContact SD-CD1 4.4Å; M263-I428 HydrophobicContact SD-CG2 3.46Å; M263-I428 WeakPolarHBondContact SD-CG2 3.44Å
264	F	67.6	Low	76	Confident	151 Å²	151	64.3 Å²	64.3	66%	0.662	32%	0.32	S	S	*	.	H	α-helix	trans	-103.9	-3	-176.3	-67.7	-66.8	0	0	0	113.8	N260 I261	N260-F264 VanDerWaalsContact O-CD2 3.3Å; N260-F264 WeakPolarHBondContact O-CD2 3.34Å; N260-F264 PolarHBondContact O-N 2.72Å; I261-F264 PolarHBondContact O-N 3.19Å
265	Q	72.6	Confident	75.9	Confident	49 Å²	49	64.7 Å²	64.7	23%	0.229	32%	0.322	C	S	.	.	S	Bend	trans	-113.1	145.2	-172.4	-152	155.1	44.5	0	0	112.1	I261 L267 I270 E278	I261-Q265 WeakPolarHBondContact O-CB 3.31Å; I261-Q265 PolarHBondContact O-N 2.93Å; Q265-L267 PolarHBondContact O-N 2.88Å; Q265-I270 HydrophobicContact CG-CD1 3.79Å; Q265-E278 PolarHBondContact NE2-OE1 3.38Å; Q265-E278 PolarHBondContact NE2-OE2 2.78Å
266	D	65.9	Low	76.2	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	31%	0.313	S	S	.	.			trans	-76.3	93.3	-176	-175.9	38.2	0	0	0	111.7	E268 N269 I270 K393	D266-E268 PolarHBondContact O-N 2.81Å; D266-N269 PolarHBondContact O-N 3.19Å; D266-N269 PolarHBondContact OD2-ND2 2.88Å; D266-I270 PolarHBondContact O-N 3.4Å; D266-K393 IonicContact OD1-NZ 2.77Å; D266-K393 PolarHBondContact OD1-NZ 3.27Å; D266-K393 IonicContact OD2-NZ 2.94Å
267	L	69.9	Low	76.6	Confident	50 Å²	50	63.2 Å²	63.2	26%	0.262	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.9	-175.4	-61.6	178.9	0	0	0	115	M262 Q265 I270 I275 L302 M305 M394	M262-L267 HydrophobicContact CB-CD2 4.39Å; Q265-L267 PolarHBondContact O-N 2.88Å; L267-I270 HydrophobicContact CD2-CG2 4.45Å; L267-I275 HydrophobicContact CD2-CD1 4.45Å; L267-L302 HydrophobicContact CD1-CD2 3.91Å; L267-M305 HydrophobicContact CD1-CE 3.84Å; L267-M394 HydrophobicContact CD1-CE 4.29Å
268	E	52.9	Low	76.7	Confident	117 Å²	117	63.2 Å²	63.2	55%	0.547	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.2	172.1	-70.5	-167.3	136.8	0	0	113.7	D266 K393	D266-E268 PolarHBondContact O-N 2.81Å; E268-K393 VanDerWaalsContact CD-NZ 3.25Å; E268-K393 VanDerWaalsContact OE2-CE 3.23Å; E268-K393 WeakPolarHBondContact OE2-CE 3.18Å; E268-K393 IonicContact OE2-NZ 3.53Å; E268-K393 PolarHBondContact OE2-NZ 3.24Å
269	N	65.6	Low	76.8	Confident	129 Å²	129	63.2 Å²	63.2	69%	0.69	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-13.8	-167.3	-75.7	-63.8	0	0	0	113.9	D266	D266-N269 PolarHBondContact O-N 3.19Å; D266-N269 PolarHBondContact OD2-ND2 2.88Å
270	I	77.2	Confident	77.5	Confident	35 Å²	35	62.5 Å²	62.5	18%	0.179	31%	0.309	C	S	.	.			trans	-97.4	142.5	-179.3	-166.7	169.9	0	0	0	113.3	Q265 D266 L267 E274 I275	Q265-I270 HydrophobicContact CG-CD1 3.79Å; D266-I270 PolarHBondContact O-N 3.4Å; L267-I270 HydrophobicContact CD2-CG2 4.45Å; I270-E274 HydrophobicContact CD1-CB 3.75Å; I270-E274 HydrophobicContact CG1-CB 3.47Å; I270-E274 VanDerWaalsContact CG1-CB 3.47Å; I270-I275 HydrophobicContact CD1-CG1 3.74Å; I270-I275 HydrophobicContact CG1-CG1 4.05Å; I270-I275 HydrophobicContact CG2-CD1 4.1Å; I270-I275 HydrophobicContact CG2-CG1 4.11Å
271	T	77.9	Confident	78	Confident	70 Å²	70	66.1 Å²	66.1	43%	0.429	32%	0.323	S	S	.	.			trans	-87.9	156.3	173	67.5	0	0	0	0	112.7	K273 E274 I275	T271-K273 PolarHBondContact O-N 3.04Å; T271-K273 VanDerWaalsContact O-N 3.07Å; T271-K273 PolarHBondContact OG1-N 3.04Å; T271-E274 VanDerWaalsContact CB-OE2 3.25Å; T271-E274 WeakPolarHBondContact CB-OE2 3.27Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.43Å; T271-E274 PolarHBondContact N-OE2 2.85Å; T271-E274 PolarHBondContact O-N 3.05Å; T271-E274 VanDerWaalsContact OG1-CD 3.3Å; T271-E274 PolarHBondContact OG1-N 3.01Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; T271-E274 PolarHBondContact OG1-OE2 2.89Å; T271-I275 PolarHBondContact O-N 3.3Å
272	S	79.1	Confident	78.1	Confident	29 Å²	29	70.3 Å²	70.3	20%	0.203	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-18	169.9	65.8	0	0	0	0	113.4	R276	S272-R276 WeakPolarHBondContact O-CB 3.42Å; S272-R276 WeakPolarHBondContact O-CG 3.39Å; S272-R276 PolarHBondContact O-N 2.87Å; S272-R276 PolarHBondContact O-NE 3.35Å; S272-R276 PolarHBondContact OG-NH2 2.87Å
273	K	81.8	Confident	78.2	Confident	141 Å²	141	71.8 Å²	71.8	61%	0.613	35%	0.35	S	S	*	.	H	α-helix	trans	-75.3	-42.7	172.5	-175.1	-178.6	178.2	-175.5	0	111.2	T271 R276 N277	T271-K273 PolarHBondContact O-N 3.04Å; T271-K273 VanDerWaalsContact O-N 3.07Å; T271-K273 PolarHBondContact OG1-N 3.04Å; K273-R276 PolarHBondContact O-N 3.33Å; K273-N277 PolarHBondContact O-N 3.12Å; K273-N277 PolarHBondContact O-ND2 2.98Å; K273-N277 PolarHBondContact O-OD1 3.14Å
274	E	83.6	Confident	78.9	Confident	90 Å²	90	74.8 Å²	74.8	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-43	177.5	-73.1	148	149.8	0	0	111.4	I270 T271 R276 N277 E278	I270-E274 HydrophobicContact CD1-CB 3.75Å; I270-E274 HydrophobicContact CG1-CB 3.47Å; I270-E274 VanDerWaalsContact CG1-CB 3.47Å; T271-E274 VanDerWaalsContact CB-OE2 3.25Å; T271-E274 WeakPolarHBondContact CB-OE2 3.27Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.43Å; T271-E274 PolarHBondContact N-OE2 2.85Å; T271-E274 PolarHBondContact O-N 3.05Å; T271-E274 VanDerWaalsContact OG1-CD 3.3Å; T271-E274 PolarHBondContact OG1-N 3.01Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; T271-E274 PolarHBondContact OG1-OE2 2.89Å; E274-R276 PolarHBondContact O-N 2.85Å; E274-N277 PolarHBondContact O-N 3.38Å; E274-N277 VanDerWaalsContact O-N 3.16Å; E274-E278 WeakPolarHBondContact O-CB 3.03Å; E274-E278 PolarHBondContact O-N 2.91Å
275	I	85.5	Confident	79.4	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-55	-41.6	171.2	-62.5	170.8	0	0	0	110.8	L258 I261 M262 L267 I270 T271 L279 M298	L258-I275 HydrophobicContact CD1-CG2 3.5Å; L258-I275 VanDerWaalsContact CD1-CG2 3.5Å; I261-I275 HydrophobicContact CG2-CG2 4.32Å; M262-I275 HydrophobicContact CG-CD1 4.37Å; M262-I275 HydrophobicContact CG-CG2 4.12Å; L267-I275 HydrophobicContact CD2-CD1 4.45Å; I270-I275 HydrophobicContact CD1-CG1 3.74Å; I270-I275 HydrophobicContact CG1-CG1 4.05Å; I270-I275 HydrophobicContact CG2-CD1 4.1Å; I270-I275 HydrophobicContact CG2-CG1 4.11Å; T271-I275 PolarHBondContact O-N 3.3Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 2.9Å; I275-M298 HydrophobicContact CD1-SD 4.23Å
276	R	86.8	Confident	79.8	Confident	39 Å²	39	72 Å²	72	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-70.9	-40.5	177	-81.8	179	-69.4	-164.4	-6.3	113.6	S272 K273 E274 E278 L279 E280 K291 I294 D295	S272-R276 WeakPolarHBondContact O-CB 3.42Å; S272-R276 WeakPolarHBondContact O-CG 3.39Å; S272-R276 PolarHBondContact O-N 2.87Å; S272-R276 PolarHBondContact O-NE 3.35Å; S272-R276 PolarHBondContact OG-NH2 2.87Å; K273-R276 PolarHBondContact O-N 3.33Å; E274-R276 PolarHBondContact O-N 2.85Å; R276-E278 VanDerWaalsContact C-N 3.33Å; R276-L279 PolarHBondContact O-N 2.89Å; R276-E280 WeakPolarHBondContact O-CG 3Å; R276-E280 PolarHBondContact O-N 3.21Å; R276-K291 VanDerWaalsContact NH1-CG 3.29Å; R276-I294 HydrophobicContact CG-CG2 3.64Å; R276-D295 IonicContact CZ-OD1 2.72Å; R276-D295 IonicContact CZ-OD2 2.8Å; R276-D295 IonicContact NE-OD1 3.63Å; R276-D295 PolarHBondContact NE-OD1 3.11Å; R276-D295 IonicContact NH1-OD1 2.89Å; R276-D295 PolarHBondContact NH1-OD1 3.01Å; R276-D295 IonicContact NH1-OD2 2.62Å; R276-D295 PolarHBondContact NH1-OD2 2.68Å; R276-D295 IonicContact NH2-OD1 3.98Å; R276-D295 IonicContact NH2-OD2 3.48Å
277	N	86.4	Confident	80.7	Confident	81 Å²	81	69.2 Å²	69.2	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44.8	174.5	-64.9	-19	0	0	0	110.6	K273 E274 E280 Q281	K273-N277 PolarHBondContact O-N 3.12Å; K273-N277 PolarHBondContact O-ND2 2.98Å; K273-N277 PolarHBondContact O-OD1 3.14Å; E274-N277 PolarHBondContact O-N 3.38Å; E274-N277 VanDerWaalsContact O-N 3.16Å; N277-E280 PolarHBondContact O-N 3.07Å; N277-Q281 WeakPolarHBondContact O-CB 3.1Å; N277-Q281 PolarHBondContact O-N 3.21Å
278	E	85.9	Confident	81.2	Confident	69 Å²	69	74.2 Å²	74.2	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-38.3	178.8	-169.2	164.8	137.4	0	0	111	I261 Q265 E274 R276 Q281 H282	I261-E278 HydrophobicContact CD1-CB 4.43Å; I261-E278 HydrophobicContact CD1-CG 4.18Å; I261-E278 HydrophobicContact CG1-CG 4.41Å; I261-E278 HydrophobicContact CG2-CG 4.38Å; Q265-E278 PolarHBondContact NE2-OE1 3.38Å; Q265-E278 PolarHBondContact NE2-OE2 2.78Å; E274-E278 WeakPolarHBondContact O-CB 3.03Å; E274-E278 PolarHBondContact O-N 2.91Å; R276-E278 VanDerWaalsContact C-N 3.33Å; E278-Q281 CarbonylContact O-C 3.5Å; E278-Q281 WeakPolarHBondContact O-CB 3.4Å; E278-Q281 PolarHBondContact O-N 2.95Å; E278-H282 WeakPolarHBondContact O-CB 3.26Å; E278-H282 PolarHBondContact O-N 2.82Å
279	L	89.8	Confident	82.5	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-45.6	172.5	-176.9	70.6	0	0	0	112.8	I254 K257 L258 I261 I275 R276 Q281 H282 M283 L287 I294	I254-L279 HydrophobicContact CG2-CD2 4.1Å; K257-L279 HydrophobicContact CB-CD1 3.58Å; L258-L279 HydrophobicContact CB-CD1 4.15Å; L258-L279 HydrophobicContact CB-CD2 4.33Å; L258-L279 HydrophobicContact CD1-CD2 4.36Å; I261-L279 HydrophobicContact CD1-CB 3.93Å; I261-L279 HydrophobicContact CD1-CD1 4.01Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 3.45Å; I275-L279 PolarHBondContact O-N 2.9Å; R276-L279 PolarHBondContact O-N 2.89Å; L279-Q281 VanDerWaalsContact C-N 3.27Å; L279-Q281 PolarHBondContact O-N 2.84Å; L279-H282 PolarHBondContact O-N 3.17Å; L279-M283 HydrophobicContact CD1-CG 4.25Å; L279-M283 HydrophobicContact CD1-SD 3.85Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CB 3.29Å; L279-M283 WeakPolarHBondContact O-CG 3.23Å; L279-M283 PolarHBondContact O-N 3.44Å; L279-L287 HydrophobicContact CB-CD1 4.4Å; L279-L287 HydrophobicContact CD2-CD1 3.72Å; L279-L287 HydrophobicContact CG-CD1 3.61Å; L279-I294 HydrophobicContact CD2-CD1 3.67Å; L279-I294 HydrophobicContact CD2-CG1 3.78Å; L279-I294 HydrophobicContact CD2-CG2 4.07Å
280	E	89.6	Confident	83.4	Confident	53 Å²	53	70 Å²	70	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-39.4	173.3	-75.4	-164.6	148.1	0	0	111	R276 N277 S284 C285 N286 L287	R276-E280 WeakPolarHBondContact O-CG 3Å; R276-E280 PolarHBondContact O-N 3.21Å; N277-E280 PolarHBondContact O-N 3.07Å; E280-S284 WeakPolarHBondContact O-CA 3.21Å; E280-S284 PolarHBondContact O-N 3.18Å; E280-C285 PolarHBondContact O-N 3.46Å; E280-N286 PolarHBondContact OE1-ND2 3.13Å; E280-N286 PolarHBondContact OE2-ND2 3.2Å; E280-L287 HydrophobicContact CG-CB 3.85Å; E280-L287 HydrophobicContact CG-CD1 3.95Å; E280-L287 HydrophobicContact CG-CG 3.92Å; E280-L287 PolarHBondContact OE1-N 3.4Å
281	Q	88.1	Confident	83.5	Confident	154 Å²	154	72.3 Å²	72.3	72%	0.72	36%	0.362	S	S	*	.	H	α-helix	trans	-66.8	-43.1	174.6	-178.4	175.8	-16.4	0	0	112.4	N277 E278 L279 M283 S284	N277-Q281 WeakPolarHBondContact O-CB 3.1Å; N277-Q281 PolarHBondContact O-N 3.21Å; E278-Q281 CarbonylContact O-C 3.5Å; E278-Q281 WeakPolarHBondContact O-CB 3.4Å; E278-Q281 PolarHBondContact O-N 2.95Å; L279-Q281 VanDerWaalsContact C-N 3.27Å; L279-Q281 PolarHBondContact O-N 2.84Å; Q281-M283 VanDerWaalsContact C-N 3.28Å; Q281-M283 PolarHBondContact O-N 2.89Å; Q281-S284 PolarHBondContact O-N 3.39Å
282	H	84.5	Confident	83.6	Confident	93 Å²	93	75.4 Å²	75.4	43%	0.431	37%	0.372	S	S	.	.	H	α-helix	trans	-75.6	-15.7	-178.3	-125.5	-177.2	0	0	0	113.9	I261 E278 L279	I261-H282 HydrophobicContact CD1-CB 4.36Å; E278-H282 WeakPolarHBondContact O-CB 3.26Å; E278-H282 PolarHBondContact O-N 2.82Å; L279-H282 PolarHBondContact O-N 3.17Å
283	M	83.8	Confident	83.7	Confident	32 Å²	32	76.3 Å²	76.3	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-106.2	-8.5	174.8	-64.2	-169.3	57.1	0	0	113.4	L253 I254 K257 L279 Q281 C285 L287	L253-M283 HydrophobicContact CB-CE 4.14Å; L253-M283 HydrophobicContact CD2-CE 3.77Å; L253-M283 HydrophobicContact CG-CE 3.72Å; I254-M283 HydrophobicContact CB-SD 4.33Å; I254-M283 HydrophobicContact CG1-CE 3.75Å; I254-M283 HydrophobicContact CG1-SD 3.66Å; K257-M283 HydrophobicContact CB-CG 4.29Å; K257-M283 HydrophobicContact CB-SD 4.25Å; K257-M283 HydrophobicContact CG-CG 4.12Å; K257-M283 HydrophobicContact CG-SD 4.42Å; L279-M283 HydrophobicContact CD1-CG 4.25Å; L279-M283 HydrophobicContact CD1-SD 3.85Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CB 3.29Å; L279-M283 WeakPolarHBondContact O-CG 3.23Å; L279-M283 PolarHBondContact O-N 3.44Å; Q281-M283 VanDerWaalsContact C-N 3.28Å; Q281-M283 PolarHBondContact O-N 2.89Å; M283-C285 PolarHBondContact O-N 2.92Å; M283-C285 VanDerWaalsContact O-N 3.15Å; M283-L287 HydrophobicContact CE-CD2 4.46Å; M283-L287 HydrophobicContact SD-CD1 4.07Å
284	S	82.3	Confident	83.9	Confident	117 Å²	117	69.8 Å²	69.8	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	28.6	-179	-61.4	0	0	0	0	114.3	E280 Q281	E280-S284 WeakPolarHBondContact O-CA 3.21Å; E280-S284 PolarHBondContact O-N 3.18Å; Q281-S284 PolarHBondContact O-N 3.39Å
285	C	79.3	Confident	83.8	Confident	55 Å²	55	66.8 Å²	66.8	37%	0.372	33%	0.331	S	S	.	.	S	Bend	trans	-140.2	161.5	-177.5	67.7	0	0	0	0	111	E280 M283 L287	E280-C285 PolarHBondContact O-N 3.46Å; M283-C285 PolarHBondContact O-N 2.92Å; M283-C285 VanDerWaalsContact O-N 3.15Å; C285-L287 VanDerWaalsContact SG-CD2 3.54Å
286	N	81.2	Confident	83.2	Confident	87 Å²	87	70.4 Å²	70.4	47%	0.465	35%	0.35	S	S	.	.			trans	-89.5	128.7	176.6	-168.2	-113.6	0	0	0	110.6	E280 K288	E280-N286 PolarHBondContact OE1-ND2 3.13Å; E280-N286 PolarHBondContact OE2-ND2 3.2Å; N286-K288 WeakPolarHBondContact OD1-CD 3.42Å; N286-K288 WeakPolarHBondContact OD1-CE 3.12Å; N286-K288 WeakPolarHBondContact OD1-CG 3.47Å
287	L	83.5	Confident	82.9	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	35%	0.345	C	S	.	.			trans	-112.4	17	-168.4	-63.7	175.6	0	0	0	113.1	I254 L279 E280 M283 C285 E289 Y290 K291 I294	I254-L287 HydrophobicContact CD1-CD2 3.83Å; I254-L287 HydrophobicContact CG1-CD2 4.07Å; L279-L287 HydrophobicContact CB-CD1 4.4Å; L279-L287 HydrophobicContact CD2-CD1 3.72Å; L279-L287 HydrophobicContact CG-CD1 3.61Å; E280-L287 HydrophobicContact CG-CB 3.85Å; E280-L287 HydrophobicContact CG-CD1 3.95Å; E280-L287 HydrophobicContact CG-CG 3.92Å; E280-L287 PolarHBondContact OE1-N 3.4Å; M283-L287 HydrophobicContact CE-CD2 4.46Å; M283-L287 HydrophobicContact SD-CD1 4.07Å; C285-L287 VanDerWaalsContact SG-CD2 3.54Å; L287-E289 VanDerWaalsContact C-N 3.27Å; L287-E289 PolarHBondContact O-N 3Å; L287-Y290 HydrophobicContact CD2-CD2 3.92Å; L287-Y290 CarbonylContact O-C 3.45Å; L287-Y290 WeakPolarHBondContact O-CA 3.26Å; L287-Y290 PolarHBondContact O-N 2.98Å; L287-K291 PolarHBondContact O-N 3.22Å; L287-I294 HydrophobicContact CB-CD1 3.77Å; L287-I294 HydrophobicContact CD1-CD1 4.09Å; L287-I294 HydrophobicContact CG-CD1 4.49Å
288	K	80.3	Confident	82.5	Confident	155 Å²	155	65.8 Å²	65.8	67%	0.674	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.6	-36.5	-178.5	-71.5	173.2	-165.6	154.6	0	113.7	N286 Y290 K291	N286-K288 WeakPolarHBondContact OD1-CD 3.42Å; N286-K288 WeakPolarHBondContact OD1-CE 3.12Å; N286-K288 WeakPolarHBondContact OD1-CG 3.47Å; K288-Y290 VanDerWaalsContact C-N 3.27Å; K288-Y290 PolarHBondContact O-N 2.99Å; K288-K291 VanDerWaalsContact O-CB 3.27Å; K288-K291 WeakPolarHBondContact O-CB 3.39Å; K288-K291 PolarHBondContact O-N 3.48Å
289	E	81.1	Confident	81.5	Confident	140 Å²	140	65 Å²	65	65%	0.654	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-73.4	-18.8	176.5	68.6	-179.6	-157.4	0	0	113.4	L287	L287-E289 VanDerWaalsContact C-N 3.27Å; L287-E289 PolarHBondContact O-N 3Å
290	Y	84.1	Confident	80.1	Confident	18 Å²	18	69.3 Å²	69.3	7%	0.071	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-97.2	6.8	174.2	-57.9	-81.1	0	0	0	112.6	R247 T250 E251 I254 L287 K288 E292 F293 I294	R247-Y290 HydrophobicContact CG-CE1 3.9Å; T250-Y290 HydrophobicContact CG2-CD2 4.29Å; T250-Y290 HydrophobicContact CG2-CE1 4.03Å; T250-Y290 HydrophobicContact CG2-CE2 3.72Å; E251-Y290 HydrophobicContact CG-CD1 3.67Å; E251-Y290 HydrophobicContact CG-CE1 3.77Å; I254-Y290 HydrophobicContact CD1-CD1 3.64Å; I254-Y290 HydrophobicContact CD1-CD2 3.83Å; I254-Y290 HydrophobicContact CD1-CE1 4.41Å; I254-Y290 HydrophobicContact CD1-CG 3.34Å; L287-Y290 HydrophobicContact CD2-CD2 3.92Å; L287-Y290 CarbonylContact O-C 3.45Å; L287-Y290 WeakPolarHBondContact O-CA 3.26Å; L287-Y290 PolarHBondContact O-N 2.98Å; K288-Y290 VanDerWaalsContact C-N 3.27Å; K288-Y290 PolarHBondContact O-N 2.99Å; Y290-E292 VanDerWaalsContact C-N 3.32Å; Y290-E292 PolarHBondContact O-N 2.78Å; Y290-F293 CarbonylContact O-C 3.55Å; Y290-F293 WeakPolarHBondContact O-CA 3.43Å; Y290-F293 WeakPolarHBondContact O-CB 3.22Å; Y290-F293 PolarHBondContact O-N 3.27Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 2.76Å
291	K	79.6	Confident	79.2	Confident	82 Å²	82	66.8 Å²	66.8	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-53.3	-47.2	-174.8	-173.7	-165.4	179	-163.2	0	112.5	G154 R276 L287 K288 I294 D295	G154-K291 WeakPolarHBondContact O-CE 3.24Å; G154-K291 PolarHBondContact O-NZ 3.3Å; R276-K291 VanDerWaalsContact NH1-CG 3.29Å; L287-K291 PolarHBondContact O-N 3.22Å; K288-K291 VanDerWaalsContact O-CB 3.27Å; K288-K291 WeakPolarHBondContact O-CB 3.39Å; K288-K291 PolarHBondContact O-N 3.48Å; K291-I294 PolarHBondContact O-N 2.55Å; K291-D295 WeakPolarHBondContact O-CB 3.18Å; K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.7Å
292	E	79.2	Confident	78.1	Confident	136 Å²	136	62.8 Å²	62.8	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-66.4	-38.3	176.2	-65.6	177.8	-178.6	0	0	112.4	Y290 D295 N296	Y290-E292 VanDerWaalsContact C-N 3.32Å; Y290-E292 PolarHBondContact O-N 2.78Å; E292-D295 PolarHBondContact O-N 2.9Å; E292-N296 VanDerWaalsContact O-CB 3.29Å; E292-N296 WeakPolarHBondContact O-CB 3.35Å; E292-N296 PolarHBondContact O-N 3.35Å; E292-N296 PolarHBondContact O-ND2 2.94Å
293	F	82.2	Confident	76.8	Confident	48 Å²	48	61.1 Å²	61.1	21%	0.211	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-41.3	175.8	177.3	-90.5	0	0	0	111.1	E251 I254 K255 Y290 E297	E251-F293 HydrophobicContact CB-CD1 4.2Å; E251-F293 HydrophobicContact CB-CD2 4.21Å; E251-F293 HydrophobicContact CB-CE1 3.78Å; E251-F293 HydrophobicContact CB-CE2 3.79Å; E251-F293 HydrophobicContact CB-CG 4.41Å; E251-F293 HydrophobicContact CB-CZ 3.57Å; E251-F293 HydrophobicContact CG-CD1 3.92Å; E251-F293 HydrophobicContact CG-CD2 3.81Å; E251-F293 HydrophobicContact CG-CE1 4.04Å; E251-F293 HydrophobicContact CG-CE2 3.93Å; E251-F293 HydrophobicContact CG-CG 3.82Å; E251-F293 HydrophobicContact CG-CZ 4.06Å; E251-F293 WeakPolarHBondContact O-CE1 3.41Å; E251-F293 WeakPolarHBondContact O-CZ 3.22Å; I254-F293 HydrophobicContact CB-CD1 4.42Å; I254-F293 HydrophobicContact CB-CE1 4.12Å; I254-F293 HydrophobicContact CG2-CD1 3.82Å; I254-F293 HydrophobicContact CG2-CE1 3.73Å; K255-F293 HydrophobicContact CB-CE1 4.44Å; K255-F293 HydrophobicContact CB-CZ 4.36Å; Y290-F293 CarbonylContact O-C 3.55Å; Y290-F293 WeakPolarHBondContact O-CA 3.43Å; Y290-F293 WeakPolarHBondContact O-CB 3.22Å; Y290-F293 PolarHBondContact O-N 3.27Å; F293-E297 HydrophobicContact CE1-CB 4.2Å; F293-E297 HydrophobicContact CE1-CG 4.49Å; F293-E297 HydrophobicContact CZ-CB 4.36Å; F293-E297 WeakPolarHBondContact O-CB 3.43Å; F293-E297 PolarHBondContact O-N 2.95Å
294	I	86	Confident	75.1	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-43.9	176.2	-67.7	158.7	0	0	0	110.6	I254 L258 R276 L279 L287 Y290 K291 E297 M298	I254-I294 HydrophobicContact CG2-CD1 4.41Å; I254-I294 HydrophobicContact CG2-CG1 3.58Å; L258-I294 HydrophobicContact CD1-CG2 4.17Å; L258-I294 HydrophobicContact CD2-CG2 4Å; R276-I294 HydrophobicContact CG-CG2 3.64Å; L279-I294 HydrophobicContact CD2-CD1 3.67Å; L279-I294 HydrophobicContact CD2-CG1 3.78Å; L279-I294 HydrophobicContact CD2-CG2 4.07Å; L287-I294 HydrophobicContact CB-CD1 3.77Å; L287-I294 HydrophobicContact CD1-CD1 4.09Å; L287-I294 HydrophobicContact CG-CD1 4.49Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 2.76Å; K291-I294 PolarHBondContact O-N 2.55Å; I294-E297 PolarHBondContact O-N 2.97Å; I294-M298 WeakPolarHBondContact O-CA 3.4Å; I294-M298 WeakPolarHBondContact O-CB 3.39Å; I294-M298 PolarHBondContact O-N 2.78Å
295	D	80.9	Confident	73.9	Confident	27 Å²	27	60 Å²	60	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-38.5	-179.3	-69.5	-8	0	0	0	111.5	R276 K291 E292 L299	R276-D295 IonicContact CZ-OD1 2.72Å; R276-D295 IonicContact CZ-OD2 2.8Å; R276-D295 IonicContact NE-OD1 3.63Å; R276-D295 PolarHBondContact NE-OD1 3.11Å; R276-D295 IonicContact NH1-OD1 2.89Å; R276-D295 PolarHBondContact NH1-OD1 3.01Å; R276-D295 IonicContact NH1-OD2 2.62Å; R276-D295 PolarHBondContact NH1-OD2 2.68Å; R276-D295 IonicContact NH2-OD1 3.98Å; R276-D295 IonicContact NH2-OD2 3.48Å; K291-D295 WeakPolarHBondContact O-CB 3.18Å; K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.7Å; E292-D295 PolarHBondContact O-N 2.9Å; D295-L299 WeakPolarHBondContact O-CG 3.44Å; D295-L299 PolarHBondContact O-N 2.97Å; D295-L299 VanDerWaalsContact O-N 3.09Å
296	N	73.7	Confident	73.3	Confident	84 Å²	84	58.8 Å²	58.8	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-68.9	-44.5	172.6	-77.7	-64.3	0	0	0	112.6	E292 M298 L299 L300	E292-N296 VanDerWaalsContact O-CB 3.29Å; E292-N296 WeakPolarHBondContact O-CB 3.35Å; E292-N296 PolarHBondContact O-N 3.35Å; E292-N296 PolarHBondContact O-ND2 2.94Å; N296-M298 VanDerWaalsContact C-N 3.31Å; N296-M298 PolarHBondContact O-N 3.44Å; N296-L299 PolarHBondContact O-N 3.28Å; N296-L300 WeakPolarHBondContact O-CB 3.12Å; N296-L300 WeakPolarHBondContact O-CG 3.33Å; N296-L300 PolarHBondContact O-N 2.79Å
297	E	79.8	Confident	73	Confident	7 Å²	7	62 Å²	62	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-70	-29.6	177.6	-175.2	60.1	-149.3	0	0	111.2	K255 L258 R259 F293 I294 L300 I301	K255-E297 HydrophobicContact CB-CG 4.08Å; K255-E297 HydrophobicContact CG-CG 3.98Å; K255-E297 WeakPolarHBondContact CG-OE1 3.45Å; K255-E297 IonicContact NZ-OE1 3.78Å; K255-E297 PolarHBondContact NZ-OE1 2.74Å; K255-E297 IonicContact NZ-OE2 3.12Å; K255-E297 PolarHBondContact NZ-OE2 2.69Å; L258-E297 HydrophobicContact CD2-CB 4.06Å; L258-E297 HydrophobicContact CD2-CG 4.09Å; R259-E297 IonicContact CZ-OE1 2.77Å; R259-E297 IonicContact NH2-OE1 2.75Å; R259-E297 PolarHBondContact NH2-OE1 2.77Å; F293-E297 HydrophobicContact CE1-CB 4.2Å; F293-E297 HydrophobicContact CE1-CG 4.49Å; F293-E297 HydrophobicContact CZ-CB 4.36Å; F293-E297 WeakPolarHBondContact O-CB 3.43Å; F293-E297 PolarHBondContact O-N 2.95Å; I294-E297 PolarHBondContact O-N 2.97Å; E297-L300 PolarHBondContact O-N 2.82Å; E297-I301 HydrophobicContact CG-CD1 3.78Å; E297-I301 HydrophobicContact CG-CG1 4.21Å; E297-I301 WeakPolarHBondContact O-CA 3.48Å; E297-I301 WeakPolarHBondContact O-CB 3.46Å; E297-I301 WeakPolarHBondContact O-CD1 3.33Å; E297-I301 WeakPolarHBondContact O-CG1 3.19Å; E297-I301 PolarHBondContact O-N 2.86Å; E297-I301 WeakPolarHBondContact OE1-CG1 3.48Å
298	M	78.5	Confident	73.2	Confident	17 Å²	17	62.6 Å²	62.6	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-45.2	169.1	177.6	-178.2	65.3	0	0	110.7	L258 M262 I275 I294 N296 I301 L302	L258-M298 HydrophobicContact CD2-CB 4.32Å; M262-M298 HydrophobicContact CE-CB 4.3Å; M262-M298 HydrophobicContact CE-CG 3.59Å; M262-M298 HydrophobicContact SD-CB 4.15Å; M262-M298 HydrophobicContact SD-CG 3.83Å; I275-M298 HydrophobicContact CD1-SD 4.23Å; I294-M298 WeakPolarHBondContact O-CA 3.4Å; I294-M298 WeakPolarHBondContact O-CB 3.39Å; I294-M298 PolarHBondContact O-N 2.78Å; N296-M298 VanDerWaalsContact C-N 3.31Å; N296-M298 PolarHBondContact O-N 3.44Å; M298-I301 PolarHBondContact O-N 3.36Å; M298-L302 HydrophobicContact CG-CD1 4.37Å; M298-L302 WeakPolarHBondContact O-CB 3.3Å; M298-L302 VanDerWaalsContact O-CG 3.29Å; M298-L302 WeakPolarHBondContact O-CG 3.39Å; M298-L302 PolarHBondContact O-N 3.32Å
299	L	63.9	Low	73.8	Confident	51 Å²	51	56.6 Å²	56.6	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-39.6	174.4	-72	170.4	0	0	0	112.5	L152 D295 N296 L302 G303	L152-L299 HydrophobicContact CD1-CD1 3.52Å; D295-L299 WeakPolarHBondContact O-CG 3.44Å; D295-L299 PolarHBondContact O-N 2.97Å; D295-L299 VanDerWaalsContact O-N 3.09Å; N296-L299 PolarHBondContact O-N 3.28Å; L299-L302 PolarHBondContact O-N 2.88Å; L299-G303 PolarHBondContact O-N 2.97Å
300	L	61	Low	74.5	Confident	91 Å²	91	52.8 Å²	52.8	48%	0.476	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-37.4	174.1	-72.2	168.7	0	0	0	112	N296 E297 Q304	N296-L300 WeakPolarHBondContact O-CB 3.12Å; N296-L300 WeakPolarHBondContact O-CG 3.33Å; N296-L300 PolarHBondContact O-N 2.79Å; E297-L300 PolarHBondContact O-N 2.82Å; L300-Q304 WeakPolarHBondContact O-CB 3.21Å; L300-Q304 WeakPolarHBondContact O-CG 3.32Å; L300-Q304 PolarHBondContact O-N 3.15Å; L300-Q304 PolarHBondContact O-NE2 3.29Å
301	I	69.4	Low	75.1	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-51.1	173.2	-76.7	162.5	0	0	0	108.9	L258 R259 M262 E297 M298 G303 Q304 M305	L258-I301 HydrophobicContact CB-CD1 4.16Å; L258-I301 HydrophobicContact CD2-CD1 3.83Å; L258-I301 HydrophobicContact CG-CD1 3.71Å; R259-I301 HydrophobicContact CB-CD1 3.78Å; R259-I301 HydrophobicContact CB-CG1 4.26Å; R259-I301 HydrophobicContact CG-CD1 4.44Å; R259-I301 HydrophobicContact CG-CG1 4.39Å; M262-I301 HydrophobicContact CB-CG2 4.27Å; M262-I301 HydrophobicContact CE-CB 3.99Å; M262-I301 HydrophobicContact CE-CG2 3.53Å; M262-I301 HydrophobicContact SD-CB 4.11Å; M262-I301 HydrophobicContact SD-CD1 4.09Å; M262-I301 HydrophobicContact SD-CG2 3.73Å; E297-I301 HydrophobicContact CG-CD1 3.78Å; E297-I301 HydrophobicContact CG-CG1 4.21Å; E297-I301 WeakPolarHBondContact O-CA 3.48Å; E297-I301 WeakPolarHBondContact O-CB 3.46Å; E297-I301 WeakPolarHBondContact O-CD1 3.33Å; E297-I301 WeakPolarHBondContact O-CG1 3.19Å; E297-I301 PolarHBondContact O-N 2.86Å; E297-I301 WeakPolarHBondContact OE1-CG1 3.48Å; M298-I301 PolarHBondContact O-N 3.36Å; I301-G303 PolarHBondContact O-N 2.83Å; I301-Q304 CarbonylContact O-C 3.52Å; I301-Q304 PolarHBondContact O-N 2.97Å; I301-Q304 VanDerWaalsContact O-N 3.08Å; I301-M305 HydrophobicContact CG2-CG 3.77Å; I301-M305 HydrophobicContact CG2-SD 3.37Å; I301-M305 WeakPolarHBondContact CG2-SD 3.2Å; I301-M305 WeakPolarHBondContact O-CA 3.44Å; I301-M305 WeakPolarHBondContact O-CB 3.2Å; I301-M305 VanDerWaalsContact O-CG 3.23Å; I301-M305 WeakPolarHBondContact O-CG 3.14Å; I301-M305 PolarHBondContact O-N 2.71Å
302	L	66.5	Low	75.9	Confident	70 Å²	70	48.6 Å²	48.6	37%	0.366	26%	0.257	S	S	.	.	H	α-helix	trans	-55.5	-48.4	176	-72.6	167.5	0	0	0	111.9	M262 L267 M298 L299 Q304 M305	M262-L302 HydrophobicContact CE-CD1 4.44Å; M262-L302 HydrophobicContact CE-CD2 3.97Å; M262-L302 HydrophobicContact CE-CG 3.72Å; L267-L302 HydrophobicContact CD1-CD2 3.91Å; M298-L302 HydrophobicContact CG-CD1 4.37Å; M298-L302 WeakPolarHBondContact O-CB 3.3Å; M298-L302 VanDerWaalsContact O-CG 3.29Å; M298-L302 WeakPolarHBondContact O-CG 3.39Å; M298-L302 PolarHBondContact O-N 3.32Å; L299-L302 PolarHBondContact O-N 2.88Å; L302-Q304 VanDerWaalsContact C-N 3.26Å; L302-Q304 PolarHBondContact O-N 3.4Å; L302-M305 PolarHBondContact O-N 3.43Å
303	G	55.9	Low	76.7	Confident	58 Å²	58	48.6 Å²	48.6	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-70.3	-14.8	177.9	0	0	0	0	0	115.3	L299 I301	L299-G303 PolarHBondContact O-N 2.97Å; I301-G303 PolarHBondContact O-N 2.83Å
304	Q	49.7	Very low	77.4	Confident	99 Å²	99	47.2 Å²	47.2	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-98	-21.6	171.1	-71.9	162.8	22.1	0	0	112.7	L300 I301 L302 D306	L300-Q304 WeakPolarHBondContact O-CB 3.21Å; L300-Q304 WeakPolarHBondContact O-CG 3.32Å; L300-Q304 PolarHBondContact O-N 3.15Å; L300-Q304 PolarHBondContact O-NE2 3.29Å; I301-Q304 CarbonylContact O-C 3.52Å; I301-Q304 PolarHBondContact O-N 2.97Å; I301-Q304 VanDerWaalsContact O-N 3.08Å; L302-Q304 VanDerWaalsContact C-N 3.26Å; L302-Q304 PolarHBondContact O-N 3.4Å; Q304-D306 VanDerWaalsContact C-N 3.3Å; Q304-D306 PolarHBondContact O-N 3.41Å
305	M	56.7	Low	77.9	Confident	27 Å²	27	47.1 Å²	47.1	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-22.7	-168.5	-99.3	-177.1	61.7	0	0	113.1	M262 M263 L267 I301 L302	M262-M305 HydrophobicContact CB-SD 4.18Å; M262-M305 WeakPolarHBondContact O-CE 3.37Å; M263-M305 HydrophobicContact CE-CE 4.46Å; M263-M305 HydrophobicContact CE-CG 3.51Å; M263-M305 HydrophobicContact CE-SD 4.07Å; M263-M305 HydrophobicContact CG-CE 4.47Å; M263-M305 HydrophobicContact CG-SD 4.41Å; M263-M305 HydrophobicContact SD-CE 3.62Å; M263-M305 HydrophobicContact SD-CG 3.95Å; M263-M305 HydrophobicContact SD-SD 3.88Å; L267-M305 HydrophobicContact CD1-CE 3.84Å; I301-M305 HydrophobicContact CG2-CG 3.77Å; I301-M305 HydrophobicContact CG2-SD 3.37Å; I301-M305 WeakPolarHBondContact CG2-SD 3.2Å; I301-M305 WeakPolarHBondContact O-CA 3.44Å; I301-M305 WeakPolarHBondContact O-CB 3.2Å; I301-M305 VanDerWaalsContact O-CG 3.23Å; I301-M305 WeakPolarHBondContact O-CG 3.14Å; I301-M305 PolarHBondContact O-N 2.71Å; L302-M305 PolarHBondContact O-N 3.43Å
306	D	65.9	Low	78.7	Confident	30 Å²	30	46.9 Å²	46.9	16%	0.16	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	96.1	162.6	-116.8	-33.2	0	0	0	114.6	Q304 S319 N322 R426	Q304-D306 VanDerWaalsContact C-N 3.3Å; Q304-D306 PolarHBondContact O-N 3.41Å; D306-S319 WeakPolarHBondContact CB-OG 3.33Å; D306-S319 VanDerWaalsContact CG-OG 3.23Å; D306-S319 WeakPolarHBondContact OD2-CB 3.27Å; D306-S319 PolarHBondContact OD2-N 3.32Å; D306-S319 PolarHBondContact OD2-OG 2.93Å; D306-N322 WeakPolarHBondContact CB-OD1 3.33Å; D306-N322 PolarHBondContact O-ND2 3.36Å; D306-N322 PolarHBondContact OD1-OD1 3.32Å; D306-N322 VanDerWaalsContact OD1-OD1 3.07Å; D306-N322 PolarHBondContact OD2-OD1 2.97Å; D306-R426 IonicContact OD1-CZ 2.74Å; D306-R426 VanDerWaalsContact OD1-CZ 3.26Å; D306-R426 IonicContact OD1-NH1 3.26Å; D306-R426 PolarHBondContact OD1-NH1 2.89Å; D306-R426 IonicContact OD1-NH2 3.33Å; D306-R426 PolarHBondContact OD1-NH2 3.49Å; D306-R426 IonicContact OD2-CZ 2.73Å; D306-R426 IonicContact OD2-NH1 3.81Å; D306-R426 IonicContact OD2-NH2 2.73Å; D306-R426 PolarHBondContact OD2-NH2 2.98Å
307	K	74.8	Confident	79.8	Confident	155 Å²	155	42.9 Å²	42.9	67%	0.674	23%	0.23	S	C	*	.	S	Bend	trans	-91.8	141.1	139.1	-71.3	-167.9	175.3	-170.6	0	108.6	T309 E328	K307-T309 PolarHBondContact O-N 3.02Å; K307-T309 VanDerWaalsContact O-N 3.11Å; K307-E328 WeakPolarHBondContact CA-OE1 3.23Å
308	A	88.1	Confident	80.5	Confident	17 Å²	17	42.5 Å²	42.5	14%	0.14	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.6	120.7	179.2	0	0	0	0	0	110	L310 Y316 N322 E328 L389	A308-L310 PolarHBondContact O-N 3.27Å; A308-Y316 HydrophobicContact CB-CD1 3.76Å; A308-Y316 HydrophobicContact CB-CE1 4.46Å; A308-Y316 HydrophobicContact CB-CG 4.19Å; A308-Y316 VanDerWaalsContact O-CD1 3.3Å; A308-Y316 WeakPolarHBondContact O-CD1 3.47Å; A308-N322 HydrophobicContact CB-CB 4.14Å; A308-N322 PolarHBondContact N-ND2 3.11Å; A308-E328 PolarHBondContact N-OE1 3.43Å; A308-E328 VanDerWaalsContact N-OE1 3.11Å; A308-L389 HydrophobicContact CB-CD1 4.18Å
309	T	93.4	Very high	81	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.2	-172.6	-45.8	0	0	0	0	110.4	K307 I311 Y316 L317 K425 R426	K307-T309 PolarHBondContact O-N 3.02Å; K307-T309 VanDerWaalsContact O-N 3.11Å; T309-I311 HydrophobicContact CG2-CD1 3.89Å; T309-I311 PolarHBondContact O-N 2.73Å; T309-I311 VanDerWaalsContact O-N 3.09Å; T309-Y316 CarbonylContact O-C 3.51Å; T309-Y316 WeakPolarHBondContact O-CA 3.25Å; T309-L317 PolarHBondContact N-O 2.92Å; T309-L317 PolarHBondContact O-N 3.1Å; T309-K425 HydrophobicContact CG2-CB 4.31Å; T309-K425 WeakPolarHBondContact CG2-O 3.49Å; T309-R426 HydrophobicContact CG2-CB 4.1Å; T309-R426 PolarHBondContact OG1-NH1 3.37Å
310	L	95.9	Very high	82	Confident	61 Å²	61	39.8 Å²	39.8	32%	0.319	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	100.5	176.4	-171.4	74.4	0	0	0	110.3	A308 F312 Y316 K425	A308-L310 PolarHBondContact O-N 3.27Å; L310-F312 WeakPolarHBondContact CD1-O 3.48Å; L310-Y316 HydrophobicContact CB-CD1 4.05Å; L310-Y316 HydrophobicContact CB-CE1 3.72Å; L310-Y316 HydrophobicContact CD1-CD1 4.08Å; L310-Y316 HydrophobicContact CD1-CD2 4.18Å; L310-Y316 HydrophobicContact CD1-CE1 3.73Å; L310-Y316 HydrophobicContact CD1-CE2 3.83Å; L310-Y316 HydrophobicContact CD1-CG 4.3Å; L310-Y316 HydrophobicContact CG-CE1 4.32Å; L310-K425 PolarHBondContact O-NZ 3.42Å
311	I	96.9	Very high	83.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-55	178.7	-52.1	-55	0	0	0	109.1	T309 V315 L317 V403 Y421 V422 K425	T309-I311 HydrophobicContact CG2-CD1 3.89Å; T309-I311 PolarHBondContact O-N 2.73Å; T309-I311 VanDerWaalsContact O-N 3.09Å; I311-V315 PolarHBondContact N-O 3.32Å; I311-L317 HydrophobicContact CD1-CB 4Å; I311-L317 HydrophobicContact CD1-CD2 4.19Å; I311-L317 HydrophobicContact CG1-CB 3.59Å; I311-L317 HydrophobicContact CG1-CD2 4.31Å; I311-V403 HydrophobicContact CB-CG1 4.29Å; I311-V403 HydrophobicContact CG1-CG1 4.18Å; I311-V403 HydrophobicContact CG2-CG1 3.93Å; I311-Y421 HydrophobicContact CG2-CD1 4.17Å; I311-Y421 HydrophobicContact CG2-CE1 3.89Å; I311-Y421 PolarHBondContact O-OH 2.84Å; I311-V422 HydrophobicContact CG2-CG2 4.09Å; I311-K425 HydrophobicContact CD1-CB 3.57Å; I311-K425 HydrophobicContact CD1-CG 4.23Å; I311-K425 VanDerWaalsContact O-CE 3.31Å; I311-K425 WeakPolarHBondContact O-CE 3.4Å; I311-K425 PolarHBondContact O-NZ 2.78Å
312	F	96.4	Very high	84	Confident	12 Å²	12	42.1 Å²	42.1	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	162.3	172.8	-53.8	-70.2	0	0	0	109.1	L310 H314 V315 Y406 A407 Y411 W413 Y421	L310-F312 WeakPolarHBondContact CD1-O 3.48Å; F312-H314 PolarHBondContact O-N 2.81Å; F312-V315 HydrophobicContact CB-CB 4.14Å; F312-V315 HydrophobicContact CB-CG2 4.16Å; F312-V315 HydrophobicContact CD2-CB 4.1Å; F312-V315 HydrophobicContact CD2-CG2 4.13Å; F312-V315 PolarHBondContact N-O 3.1Å; F312-V315 CarbonylContact O-C 3.51Å; F312-V315 PolarHBondContact O-N 2.9Å; F312-V315 VanDerWaalsContact O-O 3.07Å; F312-Y406 HydrophobicContact CD2-CD1 4.18Å; F312-Y406 AromaticContact CD2-CE1 3.99Å; F312-Y406 HydrophobicContact CD2-CE1 3.99Å; F312-Y406 HydrophobicContact CE2-CD1 4.05Å; F312-Y406 HydrophobicContact CE2-CE1 4.19Å; F312-A407 HydrophobicContact CE2-CB 3.92Å; F312-A407 HydrophobicContact CZ-CB 3.67Å; F312-Y411 AromaticContact CD1-CE2 3.67Å; F312-Y411 HydrophobicContact CD1-CE2 3.67Å; F312-Y411 AromaticContact CD1-CZ 3.8Å; F312-Y411 WeakPolarHBondContact CD1-OH 3.25Å; F312-Y411 HydrophobicContact CD2-CE2 4.18Å; F312-Y411 HydrophobicContact CE1-CD2 4.01Å; F312-Y411 AromaticContact CE1-CE2 3.4Å; F312-Y411 HydrophobicContact CE1-CE2 3.4Å; F312-Y411 AromaticContact CE1-CZ 3.92Å; F312-Y411 AromaticContact CE2-CE2 3.95Å; F312-Y411 HydrophobicContact CE2-CE2 3.95Å; F312-Y411 HydrophobicContact CG-CE2 4.07Å; F312-Y411 AromaticContact CZ-CD2 3.99Å; F312-Y411 HydrophobicContact CZ-CD2 3.99Å; F312-Y411 AromaticContact CZ-CE2 3.55Å; F312-Y411 HydrophobicContact CZ-CE2 3.55Å; F312-W413 AromaticContact CE1-CH2 3.95Å; F312-W413 HydrophobicContact CE1-CH2 3.95Å; F312-W413 HydrophobicContact CE1-CZ3 4.22Å; F312-W413 HydrophobicContact CZ-CH2 4.36Å; F312-W413 HydrophobicContact CZ-CZ3 4.16Å; F312-Y421 HydrophobicContact CD1-CE1 4.16Å; F312-Y421 HydrophobicContact CE1-CD1 4.15Å; F312-Y421 AromaticContact CE1-CE1 3.54Å; F312-Y421 HydrophobicContact CE1-CE1 3.54Å; F312-Y421 HydrophobicContact CZ-CD1 4.14Å; F312-Y421 AromaticContact CZ-CE1 3.92Å; F312-Y421 HydrophobicContact CZ-CE1 3.92Å
313	D	94.8	Very high	85	Confident	135 Å²	135	38.8 Å²	38.8	72%	0.722	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.3	-171.5	-52.3	-38.5	0	0	0	114	K387	D313-K387 WeakPolarHBondContact O-CD 3.09Å; D313-K387 VanDerWaalsContact O-CE 3.28Å; D313-K387 WeakPolarHBondContact O-CE 3.48Å
314	H	96.3	Very high	86.2	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.093	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	4.6	175.8	64.9	-71.3	0	0	0	114.8	F312 K382 K387 C388 Y406	F312-H314 PolarHBondContact O-N 2.81Å; H314-K382 HydrophobicContact CB-CG 4.43Å; H314-K387 WeakPolarHBondContact O-CA 3.35Å; H314-C388 PolarHBondContact O-N 3.35Å; H314-Y406 PolarHBondContact CE1-OH 3.1Å; H314-Y406 AromaticContact NE2-CE1 3.97Å; H314-Y406 AromaticContact NE2-CZ 3.61Å; H314-Y406 PolarHBondContact NE2-OH 2.85Å
315	V	98.1	Very high	87.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.5	-175.8	-169.1	0	0	0	0	112.3	I311 F312 I378 V390 V403 Y406	I311-V315 PolarHBondContact N-O 3.32Å; F312-V315 HydrophobicContact CB-CB 4.14Å; F312-V315 HydrophobicContact CB-CG2 4.16Å; F312-V315 HydrophobicContact CD2-CB 4.1Å; F312-V315 HydrophobicContact CD2-CG2 4.13Å; F312-V315 PolarHBondContact N-O 3.1Å; F312-V315 CarbonylContact O-C 3.51Å; F312-V315 PolarHBondContact O-N 2.9Å; F312-V315 VanDerWaalsContact O-O 3.07Å; V315-I378 HydrophobicContact CG2-CG2 3.64Å; V315-V390 HydrophobicContact CG1-CG2 4.05Å; V315-V403 HydrophobicContact CG1-CG1 4.49Å; V315-V403 HydrophobicContact CG1-CG2 4.27Å; V315-Y406 HydrophobicContact CG2-CD1 4.44Å; V315-Y406 HydrophobicContact CG2-CE1 4Å
316	Y	98	Very high	88.7	Confident	22 Å²	22	37.6 Å²	37.6	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.9	166.1	-74.3	-82.1	0	0	0	111.5	A308 T309 L310 C332 V334 K387 C388 V390	A308-Y316 HydrophobicContact CB-CD1 3.76Å; A308-Y316 HydrophobicContact CB-CE1 4.46Å; A308-Y316 HydrophobicContact CB-CG 4.19Å; A308-Y316 VanDerWaalsContact O-CD1 3.3Å; A308-Y316 WeakPolarHBondContact O-CD1 3.47Å; T309-Y316 CarbonylContact O-C 3.51Å; T309-Y316 WeakPolarHBondContact O-CA 3.25Å; L310-Y316 HydrophobicContact CB-CD1 4.05Å; L310-Y316 HydrophobicContact CB-CE1 3.72Å; L310-Y316 HydrophobicContact CD1-CD1 4.08Å; L310-Y316 HydrophobicContact CD1-CD2 4.18Å; L310-Y316 HydrophobicContact CD1-CE1 3.73Å; L310-Y316 HydrophobicContact CD1-CE2 3.83Å; L310-Y316 HydrophobicContact CD1-CG 4.3Å; L310-Y316 HydrophobicContact CG-CE1 4.32Å; Y316-C332 HydrophobicContact CE2-CB 3.7Å; Y316-V334 HydrophobicContact CD2-CG2 3.9Å; Y316-V334 HydrophobicContact CE2-CG2 4.17Å; Y316-K387 HydrophobicContact CD2-CB 4.36Å; Y316-K387 HydrophobicContact CD2-CD 4.31Å; Y316-K387 HydrophobicContact CE2-CB 4.35Å; Y316-K387 HydrophobicContact CE2-CD 3.56Å; Y316-C388 PolarHBondContact N-O 3.19Å; Y316-V390 PolarHBondContact O-N 3.15Å
317	L	97	Very high	89.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.9	171.3	174.3	59.2	0	0	0	109.5	T309 I311 V390 S399 A400 V403 V422 R426	T309-L317 PolarHBondContact N-O 2.92Å; T309-L317 PolarHBondContact O-N 3.1Å; I311-L317 HydrophobicContact CD1-CB 4Å; I311-L317 HydrophobicContact CD1-CD2 4.19Å; I311-L317 HydrophobicContact CG1-CB 3.59Å; I311-L317 HydrophobicContact CG1-CD2 4.31Å; L317-V390 WeakPolarHBondContact CA-O 3.49Å; L317-S399 WeakPolarHBondContact CD1-OG 3.49Å; L317-A400 HydrophobicContact CD2-CB 4.15Å; L317-V403 HydrophobicContact CB-CG2 4.45Å; L317-V403 HydrophobicContact CD1-CG2 4.14Å; L317-V422 HydrophobicContact CD2-CG1 3.75Å; L317-R426 PolarHBondContact O-NH1 2.83Å
318	G	93.1	Very high	89.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-169.7	-178	0	0	0	0	0	114.7	N322 V390 H391 G395	G318-N322 WeakPolarHBondContact CA-OD1 3.39Å; G318-V390 PolarHBondContact N-O 3.36Å; G318-V390 VanDerWaalsContact N-O 3.14Å; G318-H391 VanDerWaalsContact O-CA 3.3Å; G318-H391 WeakPolarHBondContact O-CA 3.49Å; G318-H391 WeakPolarHBondContact O-CB 3.32Å; G318-G395 WeakPolarHBondContact O-CA 3.44Å
319	S	89.6	Confident	89.6	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.014	18%	0.18	C	C	.	.			trans	-97.8	179.1	176.8	53.3	0	0	0	0	113.1	D306 W321 N322 A323 C392 K393	D306-S319 WeakPolarHBondContact CB-OG 3.33Å; D306-S319 VanDerWaalsContact CG-OG 3.23Å; D306-S319 WeakPolarHBondContact OD2-CB 3.27Å; D306-S319 PolarHBondContact OD2-N 3.32Å; D306-S319 PolarHBondContact OD2-OG 2.93Å; S319-W321 PolarHBondContact O-N 3.4Å; S319-W321 PolarHBondContact OG-N 3.21Å; S319-N322 PolarHBondContact N-OD1 2.86Å; S319-N322 VanDerWaalsContact N-OD1 3.09Å; S319-N322 PolarHBondContact O-N 2.71Å; S319-N322 PolarHBondContact OG-OD1 2.65Å; S319-A323 PolarHBondContact O-N 2.82Å; S319-C392 CarbonylContact C-O 3.12Å; S319-K393 VanDerWaalsContact CA-O 3.27Å; S319-K393 WeakPolarHBondContact CA-O 3.37Å; S319-K393 WeakPolarHBondContact CB-O 3.11Å
320	E	85.1	Confident	89.3	Confident	9 Å²	9	40.5 Å²	40.5	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-54.6	-32.7	167.1	72.3	-171.9	118.9	0	0	112.6	N322 A323 S324 I344 F347 C392 K393	E320-N322 PolarHBondContact O-N 3.08Å; E320-A323 CarbonylContact O-C 3.48Å; E320-A323 PolarHBondContact O-N 2.9Å; E320-A323 VanDerWaalsContact O-N 3.13Å; E320-S324 WeakPolarHBondContact O-CB 3.46Å; E320-S324 PolarHBondContact O-N 2.81Å; E320-I344 HydrophobicContact CB-CD1 3.82Å; E320-I344 HydrophobicContact CB-CG1 4.33Å; E320-I344 HydrophobicContact CB-CG2 4.29Å; E320-I344 HydrophobicContact CG-CD1 4.38Å; E320-I344 WeakPolarHBondContact OE2-CD1 3.42Å; E320-I344 WeakPolarHBondContact OE2-CG1 3.25Å; E320-F347 HydrophobicContact CB-CE2 4.48Å; E320-F347 HydrophobicContact CB-CZ 4.47Å; E320-F347 WeakPolarHBondContact O-CE2 3.36Å; E320-C392 PolarHBondContact N-O 3.07Å; E320-K393 PolarHBondContact N-O 3.02Å; E320-K393 WeakPolarHBondContact OE1-CG 3.19Å
321	W	84.2	Confident	88.8	Confident	138 Å²	138	43.6 Å²	43.6	52%	0.523	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-43.9	179.5	-60.4	98.4	0	0	0	111	S319 A323 S324 N325	S319-W321 PolarHBondContact O-N 3.4Å; S319-W321 PolarHBondContact OG-N 3.21Å; W321-A323 VanDerWaalsContact C-N 3.35Å; W321-A323 PolarHBondContact O-N 3.23Å; W321-S324 PolarHBondContact O-N 3.11Å; W321-S324 PolarHBondContact O-OG 3.44Å; W321-N325 PolarHBondContact O-N 2.97Å
322	N	87.8	Confident	88.4	Confident	2 Å²	2	45 Å²	45	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-36.6	173.6	-53.7	117	0	0	0	112.3	D306 A308 G318 S319 E320 S324 N325 L389	D306-N322 WeakPolarHBondContact CB-OD1 3.33Å; D306-N322 PolarHBondContact O-ND2 3.36Å; D306-N322 PolarHBondContact OD1-OD1 3.32Å; D306-N322 VanDerWaalsContact OD1-OD1 3.07Å; D306-N322 PolarHBondContact OD2-OD1 2.97Å; A308-N322 HydrophobicContact CB-CB 4.14Å; A308-N322 PolarHBondContact N-ND2 3.11Å; G318-N322 WeakPolarHBondContact CA-OD1 3.39Å; S319-N322 PolarHBondContact N-OD1 2.86Å; S319-N322 VanDerWaalsContact N-OD1 3.09Å; S319-N322 PolarHBondContact O-N 2.71Å; S319-N322 PolarHBondContact OG-OD1 2.65Å; E320-N322 PolarHBondContact O-N 3.08Å; N322-S324 PolarHBondContact O-N 3.16Å; N322-N325 PolarHBondContact O-N 3.42Å; N322-L389 HydrophobicContact CB-CD2 4.15Å
323	A	88.2	Confident	88.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-20.2	175.8	0	0	0	0	0	113.3	S319 E320 W321 F347 F348 L389 H391	S319-A323 PolarHBondContact O-N 2.82Å; E320-A323 CarbonylContact O-C 3.48Å; E320-A323 PolarHBondContact O-N 2.9Å; E320-A323 VanDerWaalsContact O-N 3.13Å; W321-A323 VanDerWaalsContact C-N 3.35Å; W321-A323 PolarHBondContact O-N 3.23Å; A323-F347 VanDerWaalsContact C-CD2 3.46Å; A323-F347 HydrophobicContact CB-CD2 4.04Å; A323-F347 HydrophobicContact CB-CE2 4.05Å; A323-F347 VanDerWaalsContact O-CD2 3.27Å; A323-F347 WeakPolarHBondContact O-CD2 3.4Å; A323-F348 WeakPolarHBondContact O-CE2 3.47Å; A323-L389 HydrophobicContact CB-CD2 4.01Å; A323-H391 HydrophobicContact CB-CB 4.48Å
324	S	80.3	Confident	88.3	Confident	43 Å²	43	40.4 Å²	40.4	30%	0.301	21%	0.209	S	C	.	.	H	α-helix	trans	-88.6	-9.7	174.3	80.3	0	0	0	0	114	E320 W321 N322 L326 F348	E320-S324 WeakPolarHBondContact O-CB 3.46Å; E320-S324 PolarHBondContact O-N 2.81Å; W321-S324 PolarHBondContact O-N 3.11Å; W321-S324 PolarHBondContact O-OG 3.44Å; N322-S324 PolarHBondContact O-N 3.16Å; S324-L326 PolarHBondContact O-N 2.59Å; S324-F348 WeakPolarHBondContact O-CE2 3.45Å; S324-F348 VanDerWaalsContact O-CZ 3.23Å; S324-F348 WeakPolarHBondContact O-CZ 3.38Å
325	N	79.1	Confident	88.2	Confident	63 Å²	63	40.4 Å²	40.4	34%	0.337	22%	0.215	S	C	.	.			trans	-95.6	86.1	-174.7	-169.3	-4.5	0	0	0	112	W321 N322 E327 E328 L329	W321-N325 PolarHBondContact O-N 2.97Å; N322-N325 PolarHBondContact O-N 3.42Å; N325-E327 VanDerWaalsContact C-N 3.27Å; N325-E327 PolarHBondContact O-N 3.16Å; N325-E328 HydrophobicContact CB-CB 4.02Å; N325-E328 VanDerWaalsContact CG-CB 3.43Å; N325-E328 WeakPolarHBondContact ND2-CB 3.32Å; N325-E328 PolarHBondContact ND2-OE2 3.13Å; N325-E328 PolarHBondContact O-N 3.1Å; N325-E328 PolarHBondContact OD1-N 3.41Å; N325-L329 WeakPolarHBondContact O-CB 3.42Å; N325-L329 VanDerWaalsContact O-CG 3.28Å; N325-L329 WeakPolarHBondContact O-CG 3.46Å; N325-L329 PolarHBondContact O-N 3.02Å
326	L	79.1	Confident	88.2	Confident	53 Å²	53	41.8 Å²	41.8	28%	0.277	22%	0.22	S	C	.	.	H	α-helix	trans	-53.2	-41.4	-178.1	-177	59.9	0	0	0	113.4	S324 Q330 F348 M351 F352	S324-L326 PolarHBondContact O-N 2.59Å; L326-Q330 HydrophobicContact CD1-CG 4.4Å; L326-Q330 WeakPolarHBondContact O-CB 3.49Å; L326-Q330 VanDerWaalsContact O-CG 3.32Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 3.07Å; L326-F348 HydrophobicContact CB-CE1 3.98Å; L326-F348 HydrophobicContact CB-CE2 3.94Å; L326-F348 HydrophobicContact CB-CZ 3.64Å; L326-F348 HydrophobicContact CD1-CD1 4.24Å; L326-F348 HydrophobicContact CD1-CD2 4.23Å; L326-F348 HydrophobicContact CD1-CE1 4.47Å; L326-F348 HydrophobicContact CD1-CE2 4.45Å; L326-F348 HydrophobicContact CD1-CG 4.13Å; L326-F348 HydrophobicContact CD2-CE1 4.35Å; L326-M351 HydrophobicContact CD1-CE 3.85Å; L326-M351 HydrophobicContact CD1-SD 4.09Å; L326-M351 HydrophobicContact CD2-CE 4.2Å; L326-M351 HydrophobicContact CD2-SD 4.42Å; L326-F352 HydrophobicContact CD1-CE2 3.75Å; L326-F352 HydrophobicContact CD1-CZ 3.79Å
327	E	78.7	Confident	88.2	Confident	137 Å²	137	40.8 Å²	40.8	64%	0.64	22%	0.216	S	C	*	.	H	α-helix	trans	-70.3	-43.5	-177.4	-179.6	174.1	176.9	0	0	111.7	N325 Q330 N331	N325-E327 VanDerWaalsContact C-N 3.27Å; N325-E327 PolarHBondContact O-N 3.16Å; E327-Q330 PolarHBondContact O-N 3.05Å; E327-N331 WeakPolarHBondContact CG-ND2 3.26Å; E327-N331 VanDerWaalsContact O-CB 3.24Å; E327-N331 WeakPolarHBondContact O-CB 3.45Å; E327-N331 PolarHBondContact O-N 3.02Å; E327-N331 PolarHBondContact O-ND2 2.85Å
328	E	82.2	Confident	88.3	Confident	37 Å²	37	40.8 Å²	40.8	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-41.6	175.1	-176.4	179.5	-173.2	0	0	111.5	K307 A308 N325 Q330 N331 C332	K307-E328 WeakPolarHBondContact CA-OE1 3.23Å; A308-E328 PolarHBondContact N-OE1 3.43Å; A308-E328 VanDerWaalsContact N-OE1 3.11Å; N325-E328 HydrophobicContact CB-CB 4.02Å; N325-E328 VanDerWaalsContact CG-CB 3.43Å; N325-E328 WeakPolarHBondContact ND2-CB 3.32Å; N325-E328 PolarHBondContact ND2-OE2 3.13Å; N325-E328 PolarHBondContact O-N 3.1Å; N325-E328 PolarHBondContact OD1-N 3.41Å; E328-Q330 PolarHBondContact O-N 2.74Å; E328-N331 PolarHBondContact O-N 3.05Å; E328-C332 WeakPolarHBondContact O-CB 3.26Å; E328-C332 PolarHBondContact O-N 3.22Å; E328-C332 PolarHBondContact O-SG 2.74Å; E328-C332 VanDerWaalsContact O-SG 3.33Å
329	L	88.1	Confident	88.4	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-47.3	174.7	-72.7	166	0	0	0	111.9	N325 G333 V334 I337 F348 F352 L389	N325-L329 WeakPolarHBondContact O-CB 3.42Å; N325-L329 VanDerWaalsContact O-CG 3.28Å; N325-L329 WeakPolarHBondContact O-CG 3.46Å; N325-L329 PolarHBondContact O-N 3.02Å; L329-G333 PolarHBondContact O-N 2.85Å; L329-V334 HydrophobicContact CB-CB 4.48Å; L329-V334 HydrophobicContact CD2-CB 4.04Å; L329-V334 HydrophobicContact CD2-CG1 3.91Å; L329-V334 HydrophobicContact CD2-CG2 4.21Å; L329-V334 WeakPolarHBondContact O-CB 3.44Å; L329-V334 PolarHBondContact O-N 3.46Å; L329-I337 HydrophobicContact CD1-CD1 3.86Å; L329-I337 HydrophobicContact CD2-CD1 3.91Å; L329-I337 HydrophobicContact CD2-CG1 4.39Å; L329-F348 HydrophobicContact CD1-CD2 4.02Å; L329-F348 HydrophobicContact CD1-CE2 4.05Å; L329-F352 HydrophobicContact CB-CE1 3.95Å; L329-F352 HydrophobicContact CB-CZ 3.66Å; L329-F352 HydrophobicContact CD1-CE2 4.01Å; L329-F352 HydrophobicContact CD1-CZ 3.91Å; L329-F352 HydrophobicContact CG-CZ 4.37Å; L329-L389 HydrophobicContact CD2-CB 4.29Å; L329-L389 HydrophobicContact CD2-CD2 3.71Å
330	Q	86.9	Confident	88.7	Confident	111 Å²	111	40.7 Å²	40.7	52%	0.519	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-49.6	177.7	-73.4	177.8	-13.6	0	0	111.8	L326 E327 E328 C332 G333	L326-Q330 HydrophobicContact CD1-CG 4.4Å; L326-Q330 WeakPolarHBondContact O-CB 3.49Å; L326-Q330 VanDerWaalsContact O-CG 3.32Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 3.07Å; E327-Q330 PolarHBondContact O-N 3.05Å; E328-Q330 PolarHBondContact O-N 2.74Å; Q330-C332 VanDerWaalsContact C-N 3.26Å; Q330-C332 PolarHBondContact O-N 3.48Å; Q330-G333 PolarHBondContact O-N 2.69Å
331	N	84.8	Confident	88.8	Confident	127 Å²	127	40.2 Å²	40.2	68%	0.679	21%	0.213	S	C	*	.	H	α-helix	trans	-63.1	-29.9	179.7	-74.1	-28.2	0	0	0	113	E327 E328 G333	E327-N331 WeakPolarHBondContact CG-ND2 3.26Å; E327-N331 VanDerWaalsContact O-CB 3.24Å; E327-N331 WeakPolarHBondContact O-CB 3.45Å; E327-N331 PolarHBondContact O-N 3.02Å; E327-N331 PolarHBondContact O-ND2 2.85Å; E328-N331 PolarHBondContact O-N 3.05Å; N331-G333 VanDerWaalsContact C-N 3.34Å
332	C	88.4	Confident	88.7	Confident	28 Å²	28	40.4 Å²	40.4	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-17	173.6	-76.6	0	0	0	0	113.7	Y316 E328 Q330 V334 K387	Y316-C332 HydrophobicContact CE2-CB 3.7Å; E328-C332 WeakPolarHBondContact O-CB 3.26Å; E328-C332 PolarHBondContact O-N 3.22Å; E328-C332 PolarHBondContact O-SG 2.74Å; E328-C332 VanDerWaalsContact O-SG 3.33Å; Q330-C332 VanDerWaalsContact C-N 3.26Å; Q330-C332 PolarHBondContact O-N 3.48Å; C332-V334 HydrophobicContact CB-CG2 4.04Å; C332-K387 VanDerWaalsContact O-CD 3.31Å; C332-K387 WeakPolarHBondContact O-CD 3.47Å; C332-K387 WeakPolarHBondContact O-CE 3.42Å; C332-K387 PolarHBondContact O-NZ 2.74Å
333	G	92.4	Very high	88.2	Confident	39 Å²	39	44.2 Å²	44.2	40%	0.402	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	30.6	-174.5	0	0	0	0	0	113.9	L329 Q330 N331 K387	L329-G333 PolarHBondContact O-N 2.85Å; Q330-G333 PolarHBondContact O-N 2.69Å; N331-G333 VanDerWaalsContact C-N 3.34Å; G333-K387 WeakPolarHBondContact O-CB 3.44Å; G333-K387 PolarHBondContact O-N 3.24Å
334	V	96.5	Very high	87.6	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.073	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.9	176.5	-179.3	0	0	0	0	109.7	Y316 L329 C332 Y336 I337 F352 K387 L389	Y316-V334 HydrophobicContact CD2-CG2 3.9Å; Y316-V334 HydrophobicContact CE2-CG2 4.17Å; L329-V334 HydrophobicContact CB-CB 4.48Å; L329-V334 HydrophobicContact CD2-CB 4.04Å; L329-V334 HydrophobicContact CD2-CG1 3.91Å; L329-V334 HydrophobicContact CD2-CG2 4.21Å; L329-V334 WeakPolarHBondContact O-CB 3.44Å; L329-V334 PolarHBondContact O-N 3.46Å; C332-V334 HydrophobicContact CB-CG2 4.04Å; V334-Y336 WeakPolarHBondContact CG1-O 3.37Å; V334-I337 HydrophobicContact CG1-CG1 4.01Å; V334-F352 WeakPolarHBondContact O-CD1 3.24Å; V334-F352 WeakPolarHBondContact O-CE1 3.43Å; V334-K387 WeakPolarHBondContact CA-O 3.29Å; V334-K387 HydrophobicContact CG2-CB 4.46Å; V334-L389 HydrophobicContact CG1-CB 4.04Å
335	G	95	Very high	87.7	Confident	21 Å²	21	47.9 Å²	47.9	22%	0.216	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-11.5	170.1	0	0	0	0	0	113.5	S353 S386 K387	G335-S353 PolarHBondContact O-N 2.87Å; G335-S386 VanDerWaalsContact CA-OG 3.31Å; G335-S386 WeakPolarHBondContact CA-OG 3.07Å; G335-S386 PolarHBondContact N-OG 2.99Å; G335-K387 PolarHBondContact N-O 3.27Å
336	Y	98.3	Very high	88	Confident	29 Å²	29	46.7 Å²	46.7	11%	0.114	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134	-173.2	-71	-102.8	0	0	0	109.9	V334 S353 F377 K380 A381 N384 K387 C388 L389	V334-Y336 WeakPolarHBondContact CG1-O 3.37Å; Y336-S353 CarbonylContact C-O 3.53Å; Y336-S353 WeakPolarHBondContact CA-O 3.47Å; Y336-F377 HydrophobicContact CD1-CD2 4.5Å; Y336-F377 HydrophobicContact CD1-CE1 4.29Å; Y336-F377 AromaticContact CD1-CE2 3.86Å; Y336-F377 HydrophobicContact CD1-CE2 3.86Å; Y336-F377 AromaticContact CD1-CZ 3.75Å; Y336-F377 HydrophobicContact CD1-CZ 3.75Å; Y336-F377 HydrophobicContact CG-CZ 4.41Å; Y336-K380 HydrophobicContact CE1-CD 4.19Å; Y336-K380 HydrophobicContact CE1-CG 4.14Å; Y336-A381 HydrophobicContact CD1-CB 4Å; Y336-A381 HydrophobicContact CD2-CB 3.56Å; Y336-A381 HydrophobicContact CE2-CB 4.27Å; Y336-A381 HydrophobicContact CG-CB 3.45Å; Y336-A381 VanDerWaalsContact CG-CB 3.45Å; Y336-N384 HydrophobicContact CE2-CB 4.48Å; Y336-N384 PolarHBondContact OH-ND2 3.3Å; Y336-K387 PolarHBondContact N-O 3.01Å; Y336-C388 CarbonylContact O-C 3.6Å; Y336-C388 VanDerWaalsContact O-CA 3.24Å; Y336-C388 WeakPolarHBondContact O-CA 3.17Å; Y336-L389 PolarHBondContact O-N 3.08Å
337	I	98	Very high	87.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.2	179.5	-56.9	177	0	0	0	109.5	L329 V334 F352 S353 Y354 H355 L389	L329-I337 HydrophobicContact CD1-CD1 3.86Å; L329-I337 HydrophobicContact CD2-CD1 3.91Å; L329-I337 HydrophobicContact CD2-CG1 4.39Å; V334-I337 HydrophobicContact CG1-CG1 4.01Å; I337-F352 HydrophobicContact CD1-CB 3.92Å; I337-F352 HydrophobicContact CD1-CD1 4.1Å; I337-F352 HydrophobicContact CD1-CD2 3.7Å; I337-F352 HydrophobicContact CD1-CE2 4.22Å; I337-F352 HydrophobicContact CD1-CG 3.63Å; I337-F352 HydrophobicContact CG1-CB 4.11Å; I337-F352 HydrophobicContact CG1-CD1 4.49Å; I337-F352 HydrophobicContact CG1-CG 4.21Å; I337-S353 PolarHBondContact N-O 2.81Å; I337-Y354 HydrophobicContact CB-CD1 3.73Å; I337-Y354 HydrophobicContact CB-CE1 3.56Å; I337-Y354 HydrophobicContact CB-CG 4.45Å; I337-Y354 HydrophobicContact CD1-CE1 4.01Å; I337-Y354 HydrophobicContact CD1-CE2 4.5Å; I337-Y354 HydrophobicContact CG1-CE1 4.34Å; I337-Y354 HydrophobicContact CG2-CD1 3.91Å; I337-Y354 HydrophobicContact CG2-CE1 3.52Å; I337-Y354 VanDerWaalsContact O-CA 3.32Å; I337-Y354 WeakPolarHBondContact O-CA 3.46Å; I337-H355 PolarHBondContact O-N 2.9Å; I337-H355 VanDerWaalsContact O-N 3.08Å; I337-L389 WeakPolarHBondContact CA-O 3.23Å; I337-L389 HydrophobicContact CG1-CB 4.47Å
338	L	98.3	Very high	88.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.7	175.9	173	56.5	0	0	0	108.9	I340 H355 V357 T374 F377 I378 L389 V390 H391 T402	L338-I340 HydrophobicContact CD1-CG1 4.13Å; L338-I340 HydrophobicContact CD2-CD1 4.17Å; L338-I340 HydrophobicContact CD2-CG1 4.47Å; L338-I340 HydrophobicContact CG-CD1 4.06Å; L338-I340 HydrophobicContact CG-CG1 3.94Å; L338-H355 HydrophobicContact CD1-CB 4.17Å; L338-V357 HydrophobicContact CD1-CG2 4.49Å; L338-T374 HydrophobicContact CD1-CG2 3.92Å; L338-T374 HydrophobicContact CD2-CG2 3.95Å; L338-F377 HydrophobicContact CB-CD1 4.04Å; L338-F377 HydrophobicContact CB-CE1 3.97Å; L338-I378 HydrophobicContact CD2-CD1 4.07Å; L338-I378 HydrophobicContact CD2-CG1 4.26Å; L338-L389 PolarHBondContact N-O 2.68Å; L338-V390 HydrophobicContact CB-CG1 4.42Å; L338-V390 HydrophobicContact CB-CG2 4.27Å; L338-V390 HydrophobicContact CD2-CG1 3.82Å; L338-V390 HydrophobicContact CD2-CG2 4.08Å; L338-V390 HydrophobicContact CG-CG1 4.11Å; L338-H391 PolarHBondContact O-CD2 2.98Å; L338-H391 PolarHBondContact O-N 3.29Å; L338-T402 HydrophobicContact CD2-CG2 4.11Å
339	N	96.4	Very high	88.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.4	180	176.9	-6.7	0	0	0	109.6	T341 I344 N346 H355 N356 V357 H391	N339-T341 WeakPolarHBondContact OD1-CB 3.41Å; N339-T341 PolarHBondContact OD1-N 3.24Å; N339-T341 PolarHBondContact OD1-OG1 3.48Å; N339-I344 PolarHBondContact ND2-O 3.07Å; N339-N346 PolarHBondContact ND2-OD1 3.37Å; N339-H355 PolarHBondContact N-O 3.38Å; N339-N356 PolarHBondContact ND2-ND2 3.15Å; N339-N356 VanDerWaalsContact ND2-ND2 3.2Å; N339-N356 CarbonylContact O-C 3.51Å; N339-N356 WeakPolarHBondContact O-CA 3.48Å; N339-V357 PolarHBondContact O-N 2.6Å; N339-H391 VanDerWaalsContact CB-NE2 3.32Å; N339-H391 WeakPolarHBondContact CB-NE2 3.15Å
340	I	96	Very high	87.6	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.			trans	-109	64.5	-179.9	-51	151.9	0	0	0	107.9	L338 V357 V359 L367 V390 H391 C392 R398 T402	L338-I340 HydrophobicContact CD1-CG1 4.13Å; L338-I340 HydrophobicContact CD2-CD1 4.17Å; L338-I340 HydrophobicContact CD2-CG1 4.47Å; L338-I340 HydrophobicContact CG-CD1 4.06Å; L338-I340 HydrophobicContact CG-CG1 3.94Å; I340-V357 CarbonylContact C-O 3.53Å; I340-V357 HydrophobicContact CG1-CB 4.46Å; I340-V357 HydrophobicContact CG2-CB 4.2Å; I340-V357 HydrophobicContact CG2-CG1 4.3Å; I340-V359 HydrophobicContact CG2-CG2 4.13Å; I340-L367 HydrophobicContact CG2-CD2 3.78Å; I340-V390 HydrophobicContact CD1-CG1 3.48Å; I340-V390 VanDerWaalsContact CD1-CG1 3.48Å; I340-H391 PolarHBondContact N-O 2.93Å; I340-C392 WeakPolarHBondContact O-CB 2.95Å; I340-R398 HydrophobicContact CB-CB 4.46Å; I340-R398 HydrophobicContact CG2-CB 3.89Å; I340-R398 HydrophobicContact CG2-CG 4.37Å; I340-R398 WeakPolarHBondContact O-CD 3.41Å; I340-T402 HydrophobicContact CD1-CG2 3.79Å; I340-T402 WeakPolarHBondContact CD1-OG1 3.18Å
341	T	87.2	Confident	87.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.281	C	S	.	.			trans	-146	151.7	176.3	74.9	0	0	0	0	110.1	N339 E343 I344 V357 R358 V359 C392	N339-T341 WeakPolarHBondContact OD1-CB 3.41Å; N339-T341 PolarHBondContact OD1-N 3.24Å; N339-T341 PolarHBondContact OD1-OG1 3.48Å; T341-E343 WeakPolarHBondContact CB-OE2 2.96Å; T341-I344 HydrophobicContact CG2-CB 4.4Å; T341-I344 HydrophobicContact CG2-CD1 3.84Å; T341-I344 WeakPolarHBondContact OG1-CB 3.34Å; T341-I344 PolarHBondContact OG1-N 3.19Å; T341-I344 VanDerWaalsContact OG1-N 3.17Å; T341-I344 PolarHBondContact OG1-O 3.33Å; T341-V357 PolarHBondContact N-O 2.88Å; T341-R358 WeakPolarHBondContact O-CA 3.34Å; T341-R358 WeakPolarHBondContact O-CD 3.45Å; T341-V359 CarbonylContact C-O 3.56Å; T341-V359 WeakPolarHBondContact CA-O 3.26Å; T341-C392 HydrophobicContact CG2-CB 4Å
342	R	80.9	Confident	87.9	Confident	142 Å²	142	43.7 Å²	43.7	54%	0.536	25%	0.252	S	S	.	.	S	Bend	trans	-88.1	-36.7	167.1	-174.9	159.6	170.8	172.5	-0.4	111	R358 V359 Y360	R342-R358 PolarHBondContact O-NH1 3.32Å; R342-R358 VanDerWaalsContact O-NH1 3.08Å; R342-V359 PolarHBondContact N-O 2.9Å; R342-Y360 HydrophobicContact CB-CD1 3.81Å; R342-Y360 HydrophobicContact CB-CE1 3.67Å; R342-Y360 HydrophobicContact CB-CG 4.38Å; R342-Y360 HydrophobicContact CG-CD1 4.49Å; R342-Y360 HydrophobicContact CG-CE1 3.93Å; R342-Y360 HydrophobicContact CG-CE2 4.44Å
343	E	78.3	Confident	88.2	Confident	82 Å²	82	44.4 Å²	44.4	38%	0.383	26%	0.257	S	S	.	.	S	Bend	trans	-82.5	-22.2	-167.6	65.3	-85.6	-154.5	0	0	115.5	T341 Y360 R398	T341-E343 WeakPolarHBondContact CB-OE2 2.96Å; E343-Y360 HydrophobicContact CB-CE1 4.33Å; E343-R398 IonicContact OE1-CZ 2.79Å; E343-R398 IonicContact OE1-NH1 2.82Å; E343-R398 PolarHBondContact OE1-NH1 2.86Å; E343-R398 IonicContact OE1-NH2 2.76Å; E343-R398 PolarHBondContact OE1-NH2 3.21Å; E343-R398 IonicContact OE2-CZ 3.27Å; E343-R398 IonicContact OE2-NH1 3.22Å; E343-R398 PolarHBondContact OE2-NH1 2.68Å
344	I	74.8	Confident	88.4	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.062	25%	0.245	C	C	.	.			trans	-109.9	126.7	-178.4	-65.9	135.5	0	0	0	110.3	E320 N339 T341 F347 R358 K393	E320-I344 HydrophobicContact CB-CD1 3.82Å; E320-I344 HydrophobicContact CB-CG1 4.33Å; E320-I344 HydrophobicContact CB-CG2 4.29Å; E320-I344 HydrophobicContact CG-CD1 4.38Å; E320-I344 WeakPolarHBondContact OE2-CD1 3.42Å; E320-I344 WeakPolarHBondContact OE2-CG1 3.25Å; N339-I344 PolarHBondContact ND2-O 3.07Å; T341-I344 HydrophobicContact CG2-CB 4.4Å; T341-I344 HydrophobicContact CG2-CD1 3.84Å; T341-I344 WeakPolarHBondContact OG1-CB 3.34Å; T341-I344 PolarHBondContact OG1-N 3.19Å; T341-I344 VanDerWaalsContact OG1-N 3.17Å; T341-I344 PolarHBondContact OG1-O 3.33Å; I344-F347 HydrophobicContact CG2-CE2 3.76Å; I344-F347 HydrophobicContact CG2-CZ 3.83Å; I344-R358 PolarHBondContact O-NH1 2.88Å; I344-K393 HydrophobicContact CD1-CB 3.98Å; I344-K393 HydrophobicContact CD1-CG 4.19Å
345	D	82.4	Confident	88.4	Confident	108 Å²	108	46.5 Å²	46.5	58%	0.578	26%	0.255	S	S	*	.			trans	-85.5	163.3	173.8	-74.8	-36.5	0	0	0	112.1	F347 R358	D345-F347 PolarHBondContact O-N 2.94Å; D345-R358 IonicContact OD1-CZ 2.63Å; D345-R358 VanDerWaalsContact OD1-CZ 3.22Å; D345-R358 IonicContact OD1-NH1 2.69Å; D345-R358 PolarHBondContact OD1-NH1 2.85Å; D345-R358 IonicContact OD1-NH2 3.97Å; D345-R358 PolarHBondContact OD1-NH2 2.87Å
346	N	85.8	Confident	88.3	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.203	26%	0.257	C	S	.	.			trans	-73.2	121.9	-178.4	-62.7	-13.6	0	0	0	110.3	N339 P349 Y354 N356	N339-N346 PolarHBondContact ND2-OD1 3.37Å; N346-P349 WeakPolarHBondContact O-CD 3.35Å; N346-Y354 HydrophobicContact CB-CD1 3.72Å; N346-Y354 HydrophobicContact CB-CD2 4.28Å; N346-Y354 HydrophobicContact CB-CE1 3.55Å; N346-Y354 HydrophobicContact CB-CE2 4.13Å; N346-Y354 HydrophobicContact CB-CG 4.08Å; N346-Y354 WeakPolarHBondContact ND2-CB 3.48Å; N346-Y354 WeakPolarHBondContact ND2-CD1 3.41Å; N346-Y354 WeakPolarHBondContact OD1-CD1 3.2Å; N346-N356 PolarHBondContact ND2-OD1 3.17Å; N346-N356 PolarHBondContact OD1-ND2 2.71Å; N346-N356 PolarHBondContact OD1-OD1 3.26Å
347	F	77.3	Confident	88.1	Confident	54 Å²	54	46.6 Å²	46.6	24%	0.237	25%	0.252	C	S	.	.	S	Bend	trans	-68	-35.7	-175.4	-62.7	-81.7	0	0	0	114.3	E320 A323 I344 D345 P349	E320-F347 HydrophobicContact CB-CE2 4.48Å; E320-F347 HydrophobicContact CB-CZ 4.47Å; E320-F347 WeakPolarHBondContact O-CE2 3.36Å; A323-F347 VanDerWaalsContact C-CD2 3.46Å; A323-F347 HydrophobicContact CB-CD2 4.04Å; A323-F347 HydrophobicContact CB-CE2 4.05Å; A323-F347 VanDerWaalsContact O-CD2 3.27Å; A323-F347 WeakPolarHBondContact O-CD2 3.4Å; I344-F347 HydrophobicContact CG2-CE2 3.76Å; I344-F347 HydrophobicContact CG2-CZ 3.83Å; D345-F347 PolarHBondContact O-N 2.94Å; F347-P349 VanDerWaalsContact C-CD 3.45Å; F347-P349 WeakPolarHBondContact O-CD 3.46Å
348	F	86.4	Confident	87.8	Confident	44 Å²	44	51.4 Å²	51.4	19%	0.193	27%	0.27	C	S	.	.	S	Bend	trans	-128.8	55.3	-170.5	-53.9	-63.5	0	0	0	113.6	A323 S324 L326 L329 G350 M351 F352 Y354	A323-F348 WeakPolarHBondContact O-CE2 3.47Å; S324-F348 WeakPolarHBondContact O-CE2 3.45Å; S324-F348 VanDerWaalsContact O-CZ 3.23Å; S324-F348 WeakPolarHBondContact O-CZ 3.38Å; L326-F348 HydrophobicContact CB-CE1 3.98Å; L326-F348 HydrophobicContact CB-CE2 3.94Å; L326-F348 HydrophobicContact CB-CZ 3.64Å; L326-F348 HydrophobicContact CD1-CD1 4.24Å; L326-F348 HydrophobicContact CD1-CD2 4.23Å; L326-F348 HydrophobicContact CD1-CE1 4.47Å; L326-F348 HydrophobicContact CD1-CE2 4.45Å; L326-F348 HydrophobicContact CD1-CG 4.13Å; L326-F348 HydrophobicContact CD2-CE1 4.35Å; L329-F348 HydrophobicContact CD1-CD2 4.02Å; L329-F348 HydrophobicContact CD1-CE2 4.05Å; F348-G350 PolarHBondContact O-N 2.77Å; F348-M351 HydrophobicContact CB-CB 4.19Å; F348-M351 HydrophobicContact CB-CG 4.46Å; F348-M351 HydrophobicContact CB-SD 4.28Å; F348-M351 PolarHBondContact O-N 2.84Å; F348-M351 VanDerWaalsContact O-N 3.09Å; F348-F352 HydrophobicContact CB-CD2 3.73Å; F348-F352 HydrophobicContact CB-CE2 3.69Å; F348-F352 HydrophobicContact CD2-CD2 4.44Å; F348-F352 AromaticContact CD2-CE2 3.85Å; F348-F352 HydrophobicContact CD2-CE2 3.85Å; F348-F352 HydrophobicContact CG-CD2 4.5Å; F348-F352 HydrophobicContact CG-CE2 4.03Å; F348-Y354 PolarHBondContact N-OH 3.11Å; F348-Y354 VanDerWaalsContact N-OH 3.11Å; F348-Y354 WeakPolarHBondContact O-CE2 3.34Å
349	P	78	Confident	87.3	Confident	99 Å²	99	52.4 Å²	52.4	64%	0.643	28%	0.276	S	S	*	.	B	Isolated β-bridge	trans	-61.4	128.2	-176.1	28	-34.8	0	0	0	111	N346 F347	N346-P349 WeakPolarHBondContact O-CD 3.35Å; F347-P349 VanDerWaalsContact C-CD 3.45Å; F347-P349 WeakPolarHBondContact O-CD 3.46Å
350	G	78.4	Confident	86.9	Confident	83 Å²	83	57.1 Å²	57.1	86%	0.856	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-14.4	-176.7	0	0	0	0	0	114.9	F348	F348-G350 PolarHBondContact O-N 2.77Å
351	M	82.5	Confident	86.5	Confident	108 Å²	108	60 Å²	60	53%	0.532	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-33.6	172.5	-60.1	-173.2	73.2	0	0	112.7	L326 F348	L326-M351 HydrophobicContact CD1-CE 3.85Å; L326-M351 HydrophobicContact CD1-SD 4.09Å; L326-M351 HydrophobicContact CD2-CE 4.2Å; L326-M351 HydrophobicContact CD2-SD 4.42Å; F348-M351 HydrophobicContact CB-CB 4.19Å; F348-M351 HydrophobicContact CB-CG 4.46Å; F348-M351 HydrophobicContact CB-SD 4.28Å; F348-M351 PolarHBondContact O-N 2.84Å; F348-M351 VanDerWaalsContact O-N 3.09Å
352	F	94.2	Very high	86.5	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.083	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-122	156.1	176.7	-52.5	-88.1	0	0	0	110.5	L326 L329 V334 I337 F348 Y354	L326-F352 HydrophobicContact CD1-CE2 3.75Å; L326-F352 HydrophobicContact CD1-CZ 3.79Å; L329-F352 HydrophobicContact CB-CE1 3.95Å; L329-F352 HydrophobicContact CB-CZ 3.66Å; L329-F352 HydrophobicContact CD1-CE2 4.01Å; L329-F352 HydrophobicContact CD1-CZ 3.91Å; L329-F352 HydrophobicContact CG-CZ 4.37Å; V334-F352 WeakPolarHBondContact O-CD1 3.24Å; V334-F352 WeakPolarHBondContact O-CE1 3.43Å; I337-F352 HydrophobicContact CD1-CB 3.92Å; I337-F352 HydrophobicContact CD1-CD1 4.1Å; I337-F352 HydrophobicContact CD1-CD2 3.7Å; I337-F352 HydrophobicContact CD1-CE2 4.22Å; I337-F352 HydrophobicContact CD1-CG 3.63Å; I337-F352 HydrophobicContact CG1-CB 4.11Å; I337-F352 HydrophobicContact CG1-CD1 4.49Å; I337-F352 HydrophobicContact CG1-CG 4.21Å; F348-F352 HydrophobicContact CB-CD2 3.73Å; F348-F352 HydrophobicContact CB-CE2 3.69Å; F348-F352 HydrophobicContact CD2-CD2 4.44Å; F348-F352 AromaticContact CD2-CE2 3.85Å; F348-F352 HydrophobicContact CD2-CE2 3.85Å; F348-F352 HydrophobicContact CG-CD2 4.5Å; F348-F352 HydrophobicContact CG-CE2 4.03Å; F352-Y354 HydrophobicContact CB-CD2 4.29Å; F352-Y354 HydrophobicContact CB-CE2 3.94Å; F352-Y354 HydrophobicContact CD2-CE2 4.36Å; F352-Y354 WeakPolarHBondContact O-CD2 3.18Å
353	S	95.3	Very high	86.7	Confident	42 Å²	42	62 Å²	62	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.9	165.4	-162.9	0	0	0	0	108.7	G335 Y336 I337 F377	G335-S353 PolarHBondContact O-N 2.87Å; Y336-S353 CarbonylContact C-O 3.53Å; Y336-S353 WeakPolarHBondContact CA-O 3.47Å; I337-S353 PolarHBondContact N-O 2.81Å; S353-F377 WeakPolarHBondContact O-CZ 3.23Å
354	Y	96	Very high	87.2	Confident	39 Å²	39	62.7 Å²	62.7	15%	0.153	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.8	179.4	-80.2	-91	0	0	0	112.3	I337 N346 F348 F352	I337-Y354 HydrophobicContact CB-CD1 3.73Å; I337-Y354 HydrophobicContact CB-CE1 3.56Å; I337-Y354 HydrophobicContact CB-CG 4.45Å; I337-Y354 HydrophobicContact CD1-CE1 4.01Å; I337-Y354 HydrophobicContact CD1-CE2 4.5Å; I337-Y354 HydrophobicContact CG1-CE1 4.34Å; I337-Y354 HydrophobicContact CG2-CD1 3.91Å; I337-Y354 HydrophobicContact CG2-CE1 3.52Å; I337-Y354 VanDerWaalsContact O-CA 3.32Å; I337-Y354 WeakPolarHBondContact O-CA 3.46Å; N346-Y354 HydrophobicContact CB-CD1 3.72Å; N346-Y354 HydrophobicContact CB-CD2 4.28Å; N346-Y354 HydrophobicContact CB-CE1 3.55Å; N346-Y354 HydrophobicContact CB-CE2 4.13Å; N346-Y354 HydrophobicContact CB-CG 4.08Å; N346-Y354 WeakPolarHBondContact ND2-CB 3.48Å; N346-Y354 WeakPolarHBondContact ND2-CD1 3.41Å; N346-Y354 WeakPolarHBondContact OD1-CD1 3.2Å; F348-Y354 PolarHBondContact N-OH 3.11Å; F348-Y354 VanDerWaalsContact N-OH 3.11Å; F348-Y354 WeakPolarHBondContact O-CE2 3.34Å; F352-Y354 HydrophobicContact CB-CD2 4.29Å; F352-Y354 HydrophobicContact CB-CE2 3.94Å; F352-Y354 HydrophobicContact CD2-CE2 4.36Å; F352-Y354 WeakPolarHBondContact O-CD2 3.18Å
355	H	96.6	Very high	88	Confident	57 Å²	57	63 Å²	63	26%	0.264	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.8	160.5	-174.3	83.5	0	0	0	109.3	I337 L338 N339 F377	I337-H355 PolarHBondContact O-N 2.9Å; I337-H355 VanDerWaalsContact O-N 3.08Å; L338-H355 HydrophobicContact CD1-CB 4.17Å; N339-H355 PolarHBondContact N-O 3.38Å; H355-F377 HydrophobicContact CB-CB 4.47Å; H355-F377 HydrophobicContact CB-CD1 3.95Å; H355-F377 HydrophobicContact CB-CD2 3.56Å; H355-F377 HydrophobicContact CB-CE1 3.98Å; H355-F377 HydrophobicContact CB-CE2 3.6Å; H355-F377 HydrophobicContact CB-CG 3.73Å; H355-F377 HydrophobicContact CB-CZ 3.8Å
356	N	94.1	Very high	88.5	Confident	49 Å²	49	61.9 Å²	61.9	26%	0.262	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.1	-169.8	-73.3	86.8	0	0	0	111.5	N339 N346 R358	N339-N356 PolarHBondContact ND2-ND2 3.15Å; N339-N356 VanDerWaalsContact ND2-ND2 3.2Å; N339-N356 CarbonylContact O-C 3.51Å; N339-N356 WeakPolarHBondContact O-CA 3.48Å; N346-N356 PolarHBondContact ND2-OD1 3.17Å; N346-N356 PolarHBondContact OD1-ND2 2.71Å; N346-N356 PolarHBondContact OD1-OD1 3.26Å; N356-R358 HydrophobicContact CB-CG 4.36Å
357	V	93.8	Very high	88.9	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.018	34%	0.335	C	S	.	.			trans	-102.8	96.7	169.9	180	0	0	0	0	107.4	L338 N339 I340 T341 V359 L367 H370 T374	L338-V357 HydrophobicContact CD1-CG2 4.49Å; N339-V357 PolarHBondContact O-N 2.6Å; I340-V357 CarbonylContact C-O 3.53Å; I340-V357 HydrophobicContact CG1-CB 4.46Å; I340-V357 HydrophobicContact CG2-CB 4.2Å; I340-V357 HydrophobicContact CG2-CG1 4.3Å; T341-V357 PolarHBondContact N-O 2.88Å; V357-V359 VanDerWaalsContact C-N 3.34Å; V357-V359 HydrophobicContact CG1-CG1 4.06Å; V357-V359 HydrophobicContact CG1-CG2 4.13Å; V357-V359 PolarHBondContact O-N 2.89Å; V357-L367 HydrophobicContact CG1-CD2 4.04Å; V357-H370 HydrophobicContact CG1-CB 3.99Å; V357-H370 HydrophobicContact CG2-CB 4.19Å; V357-T374 HydrophobicContact CG2-CG2 3.68Å
358	R	91.8	Very high	89.7	Confident	101 Å²	101	59.1 Å²	59.1	38%	0.381	33%	0.332	S	S	.	.			trans	-81.1	69.4	-166.6	-68.3	-60.1	-165.1	136.8	-1.3	113.6	T341 R342 I344 D345 N356	T341-R358 WeakPolarHBondContact O-CA 3.34Å; T341-R358 WeakPolarHBondContact O-CD 3.45Å; R342-R358 PolarHBondContact O-NH1 3.32Å; R342-R358 VanDerWaalsContact O-NH1 3.08Å; I344-R358 PolarHBondContact O-NH1 2.88Å; D345-R358 IonicContact OD1-CZ 2.63Å; D345-R358 VanDerWaalsContact OD1-CZ 3.22Å; D345-R358 IonicContact OD1-NH1 2.69Å; D345-R358 PolarHBondContact OD1-NH1 2.85Å; D345-R358 IonicContact OD1-NH2 3.97Å; D345-R358 PolarHBondContact OD1-NH2 2.87Å; N356-R358 HydrophobicContact CB-CG 4.36Å
359	V	86.3	Confident	90.1	Very high	21 Å²	21	60 Å²	60	13%	0.127	35%	0.348	C	S	.	.			trans	-126	154.5	-175.6	-57.5	0	0	0	0	114.8	I340 T341 R342 V357 T365 L367 R398	I340-V359 HydrophobicContact CG2-CG2 4.13Å; T341-V359 CarbonylContact C-O 3.56Å; T341-V359 WeakPolarHBondContact CA-O 3.26Å; R342-V359 PolarHBondContact N-O 2.9Å; V357-V359 VanDerWaalsContact C-N 3.34Å; V357-V359 HydrophobicContact CG1-CG1 4.06Å; V357-V359 HydrophobicContact CG1-CG2 4.13Å; V357-V359 PolarHBondContact O-N 2.89Å; V359-T365 HydrophobicContact CB-CG2 3.54Å; V359-T365 HydrophobicContact CG1-CG2 3.93Å; V359-T365 HydrophobicContact CG2-CG2 3.83Å; V359-L367 HydrophobicContact CG2-CD2 3.78Å; V359-R398 PolarHBondContact O-NH1 3.17Å
360	Y	88.1	Confident	91	Very high	98 Å²	98	58.5 Å²	58.5	38%	0.384	33%	0.332	S	S	.	.			trans	-88.3	170	173.5	-64.1	-52.9	0	0	0	111.9	R342 E343 E362 T365 R398	R342-Y360 HydrophobicContact CB-CD1 3.81Å; R342-Y360 HydrophobicContact CB-CE1 3.67Å; R342-Y360 HydrophobicContact CB-CG 4.38Å; R342-Y360 HydrophobicContact CG-CD1 4.49Å; R342-Y360 HydrophobicContact CG-CE1 3.93Å; R342-Y360 HydrophobicContact CG-CE2 4.44Å; E343-Y360 HydrophobicContact CB-CE1 4.33Å; Y360-E362 VanDerWaalsContact C-N 3.31Å; Y360-E362 WeakPolarHBondContact CB-OE1 3.3Å; Y360-E362 WeakPolarHBondContact CD2-OE1 3.2Å; Y360-E362 PolarHBondContact O-N 3.03Å; Y360-T365 PolarHBondContact O-OG1 3.48Å; Y360-R398 WeakPolarHBondContact O-CD 3.39Å
361	D	88.4	Confident	91.9	Very high	60 Å²	60	54.7 Å²	54.7	32%	0.321	29%	0.292	S	S	.	.	S	Bend	trans	-91.2	54	-177	-133	-46.1	0	0	0	112.1	S397 R398 F435	D361-S397 WeakPolarHBondContact OD1-CB 3.3Å; D361-S397 PolarHBondContact OD1-OG 3.44Å; D361-R398 HydrophobicContact CB-CG 4.38Å; D361-R398 IonicContact OD2-CZ 2.88Å; D361-R398 IonicContact OD2-NE 3.97Å; D361-R398 PolarHBondContact OD2-NE 3.1Å; D361-R398 IonicContact OD2-NH2 3.44Å; D361-R398 PolarHBondContact OD2-NH2 3.35Å; D361-F435 WeakPolarHBondContact OD1-CE2 3.48Å
362	E	87.4	Confident	92.5	Very high	103 Å²	103	53.4 Å²	53.4	48%	0.481	29%	0.287	S	S	.	.			trans	-112.9	142.7	-171.9	-64	168.3	-150.6	0	0	111.4	Y360 A364 T365 N432	Y360-E362 VanDerWaalsContact C-N 3.31Å; Y360-E362 WeakPolarHBondContact CB-OE1 3.3Å; Y360-E362 WeakPolarHBondContact CD2-OE1 3.2Å; Y360-E362 PolarHBondContact O-N 3.03Å; E362-A364 PolarHBondContact O-N 2.79Å; E362-T365 VanDerWaalsContact O-CB 3.23Å; E362-T365 WeakPolarHBondContact O-CB 3.42Å; E362-T365 PolarHBondContact O-N 2.87Å; E362-T365 PolarHBondContact O-OG1 2.84Å; E362-N432 PolarHBondContact O-ND2 2.81Å
363	D	85.4	Confident	92.6	Very high	81 Å²	81	56.3 Å²	56.3	43%	0.433	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.5	-178.9	-68.7	-55.3	0	0	0	114.5	N432 A433 G434	D363-N432 VanDerWaalsContact OD1-CB 3.27Å; D363-N432 WeakPolarHBondContact OD1-CB 3.41Å; D363-N432 PolarHBondContact OD1-OD1 2.93Å; D363-A433 WeakPolarHBondContact OD1-CA 3.38Å; D363-A433 PolarHBondContact OD1-N 3.14Å; D363-G434 WeakPolarHBondContact O-CA 3.19Å; D363-G434 PolarHBondContact OD1-N 3.12Å
364	A	87.4	Confident	92.7	Very high	98 Å²	98	54.4 Å²	54.4	81%	0.81	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.1	175.2	0	0	0	0	0	113.7	E362	E362-A364 PolarHBondContact O-N 2.79Å
365	T	91.4	Very high	92.7	Very high	18 Å²	18	54.9 Å²	54.9	11%	0.11	29%	0.292	C	S	.	.			trans	-76.7	130	177.6	-72	0	0	0	0	110.9	V359 Y360 E362 L367 F435 Q438	V359-T365 HydrophobicContact CB-CG2 3.54Å; V359-T365 HydrophobicContact CG1-CG2 3.93Å; V359-T365 HydrophobicContact CG2-CG2 3.83Å; Y360-T365 PolarHBondContact O-OG1 3.48Å; E362-T365 VanDerWaalsContact O-CB 3.23Å; E362-T365 WeakPolarHBondContact O-CB 3.42Å; E362-T365 PolarHBondContact O-N 2.87Å; E362-T365 PolarHBondContact O-OG1 2.84Å; T365-L367 HydrophobicContact CG2-CG 4.48Å; T365-F435 HydrophobicContact CG2-CE1 3.9Å; T365-F435 HydrophobicContact CG2-CZ 4.09Å; T365-F435 WeakPolarHBondContact O-CE1 3.3Å; T365-Q438 PolarHBondContact O-NE2 2.94Å
366	D	93.2	Very high	92.8	Very high	85 Å²	85	55.3 Å²	55.3	46%	0.455	30%	0.296	S	S	.	.			trans	-81.1	112.8	169	-177.3	-3	0	0	0	110.5	L368 A369	D366-L368 WeakPolarHBondContact OD1-CB 3.48Å; D366-L368 PolarHBondContact OD1-N 3.42Å; D366-A369 PolarHBondContact OD1-N 3.45Å; D366-A369 VanDerWaalsContact OD2-CB 3.28Å; D366-A369 WeakPolarHBondContact OD2-CB 3.44Å
367	L	95.1	Very high	93	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.288	C	S	.	.			trans	-102.6	-23.2	163.5	-79.8	-177.8	0	0	0	112.3	I340 V357 V359 T365 A369 H370 W371 R398 F435	I340-L367 HydrophobicContact CG2-CD2 3.78Å; V357-L367 HydrophobicContact CG1-CD2 4.04Å; V359-L367 HydrophobicContact CG2-CD2 3.78Å; T365-L367 HydrophobicContact CG2-CG 4.48Å; L367-A369 VanDerWaalsContact C-N 3.32Å; L367-A369 PolarHBondContact O-N 3.36Å; L367-H370 PolarHBondContact O-N 2.62Å; L367-W371 HydrophobicContact CB-CZ2 3.68Å; L367-W371 HydrophobicContact CD1-CZ2 4.4Å; L367-W371 PolarHBondContact O-N 2.79Å; L367-R398 HydrophobicContact CD1-CG 4.39Å; L367-F435 HydrophobicContact CB-CD1 4.24Å; L367-F435 HydrophobicContact CB-CE1 4.26Å; L367-F435 HydrophobicContact CD1-CD1 3.68Å; L367-F435 HydrophobicContact CD1-CD2 3.98Å; L367-F435 HydrophobicContact CD1-CE1 3.55Å; L367-F435 HydrophobicContact CD1-CE2 3.87Å; L367-F435 HydrophobicContact CD1-CG 3.91Å; L367-F435 HydrophobicContact CD1-CZ 3.66Å; L367-F435 HydrophobicContact CG-CD1 4Å; L367-F435 HydrophobicContact CG-CE1 3.63Å; L367-F435 HydrophobicContact CG-CZ 4.04Å
368	L	94.8	Very high	93.2	Very high	32 Å²	32	53.7 Å²	53.7	17%	0.168	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-53.2	-46.2	-179.7	179.7	61.4	0	0	0	112.2	D366 H370 W371 Q438 E441 Y442 I445	D366-L368 WeakPolarHBondContact OD1-CB 3.48Å; D366-L368 PolarHBondContact OD1-N 3.42Å; L368-H370 PolarHBondContact O-N 3.38Å; L368-W371 HydrophobicContact CB-CE3 4.43Å; L368-W371 HydrophobicContact CB-CZ3 4.3Å; L368-W371 HydrophobicContact CD1-CE3 3.82Å; L368-W371 HydrophobicContact CD1-CZ3 3.85Å; L368-W371 PolarHBondContact O-N 3.09Å; L368-Q438 HydrophobicContact CB-CB 4.25Å; L368-Q438 HydrophobicContact CB-CG 4.26Å; L368-Q438 VanDerWaalsContact N-OE1 3.17Å; L368-E441 HydrophobicContact CD2-CB 4.45Å; L368-E441 VanDerWaalsContact CD2-CD 3.42Å; L368-E441 HydrophobicContact CD2-CG 4.02Å; L368-Y442 HydrophobicContact CD1-CD2 3.69Å; L368-Y442 HydrophobicContact CD1-CG 4.09Å; L368-I445 HydrophobicContact CD1-CD1 4.23Å; L368-I445 HydrophobicContact CD2-CD1 4.36Å
369	A	94.4	Very high	93.4	Very high	63 Å²	63	49.8 Å²	49.8	52%	0.521	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.7	177.4	0	0	0	0	0	113.6	D366 L367	D366-A369 PolarHBondContact OD1-N 3.45Å; D366-A369 VanDerWaalsContact OD2-CB 3.28Å; D366-A369 WeakPolarHBondContact OD2-CB 3.44Å; L367-A369 VanDerWaalsContact C-N 3.32Å; L367-A369 PolarHBondContact O-N 3.36Å
370	H	96.3	Very high	93.9	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.315	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-96.2	-19.7	-177.1	-66.5	-56.8	0	0	0	114.1	V357 L367 L368 N372 D373 T374	V357-H370 HydrophobicContact CG1-CB 3.99Å; V357-H370 HydrophobicContact CG2-CB 4.19Å; L367-H370 PolarHBondContact O-N 2.62Å; L368-H370 PolarHBondContact O-N 3.38Å; H370-N372 PolarHBondContact O-N 2.87Å; H370-N372 VanDerWaalsContact O-N 3.1Å; H370-D373 PolarHBondContact O-N 3.49Å; H370-T374 PolarHBondContact O-N 2.83Å
371	W	96.8	Very high	94.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-21	-173.6	-71.7	-25.8	0	0	0	115.4	L367 L368 T374 Y375 T402 A405 Q438 L439 Y442	L367-W371 HydrophobicContact CB-CZ2 3.68Å; L367-W371 HydrophobicContact CD1-CZ2 4.4Å; L367-W371 PolarHBondContact O-N 2.79Å; L368-W371 HydrophobicContact CB-CE3 4.43Å; L368-W371 HydrophobicContact CB-CZ3 4.3Å; L368-W371 HydrophobicContact CD1-CE3 3.82Å; L368-W371 HydrophobicContact CD1-CZ3 3.85Å; L368-W371 PolarHBondContact O-N 3.09Å; W371-T374 WeakPolarHBondContact CA-OG1 3.37Å; W371-T374 PolarHBondContact O-OG1 3.22Å; W371-Y375 WeakPolarHBondContact O-CB 3.32Å; W371-Y375 PolarHBondContact O-N 3.11Å; W371-T402 PolarHBondContact NE1-OG1 2.87Å; W371-A405 HydrophobicContact CB-CB 4.19Å; W371-A405 HydrophobicContact CD2-CB 3.44Å; W371-A405 VanDerWaalsContact CD2-CB 3.44Å; W371-A405 HydrophobicContact CE3-CB 3.79Å; W371-A405 HydrophobicContact CG-CB 3.61Å; W371-A405 HydrophobicContact CZ2-CB 4.46Å; W371-A405 HydrophobicContact CZ3-CB 4.45Å; W371-Q438 HydrophobicContact CH2-CB 3.66Å; W371-Q438 HydrophobicContact CZ3-CB 4.01Å; W371-Q438 WeakPolarHBondContact CZ3-O 3.31Å; W371-L439 HydrophobicContact CE3-CD2 4.5Å; W371-L439 HydrophobicContact CH2-CB 4.38Å; W371-L439 HydrophobicContact CH2-CD2 3.59Å; W371-L439 HydrophobicContact CH2-CG 3.62Å; W371-L439 HydrophobicContact CZ2-CD2 3.98Å; W371-L439 HydrophobicContact CZ2-CG 4.18Å; W371-L439 HydrophobicContact CZ3-CD2 3.87Å; W371-L439 HydrophobicContact CZ3-CG 4.21Å; W371-Y442 HydrophobicContact CB-CE2 4.46Å; W371-Y442 HydrophobicContact CE3-CD1 4.03Å; W371-Y442 HydrophobicContact CE3-CD2 4.13Å; W371-Y442 AromaticContact CE3-CG 3.8Å; W371-Y442 HydrophobicContact CE3-CG 3.8Å; W371-Y442 HydrophobicContact CZ3-CG 4.18Å
372	N	94.9	Very high	94.7	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-43.5	171	-171.7	66.6	0	0	0	112.3	H370 N376 K409	H370-N372 PolarHBondContact O-N 2.87Å; H370-N372 VanDerWaalsContact O-N 3.1Å; N372-N376 PolarHBondContact ND2-ND2 3.39Å; N372-N376 PolarHBondContact O-N 3.24Å; N372-N376 PolarHBondContact O-ND2 3.13Å; N372-K409 PolarHBondContact OD1-NZ 2.71Å
373	D	96.1	Very high	95.1	Very high	80 Å²	80	51.2 Å²	51.2	43%	0.428	28%	0.276	S	S	.	.	H	α-helix	trans	-77.4	-37.9	-176	-67.8	-16.5	0	0	0	111.7	H370 Y375 N376 F377	H370-D373 PolarHBondContact O-N 3.49Å; D373-Y375 VanDerWaalsContact C-N 3.35Å; D373-N376 PolarHBondContact O-N 2.75Å; D373-F377 PolarHBondContact O-N 3.07Å
374	T	97.5	Very high	95.6	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-39.5	172.8	62.4	0	0	0	0	111.9	L338 V357 H370 W371 F377 I378 T402	L338-T374 HydrophobicContact CD1-CG2 3.92Å; L338-T374 HydrophobicContact CD2-CG2 3.95Å; V357-T374 HydrophobicContact CG2-CG2 3.68Å; H370-T374 PolarHBondContact O-N 2.83Å; W371-T374 WeakPolarHBondContact CA-OG1 3.37Å; W371-T374 PolarHBondContact O-OG1 3.22Å; T374-F377 PolarHBondContact O-N 2.83Å; T374-I378 WeakPolarHBondContact O-CG1 3.42Å; T374-I378 PolarHBondContact O-N 3.36Å; T374-T402 HydrophobicContact CG2-CG2 4.03Å; T374-T402 WeakPolarHBondContact OG1-CG2 3.47Å
375	Y	97.6	Very high	95.9	Very high	49 Å²	49	54.8 Å²	54.8	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-49.3	171.6	168.6	-91	0	0	0	111.4	W371 D373 F377 I378 V379 Y406 K409 E410	W371-Y375 WeakPolarHBondContact O-CB 3.32Å; W371-Y375 PolarHBondContact O-N 3.11Å; D373-Y375 VanDerWaalsContact C-N 3.35Å; Y375-F377 PolarHBondContact O-N 3.27Å; Y375-I378 PolarHBondContact O-N 3.47Å; Y375-V379 HydrophobicContact CD1-CG2 4.22Å; Y375-V379 HydrophobicContact CD2-CG2 4.18Å; Y375-V379 HydrophobicContact CE1-CG2 3.83Å; Y375-V379 HydrophobicContact CE2-CG2 3.76Å; Y375-V379 HydrophobicContact CG-CG2 4.4Å; Y375-V379 WeakPolarHBondContact O-CG2 3.25Å; Y375-V379 PolarHBondContact O-N 3.22Å; Y375-Y406 AromaticContact CD2-CD2 3.59Å; Y375-Y406 HydrophobicContact CD2-CD2 3.59Å; Y375-Y406 AromaticContact CD2-CE2 3.75Å; Y375-Y406 HydrophobicContact CD2-CE2 3.75Å; Y375-Y406 HydrophobicContact CE2-CD2 4.25Å; Y375-Y406 AromaticContact CE2-CE2 3.98Å; Y375-Y406 HydrophobicContact CE2-CE2 3.98Å; Y375-Y406 HydrophobicContact CG-CD2 4.46Å; Y375-K409 HydrophobicContact CD1-CD 3.65Å; Y375-K409 HydrophobicContact CD2-CB 4.04Å; Y375-K409 HydrophobicContact CD2-CD 3.44Å; Y375-K409 VanDerWaalsContact CD2-CD 3.44Å; Y375-K409 HydrophobicContact CD2-CG 4.18Å; Y375-K409 HydrophobicContact CE1-CD 3.84Å; Y375-K409 HydrophobicContact CE2-CB 4.11Å; Y375-K409 HydrophobicContact CE2-CD 3.64Å; Y375-K409 HydrophobicContact CE2-CG 4.08Å; Y375-K409 HydrophobicContact CG-CD 3.44Å; Y375-K409 VanDerWaalsContact CG-CD 3.44Å; Y375-E410 HydrophobicContact CE2-CB 4.18Å; Y375-E410 WeakPolarHBondContact CE2-OE2 3.46Å
376	N	97.6	Very high	96.1	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-35.7	179.1	-68.9	-28.9	0	0	0	112	N372 D373 K380	N372-N376 PolarHBondContact ND2-ND2 3.39Å; N372-N376 PolarHBondContact O-N 3.24Å; N372-N376 PolarHBondContact O-ND2 3.13Å; D373-N376 PolarHBondContact O-N 2.75Å; N376-K380 WeakPolarHBondContact O-CB 3.4Å; N376-K380 PolarHBondContact O-N 3.31Å
377	F	98.1	Very high	96.3	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-44.6	175.2	-175.5	-100.8	0	0	0	113	Y336 L338 S353 H355 D373 T374 Y375 K380 A381	Y336-F377 HydrophobicContact CD1-CD2 4.5Å; Y336-F377 HydrophobicContact CD1-CE1 4.29Å; Y336-F377 AromaticContact CD1-CE2 3.86Å; Y336-F377 HydrophobicContact CD1-CE2 3.86Å; Y336-F377 AromaticContact CD1-CZ 3.75Å; Y336-F377 HydrophobicContact CD1-CZ 3.75Å; Y336-F377 HydrophobicContact CG-CZ 4.41Å; L338-F377 HydrophobicContact CB-CD1 4.04Å; L338-F377 HydrophobicContact CB-CE1 3.97Å; S353-F377 WeakPolarHBondContact O-CZ 3.23Å; H355-F377 HydrophobicContact CB-CB 4.47Å; H355-F377 HydrophobicContact CB-CD1 3.95Å; H355-F377 HydrophobicContact CB-CD2 3.56Å; H355-F377 HydrophobicContact CB-CE1 3.98Å; H355-F377 HydrophobicContact CB-CE2 3.6Å; H355-F377 HydrophobicContact CB-CG 3.73Å; H355-F377 HydrophobicContact CB-CZ 3.8Å; D373-F377 PolarHBondContact O-N 3.07Å; T374-F377 PolarHBondContact O-N 2.83Å; Y375-F377 PolarHBondContact O-N 3.27Å; F377-K380 WeakPolarHBondContact O-CB 3.04Å; F377-K380 PolarHBondContact O-N 3.37Å; F377-A381 PolarHBondContact O-N 2.94Å; F377-A381 VanDerWaalsContact O-N 3.09Å
378	I	97.8	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-41.6	176.4	-64.5	162.4	0	0	0	110.8	V315 L338 T374 Y375 K380 A381 K382 V390 Y406	V315-I378 HydrophobicContact CG2-CG2 3.64Å; L338-I378 HydrophobicContact CD2-CD1 4.07Å; L338-I378 HydrophobicContact CD2-CG1 4.26Å; T374-I378 WeakPolarHBondContact O-CG1 3.42Å; T374-I378 PolarHBondContact O-N 3.36Å; Y375-I378 PolarHBondContact O-N 3.47Å; I378-K380 VanDerWaalsContact C-N 3.31Å; I378-K380 PolarHBondContact O-N 3.16Å; I378-A381 WeakPolarHBondContact O-CB 3.19Å; I378-A381 PolarHBondContact O-N 2.85Å; I378-K382 PolarHBondContact O-N 2.95Å; I378-V390 HydrophobicContact CD1-CG2 4Å; I378-V390 HydrophobicContact CG1-CG2 4.27Å; I378-Y406 HydrophobicContact CB-CD2 3.94Å; I378-Y406 HydrophobicContact CB-CE2 3.93Å; I378-Y406 HydrophobicContact CD1-CD2 3.85Å; I378-Y406 HydrophobicContact CD1-CG 3.99Å; I378-Y406 HydrophobicContact CG2-CD2 3.77Å; I378-Y406 HydrophobicContact CG2-CE1 4.22Å; I378-Y406 HydrophobicContact CG2-CE2 3.47Å; I378-Y406 VanDerWaalsContact CG2-CE2 3.47Å; I378-Y406 HydrophobicContact CG2-CG 4.32Å
379	V	97.1	Very high	96.6	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.109	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-33.4	174.5	172.6	0	0	0	0	111.7	Y375 K382 K383 Y406 E410	Y375-V379 HydrophobicContact CD1-CG2 4.22Å; Y375-V379 HydrophobicContact CD2-CG2 4.18Å; Y375-V379 HydrophobicContact CE1-CG2 3.83Å; Y375-V379 HydrophobicContact CE2-CG2 3.76Å; Y375-V379 HydrophobicContact CG-CG2 4.4Å; Y375-V379 WeakPolarHBondContact O-CG2 3.25Å; Y375-V379 PolarHBondContact O-N 3.22Å; V379-K382 WeakPolarHBondContact O-CB 3.43Å; V379-K382 PolarHBondContact O-N 3.42Å; V379-K383 HydrophobicContact CG1-CD 4.02Å; V379-K383 HydrophobicContact CG1-CG 4.31Å; V379-K383 WeakPolarHBondContact O-CB 3.33Å; V379-K383 WeakPolarHBondContact O-CG 3.49Å; V379-K383 PolarHBondContact O-N 2.84Å; V379-Y406 HydrophobicContact CG2-CE2 4.14Å; V379-E410 WeakPolarHBondContact CG2-OE2 3.32Å
380	K	97.1	Very high	96.8	Very high	105 Å²	105	49.6 Å²	49.6	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-39.2	172.4	-178.4	-178.3	170.4	-175.7	0	112	Y336 N376 F377 I378 N384	Y336-K380 HydrophobicContact CE1-CD 4.19Å; Y336-K380 HydrophobicContact CE1-CG 4.14Å; N376-K380 WeakPolarHBondContact O-CB 3.4Å; N376-K380 PolarHBondContact O-N 3.31Å; F377-K380 WeakPolarHBondContact O-CB 3.04Å; F377-K380 PolarHBondContact O-N 3.37Å; I378-K380 VanDerWaalsContact C-N 3.31Å; I378-K380 PolarHBondContact O-N 3.16Å; K380-N384 WeakPolarHBondContact O-CB 3.33Å; K380-N384 VanDerWaalsContact O-CG 3.29Å; K380-N384 PolarHBondContact O-N 3.27Å; K380-N384 PolarHBondContact O-ND2 3.43Å
381	A	96.4	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-51.7	172.9	0	0	0	0	0	110.7	Y336 F377 I378 K383 N384 N385 S386 C388	Y336-A381 HydrophobicContact CD1-CB 4Å; Y336-A381 HydrophobicContact CD2-CB 3.56Å; Y336-A381 HydrophobicContact CE2-CB 4.27Å; Y336-A381 HydrophobicContact CG-CB 3.45Å; Y336-A381 VanDerWaalsContact CG-CB 3.45Å; F377-A381 PolarHBondContact O-N 2.94Å; F377-A381 VanDerWaalsContact O-N 3.09Å; I378-A381 WeakPolarHBondContact O-CB 3.19Å; I378-A381 PolarHBondContact O-N 2.85Å; A381-K383 PolarHBondContact O-N 2.92Å; A381-N384 CarbonylContact O-C 3.15Å; A381-N384 PolarHBondContact O-N 3.39Å; A381-N385 PolarHBondContact O-N 2.86Å; A381-S386 CarbonylContact C-O 3.56Å; A381-S386 PolarHBondContact O-N 3.46Å; A381-S386 VanDerWaalsContact O-N 3.14Å; A381-C388 HydrophobicContact CB-CB 3.88Å
382	K	96.1	Very high	96.7	Very high	83 Å²	83	46.3 Å²	46.3	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-51.7	-51.4	177.3	-166	-171	-174.4	-169.3	0	112.5	H314 I378 V379 N384 N385 E410	H314-K382 HydrophobicContact CB-CG 4.43Å; I378-K382 PolarHBondContact O-N 2.95Å; V379-K382 WeakPolarHBondContact O-CB 3.43Å; V379-K382 PolarHBondContact O-N 3.42Å; K382-N384 PolarHBondContact O-N 2.78Å; K382-N385 PolarHBondContact O-N 3.16Å; K382-N385 VanDerWaalsContact O-N 3.11Å; K382-E410 IonicContact NZ-OE1 3.41Å; K382-E410 PolarHBondContact NZ-OE1 2.86Å
383	K	96.3	Very high	96.1	Very high	125 Å²	125	43.9 Å²	43.9	54%	0.543	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-23.7	179.6	-76.2	176.5	176	176	0	113.8	V379 A381 N385 N510	V379-K383 HydrophobicContact CG1-CD 4.02Å; V379-K383 HydrophobicContact CG1-CG 4.31Å; V379-K383 WeakPolarHBondContact O-CB 3.33Å; V379-K383 WeakPolarHBondContact O-CG 3.49Å; V379-K383 PolarHBondContact O-N 2.84Å; A381-K383 PolarHBondContact O-N 2.92Å; K383-N385 VanDerWaalsContact C-N 3.34Å; K383-N510 PolarHBondContact NZ-OD1 2.98Å
384	N	95.1	Very high	95.5	Very high	89 Å²	89	42.7 Å²	42.7	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	19.6	178.4	-66.6	-20.9	0	0	0	112.3	Y336 K380 A381 K382 S386	Y336-N384 HydrophobicContact CE2-CB 4.48Å; Y336-N384 PolarHBondContact OH-ND2 3.3Å; K380-N384 WeakPolarHBondContact O-CB 3.33Å; K380-N384 VanDerWaalsContact O-CG 3.29Å; K380-N384 PolarHBondContact O-N 3.27Å; K380-N384 PolarHBondContact O-ND2 3.43Å; A381-N384 CarbonylContact O-C 3.15Å; A381-N384 PolarHBondContact O-N 3.39Å; K382-N384 PolarHBondContact O-N 2.78Å; N384-S386 PolarHBondContact O-N 3.26Å; N384-S386 VanDerWaalsContact O-N 3.1Å
385	N	93.9	Very high	95.1	Very high	165 Å²	165	42.5 Å²	42.5	88%	0.882	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	34.9	-177.9	-67.2	-22.4	0	0	0	113.6	A381 K382 K383	A381-N385 PolarHBondContact O-N 2.86Å; K382-N385 PolarHBondContact O-N 3.16Å; K382-N385 VanDerWaalsContact O-N 3.11Å; K383-N385 VanDerWaalsContact C-N 3.34Å
386	S	96.1	Very high	94.6	Very high	28 Å²	28	42 Å²	42	20%	0.196	21%	0.208	C	C	.	.			trans	-129.1	151.3	-175	-172.3	0	0	0	0	110.5	G335 A381 N384	G335-S386 VanDerWaalsContact CA-OG 3.31Å; G335-S386 WeakPolarHBondContact CA-OG 3.07Å; G335-S386 PolarHBondContact N-OG 2.99Å; A381-S386 CarbonylContact C-O 3.56Å; A381-S386 PolarHBondContact O-N 3.46Å; A381-S386 VanDerWaalsContact O-N 3.14Å; N384-S386 PolarHBondContact O-N 3.26Å; N384-S386 VanDerWaalsContact O-N 3.1Å
387	K	97.5	Very high	94.4	Very high	60 Å²	60	39.3 Å²	39.3	26%	0.261	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.8	-176.8	-50	-173.7	-174.6	162.2	0	111.6	D313 H314 Y316 C332 G333 V334 G335 Y336	D313-K387 WeakPolarHBondContact O-CD 3.09Å; D313-K387 VanDerWaalsContact O-CE 3.28Å; D313-K387 WeakPolarHBondContact O-CE 3.48Å; H314-K387 WeakPolarHBondContact O-CA 3.35Å; Y316-K387 HydrophobicContact CD2-CB 4.36Å; Y316-K387 HydrophobicContact CD2-CD 4.31Å; Y316-K387 HydrophobicContact CE2-CB 4.35Å; Y316-K387 HydrophobicContact CE2-CD 3.56Å; C332-K387 VanDerWaalsContact O-CD 3.31Å; C332-K387 WeakPolarHBondContact O-CD 3.47Å; C332-K387 WeakPolarHBondContact O-CE 3.42Å; C332-K387 PolarHBondContact O-NZ 2.74Å; G333-K387 WeakPolarHBondContact O-CB 3.44Å; G333-K387 PolarHBondContact O-N 3.24Å; V334-K387 WeakPolarHBondContact CA-O 3.29Å; V334-K387 HydrophobicContact CG2-CB 4.46Å; G335-K387 PolarHBondContact N-O 3.27Å; Y336-K387 PolarHBondContact N-O 3.01Å
388	C	98.1	Very high	94.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.8	174.1	-166.9	0	0	0	0	110.5	H314 Y316 Y336 A381	H314-C388 PolarHBondContact O-N 3.35Å; Y316-C388 PolarHBondContact N-O 3.19Å; Y336-C388 CarbonylContact O-C 3.6Å; Y336-C388 VanDerWaalsContact O-CA 3.24Å; Y336-C388 WeakPolarHBondContact O-CA 3.17Å; A381-C388 HydrophobicContact CB-CB 3.88Å
389	L	98.2	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.8	159.1	175.8	63.6	0	0	0	108.8	A308 N322 A323 L329 V334 Y336 I337 L338 H391	A308-L389 HydrophobicContact CB-CD1 4.18Å; N322-L389 HydrophobicContact CB-CD2 4.15Å; A323-L389 HydrophobicContact CB-CD2 4.01Å; L329-L389 HydrophobicContact CD2-CB 4.29Å; L329-L389 HydrophobicContact CD2-CD2 3.71Å; V334-L389 HydrophobicContact CG1-CB 4.04Å; Y336-L389 PolarHBondContact O-N 3.08Å; I337-L389 WeakPolarHBondContact CA-O 3.23Å; I337-L389 HydrophobicContact CG1-CB 4.47Å; L338-L389 PolarHBondContact N-O 2.68Å; L389-H391 HydrophobicContact CG-CB 4.39Å
390	V	98.4	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.4	170.9	-173	0	0	0	0	107.9	V315 Y316 L317 G318 L338 I340 I378 V403	V315-V390 HydrophobicContact CG1-CG2 4.05Å; Y316-V390 PolarHBondContact O-N 3.15Å; L317-V390 WeakPolarHBondContact CA-O 3.49Å; G318-V390 PolarHBondContact N-O 3.36Å; G318-V390 VanDerWaalsContact N-O 3.14Å; L338-V390 HydrophobicContact CB-CG1 4.42Å; L338-V390 HydrophobicContact CB-CG2 4.27Å; L338-V390 HydrophobicContact CD2-CG1 3.82Å; L338-V390 HydrophobicContact CD2-CG2 4.08Å; L338-V390 HydrophobicContact CG-CG1 4.11Å; I340-V390 HydrophobicContact CD1-CG1 3.48Å; I340-V390 VanDerWaalsContact CD1-CG1 3.48Å; I378-V390 HydrophobicContact CD1-CG2 4Å; I378-V390 HydrophobicContact CG1-CG2 4.27Å; V390-V403 HydrophobicContact CB-CG2 3.77Å; V390-V403 HydrophobicContact CG1-CG2 3.83Å; V390-V403 HydrophobicContact CG2-CG2 4Å
391	H	96.4	Very high	94.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.4	-175.6	85.8	96.3	0	0	0	113.9	G318 A323 L338 N339 I340 L389 S399	G318-H391 VanDerWaalsContact O-CA 3.3Å; G318-H391 WeakPolarHBondContact O-CA 3.49Å; G318-H391 WeakPolarHBondContact O-CB 3.32Å; A323-H391 HydrophobicContact CB-CB 4.48Å; L338-H391 PolarHBondContact O-CD2 2.98Å; L338-H391 PolarHBondContact O-N 3.29Å; N339-H391 VanDerWaalsContact CB-NE2 3.32Å; N339-H391 WeakPolarHBondContact CB-NE2 3.15Å; I340-H391 PolarHBondContact N-O 2.93Å; L389-H391 HydrophobicContact CG-CB 4.39Å; H391-S399 VanDerWaalsContact C-CB 3.46Å
392	C	93.5	Very high	94.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.164	C	C	.	.			trans	-126.3	-148.9	162.6	71.1	0	0	0	0	109	S319 E320 I340 T341 G395 R398 S399	S319-C392 CarbonylContact C-O 3.12Å; E320-C392 PolarHBondContact N-O 3.07Å; I340-C392 WeakPolarHBondContact O-CB 2.95Å; T341-C392 HydrophobicContact CG2-CB 4Å; C392-G395 PolarHBondContact SG-N 3.3Å; C392-R398 HydrophobicContact CB-CB 3.67Å; C392-S399 PolarHBondContact N-OG 2.86Å; C392-S399 PolarHBondContact SG-OG 3.45Å; C392-S399 VanDerWaalsContact SG-OG 3.41Å
393	K	84	Confident	94.6	Very high	30 Å²	30	28.9 Å²	28.9	13%	0.13	15%	0.147	C	C	.	.	S	Bend	trans	-62.7	-76.9	168.5	-170.9	-171	-179.7	-173.3	0	110.4	D266 E268 S319 E320 I344	D266-K393 IonicContact OD1-NZ 2.77Å; D266-K393 PolarHBondContact OD1-NZ 3.27Å; D266-K393 IonicContact OD2-NZ 2.94Å; E268-K393 VanDerWaalsContact CD-NZ 3.25Å; E268-K393 VanDerWaalsContact OE2-CE 3.23Å; E268-K393 WeakPolarHBondContact OE2-CE 3.18Å; E268-K393 IonicContact OE2-NZ 3.53Å; E268-K393 PolarHBondContact OE2-NZ 3.24Å; S319-K393 VanDerWaalsContact CA-O 3.27Å; S319-K393 WeakPolarHBondContact CA-O 3.37Å; S319-K393 WeakPolarHBondContact CB-O 3.11Å; E320-K393 PolarHBondContact N-O 3.02Å; E320-K393 WeakPolarHBondContact OE1-CG 3.19Å; I344-K393 HydrophobicContact CD1-CB 3.98Å; I344-K393 HydrophobicContact CD1-CG 4.19Å
394	M	82.2	Confident	94.7	Very high	54 Å²	54	22.9 Å²	22.9	27%	0.266	12%	0.121	S	C	.	.	S	Bend	trans	-88.6	-5.7	-174.2	-57.6	-56.9	-69.4	0	0	115.3	L267 V396 R426	L267-M394 HydrophobicContact CD1-CE 4.29Å; M394-V396 HydrophobicContact CB-CB 4.27Å; M394-V396 HydrophobicContact CB-CG2 3.91Å; M394-V396 PolarHBondContact O-N 3.06Å; M394-R426 PolarHBondContact O-NH2 3.42Å
395	G	89.5	Confident	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	66.4	20.9	-172.9	0	0	0	0	0	114.7	G318 C392 S399 R426	G318-G395 WeakPolarHBondContact O-CA 3.44Å; C392-G395 PolarHBondContact SG-N 3.3Å; G395-S399 WeakPolarHBondContact CA-OG 3.17Å; G395-R426 PolarHBondContact O-NE 3.17Å
396	V	87.7	Confident	95	Very high	39 Å²	39	11 Å²	11	24%	0.236	6%	0.058	C	C	.	.	S	Bend	trans	-100.2	-54.9	-173.5	166.9	0	0	0	0	112.1	M394 A400 I428 Q430	M394-V396 HydrophobicContact CB-CB 4.27Å; M394-V396 HydrophobicContact CB-CG2 3.91Å; M394-V396 PolarHBondContact O-N 3.06Å; V396-A400 WeakPolarHBondContact O-CB 3.26Å; V396-I428 WeakPolarHBondContact CG1-O 3.23Å; V396-I428 HydrophobicContact CG2-CD1 4.14Å; V396-I428 HydrophobicContact CG2-CG1 4.38Å; V396-Q430 HydrophobicContact CG1-CB 3.99Å; V396-Q430 CarbonylContact O-C 3.53Å; V396-Q430 PolarHBondContact O-N 2.68Å
397	S	93.3	Very high	95.1	Very high	8 Å²	8	9.7 Å²	9.7	6%	0.056	5%	0.048	C	C	.	.	S	Bend	trans	-107.5	-81.4	-169.4	167.9	0	0	0	0	113.2	D361 S399 A400 S401 Q430 N432 F435	D361-S397 WeakPolarHBondContact OD1-CB 3.3Å; D361-S397 PolarHBondContact OD1-OG 3.44Å; S397-S399 PolarHBondContact O-N 3.03Å; S397-A400 PolarHBondContact O-N 3.46Å; S397-A400 VanDerWaalsContact O-N 3.16Å; S397-S401 WeakPolarHBondContact O-CB 3.1Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 PolarHBondContact O-OG 3.25Å; S397-Q430 WeakPolarHBondContact CA-O 3.47Å; S397-Q430 WeakPolarHBondContact CB-O 3.49Å; S397-N432 PolarHBondContact OG-N 3.01Å; S397-F435 WeakPolarHBondContact OG-CD2 3.38Å; S397-F435 WeakPolarHBondContact OG-CE2 3.37Å
398	R	96.9	Very high	95.1	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.015	4%	0.036	C	C	.	.	H	α-helix	trans	-46.6	-49.2	-176.2	-82.8	171.5	-70.7	178.3	-1.4	115.3	I340 E343 V359 Y360 D361 L367 C392 T402 F435	I340-R398 HydrophobicContact CB-CB 4.46Å; I340-R398 HydrophobicContact CG2-CB 3.89Å; I340-R398 HydrophobicContact CG2-CG 4.37Å; I340-R398 WeakPolarHBondContact O-CD 3.41Å; E343-R398 IonicContact OE1-CZ 2.79Å; E343-R398 IonicContact OE1-NH1 2.82Å; E343-R398 PolarHBondContact OE1-NH1 2.86Å; E343-R398 IonicContact OE1-NH2 2.76Å; E343-R398 PolarHBondContact OE1-NH2 3.21Å; E343-R398 IonicContact OE2-CZ 3.27Å; E343-R398 IonicContact OE2-NH1 3.22Å; E343-R398 PolarHBondContact OE2-NH1 2.68Å; V359-R398 PolarHBondContact O-NH1 3.17Å; Y360-R398 WeakPolarHBondContact O-CD 3.39Å; D361-R398 HydrophobicContact CB-CG 4.38Å; D361-R398 IonicContact OD2-CZ 2.88Å; D361-R398 IonicContact OD2-NE 3.97Å; D361-R398 PolarHBondContact OD2-NE 3.1Å; D361-R398 IonicContact OD2-NH2 3.44Å; D361-R398 PolarHBondContact OD2-NH2 3.35Å; L367-R398 HydrophobicContact CD1-CG 4.39Å; C392-R398 HydrophobicContact CB-CB 3.67Å; R398-T402 PolarHBondContact O-N 2.92Å; R398-T402 PolarHBondContact O-OG1 3.46Å; R398-T402 VanDerWaalsContact O-OG1 3.12Å; R398-F435 HydrophobicContact CB-CE2 4.38Å; R398-F435 HydrophobicContact CG-CE2 3.59Å; R398-F435 HydrophobicContact CG-CZ 3.81Å
399	S	97.1	Very high	95	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-75.6	-38	-178.6	53.6	0	0	0	0	113.2	L317 H391 C392 G395 S397 S401 T402 V403	L317-S399 WeakPolarHBondContact CD1-OG 3.49Å; H391-S399 VanDerWaalsContact C-CB 3.46Å; C392-S399 PolarHBondContact N-OG 2.86Å; C392-S399 PolarHBondContact SG-OG 3.45Å; C392-S399 VanDerWaalsContact SG-OG 3.41Å; G395-S399 WeakPolarHBondContact CA-OG 3.17Å; S397-S399 PolarHBondContact O-N 3.03Å; S399-S401 VanDerWaalsContact C-N 3.34Å; S399-S401 PolarHBondContact O-N 3.14Å; S399-T402 PolarHBondContact O-N 3.06Å; S399-V403 WeakPolarHBondContact O-CG2 3.34Å; S399-V403 PolarHBondContact O-N 3.47Å
400	A	97	Very high	94.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-46	173.8	0	0	0	0	0	110.8	L317 V396 S397 T402 V403 I404 A429	L317-A400 HydrophobicContact CD2-CB 4.15Å; V396-A400 WeakPolarHBondContact O-CB 3.26Å; S397-A400 PolarHBondContact O-N 3.46Å; S397-A400 VanDerWaalsContact O-N 3.16Å; A400-T402 VanDerWaalsContact C-N 3.29Å; A400-T402 PolarHBondContact O-N 3.37Å; A400-V403 PolarHBondContact O-N 3.31Å; A400-V403 VanDerWaalsContact O-N 3.1Å; A400-I404 WeakPolarHBondContact O-CD1 3.46Å; A400-I404 VanDerWaalsContact O-CG1 3.23Å; A400-I404 WeakPolarHBondContact O-CG1 3.35Å; A400-I404 PolarHBondContact O-N 2.87Å; A400-A429 HydrophobicContact CB-CB 3.92Å
401	S	98.1	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-53.5	-46.5	176.2	-49.6	0	0	0	0	111.7	S397 S399 I404 A405 P431 F435	S397-S401 WeakPolarHBondContact O-CB 3.1Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 PolarHBondContact O-OG 3.25Å; S399-S401 VanDerWaalsContact C-N 3.34Å; S399-S401 PolarHBondContact O-N 3.14Å; S401-I404 PolarHBondContact O-N 2.84Å; S401-A405 PolarHBondContact O-N 2.95Å; S401-P431 WeakPolarHBondContact OG-CB 3.22Å; S401-F435 WeakPolarHBondContact OG-CB 3.4Å; S401-F435 WeakPolarHBondContact OG-CD2 3.43Å
402	T	98.3	Very high	94.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-70.6	-31.7	179.7	-58.6	0	0	0	0	113.1	L338 I340 W371 T374 R398 S399 A400 Y406	L338-T402 HydrophobicContact CD2-CG2 4.11Å; I340-T402 HydrophobicContact CD1-CG2 3.79Å; I340-T402 WeakPolarHBondContact CD1-OG1 3.18Å; W371-T402 PolarHBondContact NE1-OG1 2.87Å; T374-T402 HydrophobicContact CG2-CG2 4.03Å; T374-T402 WeakPolarHBondContact OG1-CG2 3.47Å; R398-T402 PolarHBondContact O-N 2.92Å; R398-T402 PolarHBondContact O-OG1 3.46Å; R398-T402 VanDerWaalsContact O-OG1 3.12Å; S399-T402 PolarHBondContact O-N 3.06Å; A400-T402 VanDerWaalsContact C-N 3.29Å; A400-T402 PolarHBondContact O-N 3.37Å; T402-Y406 WeakPolarHBondContact O-CB 3.5Å; T402-Y406 PolarHBondContact O-N 3.42Å
403	V	98.3	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.5	-32.9	172.7	174.2	0	0	0	0	111.9	I311 V315 L317 V390 S399 A400 Y406 A407 V422	I311-V403 HydrophobicContact CB-CG1 4.29Å; I311-V403 HydrophobicContact CG1-CG1 4.18Å; I311-V403 HydrophobicContact CG2-CG1 3.93Å; V315-V403 HydrophobicContact CG1-CG1 4.49Å; V315-V403 HydrophobicContact CG1-CG2 4.27Å; L317-V403 HydrophobicContact CB-CG2 4.45Å; L317-V403 HydrophobicContact CD1-CG2 4.14Å; V390-V403 HydrophobicContact CB-CG2 3.77Å; V390-V403 HydrophobicContact CG1-CG2 3.83Å; V390-V403 HydrophobicContact CG2-CG2 4Å; S399-V403 WeakPolarHBondContact O-CG2 3.34Å; S399-V403 PolarHBondContact O-N 3.47Å; A400-V403 PolarHBondContact O-N 3.31Å; A400-V403 VanDerWaalsContact O-N 3.1Å; V403-Y406 WeakPolarHBondContact O-CB 3.48Å; V403-Y406 PolarHBondContact O-N 3.08Å; V403-A407 WeakPolarHBondContact O-CB 3.3Å; V403-A407 PolarHBondContact O-N 3.41Å; V403-V422 HydrophobicContact CG1-CG2 4.06Å
404	I	98.4	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-49.9	172.4	-66.2	160	0	0	0	109.7	A400 S401 Y406 A407 M408 L415 A418 Y419 V422 P431 L439	A400-I404 WeakPolarHBondContact O-CD1 3.46Å; A400-I404 VanDerWaalsContact O-CG1 3.23Å; A400-I404 WeakPolarHBondContact O-CG1 3.35Å; A400-I404 PolarHBondContact O-N 2.87Å; S401-I404 PolarHBondContact O-N 2.84Å; I404-Y406 VanDerWaalsContact C-N 3.29Å; I404-Y406 PolarHBondContact O-N 2.85Å; I404-A407 WeakPolarHBondContact O-CB 3.23Å; I404-A407 PolarHBondContact O-N 3.31Å; I404-M408 HydrophobicContact CG2-CG 4.49Å; I404-M408 HydrophobicContact CG2-SD 3.88Å; I404-M408 VanDerWaalsContact O-CG 3.3Å; I404-M408 WeakPolarHBondContact O-CG 3.46Å; I404-M408 PolarHBondContact O-N 3.07Å; I404-L415 HydrophobicContact CG2-CD1 3.84Å; I404-A418 HydrophobicContact CG2-CB 3.83Å; I404-Y419 HydrophobicContact CD1-CD2 3.87Å; I404-V422 HydrophobicContact CG1-CB 3.97Å; I404-V422 HydrophobicContact CG1-CG1 4.25Å; I404-V422 HydrophobicContact CG1-CG2 3.84Å; I404-P431 HydrophobicContact CD1-CG 3.84Å; I404-L439 HydrophobicContact CB-CD1 4.35Å; I404-L439 HydrophobicContact CB-CD2 4.36Å; I404-L439 HydrophobicContact CD1-CD1 4.47Å; I404-L439 HydrophobicContact CG2-CD1 4.02Å; I404-L439 HydrophobicContact CG2-CD2 4.03Å
405	A	98.1	Very high	96.1	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-39.4	174.5	0	0	0	0	0	112.5	W371 S401 K409 L439 Y442	W371-A405 HydrophobicContact CB-CB 4.19Å; W371-A405 HydrophobicContact CD2-CB 3.44Å; W371-A405 VanDerWaalsContact CD2-CB 3.44Å; W371-A405 HydrophobicContact CE3-CB 3.79Å; W371-A405 HydrophobicContact CG-CB 3.61Å; W371-A405 HydrophobicContact CZ2-CB 4.46Å; W371-A405 HydrophobicContact CZ3-CB 4.45Å; S401-A405 PolarHBondContact O-N 2.95Å; A405-K409 PolarHBondContact O-N 2.98Å; A405-K409 VanDerWaalsContact O-N 3.15Å; A405-L439 HydrophobicContact CB-CD2 3.8Å; A405-Y442 HydrophobicContact CB-CD1 4.07Å; A405-Y442 HydrophobicContact CB-CE1 3.92Å; A405-Y442 WeakPolarHBondContact O-CE1 3.42Å
406	Y	98.3	Very high	96.4	Very high	3 Å²	3	26 Å²	26	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-48.6	171.3	173.1	-95.7	0	0	0	111.6	F312 H314 V315 Y375 I378 V379 T402 V403 I404 M408 K409 E410 Y411	F312-Y406 HydrophobicContact CD2-CD1 4.18Å; F312-Y406 AromaticContact CD2-CE1 3.99Å; F312-Y406 HydrophobicContact CD2-CE1 3.99Å; F312-Y406 HydrophobicContact CE2-CD1 4.05Å; F312-Y406 HydrophobicContact CE2-CE1 4.19Å; H314-Y406 PolarHBondContact CE1-OH 3.1Å; H314-Y406 AromaticContact NE2-CE1 3.97Å; H314-Y406 AromaticContact NE2-CZ 3.61Å; H314-Y406 PolarHBondContact NE2-OH 2.85Å; V315-Y406 HydrophobicContact CG2-CD1 4.44Å; V315-Y406 HydrophobicContact CG2-CE1 4Å; Y375-Y406 AromaticContact CD2-CD2 3.59Å; Y375-Y406 HydrophobicContact CD2-CD2 3.59Å; Y375-Y406 AromaticContact CD2-CE2 3.75Å; Y375-Y406 HydrophobicContact CD2-CE2 3.75Å; Y375-Y406 HydrophobicContact CE2-CD2 4.25Å; Y375-Y406 AromaticContact CE2-CE2 3.98Å; Y375-Y406 HydrophobicContact CE2-CE2 3.98Å; Y375-Y406 HydrophobicContact CG-CD2 4.46Å; I378-Y406 HydrophobicContact CB-CD2 3.94Å; I378-Y406 HydrophobicContact CB-CE2 3.93Å; I378-Y406 HydrophobicContact CD1-CD2 3.85Å; I378-Y406 HydrophobicContact CD1-CG 3.99Å; I378-Y406 HydrophobicContact CG2-CD2 3.77Å; I378-Y406 HydrophobicContact CG2-CE1 4.22Å; I378-Y406 HydrophobicContact CG2-CE2 3.47Å; I378-Y406 VanDerWaalsContact CG2-CE2 3.47Å; I378-Y406 HydrophobicContact CG2-CG 4.32Å; V379-Y406 HydrophobicContact CG2-CE2 4.14Å; T402-Y406 WeakPolarHBondContact O-CB 3.5Å; T402-Y406 PolarHBondContact O-N 3.42Å; V403-Y406 WeakPolarHBondContact O-CB 3.48Å; V403-Y406 PolarHBondContact O-N 3.08Å; I404-Y406 VanDerWaalsContact C-N 3.29Å; I404-Y406 PolarHBondContact O-N 2.85Å; Y406-M408 PolarHBondContact O-N 2.92Å; Y406-K409 PolarHBondContact O-N 2.92Å; Y406-E410 HydrophobicContact CE1-CB 4.08Å; Y406-E410 HydrophobicContact CE1-CG 4.23Å; Y406-E410 HydrophobicContact CE2-CB 4.12Å; Y406-E410 HydrophobicContact CE2-CG 4.44Å; Y406-E410 WeakPolarHBondContact O-CB 3.01Å; Y406-E410 PolarHBondContact O-N 2.91Å; Y406-E410 VanDerWaalsContact OH-CG 3.26Å; Y406-E410 WeakPolarHBondContact OH-CG 3.37Å; Y406-E410 PolarHBondContact OH-OE1 2.82Å; Y406-E410 PolarHBondContact OH-OE2 2.9Å; Y406-Y411 HydrophobicContact CE1-CE2 4.24Å
407	A	97.7	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-40.5	-178.9	0	0	0	0	0	113	F312 V403 I404 K409 Y411 W413 A418	F312-A407 HydrophobicContact CE2-CB 3.92Å; F312-A407 HydrophobicContact CZ-CB 3.67Å; V403-A407 WeakPolarHBondContact O-CB 3.3Å; V403-A407 PolarHBondContact O-N 3.41Å; I404-A407 WeakPolarHBondContact O-CB 3.23Å; I404-A407 PolarHBondContact O-N 3.31Å; A407-K409 VanDerWaalsContact C-N 3.34Å; A407-K409 PolarHBondContact O-N 3.28Å; A407-Y411 HydrophobicContact CB-CD2 4.5Å; A407-Y411 PolarHBondContact O-N 2.66Å; A407-Y411 VanDerWaalsContact O-N 3.08Å; A407-W413 HydrophobicContact CB-CE3 4.26Å; A407-W413 HydrophobicContact CB-CZ3 4.49Å; A407-A418 HydrophobicContact CB-CB 4.09Å
408	M	97.7	Very high	97.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-42.1	175.3	-65.8	163.2	68.8	0	0	111.6	I404 Y406 G412 W413 L415 A418 L439 Y442 E443 L446	I404-M408 HydrophobicContact CG2-CG 4.49Å; I404-M408 HydrophobicContact CG2-SD 3.88Å; I404-M408 VanDerWaalsContact O-CG 3.3Å; I404-M408 WeakPolarHBondContact O-CG 3.46Å; I404-M408 PolarHBondContact O-N 3.07Å; Y406-M408 PolarHBondContact O-N 2.92Å; M408-G412 CarbonylContact O-C 3.6Å; M408-G412 WeakPolarHBondContact O-CA 3.33Å; M408-G412 PolarHBondContact O-N 2.78Å; M408-G412 VanDerWaalsContact O-N 3.13Å; M408-W413 WeakPolarHBondContact CA-O 3.32Å; M408-W413 PolarHBondContact O-N 3Å; M408-L415 HydrophobicContact CE-CB 3.93Å; M408-L415 HydrophobicContact SD-CB 4.28Å; M408-L415 HydrophobicContact SD-CD1 4.1Å; M408-A418 HydrophobicContact CG-CB 3.61Å; M408-L439 WeakPolarHBondContact CE-O 3.4Å; M408-L439 HydrophobicContact SD-CD2 4.05Å; M408-Y442 HydrophobicContact CE-CD1 4.43Å; M408-E443 HydrophobicContact CE-CB 3.61Å; M408-E443 HydrophobicContact CE-CG 4.17Å; M408-L446 HydrophobicContact CB-CD1 3.94Å
409	K	96.1	Very high	97.1	Very high	53 Å²	53	31.3 Å²	31.3	23%	0.23	15%	0.154	C	C	.	.	H	α-helix	trans	-76.6	-46.7	-178.9	-159.3	-165.6	-152.8	-179	0	113.2	N372 Y375 A405 Y406 A407 Y442 L446	N372-K409 PolarHBondContact OD1-NZ 2.71Å; Y375-K409 HydrophobicContact CD1-CD 3.65Å; Y375-K409 HydrophobicContact CD2-CB 4.04Å; Y375-K409 HydrophobicContact CD2-CD 3.44Å; Y375-K409 VanDerWaalsContact CD2-CD 3.44Å; Y375-K409 HydrophobicContact CD2-CG 4.18Å; Y375-K409 HydrophobicContact CE1-CD 3.84Å; Y375-K409 HydrophobicContact CE2-CB 4.11Å; Y375-K409 HydrophobicContact CE2-CD 3.64Å; Y375-K409 HydrophobicContact CE2-CG 4.08Å; Y375-K409 HydrophobicContact CG-CD 3.44Å; Y375-K409 VanDerWaalsContact CG-CD 3.44Å; A405-K409 PolarHBondContact O-N 2.98Å; A405-K409 VanDerWaalsContact O-N 3.15Å; Y406-K409 PolarHBondContact O-N 2.92Å; A407-K409 VanDerWaalsContact C-N 3.34Å; A407-K409 PolarHBondContact O-N 3.28Å; K409-Y442 HydrophobicContact CB-CE1 4.44Å; K409-Y442 VanDerWaalsContact CD-OH 3.31Å; K409-Y442 WeakPolarHBondContact CD-OH 3.42Å; K409-L446 HydrophobicContact CB-CD1 4.35Å; K409-L446 HydrophobicContact CB-CD2 4.38Å; K409-L446 HydrophobicContact CG-CD2 3.86Å
410	E	95.8	Very high	97.1	Very high	46 Å²	46	35.1 Å²	35.1	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-45.5	-176.4	-178.7	83.7	-175.7	0	0	112	Y375 V379 K382 Y406	Y375-E410 HydrophobicContact CE2-CB 4.18Å; Y375-E410 WeakPolarHBondContact CE2-OE2 3.46Å; V379-E410 WeakPolarHBondContact CG2-OE2 3.32Å; K382-E410 IonicContact NZ-OE1 3.41Å; K382-E410 PolarHBondContact NZ-OE1 2.86Å; Y406-E410 HydrophobicContact CE1-CB 4.08Å; Y406-E410 HydrophobicContact CE1-CG 4.23Å; Y406-E410 HydrophobicContact CE2-CB 4.12Å; Y406-E410 HydrophobicContact CE2-CG 4.44Å; Y406-E410 WeakPolarHBondContact O-CB 3.01Å; Y406-E410 PolarHBondContact O-N 2.91Å; Y406-E410 VanDerWaalsContact OH-CG 3.26Å; Y406-E410 WeakPolarHBondContact OH-CG 3.37Å; Y406-E410 PolarHBondContact OH-OE1 2.82Å; Y406-E410 PolarHBondContact OH-OE2 2.9Å
411	Y	94.6	Very high	97.1	Very high	88 Å²	88	38.1 Å²	38.1	35%	0.345	19%	0.186	S	C	.	.	H	α-helix	trans	-106.3	2.9	-172.3	-55.1	-79.2	0	0	0	113.5	F312 Y406 A407 W413	F312-Y411 AromaticContact CD1-CE2 3.67Å; F312-Y411 HydrophobicContact CD1-CE2 3.67Å; F312-Y411 AromaticContact CD1-CZ 3.8Å; F312-Y411 WeakPolarHBondContact CD1-OH 3.25Å; F312-Y411 HydrophobicContact CD2-CE2 4.18Å; F312-Y411 HydrophobicContact CE1-CD2 4.01Å; F312-Y411 AromaticContact CE1-CE2 3.4Å; F312-Y411 HydrophobicContact CE1-CE2 3.4Å; F312-Y411 AromaticContact CE1-CZ 3.92Å; F312-Y411 AromaticContact CE2-CE2 3.95Å; F312-Y411 HydrophobicContact CE2-CE2 3.95Å; F312-Y411 HydrophobicContact CG-CE2 4.07Å; F312-Y411 AromaticContact CZ-CD2 3.99Å; F312-Y411 HydrophobicContact CZ-CD2 3.99Å; F312-Y411 AromaticContact CZ-CE2 3.55Å; F312-Y411 HydrophobicContact CZ-CE2 3.55Å; Y406-Y411 HydrophobicContact CE1-CE2 4.24Å; A407-Y411 HydrophobicContact CB-CD2 4.5Å; A407-Y411 PolarHBondContact O-N 2.66Å; A407-Y411 VanDerWaalsContact O-N 3.08Å; Y411-W413 HydrophobicContact CG-CZ2 4.3Å; Y411-W413 PolarHBondContact O-N 3.17Å
412	G	93.7	Very high	97	Very high	42 Å²	42	38.1 Å²	38.1	43%	0.433	19%	0.186	S	C	.	.			trans	65.6	19.3	179.7	0	0	0	0	0	114.6	M408	M408-G412 CarbonylContact O-C 3.6Å; M408-G412 WeakPolarHBondContact O-CA 3.33Å; M408-G412 PolarHBondContact O-N 2.78Å; M408-G412 VanDerWaalsContact O-N 3.13Å
413	W	96.8	Very high	96.7	Very high	50 Å²	50	40.7 Å²	40.7	19%	0.189	20%	0.198	C	C	.	.			trans	-75.3	151.3	-176	-66.1	-0.9	0	0	0	112.4	F312 A407 M408 Y411 K417 A418 Y421	F312-W413 AromaticContact CE1-CH2 3.95Å; F312-W413 HydrophobicContact CE1-CH2 3.95Å; F312-W413 HydrophobicContact CE1-CZ3 4.22Å; F312-W413 HydrophobicContact CZ-CH2 4.36Å; F312-W413 HydrophobicContact CZ-CZ3 4.16Å; A407-W413 HydrophobicContact CB-CE3 4.26Å; A407-W413 HydrophobicContact CB-CZ3 4.49Å; M408-W413 WeakPolarHBondContact CA-O 3.32Å; M408-W413 PolarHBondContact O-N 3Å; Y411-W413 HydrophobicContact CG-CZ2 4.3Å; Y411-W413 PolarHBondContact O-N 3.17Å; W413-K417 HydrophobicContact CB-CB 4.4Å; W413-K417 HydrophobicContact CB-CD 4.03Å; W413-K417 HydrophobicContact CB-CG 4.34Å; W413-K417 VanDerWaalsContact CD1-NZ 3.28Å; W413-K417 HydrophobicContact CD2-CD 4.01Å; W413-K417 HydrophobicContact CD2-CG 4.22Å; W413-K417 HydrophobicContact CE3-CG 4.31Å; W413-K417 HydrophobicContact CG-CD 3.71Å; W413-K417 HydrophobicContact CG-CG 4.24Å; W413-K417 VanDerWaalsContact NE1-NZ 3.15Å; W413-A418 HydrophobicContact CB-CB 4.42Å; W413-A418 HydrophobicContact CE3-CB 4.34Å; W413-Y421 HydrophobicContact CH2-CD1 4.15Å; W413-Y421 AromaticContact CH2-CD2 3.99Å; W413-Y421 HydrophobicContact CH2-CD2 3.99Å; W413-Y421 HydrophobicContact CH2-CE1 4.34Å; W413-Y421 HydrophobicContact CH2-CE2 4.18Å; W413-Y421 AromaticContact CH2-CG 3.97Å; W413-Y421 HydrophobicContact CH2-CG 3.97Å; W413-Y421 AromaticContact CZ3-CD1 3.78Å; W413-Y421 HydrophobicContact CZ3-CD1 3.78Å; W413-Y421 HydrophobicContact CZ3-CD2 4.07Å; W413-Y421 HydrophobicContact CZ3-CE1 4.39Å; W413-Y421 AromaticContact CZ3-CG 3.6Å; W413-Y421 HydrophobicContact CZ3-CG 3.6Å
414	S	96.9	Very high	96.4	Very high	51 Å²	51	48.6 Å²	48.6	36%	0.357	23%	0.234	S	C	.	.			trans	-67.8	159.6	167.5	55.4	0	0	0	0	112	E416 K417 A418 E443	S414-E416 PolarHBondContact O-N 2.82Å; S414-K417 PolarHBondContact O-N 3.43Å; S414-K417 WeakPolarHBondContact OG-CB 3.29Å; S414-A418 WeakPolarHBondContact O-CB 3.4Å; S414-A418 PolarHBondContact O-N 3.29Å; S414-E443 WeakPolarHBondContact CA-OE1 3.33Å; S414-E443 WeakPolarHBondContact CB-OE1 3.47Å
415	L	97.5	Very high	96.1	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-50.6	176.6	171.4	51	0	0	0	111.1	I404 M408 K417 A418 Y419 M436 L439 A440 E443	I404-L415 HydrophobicContact CG2-CD1 3.84Å; M408-L415 HydrophobicContact CE-CB 3.93Å; M408-L415 HydrophobicContact SD-CB 4.28Å; M408-L415 HydrophobicContact SD-CD1 4.1Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.18Å; L415-A418 PolarHBondContact O-N 3.2Å; L415-Y419 VanDerWaalsContact O-CB 3.29Å; L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.87Å; L415-M436 HydrophobicContact CD1-CE 4.38Å; L415-M436 HydrophobicContact CD2-CE 4.39Å; L415-L439 HydrophobicContact CD1-CB 3.65Å; L415-L439 HydrophobicContact CD1-CD1 3.93Å; L415-L439 HydrophobicContact CD1-CG 4.27Å; L415-L439 HydrophobicContact CD2-CB 3.91Å; L415-L439 HydrophobicContact CG-CB 4.42Å; L415-A440 HydrophobicContact CD2-CB 3.98Å; L415-E443 VanDerWaalsContact CB-OE2 3.27Å; L415-E443 WeakPolarHBondContact CB-OE2 3.4Å; L415-E443 PolarHBondContact N-OE1 3.36Å
416	E	96.7	Very high	95.7	Very high	140 Å²	140	52.9 Å²	52.9	65%	0.654	25%	0.252	S	S	*	.	H	α-helix	trans	-54.5	-49.3	178.4	-175.1	-167.7	-178.5	0	0	111.4	S414 A418 N420	S414-E416 PolarHBondContact O-N 2.82Å; E416-A418 PolarHBondContact O-N 3.48Å; E416-N420 VanDerWaalsContact O-CB 3.23Å; E416-N420 WeakPolarHBondContact O-CB 3.15Å; E416-N420 VanDerWaalsContact O-CG 3.24Å; E416-N420 PolarHBondContact O-N 2.91Å; E416-N420 PolarHBondContact O-ND2 2.92Å
417	K	97.5	Very high	94.9	Very high	108 Å²	108	55.3 Å²	55.3	47%	0.47	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-43	-179.5	-177.6	-178.8	177.3	-168.7	0	111.9	W413 S414 L415 Y421	W413-K417 HydrophobicContact CB-CB 4.4Å; W413-K417 HydrophobicContact CB-CD 4.03Å; W413-K417 HydrophobicContact CB-CG 4.34Å; W413-K417 VanDerWaalsContact CD1-NZ 3.28Å; W413-K417 HydrophobicContact CD2-CD 4.01Å; W413-K417 HydrophobicContact CD2-CG 4.22Å; W413-K417 HydrophobicContact CE3-CG 4.31Å; W413-K417 HydrophobicContact CG-CD 3.71Å; W413-K417 HydrophobicContact CG-CG 4.24Å; W413-K417 VanDerWaalsContact NE1-NZ 3.15Å; S414-K417 PolarHBondContact O-N 3.43Å; S414-K417 WeakPolarHBondContact OG-CB 3.29Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.18Å; K417-Y421 WeakPolarHBondContact O-CB 3.44Å; K417-Y421 PolarHBondContact O-N 2.78Å
418	A	97.9	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-43.5	179.9	0	0	0	0	0	112.2	I404 A407 M408 W413 S414 L415 E416 Y421 V422	I404-A418 HydrophobicContact CG2-CB 3.83Å; A407-A418 HydrophobicContact CB-CB 4.09Å; M408-A418 HydrophobicContact CG-CB 3.61Å; W413-A418 HydrophobicContact CB-CB 4.42Å; W413-A418 HydrophobicContact CE3-CB 4.34Å; S414-A418 WeakPolarHBondContact O-CB 3.4Å; S414-A418 PolarHBondContact O-N 3.29Å; L415-A418 PolarHBondContact O-N 3.2Å; E416-A418 PolarHBondContact O-N 3.48Å; A418-Y421 PolarHBondContact O-N 2.63Å; A418-V422 WeakPolarHBondContact O-CG2 3.22Å; A418-V422 PolarHBondContact O-N 2.73Å
419	Y	97.5	Very high	93.7	Very high	56 Å²	56	57.2 Å²	57.2	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-51.8	172.8	172.9	-106.3	0	0	0	111.1	I404 L415 Y421 V422 K423	I404-Y419 HydrophobicContact CD1-CD2 3.87Å; L415-Y419 VanDerWaalsContact O-CB 3.29Å; L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.87Å; Y419-Y421 VanDerWaalsContact C-N 3.31Å; Y419-Y421 PolarHBondContact O-N 2.67Å; Y419-V422 PolarHBondContact O-N 2.8Å; Y419-K423 VanDerWaalsContact O-CB 3.23Å; Y419-K423 WeakPolarHBondContact O-CB 3.35Å; Y419-K423 PolarHBondContact O-N 3.48Å
420	N	96.8	Very high	93.4	Very high	79 Å²	79	59.4 Å²	59.4	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-36.3	-179	-74.1	-20.9	0	0	0	112.4	E416 Q424	E416-N420 VanDerWaalsContact O-CB 3.23Å; E416-N420 WeakPolarHBondContact O-CB 3.15Å; E416-N420 VanDerWaalsContact O-CG 3.24Å; E416-N420 PolarHBondContact O-N 2.91Å; E416-N420 PolarHBondContact O-ND2 2.92Å; N420-Q424 VanDerWaalsContact O-CB 3.29Å; N420-Q424 WeakPolarHBondContact O-CB 3.19Å; N420-Q424 PolarHBondContact O-N 3.3Å
421	Y	97.6	Very high	93.3	Very high	64 Å²	64	57.8 Å²	57.8	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-48.2	173.4	-174.8	-95.4	0	0	0	112.5	I311 F312 W413 K417 A418 Y419 K423 Q424 K425	I311-Y421 HydrophobicContact CG2-CD1 4.17Å; I311-Y421 HydrophobicContact CG2-CE1 3.89Å; I311-Y421 PolarHBondContact O-OH 2.84Å; F312-Y421 HydrophobicContact CD1-CE1 4.16Å; F312-Y421 HydrophobicContact CE1-CD1 4.15Å; F312-Y421 AromaticContact CE1-CE1 3.54Å; F312-Y421 HydrophobicContact CE1-CE1 3.54Å; F312-Y421 HydrophobicContact CZ-CD1 4.14Å; F312-Y421 AromaticContact CZ-CE1 3.92Å; F312-Y421 HydrophobicContact CZ-CE1 3.92Å; W413-Y421 HydrophobicContact CH2-CD1 4.15Å; W413-Y421 AromaticContact CH2-CD2 3.99Å; W413-Y421 HydrophobicContact CH2-CD2 3.99Å; W413-Y421 HydrophobicContact CH2-CE1 4.34Å; W413-Y421 HydrophobicContact CH2-CE2 4.18Å; W413-Y421 AromaticContact CH2-CG 3.97Å; W413-Y421 HydrophobicContact CH2-CG 3.97Å; W413-Y421 AromaticContact CZ3-CD1 3.78Å; W413-Y421 HydrophobicContact CZ3-CD1 3.78Å; W413-Y421 HydrophobicContact CZ3-CD2 4.07Å; W413-Y421 HydrophobicContact CZ3-CE1 4.39Å; W413-Y421 AromaticContact CZ3-CG 3.6Å; W413-Y421 HydrophobicContact CZ3-CG 3.6Å; K417-Y421 WeakPolarHBondContact O-CB 3.44Å; K417-Y421 PolarHBondContact O-N 2.78Å; A418-Y421 PolarHBondContact O-N 2.63Å; Y419-Y421 VanDerWaalsContact C-N 3.31Å; Y419-Y421 PolarHBondContact O-N 2.67Å; Y421-K423 VanDerWaalsContact C-N 3.33Å; Y421-K423 PolarHBondContact O-N 3.39Å; Y421-Q424 PolarHBondContact O-N 2.78Å; Y421-K425 HydrophobicContact CD1-CG 4.38Å; Y421-K425 HydrophobicContact CE1-CG 4.06Å; Y421-K425 WeakPolarHBondContact O-CG 3.26Å; Y421-K425 PolarHBondContact O-N 3.06Å; Y421-K425 WeakPolarHBondContact OH-CE 3.46Å
422	V	95.9	Very high	93.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-37.8	178.3	174.3	0	0	0	0	110.9	I311 L317 V403 I404 A418 Y419 K425 R426 A429	I311-V422 HydrophobicContact CG2-CG2 4.09Å; L317-V422 HydrophobicContact CD2-CG1 3.75Å; V403-V422 HydrophobicContact CG1-CG2 4.06Å; I404-V422 HydrophobicContact CG1-CB 3.97Å; I404-V422 HydrophobicContact CG1-CG1 4.25Å; I404-V422 HydrophobicContact CG1-CG2 3.84Å; A418-V422 WeakPolarHBondContact O-CG2 3.22Å; A418-V422 PolarHBondContact O-N 2.73Å; Y419-V422 PolarHBondContact O-N 2.8Å; V422-K425 PolarHBondContact O-N 2.89Å; V422-R426 PolarHBondContact O-N 3.15Å; V422-A429 HydrophobicContact CG1-CB 3.99Å
423	K	91	Very high	93.2	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-40.8	174.6	-168.1	65.7	163.8	174.2	0	112.2	Y419 Y421 R426 G427 A429	Y419-K423 VanDerWaalsContact O-CB 3.23Å; Y419-K423 WeakPolarHBondContact O-CB 3.35Å; Y419-K423 PolarHBondContact O-N 3.48Å; Y421-K423 VanDerWaalsContact C-N 3.33Å; Y421-K423 PolarHBondContact O-N 3.39Å; K423-R426 CarbonylContact O-C 3.54Å; K423-G427 VanDerWaalsContact CE-O 3.26Å; K423-G427 WeakPolarHBondContact CE-O 3.5Å; K423-G427 PolarHBondContact NZ-O 3.22Å; K423-G427 WeakPolarHBondContact O-CA 3.42Å; K423-G427 PolarHBondContact O-N 3.41Å; K423-G427 VanDerWaalsContact O-N 3.13Å; K423-A429 WeakPolarHBondContact CD-O 3.3Å; K423-A429 WeakPolarHBondContact CE-O 3.15Å; K423-A429 PolarHBondContact NZ-O 3.15Å
424	Q	92.6	Very high	93.1	Very high	165 Å²	165	53.3 Å²	53.3	77%	0.771	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-40.3	175.5	-174.3	-177.2	51.6	0	0	111.8	N420 Y421	N420-Q424 VanDerWaalsContact O-CB 3.29Å; N420-Q424 WeakPolarHBondContact O-CB 3.19Å; N420-Q424 PolarHBondContact O-N 3.3Å; Y421-Q424 PolarHBondContact O-N 2.78Å
425	K	91.8	Very high	93.1	Very high	84 Å²	84	50.9 Å²	50.9	37%	0.365	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-44.9	175.3	-72.8	-77.7	-163.5	141.3	0	112.5	T309 L310 I311 Y421 V422	T309-K425 HydrophobicContact CG2-CB 4.31Å; T309-K425 WeakPolarHBondContact CG2-O 3.49Å; L310-K425 PolarHBondContact O-NZ 3.42Å; I311-K425 HydrophobicContact CD1-CB 3.57Å; I311-K425 HydrophobicContact CD1-CG 4.23Å; I311-K425 VanDerWaalsContact O-CE 3.31Å; I311-K425 WeakPolarHBondContact O-CE 3.4Å; I311-K425 PolarHBondContact O-NZ 2.78Å; Y421-K425 HydrophobicContact CD1-CG 4.38Å; Y421-K425 HydrophobicContact CE1-CG 4.06Å; Y421-K425 WeakPolarHBondContact O-CG 3.26Å; Y421-K425 PolarHBondContact O-N 3.06Å; Y421-K425 WeakPolarHBondContact OH-CE 3.46Å; V422-K425 PolarHBondContact O-N 2.89Å
426	R	89.4	Confident	93.1	Very high	9 Å²	9	53 Å²	53	3%	0.034	27%	0.27	C	S	.	.			trans	-130	90	-176.8	-171.8	176.8	178.9	86.5	-4.1	108.9	D306 T309 L317 M394 G395 V422 K423 I428 A429	D306-R426 IonicContact OD1-CZ 2.74Å; D306-R426 VanDerWaalsContact OD1-CZ 3.26Å; D306-R426 IonicContact OD1-NH1 3.26Å; D306-R426 PolarHBondContact OD1-NH1 2.89Å; D306-R426 IonicContact OD1-NH2 3.33Å; D306-R426 PolarHBondContact OD1-NH2 3.49Å; D306-R426 IonicContact OD2-CZ 2.73Å; D306-R426 IonicContact OD2-NH1 3.81Å; D306-R426 IonicContact OD2-NH2 2.73Å; D306-R426 PolarHBondContact OD2-NH2 2.98Å; T309-R426 HydrophobicContact CG2-CB 4.1Å; T309-R426 PolarHBondContact OG1-NH1 3.37Å; L317-R426 PolarHBondContact O-NH1 2.83Å; M394-R426 PolarHBondContact O-NH2 3.42Å; G395-R426 PolarHBondContact O-NE 3.17Å; V422-R426 PolarHBondContact O-N 3.15Å; K423-R426 CarbonylContact O-C 3.54Å; R426-I428 HydrophobicContact CG-CG1 3.8Å; R426-I428 PolarHBondContact O-N 3.05Å; R426-A429 HydrophobicContact CB-CB 4.43Å; R426-A429 VanDerWaalsContact O-CB 3.26Å; R426-A429 WeakPolarHBondContact O-CB 3.28Å; R426-A429 PolarHBondContact O-N 2.94Å
427	G	82.3	Confident	93.1	Very high	54 Å²	54	54.4 Å²	54.4	56%	0.557	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.7	-175.6	0	0	0	0	0	115.4	K423	K423-G427 VanDerWaalsContact CE-O 3.26Å; K423-G427 WeakPolarHBondContact CE-O 3.5Å; K423-G427 PolarHBondContact NZ-O 3.22Å; K423-G427 WeakPolarHBondContact O-CA 3.42Å; K423-G427 PolarHBondContact O-N 3.41Å; K423-G427 VanDerWaalsContact O-N 3.13Å
428	I	81.1	Confident	93.1	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.205	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.4	-179.9	70.7	166	0	0	0	113.8	M263 V396 R426 Q430	M263-I428 HydrophobicContact CE-CG2 3.68Å; M263-I428 HydrophobicContact SD-CB 4.38Å; M263-I428 HydrophobicContact SD-CD1 4.4Å; M263-I428 HydrophobicContact SD-CG2 3.46Å; M263-I428 WeakPolarHBondContact SD-CG2 3.44Å; V396-I428 WeakPolarHBondContact CG1-O 3.23Å; V396-I428 HydrophobicContact CG2-CD1 4.14Å; V396-I428 HydrophobicContact CG2-CG1 4.38Å; R426-I428 HydrophobicContact CG-CG1 3.8Å; R426-I428 PolarHBondContact O-N 3.05Å; I428-Q430 PolarHBondContact O-N 3.44Å
429	A	88.9	Confident	93.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.			trans	-61.2	123.6	176.3	0	0	0	0	0	110.3	A400 V422 K423 R426	A400-A429 HydrophobicContact CB-CB 3.92Å; V422-A429 HydrophobicContact CG1-CB 3.99Å; K423-A429 WeakPolarHBondContact CD-O 3.3Å; K423-A429 WeakPolarHBondContact CE-O 3.15Å; K423-A429 PolarHBondContact NZ-O 3.15Å; R426-A429 HydrophobicContact CB-CB 4.43Å; R426-A429 VanDerWaalsContact O-CB 3.26Å; R426-A429 WeakPolarHBondContact O-CB 3.28Å; R426-A429 PolarHBondContact O-N 2.94Å
430	Q	89.8	Confident	93.1	Very high	99 Å²	99	50 Å²	50	46%	0.463	26%	0.261	S	S	.	.			trans	-157.5	89.6	-178	-172.7	164.6	-24.1	0	0	108.9	V396 S397 I428	V396-Q430 HydrophobicContact CG1-CB 3.99Å; V396-Q430 CarbonylContact O-C 3.53Å; V396-Q430 PolarHBondContact O-N 2.68Å; S397-Q430 WeakPolarHBondContact CA-O 3.47Å; S397-Q430 WeakPolarHBondContact CB-O 3.49Å; I428-Q430 PolarHBondContact O-N 3.44Å
431	P	93.8	Very high	93.1	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.078	27%	0.266	C	S	.	.			trans	-53.3	147.4	168.3	-27.6	38	0	0	0	112.3	S401 I404 F435 M436	S401-P431 WeakPolarHBondContact OG-CB 3.22Å; I404-P431 HydrophobicContact CD1-CG 3.84Å; P431-F435 HydrophobicContact CB-CB 4.22Å; P431-M436 HydrophobicContact CB-CG 3.97Å; P431-M436 HydrophobicContact CB-SD 3.75Å; P431-M436 HydrophobicContact CG-SD 3.9Å
432	N	92.5	Very high	93.1	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.134	26%	0.257	C	S	.	.			trans	-69.7	169.7	169.5	75.7	20.6	0	0	0	111.9	E362 D363 S397 G434 F435 M436	E362-N432 PolarHBondContact O-ND2 2.81Å; D363-N432 VanDerWaalsContact OD1-CB 3.27Å; D363-N432 WeakPolarHBondContact OD1-CB 3.41Å; D363-N432 PolarHBondContact OD1-OD1 2.93Å; S397-N432 PolarHBondContact OG-N 3.01Å; N432-G434 VanDerWaalsContact C-N 3.3Å; N432-G434 PolarHBondContact O-N 3.3Å; N432-G434 PolarHBondContact OD1-N 3.46Å; N432-F435 HydrophobicContact CB-CD2 4.46Å; N432-F435 VanDerWaalsContact CG-CD2 3.49Å; N432-F435 WeakPolarHBondContact ND2-CE2 3.31Å; N432-F435 PolarHBondContact O-N 2.76Å; N432-F435 WeakPolarHBondContact OD1-CD2 3.2Å; N432-F435 WeakPolarHBondContact OD1-CG 3.13Å; N432-F435 PolarHBondContact OD1-N 2.84Å; N432-M436 PolarHBondContact O-N 2.63Å
433	A	92.9	Very high	93.1	Very high	62 Å²	62	51.7 Å²	51.7	51%	0.512	27%	0.268	S	S	.	.	H	α-helix	trans	-70.5	-25.6	-174.7	0	0	0	0	0	112.8	D363 R437	D363-A433 WeakPolarHBondContact OD1-CA 3.38Å; D363-A433 PolarHBondContact OD1-N 3.14Å; A433-R437 WeakPolarHBondContact O-CG 3.33Å; A433-R437 PolarHBondContact O-N 2.93Å; A433-R437 PolarHBondContact O-NE 3.05Å; A433-R437 VanDerWaalsContact O-NE 3.16Å
434	G	95.1	Very high	93.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-51.4	168.5	0	0	0	0	0	112.2	D363 N432 R437 Q438	D363-G434 WeakPolarHBondContact O-CA 3.19Å; D363-G434 PolarHBondContact OD1-N 3.12Å; N432-G434 VanDerWaalsContact C-N 3.3Å; N432-G434 PolarHBondContact O-N 3.3Å; N432-G434 PolarHBondContact OD1-N 3.46Å; G434-R437 PolarHBondContact O-N 3.48Å; G434-Q438 WeakPolarHBondContact O-CG 3.24Å; G434-Q438 PolarHBondContact O-N 3.25Å
435	F	97.2	Very high	93.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-35.2	-179	-56.4	-29.4	0	0	0	112.4	D361 T365 L367 S397 R398 S401 P431 N432 R437 Q438 L439	D361-F435 WeakPolarHBondContact OD1-CE2 3.48Å; T365-F435 HydrophobicContact CG2-CE1 3.9Å; T365-F435 HydrophobicContact CG2-CZ 4.09Å; T365-F435 WeakPolarHBondContact O-CE1 3.3Å; L367-F435 HydrophobicContact CB-CD1 4.24Å; L367-F435 HydrophobicContact CB-CE1 4.26Å; L367-F435 HydrophobicContact CD1-CD1 3.68Å; L367-F435 HydrophobicContact CD1-CD2 3.98Å; L367-F435 HydrophobicContact CD1-CE1 3.55Å; L367-F435 HydrophobicContact CD1-CE2 3.87Å; L367-F435 HydrophobicContact CD1-CG 3.91Å; L367-F435 HydrophobicContact CD1-CZ 3.66Å; L367-F435 HydrophobicContact CG-CD1 4Å; L367-F435 HydrophobicContact CG-CE1 3.63Å; L367-F435 HydrophobicContact CG-CZ 4.04Å; S397-F435 WeakPolarHBondContact OG-CD2 3.38Å; S397-F435 WeakPolarHBondContact OG-CE2 3.37Å; R398-F435 HydrophobicContact CB-CE2 4.38Å; R398-F435 HydrophobicContact CG-CE2 3.59Å; R398-F435 HydrophobicContact CG-CZ 3.81Å; S401-F435 WeakPolarHBondContact OG-CB 3.4Å; S401-F435 WeakPolarHBondContact OG-CD2 3.43Å; P431-F435 HydrophobicContact CB-CB 4.22Å; N432-F435 HydrophobicContact CB-CD2 4.46Å; N432-F435 VanDerWaalsContact CG-CD2 3.49Å; N432-F435 WeakPolarHBondContact ND2-CE2 3.31Å; N432-F435 PolarHBondContact O-N 2.76Å; N432-F435 WeakPolarHBondContact OD1-CD2 3.2Å; N432-F435 WeakPolarHBondContact OD1-CG 3.13Å; N432-F435 PolarHBondContact OD1-N 2.84Å; F435-R437 VanDerWaalsContact C-N 3.33Å; F435-R437 PolarHBondContact O-N 3.46Å; F435-Q438 PolarHBondContact O-N 3.01Å; F435-L439 WeakPolarHBondContact O-CB 3.26Å; F435-L439 VanDerWaalsContact O-CG 3.24Å; F435-L439 WeakPolarHBondContact O-CG 3.45Å; F435-L439 PolarHBondContact O-N 3Å
436	M	97.4	Very high	93.4	Very high	62 Å²	62	44.5 Å²	44.5	31%	0.305	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-39.4	172.5	-72.6	-56.4	-63.4	0	0	112.4	L415 P431 N432 L439 A440	L415-M436 HydrophobicContact CD1-CE 4.38Å; L415-M436 HydrophobicContact CD2-CE 4.39Å; P431-M436 HydrophobicContact CB-CG 3.97Å; P431-M436 HydrophobicContact CB-SD 3.75Å; P431-M436 HydrophobicContact CG-SD 3.9Å; N432-M436 PolarHBondContact O-N 2.63Å; M436-L439 PolarHBondContact O-N 2.81Å; M436-L439 HydrophobicContact SD-CD1 4.15Å; M436-A440 PolarHBondContact O-N 2.92Å
437	R	96.9	Very high	93.5	Very high	168 Å²	168	47.2 Å²	47.2	63%	0.634	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-44.9	174.1	-71.5	179.3	-63.5	146.7	1.9	112	A433 G434 F435 L439 A440 E441	A433-R437 WeakPolarHBondContact O-CG 3.33Å; A433-R437 PolarHBondContact O-N 2.93Å; A433-R437 PolarHBondContact O-NE 3.05Å; A433-R437 VanDerWaalsContact O-NE 3.16Å; G434-R437 PolarHBondContact O-N 3.48Å; F435-R437 VanDerWaalsContact C-N 3.33Å; F435-R437 PolarHBondContact O-N 3.46Å; R437-L439 VanDerWaalsContact C-N 3.29Å; R437-L439 PolarHBondContact O-N 3.19Å; R437-A440 PolarHBondContact O-N 2.94Å; R437-E441 PolarHBondContact O-N 2.95Å
438	Q	97.5	Very high	93.9	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-36	175.8	-74	168.3	47.2	0	0	112.4	T365 L368 W371 G434 F435 E441 Y442	T365-Q438 PolarHBondContact O-NE2 2.94Å; L368-Q438 HydrophobicContact CB-CB 4.25Å; L368-Q438 HydrophobicContact CB-CG 4.26Å; L368-Q438 VanDerWaalsContact N-OE1 3.17Å; W371-Q438 HydrophobicContact CH2-CB 3.66Å; W371-Q438 HydrophobicContact CZ3-CB 4.01Å; W371-Q438 WeakPolarHBondContact CZ3-O 3.31Å; G434-Q438 WeakPolarHBondContact O-CG 3.24Å; G434-Q438 PolarHBondContact O-N 3.25Å; F435-Q438 PolarHBondContact O-N 3.01Å; Q438-E441 PolarHBondContact O-N 2.95Å; Q438-Y442 WeakPolarHBondContact O-CB 3.12Å; Q438-Y442 PolarHBondContact O-N 3.14Å
439	L	97.8	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-39.8	174.9	-77.1	169.1	0	0	0	111.7	W371 I404 A405 M408 L415 F435 M436 R437 Y442 E443	W371-L439 HydrophobicContact CE3-CD2 4.5Å; W371-L439 HydrophobicContact CH2-CB 4.38Å; W371-L439 HydrophobicContact CH2-CD2 3.59Å; W371-L439 HydrophobicContact CH2-CG 3.62Å; W371-L439 HydrophobicContact CZ2-CD2 3.98Å; W371-L439 HydrophobicContact CZ2-CG 4.18Å; W371-L439 HydrophobicContact CZ3-CD2 3.87Å; W371-L439 HydrophobicContact CZ3-CG 4.21Å; I404-L439 HydrophobicContact CB-CD1 4.35Å; I404-L439 HydrophobicContact CB-CD2 4.36Å; I404-L439 HydrophobicContact CD1-CD1 4.47Å; I404-L439 HydrophobicContact CG2-CD1 4.02Å; I404-L439 HydrophobicContact CG2-CD2 4.03Å; A405-L439 HydrophobicContact CB-CD2 3.8Å; M408-L439 WeakPolarHBondContact CE-O 3.4Å; M408-L439 HydrophobicContact SD-CD2 4.05Å; L415-L439 HydrophobicContact CD1-CB 3.65Å; L415-L439 HydrophobicContact CD1-CD1 3.93Å; L415-L439 HydrophobicContact CD1-CG 4.27Å; L415-L439 HydrophobicContact CD2-CB 3.91Å; L415-L439 HydrophobicContact CG-CB 4.42Å; F435-L439 WeakPolarHBondContact O-CB 3.26Å; F435-L439 VanDerWaalsContact O-CG 3.24Å; F435-L439 WeakPolarHBondContact O-CG 3.45Å; F435-L439 PolarHBondContact O-N 3Å; M436-L439 PolarHBondContact O-N 2.81Å; M436-L439 HydrophobicContact SD-CD1 4.15Å; R437-L439 VanDerWaalsContact C-N 3.29Å; R437-L439 PolarHBondContact O-N 3.19Å; L439-Y442 WeakPolarHBondContact O-CB 3.27Å; L439-Y442 PolarHBondContact O-N 2.91Å; L439-E443 PolarHBondContact O-N 3.36Å
440	A	96.8	Very high	93.8	Very high	50 Å²	50	52.4 Å²	52.4	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-37.9	174.9	0	0	0	0	0	112.1	L415 M436 R437 Y442 E443 G444	L415-A440 HydrophobicContact CD2-CB 3.98Å; M436-A440 PolarHBondContact O-N 2.92Å; R437-A440 PolarHBondContact O-N 2.94Å; A440-Y442 VanDerWaalsContact C-N 3.33Å; A440-E443 WeakPolarHBondContact O-CB 3.4Å; A440-E443 PolarHBondContact O-N 3.06Å; A440-G444 PolarHBondContact O-N 3.33Å
441	E	96.9	Very high	93.1	Very high	112 Å²	112	53.2 Å²	53.2	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-42.1	170.6	-173	179.4	170.1	0	0	111.4	L368 R437 Q438 E443 G444 I445	L368-E441 HydrophobicContact CD2-CB 4.45Å; L368-E441 VanDerWaalsContact CD2-CD 3.42Å; L368-E441 HydrophobicContact CD2-CG 4.02Å; R437-E441 PolarHBondContact O-N 2.95Å; Q438-E441 PolarHBondContact O-N 2.95Å; E441-E443 PolarHBondContact O-N 3.42Å; E441-G444 PolarHBondContact O-N 2.85Å; E441-I445 HydrophobicContact CG-CD1 4.11Å; E441-I445 WeakPolarHBondContact O-CG1 3.47Å; E441-I445 PolarHBondContact O-N 3.25Å
442	Y	97.4	Very high	91.8	Very high	15 Å²	15	62 Å²	62	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-36.5	176.7	-168.6	-120.6	0	0	0	112.9	L368 W371 A405 M408 K409 Q438 L439 A440 I445 L446	L368-Y442 HydrophobicContact CD1-CD2 3.69Å; L368-Y442 HydrophobicContact CD1-CG 4.09Å; W371-Y442 HydrophobicContact CB-CE2 4.46Å; W371-Y442 HydrophobicContact CE3-CD1 4.03Å; W371-Y442 HydrophobicContact CE3-CD2 4.13Å; W371-Y442 AromaticContact CE3-CG 3.8Å; W371-Y442 HydrophobicContact CE3-CG 3.8Å; W371-Y442 HydrophobicContact CZ3-CG 4.18Å; A405-Y442 HydrophobicContact CB-CD1 4.07Å; A405-Y442 HydrophobicContact CB-CE1 3.92Å; A405-Y442 WeakPolarHBondContact O-CE1 3.42Å; M408-Y442 HydrophobicContact CE-CD1 4.43Å; K409-Y442 HydrophobicContact CB-CE1 4.44Å; K409-Y442 VanDerWaalsContact CD-OH 3.31Å; K409-Y442 WeakPolarHBondContact CD-OH 3.42Å; Q438-Y442 WeakPolarHBondContact O-CB 3.12Å; Q438-Y442 PolarHBondContact O-N 3.14Å; L439-Y442 WeakPolarHBondContact O-CB 3.27Å; L439-Y442 PolarHBondContact O-N 2.91Å; A440-Y442 VanDerWaalsContact C-N 3.33Å; Y442-I445 PolarHBondContact O-N 3.45Å; Y442-L446 HydrophobicContact CD1-CD1 3.91Å; Y442-L446 HydrophobicContact CD1-CG 4.32Å; Y442-L446 HydrophobicContact CE1-CD1 3.69Å; Y442-L446 HydrophobicContact CE1-CD2 4.37Å; Y442-L446 HydrophobicContact CE1-CG 4.14Å; Y442-L446 HydrophobicContact CE2-CD2 4.38Å; Y442-L446 HydrophobicContact CE2-CG 4.49Å; Y442-L446 WeakPolarHBondContact O-CB 3.44Å; Y442-L446 VanDerWaalsContact O-CG 3.28Å; Y442-L446 WeakPolarHBondContact O-CG 3.28Å; Y442-L446 PolarHBondContact O-N 2.96Å
443	E	96.5	Very high	90.4	Very high	52 Å²	52	68.6 Å²	68.6	24%	0.243	35%	0.352	C	S	.	.	H	α-helix	trans	-57	-49.6	171.3	-170.2	164.2	-142.1	0	0	111.2	M408 S414 L415 L439 A440 E441 I445 L446 D447	M408-E443 HydrophobicContact CE-CB 3.61Å; M408-E443 HydrophobicContact CE-CG 4.17Å; S414-E443 WeakPolarHBondContact CA-OE1 3.33Å; S414-E443 WeakPolarHBondContact CB-OE1 3.47Å; L415-E443 VanDerWaalsContact CB-OE2 3.27Å; L415-E443 WeakPolarHBondContact CB-OE2 3.4Å; L415-E443 PolarHBondContact N-OE1 3.36Å; L439-E443 PolarHBondContact O-N 3.36Å; A440-E443 WeakPolarHBondContact O-CB 3.4Å; A440-E443 PolarHBondContact O-N 3.06Å; E441-E443 PolarHBondContact O-N 3.42Å; E443-I445 PolarHBondContact O-N 2.97Å; E443-L446 PolarHBondContact O-N 3.36Å; E443-D447 PolarHBondContact O-N 3.4Å
444	G	94.4	Very high	88.7	Confident	43 Å²	43	70.3 Å²	70.3	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-39.3	175.3	0	0	0	0	0	113.6	A440 E441 D447 A448	A440-G444 PolarHBondContact O-N 3.33Å; E441-G444 PolarHBondContact O-N 2.85Å; G444-D447 PolarHBondContact O-N 2.77Å; G444-A448 VanDerWaalsContact O-CB 3.31Å; G444-A448 WeakPolarHBondContact O-CB 3.2Å; G444-A448 PolarHBondContact O-N 2.62Å
445	I	94	Very high	86.9	Confident	86 Å²	86	78.9 Å²	78.9	44%	0.441	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-43.1	174.6	-69.7	164.1	0	0	0	111.1	L368 E441 Y442 E443 S449	L368-I445 HydrophobicContact CD1-CD1 4.23Å; L368-I445 HydrophobicContact CD2-CD1 4.36Å; E441-I445 HydrophobicContact CG-CD1 4.11Å; E441-I445 WeakPolarHBondContact O-CG1 3.47Å; E441-I445 PolarHBondContact O-N 3.25Å; Y442-I445 PolarHBondContact O-N 3.45Å; E443-I445 PolarHBondContact O-N 2.97Å; I445-S449 WeakPolarHBondContact O-CB 3.36Å; I445-S449 PolarHBondContact O-N 2.79Å
446	L	93.4	Very high	84.9	Confident	23 Å²	23	86.2 Å²	86.2	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-65.4	-42.9	177.4	-69.7	178.1	0	0	0	111.6	M408 K409 Y442 E443 S449 K450	M408-L446 HydrophobicContact CB-CD1 3.94Å; K409-L446 HydrophobicContact CB-CD1 4.35Å; K409-L446 HydrophobicContact CB-CD2 4.38Å; K409-L446 HydrophobicContact CG-CD2 3.86Å; Y442-L446 HydrophobicContact CD1-CD1 3.91Å; Y442-L446 HydrophobicContact CD1-CG 4.32Å; Y442-L446 HydrophobicContact CE1-CD1 3.69Å; Y442-L446 HydrophobicContact CE1-CD2 4.37Å; Y442-L446 HydrophobicContact CE1-CG 4.14Å; Y442-L446 HydrophobicContact CE2-CD2 4.38Å; Y442-L446 HydrophobicContact CE2-CG 4.49Å; Y442-L446 WeakPolarHBondContact O-CB 3.44Å; Y442-L446 VanDerWaalsContact O-CG 3.28Å; Y442-L446 WeakPolarHBondContact O-CG 3.28Å; Y442-L446 PolarHBondContact O-N 2.96Å; E443-L446 PolarHBondContact O-N 3.36Å; L446-S449 WeakPolarHBondContact O-CB 3.14Å; L446-S449 PolarHBondContact O-N 2.98Å; L446-K450 WeakPolarHBondContact O-CG 3.34Å; L446-K450 PolarHBondContact O-N 2.64Å
447	D	90.9	Very high	82.5	Confident	66 Å²	66	92.7 Å²	92.7	35%	0.353	45%	0.45	S	S	.	.	H	α-helix	trans	-69.3	-40.5	179.3	-80.1	-5.7	0	0	0	112.7	E443 G444 S449 K450 Q451	E443-D447 PolarHBondContact O-N 3.4Å; G444-D447 PolarHBondContact O-N 2.77Å; D447-S449 PolarHBondContact O-N 3.45Å; D447-K450 PolarHBondContact O-N 3.27Å; D447-K450 WeakPolarHBondContact OD1-CD 3.42Å; D447-K450 VanDerWaalsContact OD1-CE 3.28Å; D447-K450 WeakPolarHBondContact OD1-CE 3.31Å; D447-K450 IonicContact OD1-NZ 2.65Å; D447-K450 PolarHBondContact OD1-NZ 3.32Å; D447-Q451 WeakPolarHBondContact O-CG 3.47Å; D447-Q451 PolarHBondContact O-N 3.2Å
448	A	90	Very high	80.3	Confident	44 Å²	44	94 Å²	94	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-36.1	169.6	0	0	0	0	0	111.8	G444 R452	G444-A448 VanDerWaalsContact O-CB 3.31Å; G444-A448 WeakPolarHBondContact O-CB 3.2Å; G444-A448 PolarHBondContact O-N 2.62Å; A448-R452 WeakPolarHBondContact O-CG 3.32Å; A448-R452 PolarHBondContact O-N 2.82Å
449	S	85.8	Confident	77.8	Confident	58 Å²	58	98.4 Å²	98.4	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-43.1	174.4	-163.8	0	0	0	0	112.3	I445 L446 D447 Q451 R452 H453	I445-S449 WeakPolarHBondContact O-CB 3.36Å; I445-S449 PolarHBondContact O-N 2.79Å; L446-S449 WeakPolarHBondContact O-CB 3.14Å; L446-S449 PolarHBondContact O-N 2.98Å; D447-S449 PolarHBondContact O-N 3.45Å; S449-Q451 VanDerWaalsContact C-N 3.31Å; S449-Q451 PolarHBondContact O-N 3.41Å; S449-R452 PolarHBondContact O-N 3.47Å; S449-H453 PolarHBondContact O-CD2 3.15Å
450	K	82.9	Confident	75.2	Confident	102 Å²	102	105.2 Å²	105.2	44%	0.443	52%	0.522	S	S	.	.	H	α-helix	trans	-57.5	-44.4	174.9	-66.9	167.1	-159	168.3	0	110.8	L446 D447 R452 H453	L446-K450 WeakPolarHBondContact O-CG 3.34Å; L446-K450 PolarHBondContact O-N 2.64Å; D447-K450 PolarHBondContact O-N 3.27Å; D447-K450 WeakPolarHBondContact OD1-CD 3.42Å; D447-K450 VanDerWaalsContact OD1-CE 3.28Å; D447-K450 WeakPolarHBondContact OD1-CE 3.31Å; D447-K450 IonicContact OD1-NZ 2.65Å; D447-K450 PolarHBondContact OD1-NZ 3.32Å; K450-R452 PolarHBondContact O-N 2.92Å; K450-H453 PolarHBondContact O-N 3.24Å
451	Q	75.7	Confident	72.7	Confident	116 Å²	116	109.4 Å²	109.4	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-34.3	-179	-69.4	178.2	22	0	0	113.5	D447 S449 H453 N454	D447-Q451 WeakPolarHBondContact O-CG 3.47Å; D447-Q451 PolarHBondContact O-N 3.2Å; S449-Q451 VanDerWaalsContact C-N 3.31Å; S449-Q451 PolarHBondContact O-N 3.41Å; Q451-H453 PolarHBondContact O-N 3.44Å; Q451-N454 VanDerWaalsContact O-CB 3.26Å; Q451-N454 WeakPolarHBondContact O-CB 3.25Å; Q451-N454 PolarHBondContact O-N 2.9Å
452	R	66.6	Low	70.2	Confident	197 Å²	197	111.2 Å²	111.2	74%	0.743	56%	0.556	S	S	*	*	H	α-helix	trans	-66.3	-20.5	176.7	-72.8	174.7	-175	-163.3	2.1	114.3	A448 S449 K450	A448-R452 WeakPolarHBondContact O-CG 3.32Å; A448-R452 PolarHBondContact O-N 2.82Å; S449-R452 PolarHBondContact O-N 3.47Å; K450-R452 PolarHBondContact O-N 2.92Å
453	H	61.8	Low	67.9	Low	162 Å²	162	119.6 Å²	119.6	75%	0.75	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.6	172.9	-70	-72.6	0	0	0	113.3	S449 K450 Q451	S449-H453 PolarHBondContact O-CD2 3.15Å; K450-H453 PolarHBondContact O-N 3.24Å; Q451-H453 PolarHBondContact O-N 3.44Å
454	N	57.8	Low	65.2	Low	99 Å²	99	126.6 Å²	126.6	53%	0.529	63%	0.628	S	S	.	*	S	Bend	trans	-77.7	140	176.9	-159.5	-2.3	0	0	0	110.5	Q451 L456 W457	Q451-N454 VanDerWaalsContact O-CB 3.26Å; Q451-N454 WeakPolarHBondContact O-CB 3.25Å; Q451-N454 PolarHBondContact O-N 2.9Å; N454-L456 PolarHBondContact O-N 2.77Å; N454-L456 VanDerWaalsContact O-N 3.09Å; N454-W457 PolarHBondContact O-N 2.75Å
455	K	56.4	Low	62.6	Low	180 Å²	180	128.3 Å²	128.3	78%	0.783	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-61.1	-27.6	-165.7	-79	-170.5	174.8	-174.3	0	114.6	W457 R458	K455-W457 PolarHBondContact O-N 3.44Å; K455-W457 VanDerWaalsContact O-N 3.1Å; K455-R458 PolarHBondContact O-N 3.48Å
456	L	55.1	Low	59.8	Low	153 Å²	153	129.9 Å²	129.9	80%	0.801	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-59.7	-17.5	-179.2	-102.1	82.3	0	0	0	115.5	N454	N454-L456 PolarHBondContact O-N 2.77Å; N454-L456 VanDerWaalsContact O-N 3.09Å
457	W	48.9	Very low	57.3	Low	198 Å²	198	136.5 Å²	136.5	75%	0.75	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-107.4	10.8	-176.6	-72.2	110.2	0	0	0	114.4	N454 K455	N454-W457 PolarHBondContact O-N 2.75Å; K455-W457 PolarHBondContact O-N 3.44Å; K455-W457 VanDerWaalsContact O-N 3.1Å
458	R	49.8	Very low	54.6	Low	195 Å²	195	140.5 Å²	140.5	74%	0.736	72%	0.721	S	S	*	*	S	Bend	trans	-78.9	127.8	152.7	-67.5	-178.4	-178.2	-94.5	-2.6	106.5	K455 D460	K455-R458 PolarHBondContact O-N 3.48Å; R458-D460 PolarHBondContact O-N 2.82Å
459	P	44.7	Very low	52.4	Low	115 Å²	115	145 Å²	145	75%	0.747	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.8	129.1	157.8	-16.6	30.2	0	0	0	106.9	T461	P459-T461 PolarHBondContact O-N 3.1Å; P459-T461 VanDerWaalsContact O-N 3.14Å
460	D	44	Very low	50	Low	144 Å²	144	151.1 Å²	151.1	77%	0.77	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59.8	119.1	165.6	-72.4	-56.2	0	0	0	106.9	R458 D462	R458-D460 PolarHBondContact O-N 2.82Å; D460-D462 PolarHBondContact O-N 3.14Å
461	T	43.2	Very low	47.5	Very low	137 Å²	137	150.8 Å²	150.8	84%	0.84	78%	0.777	S	S	*	*			trans	-77	87	169.1	49	0	0	0	0	106.5	P459	P459-T461 PolarHBondContact O-N 3.1Å; P459-T461 VanDerWaalsContact O-N 3.14Å
462	D	45.6	Very low	45.4	Very low	151 Å²	151	151.5 Å²	151.5	81%	0.807	80%	0.795	S	S	*	*			trans	-47.1	141.1	173.6	-72.7	-48.9	0	0	0	110.6	D460 E464	D460-D462 PolarHBondContact O-N 3.14Å; D462-E464 PolarHBondContact O-N 3.38Å
463	E	48.7	Very low	43.6	Very low	190 Å²	190	145 Å²	145	89%	0.888	79%	0.789	S	S	*	*			trans	-71.9	129	-177.5	-63.6	-169.7	157.7	0	0	111.8
464	E	38.7	Very low	42.2	Very low	200 Å²	200	145.9 Å²	145.9	94%	0.935	79%	0.793	S	S	*	*			trans	-132.6	114.7	149	-80	-152.6	133.8	0	0	111.7	D462	D462-E464 PolarHBondContact O-N 3.38Å
465	G	39.5	Very low	40.8	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	80%	0.803	S	S	*	*			trans	73.4	92.4	131.1	0	0	0	0	0	119.6
466	S	35.7	Very low	39.5	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	81%	0.808	S	S	*	*			trans	-150.5	111.2	134.3	57.5	0	0	0	0	111.6
467	D	40.9	Very low	38.3	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	81%	0.808	S	S	*	*			trans	-61.9	138.8	160.8	-75.7	-63.8	0	0	0	110.1
468	D	35.5	Very low	37.3	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	81%	0.805	S	S	*	*				-161.7	163.3	118.2	-135.4	-38.4	0	0	0	112.1
469	L	43.2	Very low	36.4	Very low	139 Å²	139	134.5 Å²	134.5	73%	0.728	81%	0.813	S	S	*	*			trans	-97.7	144.6	-170.8	-55.8	99.9	0	0	0	113.7
470	Q	34.8	Very low	35.6	Very low	186 Å²	186	137.7 Å²	137.7	87%	0.869	82%	0.818	S	S	*	*				178.4	117.2	109.8	-96.5	165.6	64.3	0	0	117.1
471	A	31.3	Very low	35	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	82%	0.821	S	S	*	*				59.8	138.1	125.9	0	0	0	0	0	124.5
472	S	31.7	Very low	35	Very low	132 Å²	132	136.1 Å²	136.1	92%	0.923	82%	0.815	S	S	*	*			trans	79.6	127.8	159	-157.3	0	0	0	0	117.9
473	G	29.2	Very low	34.1	Very low	61 Å²	61	135 Å²	135	63%	0.629	81%	0.814	S	S	*	*			cis	173.4	167.9	-3.4	0	0	0	0	0	113.7
474	H	32.2	Very low	33.2	Very low	180 Å²	180	133.6 Å²	133.6	83%	0.833	81%	0.811	S	S	*	*			trans	65.2	126.6	-175.7	-73.4	-99.2	0	0	0	115.6
475	S	27.8	Very low	32.5	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	81%	0.807	S	S	*	*			cis	73.8	123.1	43.1	-51.2	0	0	0	0	112.6
476	T	29.5	Very low	31.8	Very low	146 Å²	146	134 Å²	134	90%	0.896	80%	0.799	S	S	*	*			cis	-147.1	171.1	8	51	0	0	0	0	109.9
477	G	28.6	Very low	31.5	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	80%	0.797	S	S	*	*			cis	149.4	160.1	1.1	0	0	0	0	0	111.6
478	G	29.4	Very low	30.9	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	80%	0.799	S	S	*	*			trans	96	127.6	-171.7	0	0	0	0	0	111.9
479	E	29.3	Very low	30.6	Very low	190 Å²	190	135.5 Å²	135.5	89%	0.888	80%	0.8	S	S	*	*			cis	66.8	122.5	41.2	-60.1	-179.7	125.9	0	0	112
480	E	29.3	Very low	29.8	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	81%	0.813	S	S	*	*			cis	-141.9	170.6	8.3	-58.8	179.2	112.3	0	0	113.1
481	T	30	Very low	29.4	Very low	137 Å²	137	136.6 Å²	136.6	84%	0.84	81%	0.812	S	S	*	*			trans	-122.3	168.7	161.9	19.6	0	0	0	0	109.1
482	P	44.6	Very low	29.2	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	81%	0.811	S	S	*	*			cis	-132.9	-168.4	-1	34.8	-13.4	0	0	0	113.9
483	V	26.8	Very low	29	Very low	129 Å²	129	136 Å²	136	78%	0.782	81%	0.812	S	S	*	*				161.5	134.4	125.4	161.9	0	0	0	0	113.6
484	L	28.2	Very low	28.9	Very low	159 Å²	159	136.8 Å²	136.8	83%	0.832	82%	0.82	S	S	*	*			trans	-23.2	159.4	169.5	-61.5	160.8	0	0	0	122.5
485	R	25.1	Very low	28.9	Very low	225 Å²	225	133.2 Å²	133.2	85%	0.849	82%	0.822	S	S	*	*			trans	82.1	140.1	153.7	-159.2	-179.8	-171.4	173.2	5	116.4	E487	R485-E487 IonicContact NE-OE2 3.57Å; R485-E487 IonicContact NH2-OE2 2.9Å
486	G	25.8	Very low	29.2	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	82%	0.821	S	S	*	*			cis	164.6	169.1	-8.8	0	0	0	0	0	112.7
487	E	27.7	Very low	29.7	Very low	169 Å²	169	132.4 Å²	132.4	79%	0.79	82%	0.819	S	S	*	*			trans	71	153.6	162.5	-64.5	166.5	100.5	0	0	119.8	R485	R485-E487 IonicContact NE-OE2 3.57Å; R485-E487 IonicContact NH2-OE2 2.9Å
488	E	29.8	Very low	29.6	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	82%	0.821	S	S	*	*			trans	-79.7	157.7	-159.3	-54.6	164.2	159.2	0	0	116.1
489	A	29	Very low	29.6	Very low	100 Å²	100	143.1 Å²	143.1	83%	0.826	83%	0.832	S	S	*	*			trans	-165.9	157.1	146	0	0	0	0	0	112.8
490	W	25.9	Very low	29.4	Very low	267 Å²	267	137.4 Å²	137.4	100%	1.011	82%	0.823	S	S	*	*			trans	-92.1	162.1	-179.5	-54.9	-20.2	0	0	0	114.2
491	G	26.6	Very low	29.4	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	82%	0.824	S	S	*	*			trans	157.4	102.9	145.7	0	0	0	0	0	120.2
492	G	26.4	Very low	29.2	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	82%	0.824	S	S	*	*				90.4	93.3	129.4	0	0	0	0	0	122
493	C	27.2	Very low	28.4	Very low	141 Å²	141	141.9 Å²	141.9	95%	0.953	83%	0.832	S	S	*	*			trans	50	123.3	135.1	-56.6	0	0	0	0	122
494	G	27.4	Very low	28.4	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	83%	0.833	S	S	*	*			trans	-170.5	40.8	174.9	0	0	0	0	0	120.4
495	A	33.3	Very low	28.6	Very low	106 Å²	106	142 Å²	142	88%	0.876	83%	0.83	S	S	*	*			trans	58.8	122.7	164.7	0	0	0	0	0	120.9
496	S	32.4	Very low	28.8	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	83%	0.829	S	S	*	*			trans	-84.6	165.3	158.6	-47.8	0	0	0	0	111.3
497	P	40.2	Very low	28.9	Very low	131 Å²	131	142.7 Å²	142.7	85%	0.851	84%	0.835	S	S	*	*				-138.3	160.3	97.4	37.4	-25.9	0	0	0	114.5
498	C	27	Very low	28.9	Very low	121 Å²	121	140.7 Å²	140.7	82%	0.818	84%	0.84	S	S	*	*			trans	-92.1	132.5	-168.1	-50.6	0	0	0	0	114.4
499	R	29	Very low	29	Very low	248 Å²	248	138.3 Å²	138.3	94%	0.936	83%	0.833	S	S	*	*			trans	-163.9	140.8	145.1	-98.6	176.4	-172.9	-139.6	0.2	106.6
500	G	25.5	Very low	29.1	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	82%	0.816	S	S	*	*			cis	125.1	74.6	5	0	0	0	0	0	111
501	L	29.8	Very low	29.3	Very low	167 Å²	167	133.9 Å²	133.9	87%	0.874	80%	0.802	S	S	*	*			trans	-147	146	166.9	-78	-179	0	0	0	108.8
502	E	25.3	Very low	29.4	Very low	177 Å²	177	134.8 Å²	134.8	83%	0.827	79%	0.788	S	S	*	*			trans	-78.2	164.7	-178.4	-65.9	105.7	146.9	0	0	114.4
503	M	27.4	Very low	29.7	Very low	180 Å²	180	140.7 Å²	140.7	89%	0.887	79%	0.789	S	S	*	*			trans	-114.3	107.6	169.8	-176.2	127.6	72.7	0	0	109.8
504	E	26.7	Very low	29.8	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.1	176.1	-75.6	-74.9	98.8	0	0	112.1
505	P	32.9	Very low	30.1	Very low	119 Å²	119	150.5 Å²	150.5	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.8	118.6	169.7	-10.6	27.9	0	0	0	111.4
506	L	29.1	Very low	29.9	Very low	159 Å²	159	156.7 Å²	156.7	83%	0.832	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.6	150.7	179.1	-161.9	73.9	0	0	0	112.9	S508	L506-S508 PolarHBondContact O-N 2.99Å
507	D	27.8	Very low	29.8	Very low	144 Å²	144	163.4 Å²	163.4	77%	0.77	80%	0.8	S	S	*	*			trans	-44.8	123.8	-177.5	-72.7	-72.7	0	0	0	115.8	L509	D507-L509 PolarHBondContact O-N 3.05Å
508	S	29	Very low	29.3	Very low	126 Å²	126	165.2 Å²	165.2	88%	0.881	80%	0.802	S	S	*	*			trans	-86.7	101.9	166.6	-70.1	0	0	0	0	110.9	L506	L506-S508 PolarHBondContact O-N 2.99Å
509	L	31.2	Very low	29.6	Very low	145 Å²	145	165.1 Å²	165.1	76%	0.759	80%	0.802	S	S	*	*			trans	-63.5	142.9	-174.4	-79	166.6	0	0	0	114.4	D507 Y511	D507-L509 PolarHBondContact O-N 3.05Å; L509-Y511 PolarHBondContact O-N 2.85Å
510	N	30.9	Very low	29.5	Very low	88 Å²	88	161.2 Å²	161.2	47%	0.471	80%	0.8	S	S	.	*			trans	-77.6	101.9	-170.8	178.8	104.4	0	0	0	113	K383 N512	K383-N510 PolarHBondContact NZ-OD1 2.98Å; N510-N512 PolarHBondContact ND2-ND2 3.22Å; N510-N512 VanDerWaalsContact ND2-ND2 3.1Å; N510-N512 PolarHBondContact O-N 2.92Å
511	Y	30.2	Very low	29.7	Very low	185 Å²	185	163.5 Å²	163.5	73%	0.725	81%	0.805	S	S	*	*			trans	-90.7	95.1	170.9	-74.1	-72.9	0	0	0	112.8	L509 Y513	L509-Y511 PolarHBondContact O-N 2.85Å; Y511-Y513 AromaticContact CD1-CE2 3.86Å; Y511-Y513 HydrophobicContact CD1-CE2 3.86Å
512	N	29.3	Very low	29.9	Very low	101 Å²	101	160.1 Å²	160.1	54%	0.54	80%	0.801	S	S	.	*			trans	-88	120.5	163.9	-76.1	-33.4	0	0	0	109.6	N510	N510-N512 PolarHBondContact ND2-ND2 3.22Å; N510-N512 VanDerWaalsContact ND2-ND2 3.1Å; N510-N512 PolarHBondContact O-N 2.92Å
513	Y	31.4	Very low	30.2	Very low	197 Å²	197	159.6 Å²	159.6	77%	0.773	80%	0.803	S	S	*	*			trans	-128.2	116	165.4	-79.4	-72.2	0	0	0	110.7	Y511	Y511-Y513 AromaticContact CD1-CE2 3.86Å; Y511-Y513 HydrophobicContact CD1-CE2 3.86Å
514	Y	31.1	Very low	30.2	Very low	216 Å²	216	158.2 Å²	158.2	85%	0.847	80%	0.799	S	S	*	*			trans	-83	129.9	171.4	-69.4	-88.9	0	0	0	109.7	R516	Y514-R516 PolarHBondContact O-N 2.61Å; Y514-R516 VanDerWaalsContact O-N 3.12Å
515	F	32	Very low	30.4	Very low	208 Å²	208	156.1 Å²	156.1	91%	0.912	80%	0.804	S	S	*	*			trans	-70.9	105.7	172.1	-93.3	-85.3	0	0	0	110.9
516	R	29	Very low	30.1	Very low	235 Å²	235	159 Å²	159	89%	0.887	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84	121.3	168.4	-143.7	-178.8	-159.4	-164.8	5.4	108.2	Y514	Y514-R516 PolarHBondContact O-N 2.61Å; Y514-R516 VanDerWaalsContact O-N 3.12Å
517	R	31.5	Very low	31.3	Very low	244 Å²	244	155.9 Å²	155.9	92%	0.921	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.2	136.9	172.8	-76.1	-174.1	174.9	177.9	-1.7	110.1
518	L	28.3	Very low	31.2	Very low	170 Å²	170	155 Å²	155	89%	0.89	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-85.3	117.5	176.5	-69.5	167.5	0	0	0	110.2
519	S	33.8	Very low	31.3	Very low	119 Å²	119	155.3 Å²	155.3	83%	0.832	80%	0.798	S	S	*	*			trans	-165.4	71.8	167.1	-72.3	0	0	0	0	109.3
520	D	26.4	Very low	32.1	Very low	166 Å²	166	153.6 Å²	153.6	89%	0.888	80%	0.795	S	S	*	*			trans	-152.8	138.1	157.7	-136.4	-21.1	0	0	0	109.9
521	S	31.6	Very low	32	Very low	116 Å²	116	154.7 Å²	154.7	81%	0.811	81%	0.805	S	S	*	*			trans	-113	118.9	-176.5	-69.7	0	0	0	0	109.4
522	A	33.3	Very low	31.9	Very low	96 Å²	96	157.4 Å²	157.4	79%	0.793	81%	0.814	S	S	*	*			trans	-67.7	143.9	-175.8	0	0	0	0	0	113.2
523	L	30.8	Very low	31.9	Very low	167 Å²	167	155.7 Å²	155.7	87%	0.874	82%	0.82	S	S	*	*			trans	-141	145.4	153.5	-76.1	-178	0	0	0	109.4
524	D	28.9	Very low	32.5	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	82%	0.821	S	S	*	*			trans	-83.4	161.7	-162.8	-52.1	-81.3	0	0	0	116.1
525	S	29.7	Very low	33.5	Very low	128 Å²	128	146.7 Å²	146.7	90%	0.895	81%	0.812	S	S	*	*			trans	-168.4	105.4	133.8	-78.9	0	0	0	0	112.9
526	E	27.6	Very low	33.5	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	80%	0.803	S	S	*	*			trans	-80.9	-180	164.1	-85.2	-98.8	111.2	0	0	111.2
527	P	53.4	Low	33.6	Very low	93 Å²	93	140.1 Å²	140.1	60%	0.604	80%	0.803	S	S	*	*			cis	-136.6	178.9	-47.7	37.8	-22.2	0	0	0	113.1
528	S	26.6	Very low	33.5	Very low	124 Å²	124	131.3 Å²	131.3	87%	0.867	79%	0.788	S	S	*	*			trans	-165.8	137.2	149	-84.6	0	0	0	0	113.4
529	T	30.2	Very low	33.5	Very low	134 Å²	134	131.6 Å²	131.6	82%	0.822	79%	0.787	S	S	*	*			trans	-126.8	-173.3	173.3	64.7	0	0	0	0	108.6
530	P	49.1	Very low	33.3	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	79%	0.785	S	S	*	*			cis	-122.7	-165.9	-11.3	33.8	-13.2	0	0	0	112.6
531	V	27.6	Very low	33.4	Very low	112 Å²	112	136.6 Å²	136.6	68%	0.679	78%	0.782	S	S	*	*				-178.4	137.6	90.2	153.3	0	0	0	0	112.2
532	R	29	Very low	33.1	Very low	242 Å²	242	137.7 Å²	137.7	91%	0.913	78%	0.783	S	S	*	*			trans	58.5	132.6	160.5	-83.4	180	167.5	108.4	0.3	121.5
533	G	27.7	Very low	32.6	Very low	65 Å²	65	140.7 Å²	140.7	67%	0.67	78%	0.779	S	S	*	*			trans	-106.4	-124.7	154.9	0	0	0	0	0	112.7
534	P	45.5	Very low	32.4	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	78%	0.777	S	S	*	*				-124.7	-139.7	-111.2	37.7	-19.2	0	0	0	110.2
535	P	52.2	Low	32.1	Very low	100 Å²	100	140.7 Å²	140.7	65%	0.649	77%	0.773	S	S	*	*			cis	-138.9	-170.4	-14.6	25	1.7	0	0	0	115.5
536	L	32	Very low	32.1	Very low	140 Å²	140	141.1 Å²	141.1	73%	0.733	76%	0.764	S	S	*	*				131.2	128.6	128.3	-69.4	-178.7	0	0	0	118.8
537	L	31.6	Very low	32.2	Very low	166 Å²	166	140.3 Å²	140.3	87%	0.869	76%	0.76	S	S	*	*			trans	59.3	147.7	140.5	-57.6	167.1	0	0	0	120.2
538	G	27.6	Very low	31	Very low	59 Å²	59	142.6 Å²	142.6	61%	0.608	77%	0.767	S	S	*	*			cis	160.7	172.1	-4.6	0	0	0	0	0	112.2
539	M	29	Very low	31.4	Very low	176 Å²	176	143.9 Å²	143.9	87%	0.867	77%	0.77	S	S	*	*			trans	70.7	151.5	172.5	-51.6	-177	81.3	0	0	116.3
540	E	29.1	Very low	31.5	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	76%	0.762	S	S	*	*			cis	-160.4	174.7	-26.4	-174.2	152.2	-147.3	0	0	109.3
541	R	29.5	Very low	30.5	Very low	217 Å²	217	147.3 Å²	147.3	82%	0.819	76%	0.76	S	S	*	*			trans	-82.5	150.9	-175.3	-58.6	174.1	179.9	166.9	-2.1	113.6
542	V	25.4	Very low	30.5	Very low	139 Å²	139	149 Å²	149	84%	0.842	77%	0.765	S	S	*	*			trans	-138	133.7	152.2	-179.3	0	0	0	0	109.5
543	F	23	Very low	30.6	Very low	159 Å²	159	141.2 Å²	141.2	70%	0.697	75%	0.752	S	S	*	*			trans	-99.8	140.7	167.4	-90.3	-105.4	0	0	0	109.6
544	I	25.3	Very low	30.6	Very low	164 Å²	164	145.7 Å²	145.7	84%	0.841	76%	0.76	S	S	*	*			trans	-142.4	132.4	144.8	-59.4	-175.7	0	0	0	106.9
545	E	23.8	Very low	30	Very low	153 Å²	153	147.7 Å²	147.7	72%	0.715	76%	0.763	S	S	*	*			trans	-114.9	-176.5	170.6	-68	-177.9	124.4	0	0	109.9
546	I	28.9	Very low	28.9	Very low	138 Å²	138	152 Å²	152	71%	0.708	78%	0.775	S	S	*	*			trans	93.8	95.1	160	-58.3	-178.7	0	0	0	117.4
547	E	29.4	Very low	28.9	Very low	163 Å²	163	152.7 Å²	152.7	76%	0.762	78%	0.779	S	S	*	*				77.8	125.7	128	-65.5	169.6	-179.3	0	0	123.3
548	D	29.4	Very low	28.7	Very low	140 Å²	140	152.9 Å²	152.9	75%	0.749	78%	0.776	S	S	*	*			trans	65	102.3	130.1	-61.9	9.2	0	0	0	122.7
549	V	34.3	Very low	28.6	Very low	151 Å²	151	152.6 Å²	152.6	92%	0.915	77%	0.773	S	S	*	*			trans	-130.7	135.1	132.2	-179.7	0	0	0	0	108.6
550	E	31.4	Very low	28.4	Very low	140 Å²	140	154.4 Å²	154.4	65%	0.654	78%	0.776	S	S	*	*			trans	-77.9	145.2	-174.7	-54.6	-163.5	87.8	0	0	114.4
551	R	28.5	Very low	28.7	Very low	174 Å²	174	151.9 Å²	151.9	66%	0.657	78%	0.775	S	S	*	*				43.5	108.3	125.9	-167.7	-144.3	-48.6	152.8	7.5	118.4
552	D	28.7	Very low	28.6	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	78%	0.78	S	S	*	*				-176.3	162.9	109.8	-106.9	-36.3	0	0	0	115.5
553	A	29.4	Very low	28.7	Very low	79 Å²	79	148.1 Å²	148.1	65%	0.653	77%	0.774	S	S	*	*			trans	63	95.1	152.1	0	0	0	0	0	122.4
554	L	29.4	Very low	28.8	Very low	160 Å²	160	148.9 Å²	148.9	84%	0.838	78%	0.779	S	S	*	*				70.4	138.7	112.4	-73.6	170.6	0	0	0	123.7
555	L	32.9	Very low	28.8	Very low	164 Å²	164	147.6 Å²	147.6	86%	0.859	77%	0.774	S	S	*	*			trans	79.7	118	156.9	-66.1	167.5	0	0	0	119.2
556	E	29.4	Very low	28.8	Very low	192 Å²	192	147.2 Å²	147.2	90%	0.897	78%	0.782	S	S	*	*			trans	-88.5	150.5	163.1	-54.1	171.1	134.6	0	0	109.3
557	D	30.2	Very low	28.5	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	79%	0.789	S	S	*	*			trans	-157.7	141.7	152.5	-146.4	15.6	0	0	0	112.8
558	E	28.5	Very low	29.3	Very low	171 Å²	171	146.2 Å²	146.2	80%	0.799	79%	0.789	S	S	*	*			trans	35.1	125.8	162.2	-73.5	-60.6	119.1	0	0	124.5
559	G	24.5	Very low	29.1	Very low	53 Å²	53	143.1 Å²	143.1	55%	0.546	79%	0.79	S	S	.	*				119.8	105.5	109.5	0	0	0	0	0	120.3
560	F	26.4	Very low	28.8	Very low	214 Å²	214	145.4 Å²	145.4	94%	0.939	79%	0.791	S	S	*	*			trans	-148.9	138.1	156	-89.5	-73.4	0	0	0	112.6
561	P	35	Very low	28.5	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	79%	0.792	S	S	*	*			trans	-105.2	133.5	-169.6	37.3	-33.9	0	0	0	117.6
562	M	26.1	Very low	28.5	Very low	189 Å²	189	140.7 Å²	140.7	93%	0.931	80%	0.804	S	S	*	*			trans	37.6	147.5	134.8	-165	171.7	-89.6	0	0	124.1
563	A	28.5	Very low	28.4	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	80%	0.803	S	S	*	*			trans	98.7	147.7	158.6	0	0	0	0	0	117.2
564	H	25.5	Very low	28.3	Very low	175 Å²	175	137.9 Å²	137.9	81%	0.81	80%	0.802	S	S	*	*			cis	-144.6	174.4	7.2	-155.2	-92.7	0	0	0	113.4
565	L	24	Very low	28.2	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	80%	0.802	S	S	*	*			trans	-76.6	155.2	-169.5	-61.4	157.6	0	0	0	117.3
566	T	23.9	Very low	27.8	Very low	145 Å²	145	136.5 Å²	136.5	89%	0.89	79%	0.794	S	S	*	*				178.9	167.1	119.1	32.3	0	0	0	0	115.8
567	L	23.9	Very low	27.5	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	79%	0.787	S	S	*	*			trans	-161.2	-179.3	-174.5	-102.9	175	0	0	0	107.7
568	P	44.9	Very low	27.2	Very low	116 Å²	116	131 Å²	131	75%	0.753	79%	0.787	S	S	*	*			cis	-136	-170.4	-13.8	40	-21.1	0	0	0	115.1
569	G	26.7	Very low	27	Very low	75 Å²	75	133.5 Å²	133.5	77%	0.773	79%	0.79	S	S	*	*			trans	104.1	160.3	145.8	0	0	0	0	0	119.3
570	E	26.6	Very low	27	Very low	199 Å²	199	138 Å²	138	93%	0.93	80%	0.8	S	S	*	*			cis	-169.8	146.7	-15.8	-160.6	172	179.7	0	0	112.5
571	G	26.3	Very low	27	Very low	66 Å²	66	134.9 Å²	134.9	68%	0.68	79%	0.794	S	S	*	*			trans	76.8	166.8	158.1	0	0	0	0	0	120
572	T	28.7	Very low	27	Very low	148 Å²	148	135.5 Å²	135.5	91%	0.908	80%	0.798	S	S	*	*			cis	-159.8	166.3	-15	-67.3	0	0	0	0	109.7
573	A	25.3	Very low	27	Very low	93 Å²	93	134.5 Å²	134.5	77%	0.769	79%	0.793	S	S	*	*			trans	-80.1	-169.4	-179.4	0	0	0	0	0	114.1
574	A	26.6	Very low	26.9	Very low	75 Å²	75	139.3 Å²	139.3	62%	0.62	80%	0.8	S	S	*	*			cis	-167.5	179.5	15.9	0	0	0	0	0	113.9
575	Q	28	Very low	27	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	80%	0.797	S	S	*	*			trans	71.2	156.2	149	-73.4	166.3	-2.9	0	0	118.9
576	T	24.6	Very low	27	Very low	113 Å²	113	138.5 Å²	138.5	69%	0.693	80%	0.8	S	S	*	*			cis	-158.7	142.9	-0.7	11.4	0	0	0	0	114.1
577	C	22.8	Very low	27.1	Very low	111 Å²	111	142.9 Å²	142.9	75%	0.75	80%	0.8	S	S	*	*			trans	52.2	140.2	137.9	-60.1	0	0	0	0	126.2
578	S	24.5	Very low	27.2	Very low	118 Å²	118	141.6 Å²	141.6	83%	0.825	79%	0.793	S	S	*	*			trans	96.4	149.5	147.2	-44.2	0	0	0	0	119.1
579	R	24.5	Very low	26.4	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.845	80%	0.8	S	S	*	*			cis	-173.9	160	-30.8	-166.4	178.6	178.5	170	0	108.6
580	L	24.6	Very low	26.3	Very low	148 Å²	148	149.5 Å²	149.5	78%	0.775	79%	0.793	S	S	*	*			trans	99.2	124.7	157.5	-56.4	173.1	0	0	0	118.6
581	D	26.3	Very low	26.3	Very low	149 Å²	149	147.5 Å²	147.5	80%	0.797	78%	0.783	S	S	*	*			trans	-80.7	173.3	157.7	-43.3	-89.1	0	0	0	111
582	P	35.4	Very low	26.4	Very low	132 Å²	132	153 Å²	153	86%	0.857	79%	0.789	S	S	*	*				-140.6	175.6	90.6	37.9	-23.2	0	0	0	115.1
583	M	26.1	Very low	26.3	Very low	168 Å²	168	150.5 Å²	150.5	83%	0.828	78%	0.778	S	S	*	*			trans	-89.8	-178.2	-178.2	-61	-174.6	-63.4	0	0	113.7
584	E	26.2	Very low	26.5	Very low	187 Å²	187	151.2 Å²	151.2	87%	0.874	77%	0.772	S	S	*	*			trans	82.5	109.1	162.9	-54.3	-172.8	150.8	0	0	118
585	D	26.2	Very low	26.7	Very low	139 Å²	139	154.8 Å²	154.8	74%	0.743	78%	0.78	S	S	*	*				-160.1	163.5	112	-153.6	-4	0	0	0	112.6
586	M	25.2	Very low	26.9	Very low	158 Å²	158	154.7 Å²	154.7	78%	0.778	78%	0.78	S	S	*	*			trans	57	78.4	159.7	-84.2	178.4	-87	0	0	120.1
587	R	25.6	Very low	27.3	Very low	236 Å²	236	158 Å²	158	89%	0.891	79%	0.787	S	S	*	*			trans	-66.2	156.3	139.2	-159.4	177.3	-169.4	146.2	-3	109.8
588	L	25	Very low	27.9	Very low	137 Å²	137	162 Å²	162	72%	0.717	80%	0.795	S	S	*	*			trans	108.1	89.8	166.3	-63.6	163.8	0	0	0	119.4	L590	L588-L590 HydrophobicContact CD2-CD2 4.47Å; L588-L590 HydrophobicContact CD2-CG 4.37Å
589	R	30	Very low	28.8	Very low	238 Å²	238	163.7 Å²	163.7	90%	0.898	80%	0.795	S	S	*	*				-138.9	100.1	122.3	-81.5	-176.6	148.6	93	-2.4	105.3
590	L	23.4	Very low	29.8	Very low	120 Å²	120	160 Å²	160	63%	0.628	79%	0.787	S	S	*	*				47.5	96.5	85.8	-63.9	176.2	0	0	0	110.9	L588	L588-L590 HydrophobicContact CD2-CD2 4.47Å; L588-L590 HydrophobicContact CD2-CG 4.37Å
591	E	28	Very low	31	Very low	156 Å²	156	161.4 Å²	161.4	73%	0.729	79%	0.79	S	S	*	*			cis	93.1	169	47.4	-69.5	-179.5	169.2	0	0	113.7
592	F	27.5	Very low	31.7	Very low	183 Å²	183	161.8 Å²	161.8	80%	0.803	79%	0.787	S	S	*	*			trans	77.4	131.1	-171.7	-68.4	-98.7	0	0	0	114.8
593	S	27.6	Very low	32.3	Very low	95 Å²	95	158.6 Å²	158.6	66%	0.664	77%	0.772	S	S	*	*			cis	-178.4	158.4	-1.9	40.8	0	0	0	0	109.6
594	T	27.8	Very low	33.3	Very low	107 Å²	107	156 Å²	156	66%	0.656	76%	0.756	S	S	*	*			cis	-174.8	146.4	-4.7	25.8	0	0	0	0	109
595	L	30.6	Very low	34.8	Very low	151 Å²	151	154 Å²	154	79%	0.791	74%	0.744	S	S	*	*			trans	56.6	165.4	143.9	-55.1	169.9	0	0	0	117.8
596	E	33.3	Very low	36.1	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	74%	0.741	S	S	*	*			cis	-121.6	167.2	5.7	-61.3	151.2	164.3	0	0	108.1
597	E	33.6	Very low	37.5	Very low	182 Å²	182	153.8 Å²	153.8	85%	0.85	74%	0.737	S	S	*	*			cis	-137.9	120.6	19.1	-56.8	167.5	139.9	0	0	110.3
598	E	35.5	Very low	39	Very low	194 Å²	194	150.1 Å²	150.1	91%	0.907	73%	0.73	S	S	*	*			trans	-143.6	70.5	167	-80.2	-167.1	147.4	0	0	109.2
599	D	43.1	Very low	40.6	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	73%	0.728	S	S	*	*			trans	-146	57	-168	-121.6	-32.1	0	0	0	112.8
600	E	45.7	Very low	41.7	Very low	145 Å²	145	146 Å²	146	68%	0.678	72%	0.719	S	S	*	*	S	Bend	trans	-151.8	-11.2	167.8	-127.7	-158.4	-116.7	0	0	117.4	K604	E600-K604 PolarHBondContact O-NZ 2.82Å; E600-K604 IonicContact OE2-NZ 2.7Å; E600-K604 PolarHBondContact OE2-NZ 2.95Å
601	E	48.3	Very low	43.3	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	72%	0.716	S	S	*	*	S	Bend	trans	-103	-27.8	-176	-160.9	164.6	-147.1	0	0	113.9
602	E	41.3	Very low	44.6	Very low	156 Å²	156	140 Å²	140	73%	0.729	71%	0.714	S	S	*	*	S	Bend	trans	-79.1	-37.7	177.3	-167.4	147.6	-127.7	0	0	112.4	K604 K605 E606	E602-K604 VanDerWaalsContact C-N 3.33Å; E602-K604 PolarHBondContact O-N 3.5Å; E602-K605 WeakPolarHBondContact O-CB 3.11Å; E602-K605 PolarHBondContact O-N 3.15Å; E602-E606 PolarHBondContact O-N 3.36Å
603	A	48.3	Very low	45.6	Very low	65 Å²	65	138.6 Å²	138.6	54%	0.537	71%	0.714	S	S	.	*	H	α-helix	trans	-59.3	-36.8	179.9	0	0	0	0	0	114.1	K605 E607	A603-K605 PolarHBondContact O-N 3.44Å; A603-E607 PolarHBondContact O-N 2.75Å
604	K	47.1	Very low	46.5	Very low	113 Å²	113	137.4 Å²	137.4	49%	0.491	71%	0.709	S	S	.	*	H	α-helix	trans	-68.4	-25.5	178.2	-63.5	-174.8	-175.9	92.7	0	112.4	E600 E602 E608	E600-K604 PolarHBondContact O-NZ 2.82Å; E600-K604 IonicContact OE2-NZ 2.7Å; E600-K604 PolarHBondContact OE2-NZ 2.95Å; E602-K604 VanDerWaalsContact C-N 3.33Å; E602-K604 PolarHBondContact O-N 3.5Å; K604-E608 PolarHBondContact O-N 3.02Å
605	K	57.5	Low	47	Very low	147 Å²	147	141.2 Å²	141.2	64%	0.639	72%	0.72	S	S	*	*	H	α-helix	trans	-79.2	-37.1	-175	-164.5	178.3	177	-172.1	0	112.4	E602 A603 E609	E602-K605 WeakPolarHBondContact O-CB 3.11Å; E602-K605 PolarHBondContact O-N 3.15Å; A603-K605 PolarHBondContact O-N 3.44Å; K605-E609 PolarHBondContact O-N 3.11Å
606	E	54.6	Low	47	Very low	144 Å²	144	141 Å²	141	67%	0.673	73%	0.725	S	S	*	*	H	α-helix	trans	-72	-31.4	172.6	-64.9	-159.5	136.6	0	0	112.4	E602 M610	E602-E606 PolarHBondContact O-N 3.36Å; E606-M610 VanDerWaalsContact O-CB 3.29Å; E606-M610 WeakPolarHBondContact O-CB 3.45Å; E606-M610 PolarHBondContact O-N 2.94Å
607	E	53.1	Low	46.9	Very low	148 Å²	148	137.7 Å²	137.7	69%	0.692	73%	0.728	S	S	*	*	H	α-helix	trans	-67	-42.4	177	-169.7	169.7	-157.1	0	0	112.2	A603 M610 A611	A603-E607 PolarHBondContact O-N 2.75Å; E607-M610 PolarHBondContact O-N 3.15Å; E607-A611 PolarHBondContact O-N 3.28Å; E607-A611 VanDerWaalsContact O-N 3.08Å
608	E	58.4	Low	46.6	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.743	73%	0.726	S	S	*	*	H	α-helix	trans	-66.5	-37.4	176	-71.2	-169.2	157	0	0	112.9	K604 A612	K604-E608 PolarHBondContact O-N 3.02Å; E608-A612 PolarHBondContact O-N 2.7Å
609	E	58.3	Low	46.2	Very low	144 Å²	144	129.3 Å²	129.3	67%	0.673	72%	0.723	S	S	*	*	H	α-helix	trans	-73.6	-35.1	176.9	-168.4	161.7	-158.6	0	0	112.2	K605 A611 A612	K605-E609 PolarHBondContact O-N 3.11Å; E609-A611 VanDerWaalsContact C-N 3.33Å; E609-A611 PolarHBondContact O-N 3.44Å; E609-A612 PolarHBondContact O-N 3.14Å
610	M	53.2	Low	45.5	Very low	143 Å²	143	127.5 Å²	127.5	70%	0.704	72%	0.723	S	S	*	*	H	α-helix	trans	-67.4	-32.6	174.6	-164.7	175.2	-57.2	0	0	112.5	E606 E607	E606-M610 VanDerWaalsContact O-CB 3.29Å; E606-M610 WeakPolarHBondContact O-CB 3.45Å; E606-M610 PolarHBondContact O-N 2.94Å; E607-M610 PolarHBondContact O-N 3.15Å
611	A	56.3	Low	44.7	Very low	69 Å²	69	128.5 Å²	128.5	57%	0.57	73%	0.733	S	S	*	*	H	α-helix	trans	-66.2	-35.1	173.5	0	0	0	0	0	112.8	E607 E609 L613 A614	E607-A611 PolarHBondContact O-N 3.28Å; E607-A611 VanDerWaalsContact O-N 3.08Å; E609-A611 VanDerWaalsContact C-N 3.33Å; E609-A611 PolarHBondContact O-N 3.44Å; A611-L613 VanDerWaalsContact C-N 3.3Å; A611-L613 PolarHBondContact O-N 3.44Å; A611-A614 PolarHBondContact O-N 2.93Å
612	A	56.3	Low	43.8	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	72%	0.722	S	S	*	*	H	α-helix	trans	-65.9	-27	-175.5	0	0	0	0	0	114.2	E608 E609	E608-A612 PolarHBondContact O-N 2.7Å; E609-A612 PolarHBondContact O-N 3.14Å
613	L	47.9	Very low	43.2	Very low	153 Å²	153	126.4 Å²	126.4	80%	0.801	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-8.4	178.5	-67.8	173.5	0	0	0	113.8	A611 Q615	A611-L613 VanDerWaalsContact C-N 3.3Å; A611-L613 PolarHBondContact O-N 3.44Å; L613-Q615 PolarHBondContact O-N 3.39Å
614	A	46.4	Very low	42.4	Very low	69 Å²	69	131.5 Å²	131.5	57%	0.57	74%	0.739	S	S	*	*	S	Bend	trans	-97.8	23.7	-164.9	0	0	0	0	0	115.8	A611	A611-A614 PolarHBondContact O-N 2.93Å
615	Q	37.7	Very low	41.5	Very low	187 Å²	187	132.5 Å²	132.5	87%	0.874	76%	0.755	S	S	*	*	S	Bend	trans	-154.7	39.5	177.6	-125.7	154.9	117	0	0	119.8	L613	L613-Q615 PolarHBondContact O-N 3.39Å
616	T	32.2	Very low	40.1	Very low	148 Å²	148	128.6 Å²	128.6	91%	0.908	76%	0.756	S	S	*	*			trans	-127.9	59.8	165.3	50.2	0	0	0	0	114.6
617	A	29.2	Very low	38.9	Very low	109 Å²	109	130.5 Å²	130.5	90%	0.901	77%	0.765	S	S	*	*			trans	-141.1	94.5	167.6	0	0	0	0	0	111.9
618	G	28.4	Very low	37.7	Very low	79 Å²	79	132 Å²	132	81%	0.814	77%	0.772	S	S	*	*			trans	-176.9	85	-179.2	0	0	0	0	0	112.7
619	S	27.8	Very low	36.4	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	77%	0.77	S	S	*	*			trans	-83.3	177.7	-173.6	-62.5	0	0	0	0	114.6
620	S	28	Very low	34.9	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	78%	0.783	S	S	*	*			trans	98.4	135.5	170.9	81	0	0	0	0	114.8
621	D	28.3	Very low	33.7	Very low	165 Å²	165	127.3 Å²	127.3	88%	0.882	78%	0.78	S	S	*	*			cis	-156.5	171.6	-9.9	-155.4	-20.1	0	0	0	109.3
622	G	29.5	Very low	32.4	Very low	59 Å²	59	130.5 Å²	130.5	61%	0.608	79%	0.787	S	S	*	*			trans	116.5	66.3	143.4	0	0	0	0	0	121.6
623	R	29.2	Very low	31.1	Very low	232 Å²	232	134.5 Å²	134.5	88%	0.875	79%	0.792	S	S	*	*				77.1	149.1	122.4	-134	179.6	-173.2	162.1	3.1	121.7
624	K	30.6	Very low	30.2	Very low	172 Å²	172	135.1 Å²	135.1	75%	0.748	79%	0.79	S	S	*	*			trans	78.4	103.8	162.6	-69	-164.8	172	-172.2	0	117.2
625	T	27.9	Very low	29.3	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	79%	0.794	S	S	*	*				66.7	120.2	77.3	63.3	0	0	0	0	114
626	G	28.5	Very low	28.7	Very low	65 Å²	65	135.5 Å²	135.5	67%	0.67	79%	0.791	S	S	*	*			cis	165.6	-172.8	-1.3	0	0	0	0	0	111.8
627	E	30.2	Very low	28.7	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	79%	0.789	S	S	*	*			trans	64.8	143	159.8	-70.7	160.3	-164	0	0	118.3
628	E	27	Very low	28.5	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	78%	0.781	S	S	*	*			cis	-167.1	-176.5	-22.6	-137.3	170.8	-142.1	0	0	110.6
629	A	30.9	Very low	28.5	Very low	85 Å²	85	139 Å²	139	70%	0.702	79%	0.785	S	S	*	*			trans	69	129.6	177.1	0	0	0	0	0	116.3
630	E	27.6	Very low	28.4	Very low	202 Å²	202	137.1 Å²	137.1	94%	0.944	78%	0.776	S	S	*	*			cis	70.3	131.9	39.8	-55.8	-167.5	154.8	0	0	114.1
631	G	26.9	Very low	28.6	Very low	62 Å²	62	138.8 Å²	138.8	64%	0.639	78%	0.776	S	S	*	*			cis	-179.3	-170.7	-0.8	0	0	0	0	0	113
632	N	29.7	Very low	28.6	Very low	136 Å²	136	139 Å²	139	73%	0.727	78%	0.776	S	S	*	*			trans	70.5	120.2	172.1	-66.1	56.4	0	0	0	116.1
633	E	29.5	Very low	28.6	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	78%	0.776	S	S	*	*				71.1	135.6	90.8	-65.1	169.8	165.4	0	0	113.2
634	E	29.4	Very low	28.5	Very low	165 Å²	165	136.6 Å²	136.6	77%	0.771	77%	0.772	S	S	*	*			cis	-156.5	163.7	12.4	-139	-159.2	115.8	0	0	112
635	S	27.1	Very low	28.4	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	77%	0.768	S	S	*	*			trans	50.4	118.8	146.4	-71.6	0	0	0	0	123.7
636	Q	25.2	Very low	28.5	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	76%	0.762	S	S	*	*			trans	92.4	103	131.2	-160.5	168.4	100.5	0	0	122.3
637	L	31.4	Very low	28.4	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	76%	0.76	S	S	*	*			trans	51.4	104.9	142.8	-60.7	172.1	0	0	0	121.2
638	G	25.3	Very low	28.3	Very low	71 Å²	71	132 Å²	132	73%	0.732	75%	0.748	S	S	*	*			trans	161.7	144.5	151.6	0	0	0	0	0	116
639	L	27.8	Very low	28.3	Very low	170 Å²	170	133.6 Å²	133.6	89%	0.89	75%	0.746	S	S	*	*			trans	61.7	124.3	171.8	-55.6	170.6	0	0	0	115.4
640	A	26.9	Very low	28.1	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	75%	0.751	S	S	*	*			cis	76.4	124	16.8	0	0	0	0	0	117.3
641	N	31.1	Very low	28	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	74%	0.74	S	S	*	*			trans	90.1	156	170.5	-61.8	-36.3	0	0	0	119.4
642	L	29.2	Very low	28.1	Very low	168 Å²	168	132.8 Å²	132.8	88%	0.88	75%	0.746	S	S	*	*			trans	71.7	92.6	-163.5	-53.6	178.4	0	0	0	112.2
643	N	28.7	Very low	27.9	Very low	114 Å²	114	134.9 Å²	134.9	61%	0.61	75%	0.749	S	S	*	*			cis	61.8	89.8	20.9	-173.7	21.4	0	0	0	116.1	N645	N643-N645 PolarHBondContact OD1-ND2 3.39Å
644	T	28.3	Very low	27.7	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	75%	0.754	S	S	*	*			trans	-145.4	121.3	134.9	25.9	0	0	0	0	106.1
645	N	28.2	Very low	27.4	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	75%	0.752	S	S	*	*				66	138.4	69.2	-68.7	-38.6	0	0	0	111.9	N643	N643-N645 PolarHBondContact OD1-ND2 3.39Å
646	N	29.4	Very low	27.6	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	76%	0.761	S	S	*	*			cis	-151.5	170.7	15	-165	4.8	0	0	0	111.4
647	S	27.1	Very low	28.1	Very low	89 Å²	89	134 Å²	134	62%	0.622	76%	0.759	S	S	*	*			trans	-48.2	173.2	145.2	-41	0	0	0	0	110.6
648	N	27.1	Very low	27.8	Very low	114 Å²	114	130.7 Å²	130.7	61%	0.61	76%	0.755	S	S	*	*				168.1	152.5	60.9	-139.8	-25.3	0	0	0	109.4
649	R	27.9	Very low	27.8	Very low	211 Å²	211	131 Å²	131	80%	0.796	75%	0.751	S	S	*	*			trans	62.1	170.8	148.6	-79	166.3	-178.7	-162.6	-1.5	117.5
650	L	26.5	Very low	27.6	Very low	152 Å²	152	131.7 Å²	131.7	80%	0.796	75%	0.747	S	S	*	*			cis	-118.3	141.5	-17.4	-83.5	102.4	0	0	0	106.7
651	A	26.3	Very low	27.6	Very low	86 Å²	86	134.2 Å²	134.2	71%	0.711	75%	0.75	S	S	*	*				79.9	116.7	55.4	0	0	0	0	0	116.1
652	A	27.5	Very low	27.3	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	75%	0.746	S	S	*	*			trans	69.8	140.6	168.7	0	0	0	0	0	117.5
653	K	26.3	Very low	27.2	Very low	180 Å²	180	129.9 Å²	129.9	78%	0.783	74%	0.735	S	S	*	*			cis	-163.1	150	48.8	-70.7	159.6	-176.7	158.3	0	113.3
654	R	24.6	Very low	27.1	Very low	235 Å²	235	129.1 Å²	129.1	89%	0.887	74%	0.744	S	S	*	*			trans	63	157.3	146.4	-68.1	173.4	-177.5	-173	-1.5	117.7
655	S	23.8	Very low	27.1	Very low	104 Å²	104	128 Å²	128	73%	0.727	74%	0.742	S	S	*	*			cis	-167.6	156.5	-17.9	-95.5	0	0	0	0	109.3
656	C	31.4	Very low	27.1	Very low	123 Å²	123	126.8 Å²	126.8	83%	0.831	75%	0.748	S	S	*	*			trans	-73.7	156.7	168.3	-43.9	0	0	0	0	112.2
657	P	36.1	Very low	27	Very low	118 Å²	118	123.7 Å²	123.7	77%	0.766	75%	0.748	S	S	*	*				-135.3	160.5	100.9	14.7	8.5	0	0	0	112.7
658	A	24.2	Very low	27	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	76%	0.758	S	S	*	*			cis	76.2	140.5	48	0	0	0	0	0	113.3
659	A	26	Very low	27.9	Very low	79 Å²	79	126.2 Å²	126.2	65%	0.653	76%	0.76	S	S	*	*			cis	-170.2	-162.4	-6.1	0	0	0	0	0	110
660	F	23.8	Very low	27.9	Very low	183 Å²	183	124 Å²	124	80%	0.803	76%	0.763	S	S	*	*			trans	81.5	142.4	169.3	-60.7	-87.5	0	0	0	117.4
661	D	26.2	Very low	27.8	Very low	134 Å²	134	126.2 Å²	126.2	72%	0.717	77%	0.766	S	S	*	*			cis	-171.1	178.9	-29.8	-110.1	14	0	0	0	106.4
662	D	25.2	Very low	27.8	Very low	138 Å²	138	129 Å²	129	74%	0.738	78%	0.775	S	S	*	*			cis	-130.9	-113.6	12.9	-170.2	-35.8	0	0	0	110
663	S	27.7	Very low	27.6	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	78%	0.778	S	S	*	*			trans	-159.9	168.2	-163.9	65.5	0	0	0	0	114.7
664	A	25.3	Very low	29	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	78%	0.776	S	S	*	*			trans	-144.5	121.4	148.1	0	0	0	0	0	107.8
665	S	28.2	Very low	28.9	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	77%	0.774	S	S	*	*			cis	76.2	136.8	23.2	-156.1	0	0	0	0	114
666	A	29.2	Very low	29.1	Very low	97 Å²	97	130 Å²	130	80%	0.802	78%	0.777	S	S	*	*			cis	-171.8	171	-23.3	0	0	0	0	0	109.4
667	G	25.8	Very low	28.9	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	78%	0.781	S	S	*	*			trans	146.4	123.2	167.5	0	0	0	0	0	113.5
668	N	27.9	Very low	28.5	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	78%	0.778	S	S	*	*			cis	66.7	149.5	7.2	-132.9	9	0	0	0	114.2
669	P	45.2	Very low	28.9	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	78%	0.778	S	S	*	*			cis	-122.9	-171.4	-7.5	23	3.9	0	0	0	111.5
670	L	28.3	Very low	29.1	Very low	166 Å²	166	138.7 Å²	138.7	87%	0.869	79%	0.785	S	S	*	*				-173.1	162.4	66.8	-92.9	171.4	0	0	0	114
671	K	25.3	Very low	29.4	Very low	197 Å²	197	136.4 Å²	136.4	86%	0.857	78%	0.782	S	S	*	*			trans	-99.2	147.9	173.4	-69	164.9	176.4	161.9	0	111.5
672	V	25.6	Very low	29.5	Very low	146 Å²	146	135.4 Å²	135.4	89%	0.885	78%	0.784	S	S	*	*			trans	-135.2	142.4	149.2	-173.9	0	0	0	0	110.1
673	K	24.4	Very low	29.7	Very low	195 Å²	195	135.2 Å²	135.2	85%	0.848	78%	0.78	S	S	*	*			trans	-153.5	162.4	173.4	-96.3	-169.8	177	-176.4	0	107.4
674	P	54.2	Low	29.8	Very low	113 Å²	113	141 Å²	141	73%	0.734	79%	0.788	S	S	*	*			cis	-131	-171.8	-30.4	39.8	-24.2	0	0	0	111.3
675	S	24.1	Very low	30	Very low	122 Å²	122	143.9 Å²	143.9	85%	0.853	79%	0.789	S	S	*	*			trans	-141.4	165.1	155.8	68.4	0	0	0	0	110.9
676	Y	26.6	Very low	30.8	Very low	204 Å²	204	143.6 Å²	143.6	80%	0.8	78%	0.784	S	S	*	*			trans	-157.7	121.1	-146.8	-163.6	-74.3	0	0	0	112.8
677	Q	26.9	Very low	31	Very low	192 Å²	192	146.5 Å²	146.5	90%	0.897	78%	0.781	S	S	*	*			trans	-176.1	156	159.9	-102.4	139.4	18.5	0	0	111.3
678	S	28	Very low	31.2	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	78%	0.782	S	S	*	*			cis	-178.3	136.7	-37.4	174.9	0	0	0	0	107.1
679	C	34	Very low	31.3	Very low	118 Å²	118	149.1 Å²	149.1	80%	0.797	78%	0.78	S	S	*	*			trans	-67.7	154.9	178	-56.4	0	0	0	0	114.1
680	K	28.9	Very low	30.5	Very low	187 Å²	187	155.2 Å²	155.2	81%	0.813	79%	0.79	S	S	*	*			trans	-171	138.5	143.1	-98.1	167.7	-174.1	179.1	0	106.2
681	D	30.5	Very low	30.4	Very low	136 Å²	136	152.4 Å²	152.4	73%	0.727	78%	0.784	S	S	*	*			cis	-152.4	170.3	23.2	-99.1	-47.3	0	0	0	113.5
682	C	28.7	Very low	30.5	Very low	113 Å²	113	149.8 Å²	149.8	76%	0.764	78%	0.779	S	S	*	*			trans	70.2	147.4	158	-71.8	0	0	0	0	122.1
683	M	28.2	Very low	30.7	Very low	134 Å²	134	154.2 Å²	154.2	66%	0.66	78%	0.78	S	S	*	*			cis	-169.9	140.5	-38.5	-109.9	-104.6	-81.3	0	0	112.9
684	R	29.7	Very low	31.4	Very low	214 Å²	214	151.1 Å²	151.1	81%	0.808	78%	0.779	S	S	*	*			trans	65	98.5	154.4	-78.5	174.3	-175.6	172.5	2.9	123.4
685	L	29.9	Very low	30.2	Very low	158 Å²	158	150.9 Å²	150.9	83%	0.827	79%	0.787	S	S	*	*				-14.6	157	117.3	-91.5	170.7	0	0	0	117.9
686	P	46.2	Very low	30.3	Very low	100 Å²	100	149 Å²	149	65%	0.649	79%	0.787	S	S	*	*				-158.5	150.9	67.1	40.4	-18.3	0	0	0	122.7
687	Q	32.6	Very low	30.3	Very low	158 Å²	158	142.8 Å²	142.8	74%	0.738	79%	0.785	S	S	*	*			trans	67.3	158.2	146.2	-63.7	167.2	53	0	0	118.7
688	G	29.4	Very low	30.4	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	79%	0.787	S	S	*	*			cis	155.6	162.1	-3.8	0	0	0	0	0	110.9
689	R	30.1	Very low	30.4	Very low	208 Å²	208	145.4 Å²	145.4	79%	0.785	79%	0.787	S	S	*	*			cis	-159.6	141.9	0.8	-57.1	175.7	179	-168.9	-0.8	112
690	R	28.5	Very low	30.1	Very low	227 Å²	227	147.4 Å²	147.4	86%	0.857	78%	0.784	S	S	*	*			trans	56.1	158	139.4	-69.3	-170.5	176.1	-152.1	0.7	125
691	C	27.1	Very low	30.1	Very low	108 Å²	108	149 Å²	149	73%	0.73	79%	0.785	S	S	*	*			trans	103.6	139.1	148.8	-64.7	0	0	0	0	117.2
692	D	26.4	Very low	29.9	Very low	142 Å²	142	150.9 Å²	150.9	76%	0.759	79%	0.794	S	S	*	*			cis	-165.4	156.4	-29.8	-107.3	-47	0	0	0	107.8
693	R	30.9	Very low	29.9	Very low	238 Å²	238	152.6 Å²	152.6	90%	0.898	80%	0.796	S	S	*	*			trans	-84.8	152.2	171.9	-83.8	-175.9	171.4	179.7	-1.9	110.7
694	P	38.5	Very low	30.9	Very low	130 Å²	130	150.9 Å²	150.9	84%	0.844	80%	0.795	S	S	*	*				-146.3	175.6	105	38.8	-23.3	0	0	0	116.6
695	A	28.1	Very low	30.8	Very low	109 Å²	109	145.3 Å²	145.3	90%	0.901	79%	0.788	S	S	*	*			trans	-57.1	161.9	-173.4	0	0	0	0	0	119
696	G	27.9	Very low	30.8	Very low	81 Å²	81	147.9 Å²	147.9	84%	0.835	79%	0.787	S	S	*	*			trans	177.2	147.1	163.5	0	0	0	0	0	110.4
697	G	25.8	Very low	30	Very low	75 Å²	75	151 Å²	151	77%	0.773	79%	0.792	S	S	*	*			trans	-177.7	-176.6	179.1	0	0	0	0	0	116.4
698	R	29.4	Very low	29.7	Very low	248 Å²	248	148.6 Å²	148.6	94%	0.936	79%	0.792	S	S	*	*			trans	79.7	144	179.8	-65.9	-173.8	167.3	-171.7	-4.2	118.9
699	S	28.3	Very low	29.7	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	80%	0.797	S	S	*	*			trans	93.6	91.3	148.5	-62.8	0	0	0	0	122.1
700	H	26.4	Very low	29.8	Very low	160 Å²	160	147.4 Å²	147.4	74%	0.741	79%	0.794	S	S	*	*				51.2	122.1	117.4	-65.3	-70.9	0	0	0	123
701	R	28.5	Very low	30.2	Very low	221 Å²	221	142.6 Å²	142.6	83%	0.834	79%	0.792	S	S	*	*			trans	44.7	123.4	131.1	-57.9	-177.7	176.6	-173.9	0.6	119.4
702	L	27	Very low	30.3	Very low	174 Å²	174	142.3 Å²	142.3	91%	0.911	79%	0.791	S	S	*	*				-175.8	167.4	96.8	-93.8	172.9	0	0	0	112.4
703	N	29.3	Very low	30.4	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	80%	0.795	S	S	*	*			trans	-119	178.8	-179.1	-127.5	-11.7	0	0	0	108.1
704	P	49.1	Very low	30.3	Very low	98 Å²	98	137.6 Å²	137.6	64%	0.636	79%	0.79	S	S	*	*			cis	-142.2	177.4	-6.9	40	-20.1	0	0	0	117.6
705	S	27.1	Very low	29.9	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	79%	0.79	S	S	*	*			trans	68	120.1	142.5	70	0	0	0	0	123.6
706	R	31	Very low	30	Very low	212 Å²	212	141.1 Å²	141.1	80%	0.8	79%	0.785	S	S	*	*				169.4	130.4	98.6	-92.1	-166.3	-176.3	-151.2	2.8	114.4
707	H	28.8	Very low	31.1	Very low	164 Å²	164	142.5 Å²	142.5	76%	0.759	78%	0.779	S	S	*	*			trans	59	153.6	165	-50.7	-65.2	0	0	0	117.2
708	C	26.3	Very low	31.8	Very low	108 Å²	108	145.2 Å²	145.2	73%	0.73	78%	0.783	S	S	*	*			cis	-157.5	167.3	19.3	-150.2	0	0	0	0	114.2
709	T	29.2	Very low	31.8	Very low	134 Å²	134	137 Å²	137	82%	0.822	78%	0.776	S	S	*	*			trans	66.8	137.2	158.6	33.6	0	0	0	0	122.1
710	V	33.1	Very low	31.9	Very low	120 Å²	120	138.4 Å²	138.4	73%	0.727	78%	0.78	S	S	*	*			trans	-125.8	149.8	175.8	174.4	0	0	0	0	108.1
711	P	35.5	Very low	32	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	78%	0.784	S	S	*	*			trans	-99.5	126.8	161	34	-26	0	0	0	111.6
712	S	30.4	Very low	32	Very low	103 Å²	103	137 Å²	137	72%	0.72	78%	0.781	S	S	*	*			trans	-129.3	138.3	171	-60.7	0	0	0	0	109.8
713	I	28.3	Very low	31.9	Very low	164 Å²	164	135.3 Å²	135.3	84%	0.841	78%	0.778	S	S	*	*			trans	-139.4	122.9	165.1	-59	-178	0	0	0	108.5
714	C	28.3	Very low	31.9	Very low	117 Å²	117	132.4 Å²	132.4	79%	0.791	77%	0.769	S	S	*	*			trans	-137.2	140.2	167.4	-56.5	0	0	0	0	107.4
715	I	29.3	Very low	31	Very low	166 Å²	166	134.3 Å²	134.3	85%	0.851	78%	0.779	S	S	*	*			trans	-141.1	140.2	163.5	-62.8	-173.4	0	0	0	108.1
716	D	31.3	Very low	32.2	Very low	147 Å²	147	135 Å²	135	79%	0.786	78%	0.782	S	S	*	*			trans	-96.2	171.7	-166.4	-86.7	-59.3	0	0	0	115.3
717	P	51.4	Low	32.1	Very low	110 Å²	110	131 Å²	131	71%	0.714	78%	0.78	S	S	*	*			trans	-99	164.5	-172.2	38.6	-36.9	0	0	0	115.6
718	P	39.9	Very low	32.1	Very low	131 Å²	131	131 Å²	131	85%	0.851	79%	0.785	S	S	*	*			trans	-111.2	170.1	149.2	38.2	-28.7	0	0	0	110.9
719	G	28.7	Very low	32.2	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	79%	0.788	S	S	*	*			cis	171.7	153.4	-1.2	0	0	0	0	0	109.1
720	T	31.6	Very low	32.2	Very low	130 Å²	130	131.5 Å²	131.5	80%	0.798	79%	0.789	S	S	*	*			trans	-80.6	156.8	-175.9	42.1	0	0	0	0	113.7
721	H	28.5	Very low	32.9	Very low	175 Å²	175	131.5 Å²	131.5	81%	0.81	79%	0.792	S	S	*	*			trans	178.4	127.2	134.5	-92.7	-65.4	0	0	0	114.3
722	F	28.1	Very low	32.5	Very low	177 Å²	177	129.9 Å²	129.9	78%	0.776	79%	0.789	S	S	*	*			trans	11.7	128	154.4	-70.1	-100.3	0	0	0	123.4
723	T	25.4	Very low	32.4	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	79%	0.79	S	S	*	*				166.8	167.5	115.2	34	0	0	0	0	110.1
724	S	28	Very low	32.6	Very low	88 Å²	88	130.3 Å²	130.3	62%	0.615	79%	0.787	S	S	*	*			cis	171.3	90.2	-46.7	-87.2	0	0	0	0	109
725	T	30.9	Very low	33.5	Very low	138 Å²	138	129.6 Å²	129.6	85%	0.847	78%	0.781	S	S	*	*			trans	61.8	167.8	158.1	59.9	0	0	0	0	120.3
726	P	51.9	Low	33.4	Very low	113 Å²	113	126.5 Å²	126.5	73%	0.734	77%	0.774	S	S	*	*			cis	-134.4	-133.6	-44.9	39.9	-22.1	0	0	0	111.4
727	V	28.9	Very low	33.3	Very low	128 Å²	128	124.3 Å²	124.3	78%	0.776	77%	0.771	S	S	*	*			trans	85.9	104.2	178.8	-171.7	0	0	0	0	113.2
728	L	28.8	Very low	32.3	Very low	163 Å²	163	127 Å²	127	85%	0.853	78%	0.778	S	S	*	*			cis	91.8	98.4	42.5	-175.9	91.2	0	0	0	113.6
729	S	29.4	Very low	31.8	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	77%	0.774	S	S	*	*			trans	178.6	113.1	131.3	58.4	0	0	0	0	113.6
730	T	29.1	Very low	31.9	Very low	138 Å²	138	132 Å²	132	85%	0.847	78%	0.778	S	S	*	*			trans	-86	177.1	143.2	47.8	0	0	0	0	108.1
731	P	46.1	Very low	32.5	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	77%	0.773	S	S	*	*			cis	-141	-157.3	13.9	45	-24.9	0	0	0	115.2
732	A	28.1	Very low	32.3	Very low	90 Å²	90	128.8 Å²	128.8	74%	0.744	78%	0.776	S	S	*	*			trans	82.8	151.3	162.7	0	0	0	0	0	118.7
733	V	29.1	Very low	32.4	Very low	121 Å²	121	126.3 Å²	126.3	73%	0.733	78%	0.776	S	S	*	*			cis	164.1	124.5	-42.3	148.1	0	0	0	0	108.6
734	I	31	Very low	32.6	Very low	155 Å²	155	126.7 Å²	126.7	80%	0.795	77%	0.773	S	S	*	*			trans	68.2	143.4	158.7	-77.2	170	0	0	0	117.7
735	P	46.9	Very low	32.8	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	78%	0.776	S	S	*	*			cis	-147.1	-166.4	-28	44.3	-24.3	0	0	0	115.7
736	S	29	Very low	32.8	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	78%	0.781	S	S	*	*			trans	72.7	110	141.4	-63.4	0	0	0	0	124.6
737	S	29	Very low	31.8	Very low	101 Å²	101	137 Å²	137	71%	0.706	78%	0.781	S	S	*	*				85.5	123.4	115.9	74.4	0	0	0	0	124.2
738	L	30.7	Very low	31.7	Very low	166 Å²	166	136.7 Å²	136.7	87%	0.869	78%	0.784	S	S	*	*			trans	88.8	148.1	133.7	-75.9	167.3	0	0	0	123
739	V	29.1	Very low	31.8	Very low	126 Å²	126	133.5 Å²	133.5	76%	0.764	78%	0.775	S	S	*	*			trans	69.8	95.4	167.9	-160.6	0	0	0	0	119.6
740	Q	31.1	Very low	31.9	Very low	188 Å²	188	133.1 Å²	133.1	88%	0.879	77%	0.772	S	S	*	*				44.3	165.1	110.6	-94	-160	-22.6	0	0	122.3
741	P	42.7	Very low	32.1	Very low	106 Å²	106	131.9 Å²	131.9	69%	0.688	77%	0.768	S	S	*	*				-115.4	174.9	-126.8	43.5	-36.5	0	0	0	115.7
742	C	24.3	Very low	31.5	Very low	130 Å²	130	131.5 Å²	131.5	88%	0.878	76%	0.763	S	S	*	*			trans	-137.4	133.9	162.5	-80.8	0	0	0	0	111.2
743	T	31.2	Very low	31.8	Very low	126 Å²	126	135.1 Å²	135.1	77%	0.773	77%	0.769	S	S	*	*			trans	-105.7	149.7	169.6	46.8	0	0	0	0	110.3
744	N	30.2	Very low	31.8	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	76%	0.764	S	S	*	*			trans	-148.7	113.3	160.1	-89.1	-44.8	0	0	0	107.1
745	F	31.8	Very low	31.8	Very low	155 Å²	155	130 Å²	130	68%	0.68	76%	0.762	S	S	*	*				76.8	118.5	80.6	-96.6	-75.9	0	0	0	113.9
746	Y	30.2	Very low	30.9	Very low	241 Å²	241	131.7 Å²	131.7	95%	0.945	77%	0.771	S	S	*	*				-156	163.5	124.8	-101.4	-65	0	0	0	110.4
747	Q	30.8	Very low	30.9	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.743	78%	0.775	S	S	*	*			trans	-157	139.6	-152.5	177.1	-171	16.7	0	0	112.1
748	C	26.7	Very low	30.9	Very low	122 Å²	122	133.6 Å²	133.6	82%	0.824	78%	0.779	S	S	*	*			trans	172.6	157.4	155.5	-102.5	0	0	0	0	108.6
749	S	30.6	Very low	31.5	Very low	96 Å²	96	130.5 Å²	130.5	67%	0.671	77%	0.769	S	S	*	*			cis	-171.1	135.4	-19.2	45.5	0	0	0	0	105.3
750	S	31.6	Very low	31.5	Very low	105 Å²	105	133.1 Å²	133.1	73%	0.734	77%	0.772	S	S	*	*				-165	132.5	66.2	-66	0	0	0	0	113.3
751	C	33.7	Very low	31.5	Very low	112 Å²	112	128.3 Å²	128.3	76%	0.757	77%	0.765	S	S	*	*				22.7	141.1	124.4	-56.5	0	0	0	0	121
752	T	34.1	Very low	30.9	Very low	114 Å²	114	129.9 Å²	129.9	70%	0.699	77%	0.768	S	S	*	*			cis	-171.6	148.8	-0.9	16.6	0	0	0	0	112.2
753	L	34.7	Very low	31.2	Very low	166 Å²	166	130.6 Å²	130.6	87%	0.869	76%	0.758	S	S	*	*			trans	57.1	143.6	152.8	-84.7	72.8	0	0	0	120.1
754	G	28.6	Very low	31.1	Very low	60 Å²	60	132.1 Å²	132.1	62%	0.619	76%	0.756	S	S	*	*			cis	164.2	172.3	-6.1	0	0	0	0	0	113.4
755	S	30.7	Very low	31.1	Very low	108 Å²	108	134 Å²	134	76%	0.755	76%	0.757	S	S	*	*			trans	41.1	135.1	153.5	56.4	0	0	0	0	120
756	T	27.7	Very low	30.9	Very low	137 Å²	137	133.2 Å²	133.2	84%	0.84	76%	0.759	S	S	*	*			cis	-173.8	168.2	9.5	15.5	0	0	0	0	104.9
757	S	29	Very low	30.7	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	75%	0.753	S	S	*	*			cis	-166.1	170.4	26.7	42.7	0	0	0	0	110.4
758	T	30.1	Very low	30.7	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	75%	0.752	S	S	*	*			trans	-87.3	-175.5	161.6	53.5	0	0	0	0	110.3
759	P	43.4	Very low	31.8	Very low	102 Å²	102	127.5 Å²	127.5	66%	0.662	75%	0.748	S	S	*	*			cis	-138.3	-179.5	2.6	44.1	-25.4	0	0	0	117.5
760	E	28.9	Very low	31.6	Very low	180 Å²	180	131.5 Å²	131.5	84%	0.841	76%	0.758	S	S	*	*			trans	55	112.3	141.4	-74.8	169.9	168.5	0	0	124.7
761	A	31.3	Very low	31.5	Very low	88 Å²	88	133.3 Å²	133.3	73%	0.727	76%	0.76	S	S	*	*				85.9	137.8	115.7	0	0	0	0	0	124.4
762	N	28.5	Very low	31.2	Very low	139 Å²	139	134 Å²	134	74%	0.743	76%	0.764	S	S	*	*			trans	92.7	125.4	144.4	-79.5	-24.1	0	0	0	124.5
763	H	31.2	Very low	30.9	Very low	145 Å²	145	136.9 Å²	136.9	67%	0.671	77%	0.77	S	S	*	*			trans	88.9	119.4	137	-75.8	-32.3	0	0	0	124.7
764	Q	29.1	Very low	30.5	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	77%	0.771	S	S	*	*				87.8	101.2	128.7	-68.7	177.7	44.1	0	0	123.4
765	K	30.1	Very low	30.5	Very low	186 Å²	186	141.7 Å²	141.7	81%	0.809	78%	0.781	S	S	*	*				70.5	155.8	106.6	-140.4	177.6	-172.3	-178.2	0	121.4
766	L	27.8	Very low	31.9	Very low	138 Å²	138	141.8 Å²	141.8	72%	0.723	78%	0.779	S	S	*	*			trans	83	150.3	171.5	-55.4	165.4	0	0	0	115.1
767	F	26.1	Very low	33	Very low	183 Å²	183	141.1 Å²	141.1	80%	0.803	78%	0.777	S	S	*	*			cis	-147.4	168.5	4.6	-123.1	-60.4	0	0	0	110.8
768	S	30.5	Very low	33.2	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	78%	0.782	S	S	*	*			trans	-115.7	162.6	164.6	-48.9	0	0	0	0	110.3
769	P	49.2	Very low	33.1	Very low	116 Å²	116	140.5 Å²	140.5	75%	0.753	78%	0.776	S	S	*	*				-157.6	170.1	106.4	40.1	-21.5	0	0	0	118.1
770	M	28.2	Very low	32.5	Very low	180 Å²	180	141.4 Å²	141.4	89%	0.887	78%	0.784	S	S	*	*			trans	33.5	140.7	148.3	-61.1	-179.4	-165.1	0	0	122.4
771	N	29.7	Very low	32.5	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	78%	0.778	S	S	*	*			cis	98.8	124.3	24.7	-165.4	80.9	0	0	0	115.1
772	C	26.1	Very low	32.5	Very low	126 Å²	126	139.8 Å²	139.8	85%	0.851	78%	0.782	S	S	*	*			trans	-178.3	165.9	156.9	-102.7	0	0	0	0	112.9
773	E	28.1	Very low	32.5	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	79%	0.786	S	S	*	*			trans	-113.4	169.8	-172.1	-62.2	154.7	87.3	0	0	113.5
774	E	26.4	Very low	32.5	Very low	191 Å²	191	139.9 Å²	139.9	89%	0.893	79%	0.786	S	S	*	*				174.1	171.2	123.1	-95.4	-173.3	163	0	0	113.6
775	T	29.1	Very low	32.6	Very low	135 Å²	135	140.6 Å²	140.6	83%	0.828	79%	0.789	S	S	*	*			trans	-126	-143.3	-167.4	46.9	0	0	0	0	115.4
776	P	59.4	Low	32.6	Very low	110 Å²	110	138 Å²	138	71%	0.714	78%	0.784	S	S	*	*				-100.4	-170.7	-121	42	-28.4	0	0	0	115.6
777	P	51.9	Low	32.7	Very low	123 Å²	123	138.3 Å²	138.3	80%	0.799	78%	0.783	S	S	*	*				-150.3	-174	115.8	39.9	-22.4	0	0	0	117.3
778	D	31.7	Very low	32.9	Very low	166 Å²	166	138 Å²	138	89%	0.888	78%	0.784	S	S	*	*			trans	-91.5	177.2	-160.4	-45.7	-94	0	0	0	119.9
779	G	29.2	Very low	33.1	Very low	64 Å²	64	140 Å²	140	66%	0.66	78%	0.782	S	S	*	*			trans	135.4	118.1	155	0	0	0	0	0	114.7
780	S	30.1	Very low	33.1	Very low	120 Å²	120	140.1 Å²	140.1	84%	0.839	78%	0.783	S	S	*	*				63.3	133.1	62.5	75.9	0	0	0	0	114.3
781	S	29.8	Very low	33.3	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	77%	0.772	S	S	*	*			cis	-174	146	8.3	45.4	0	0	0	0	113.5
782	V	30.7	Very low	33.3	Very low	133 Å²	133	138.5 Å²	138.5	81%	0.806	77%	0.774	S	S	*	*				64.1	164.3	129.2	-174.1	0	0	0	0	121.3
783	E	28.9	Very low	33.4	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	77%	0.771	S	S	*	*			trans	88.4	150.2	171.7	-57.5	-169.9	167.3	0	0	118.4
784	T	31	Very low	33.4	Very low	109 Å²	109	135.1 Å²	135.1	67%	0.669	77%	0.771	S	S	*	*				-164.2	170.6	-59.8	8.8	0	0	0	0	110.2
785	E	31.6	Very low	33.5	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	76%	0.764	S	S	*	*			trans	69.5	150.3	157.2	-79.4	161.3	-157	0	0	117.9
786	D	29.1	Very low	33.6	Very low	130 Å²	130	133.1 Å²	133.1	70%	0.695	76%	0.76	S	S	*	*			cis	-161.5	166.7	-10.5	-142.7	-16	0	0	0	112.7
787	M	30.8	Very low	32.3	Very low	145 Å²	145	134.2 Å²	134.2	71%	0.714	76%	0.76	S	S	*	*			trans	57.7	157.7	158.4	-64.2	-164.6	-53.8	0	0	120.2
788	E	29.6	Very low	31.3	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	76%	0.758	S	S	*	*			cis	-154.4	161	-11.3	-120.9	178.1	164.3	0	0	109.3
789	E	35.7	Very low	31.4	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.682	74%	0.744	S	S	*	*			trans	-120.2	147	171.5	-164.5	-163.1	-110.7	0	0	109.4	Q791	E789-Q791 WeakPolarHBondContact OE2-CG 3.35Å; E789-Q791 PolarHBondContact OE2-NE2 3.28Å
790	P	47.6	Very low	31.6	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	75%	0.746	S	S	*	*				-152.5	121.7	118.6	33.9	-14.4	0	0	0	117.3
791	Q	32.3	Very low	31.7	Very low	138 Å²	138	139 Å²	139	65%	0.645	74%	0.741	S	S	*	*				47.4	135.2	113.1	-65.8	-174.4	19	0	0	125.1	E789	E789-Q791 WeakPolarHBondContact OE2-CG 3.35Å; E789-Q791 PolarHBondContact OE2-NE2 3.28Å
792	N	30.9	Very low	32	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	74%	0.741	S	S	*	*			trans	75.5	142.5	140.3	-58.7	-18.8	0	0	0	121.9
793	G	27.8	Very low	32.2	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	74%	0.74	S	S	*	*			trans	159.5	60.9	163	0	0	0	0	0	120.1
794	D	27.8	Very low	32.6	Very low	153 Å²	153	136.9 Å²	136.9	82%	0.818	74%	0.735	S	S	*	*			trans	9.3	156.6	150.9	-73.9	-47.3	0	0	0	126.1
795	L	29.5	Very low	32.8	Very low	144 Å²	144	140.9 Å²	140.9	75%	0.754	75%	0.747	S	S	*	*			trans	86.8	113.3	142.2	-107.3	75.3	0	0	0	123.9
796	L	30.3	Very low	33	Very low	140 Å²	140	137.1 Å²	137.1	73%	0.733	75%	0.745	S	S	*	*				45.3	136.5	123.1	-66.4	178.4	0	0	0	125
797	D	31.4	Very low	33.3	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	75%	0.752	S	S	*	*				100.8	120.5	124.8	-89.3	-32.3	0	0	0	126.3
798	E	32.5	Very low	33.4	Very low	165 Å²	165	138.6 Å²	138.6	77%	0.771	75%	0.754	S	S	*	*				86.6	162.1	124.4	-135.4	-149.6	158	0	0	125.2
799	V	32.1	Very low	33.7	Very low	97 Å²	97	135.6 Å²	135.6	59%	0.588	75%	0.747	S	S	*	*			trans	79.8	93.6	154.8	-99.3	0	0	0	0	126
800	T	33.7	Very low	33.7	Very low	113 Å²	113	134 Å²	134	69%	0.693	75%	0.748	S	S	*	*			trans	68.8	169.5	131.6	63.4	0	0	0	0	120.9
801	R	33.8	Very low	33.1	Very low	198 Å²	198	137.2 Å²	137.2	75%	0.747	75%	0.752	S	S	*	*			cis	-158.9	164.2	10.8	-143.8	159.9	-176.9	136.3	-0.2	114.7
802	Q	36	Very low	33.3	Very low	152 Å²	152	134.9 Å²	134.9	71%	0.71	76%	0.757	S	S	*	*			trans	-6.9	158.8	158.2	-56.1	163.5	-71.5	0	0	119.9
803	S	33.7	Very low	33.5	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	76%	0.762	S	S	*	*			cis	-166.7	175.2	40.2	-38.3	0	0	0	0	115.9
804	S	37.2	Very low	33.7	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.761	S	S	*	*			trans	-52.3	177.8	172.5	49.9	0	0	0	0	118.9
805	E	35.6	Very low	33.8	Very low	194 Å²	194	135.8 Å²	135.8	91%	0.907	76%	0.76	S	S	*	*			cis	-142.8	-147.5	33.1	-64.8	175.9	52.7	0	0	116.1
806	A	36.7	Very low	33.9	Very low	92 Å²	92	137.1 Å²	137.1	76%	0.76	76%	0.76	S	S	*	*			trans	-151.6	-158.4	-159.1	0	0	0	0	0	117.2
807	I	34.4	Very low	33.9	Very low	167 Å²	167	140.2 Å²	140.2	86%	0.856	77%	0.768	S	S	*	*			trans	87.1	133.2	177	-52.9	175.2	0	0	0	114.8
808	D	33.4	Very low	33.8	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	77%	0.771	S	S	*	*			cis	103.4	144.7	13.5	-152.7	39.6	0	0	0	114.7
809	V	35.4	Very low	33.8	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.685	77%	0.772	S	S	*	*			cis	-132.9	-143.2	12.4	-141.5	0	0	0	0	111
810	T	34.8	Very low	33.7	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	78%	0.781	S	S	*	*			cis	-162.7	151.1	7.8	-15.4	0	0	0	0	114.3
811	E	36.7	Very low	33.7	Very low	186 Å²	186	139 Å²	139	87%	0.869	78%	0.783	S	S	*	*			trans	42.6	136.5	142.6	-81.9	-178.5	145.9	0	0	130.1
812	A	35.9	Very low	33.7	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	78%	0.778	S	S	*	*				95.8	129.1	127.6	0	0	0	0	0	127.4
813	D	35.5	Very low	33.6	Very low	173 Å²	173	130.7 Å²	130.7	93%	0.925	78%	0.777	S	S	*	*			trans	54.4	148.4	143.6	-76.8	-17.4	0	0	0	127
814	G	30.8	Very low	33.5	Very low	75 Å²	75	134.7 Å²	134.7	77%	0.773	78%	0.781	S	S	*	*			trans	150.6	73.9	148.4	0	0	0	0	0	124.1
815	L	31.1	Very low	33.6	Very low	153 Å²	153	142.4 Å²	142.4	80%	0.801	81%	0.805	S	S	*	*			trans	22.6	130.3	141.4	-72.3	164.2	0	0	0	125.8
816	K	31.1	Very low	33.5	Very low	171 Å²	171	139.8 Å²	139.8	74%	0.743	80%	0.8	S	S	*	*				60.9	140.1	129.1	-80.7	-173.9	179.6	177	0	125.3
817	F	30.7	Very low	33.3	Very low	206 Å²	206	142.3 Å²	142.3	90%	0.904	80%	0.802	S	S	*	*			trans	67.3	153.4	145.3	-95.8	-101.1	0	0	0	119.9
818	G	28.9	Very low	33.2	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	80%	0.799	S	S	*	*			trans	147.7	137.1	165.9	0	0	0	0	0	113.7
819	A	31.7	Very low	33.2	Very low	95 Å²	95	141.1 Å²	141.1	79%	0.785	80%	0.803	S	S	*	*			trans	-139.7	-179.8	172.6	0	0	0	0	0	109.8
820	E	31.4	Very low	33.1	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	81%	0.81	S	S	*	*			trans	78.2	117.8	161.4	-63.6	-162.1	123.8	0	0	120.9
821	I	32.8	Very low	33	Very low	143 Å²	143	144.8 Å²	144.8	73%	0.733	82%	0.818	S	S	*	*				80.1	125.7	120.2	-64.8	174.7	0	0	0	121.2
822	A	33.7	Very low	32.7	Very low	78 Å²	78	141.9 Å²	141.9	65%	0.645	81%	0.814	S	S	*	*			trans	70.4	100.9	146.2	0	0	0	0	0	123.5
823	S	33.4	Very low	32.5	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	82%	0.82	S	S	*	*				86.1	150.3	108.8	79.6	0	0	0	0	122.2
824	F	33	Very low	32.2	Very low	195 Å²	195	143.7 Å²	143.7	86%	0.855	81%	0.811	S	S	*	*			trans	56.8	100.9	162.6	-70.5	-71.8	0	0	0	119.2
825	Q	38.3	Very low	32.4	Very low	267 Å²	267	149.9 Å²	149.9	100%	1.248	82%	0.815	S	S	*	*				-141.1	0	89.4	-110.4	179.3	1.4	0	0	111.8

Retrieved 825 of 825 residues in 850.1 ms (Link to these results)

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