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complement subcomponent C1r

Serine protease component of the complement C1 complex, a multiprotein complex that initiates the classical pathway of the complement system, a cascade of proteins that leads to phagocytosis and breakdown of pathogens and signaling that strengthens the adaptive immune system. C1R catalyzes the first enzymatic step in the classical complement pathway: it is activated by the C1Q subcomplex of the C1 complex, which associates with IgG or IgM immunoglobulins complexed with antigens to form antigen-antibody complexes on the surface of pathogens. Immunoglobulin-binding promotes the autocatalytic cleavage and activation of C1R. Activated C1R then cleaves and activates C1S, the second protease of the classical complement pathway. It is unclear if C1R activates C1S within single, strained C1 complexes or between neighboring C1 complexes on surfaces.

AlphaFold DB , UniProt , Accession A0A087Y761, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 aa.

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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	V	31.3	Very low	27.8	Very low	186 Å²	186	161 Å²	161	100%	1.127	82%	0.824	S	S	*	*				0	102.6	0	174.8	0	0	0	0	107.4
2	I	29.3	Very low	27.7	Very low	150 Å²	150	165.7 Å²	165.7	77%	0.769	84%	0.835	S	S	*	*			trans	58.8	122.1	157.6	-43.8	166.7	0	0	0	114.9
3	D	26	Very low	27.8	Very low	132 Å²	132	168.2 Å²	168.2	71%	0.706	83%	0.828	S	S	*	*			cis	-164.5	136.9	39.9	-145.4	-25.5	0	0	0	109.5
4	V	27.7	Very low	28	Very low	135 Å²	135	171.4 Å²	171.4	82%	0.818	84%	0.836	S	S	*	*			trans	-137.8	113.2	162.8	-177.9	0	0	0	0	107.7
5	H	28.1	Very low	28.1	Very low	182 Å²	182	170.5 Å²	170.5	84%	0.843	84%	0.836	S	S	*	*			trans	-126.9	104.8	166.4	-110.5	42.6	0	0	0	109.6
6	K	28.7	Very low	28	Very low	197 Å²	197	171.2 Å²	171.2	86%	0.857	84%	0.836	S	S	*	*			trans	-155.6	109.2	155.2	-101.1	-173.7	-179	177.7	0	108.5
7	M	27.5	Very low	28.2	Very low	181 Å²	181	168.5 Å²	168.5	89%	0.892	83%	0.831	S	S	*	*				-166.9	127.9	129.5	-115.6	-179.3	76.1	0	0	113
8	C	26.3	Very low	28.3	Very low	107 Å²	107	167.8 Å²	167.8	72%	0.723	83%	0.831	S	S	*	*			trans	36.6	104.9	140.7	-72.8	0	0	0	0	121.1
9	L	27.2	Very low	28.4	Very low	159 Å²	159	165.1 Å²	165.1	83%	0.832	82%	0.824	S	S	*	*				-2.6	121.2	117.5	-79.7	144.8	0	0	0	116.4
10	L	27.2	Very low	28.5	Very low	142 Å²	142	162.3 Å²	162.3	74%	0.743	82%	0.82	S	S	*	*				169.5	127	110.3	-85.5	152.3	0	0	0	111.2
11	W	26.1	Very low	28.5	Very low	200 Å²	200	162.7 Å²	162.7	76%	0.758	82%	0.818	S	S	*	*			trans	74.2	82.4	146.9	-72.9	45.8	0	0	0	119.4
12	F	26.8	Very low	28.5	Very low	217 Å²	217	159.1 Å²	159.1	95%	0.952	80%	0.8	S	S	*	*			trans	-93.7	103.8	148	-96.2	-88.6	0	0	0	109.7
13	R	29.3	Very low	28.6	Very low	198 Å²	198	157.6 Å²	157.6	75%	0.747	80%	0.798	S	S	*	*			trans	-72.1	130.1	158.6	-83.9	-166.8	171	-161.6	-1	108	L15	R13-L15 PolarHBondContact O-N 3.29Å
14	F	30.5	Very low	29.3	Very low	214 Å²	214	156.8 Å²	156.8	94%	0.939	80%	0.8	S	S	*	*			trans	-49.1	107.1	161.9	-90.5	-102.4	0	0	0	109.4
15	L	29	Very low	30.3	Very low	158 Å²	158	155.7 Å²	155.7	83%	0.827	79%	0.789	S	S	*	*			trans	-107.9	114.9	159.8	-136.8	85.2	0	0	0	106.3	R13 V17	R13-L15 PolarHBondContact O-N 3.29Å; L15-V17 PolarHBondContact O-N 3.28Å
16	H	27.3	Very low	31.6	Very low	181 Å²	181	150.9 Å²	150.9	84%	0.838	77%	0.774	S	S	*	*			trans	-47.6	111.5	170.4	-88.8	-72.4	0	0	0	109.7	L18	H16-L18 PolarHBondContact O-N 3.38Å
17	V	30.6	Very low	33.5	Very low	126 Å²	126	146.7 Å²	146.7	76%	0.764	76%	0.761	S	S	*	*			trans	-67.7	97	155	177.3	0	0	0	0	104.9	L15 V19	L15-V17 PolarHBondContact O-N 3.28Å; V17-V19 HydrophobicContact CG1-CG2 4.3Å; V17-V19 PolarHBondContact O-N 2.85Å
18	L	30.6	Very low	36	Very low	156 Å²	156	141.5 Å²	141.5	82%	0.817	74%	0.742	S	S	*	*			trans	-58.6	98.3	153.6	-99.2	120.2	0	0	0	105.2	H16 C20	H16-L18 PolarHBondContact O-N 3.38Å; L18-C20 PolarHBondContact O-N 3.16Å
19	V	30.6	Very low	38.7	Very low	116 Å²	116	137.2 Å²	137.2	70%	0.703	72%	0.716	S	S	*	*			trans	-58.7	100.6	156.5	-179.6	0	0	0	0	103.9	V17 E21	V17-V19 HydrophobicContact CG1-CG2 4.3Å; V17-V19 PolarHBondContact O-N 2.85Å; V19-E21 VanDerWaalsContact C-N 3.26Å; V19-E21 PolarHBondContact O-N 3.08Å
20	C	30.8	Very low	41.5	Very low	109 Å²	109	135.6 Å²	135.6	74%	0.736	70%	0.704	S	S	*	*			trans	-60.8	102.5	164.2	-142.3	0	0	0	0	103.9	L18 C22	L18-C20 PolarHBondContact O-N 3.16Å; C20-C22 PolarHBondContact O-N 2.68Å
21	E	27.6	Very low	44.4	Very low	170 Å²	170	129.3 Å²	129.3	79%	0.794	67%	0.672	S	S	*	*			trans	-56.7	94.8	160	-79.1	-178.1	156.7	0	0	105.3	V19 V23	V19-E21 VanDerWaalsContact C-N 3.26Å; V19-E21 PolarHBondContact O-N 3.08Å; E21-V23 PolarHBondContact O-N 3.31Å
22	C	32.3	Very low	47.2	Very low	111 Å²	111	123.3 Å²	123.3	75%	0.75	65%	0.652	S	S	*	*			trans	-61	94.2	160.7	-77.2	0	0	0	0	104.9	C20 P24	C20-C22 PolarHBondContact O-N 2.68Å; C22-P24 WeakPolarHBondContact O-CD 3.27Å; C22-P24 VanDerWaalsContact O-N 3.15Å
23	V	30.9	Very low	49.8	Very low	118 Å²	118	113.1 Å²	113.1	72%	0.715	61%	0.607	S	S	*	*			trans	-58.3	112.1	155.9	178.4	0	0	0	0	104.2	E21 L25	E21-V23 PolarHBondContact O-N 3.31Å; V23-L25 PolarHBondContact O-N 2.87Å
24	P	40.9	Very low	52.2	Low	115 Å²	115	104.7 Å²	104.7	75%	0.747	58%	0.579	S	S	*	*			trans	-67.9	108.1	175	25.8	-24.4	0	0	0	106.1	C22	C22-P24 WeakPolarHBondContact O-CD 3.27Å; C22-P24 VanDerWaalsContact O-N 3.15Å
25	L	47.1	Very low	54.3	Low	113 Å²	113	100.3 Å²	100.3	59%	0.592	56%	0.561	S	S	*	*			trans	-57.9	141.4	159.6	-81.7	155.5	0	0	0	106.7	V23 D27	V23-L25 PolarHBondContact O-N 2.87Å; L25-D27 PolarHBondContact O-N 3.38Å
26	P	55.7	Low	56.2	Low	80 Å²	80	95 Å²	95	52%	0.519	54%	0.536	S	S	.	.			trans	-65.2	108.5	-178.1	-14.9	28.2	0	0	0	109.6	S28	P26-S28 WeakPolarHBondContact CB-O 3.33Å; P26-S28 PolarHBondContact O-N 3.14Å
27	D	68.9	Low	58.4	Low	110 Å²	110	92.1 Å²	92.1	59%	0.588	53%	0.534	S	S	*	.	S	Bend	trans	-58	-9.9	170.6	-70.7	-29.2	0	0	0	112.3	L25 Q138 A139	L25-D27 PolarHBondContact O-N 3.38Å; D27-Q138 WeakPolarHBondContact O-CA 2.85Å; D27-A139 PolarHBondContact O-N 3.49Å
28	S	80.7	Confident	60.3	Low	71 Å²	71	92.7 Å²	92.7	50%	0.497	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.5	164.5	56.6	0	0	0	0	110.7	P26 Y137	P26-S28 WeakPolarHBondContact CB-O 3.33Å; P26-S28 PolarHBondContact O-N 3.14Å; S28-Y137 CarbonylContact C-O 3.51Å; S28-Y137 WeakPolarHBondContact CA-O 2.94Å; S28-Y137 VanDerWaalsContact CB-O 3.23Å; S28-Y137 WeakPolarHBondContact CB-O 3.01Å
29	G	83.5	Confident	62.2	Low	18 Å²	18	88.1 Å²	88.1	19%	0.186	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	167.8	177.1	0	0	0	0	0	112.1	Q136 Y137	G29-Q136 CarbonylContact O-C 3.49Å; G29-Q136 VanDerWaalsContact O-CA 3.31Å; G29-Q136 WeakPolarHBondContact O-CA 3.24Å; G29-Y137 VanDerWaalsContact CA-CE1 3.46Å; G29-Y137 PolarHBondContact N-O 2.83Å; G29-Y137 VanDerWaalsContact O-CD1 3.31Å; G29-Y137 WeakPolarHBondContact O-CD1 3.18Å; G29-Y137 PolarHBondContact O-N 3.36Å
30	Q	85.3	Confident	64.1	Low	124 Å²	124	83 Å²	83	58%	0.579	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.6	177.7	-66.8	-176.3	-1	0	0	110.5	A135 Q136	Q30-A135 CarbonylContact C-O 3.59Å; Q30-A135 VanDerWaalsContact CA-O 3.3Å; Q30-A135 WeakPolarHBondContact CA-O 3.5Å; Q30-Q136 HydrophobicContact CG-CB 4.2Å
31	I	87.1	Confident	66	Low	11 Å²	11	79.7 Å²	79.7	6%	0.056	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	175.2	-60.2	177.4	0	0	0	107.2	W48 I50 L116 F133 S134 A135 Y137	I31-W48 HydrophobicContact CD1-CB 4.03Å; I31-W48 HydrophobicContact CD1-CG 4.23Å; I31-W48 HydrophobicContact CG2-CD2 3.72Å; I31-W48 HydrophobicContact CG2-CE3 4.2Å; I31-W48 HydrophobicContact CG2-CG 3.98Å; I31-W48 HydrophobicContact CG2-CZ2 4.11Å; I31-I50 HydrophobicContact CD1-CD1 3.52Å; I31-I50 HydrophobicContact CD1-CG1 3.79Å; I31-L116 HydrophobicContact CD1-CD1 4.28Å; I31-L116 HydrophobicContact CD1-CD2 4.31Å; I31-F133 HydrophobicContact CG2-CE2 4.01Å; I31-F133 HydrophobicContact CG2-CZ 4.38Å; I31-S134 CarbonylContact O-C 3.53Å; I31-S134 WeakPolarHBondContact O-CA 3.44Å; I31-A135 PolarHBondContact N-O 3.14Å; I31-A135 PolarHBondContact O-N 2.88Å; I31-Y137 HydrophobicContact CD1-CD1 4.22Å; I31-Y137 HydrophobicContact CD1-CE1 4.4Å; I31-Y137 HydrophobicContact CG1-CD1 4.25Å; I31-Y137 HydrophobicContact CG1-CE1 4.26Å
32	H	85.2	Confident	68.2	Low	73 Å²	73	74.6 Å²	74.6	34%	0.338	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158.8	176.9	-56.7	-83.3	0	0	0	110.3	C36 W48 F133 S134	H32-C36 HydrophobicContact CB-CB 3.62Å; H32-W48 WeakPolarHBondContact O-CZ2 3.34Å; H32-F133 CarbonylContact C-O 3.57Å; H32-F133 WeakPolarHBondContact CA-O 3.09Å; H32-S134 PolarHBondContact CE1-OG 3.17Å; H32-S134 PolarHBondContact ND1-OG 2.85Å
33	S	82.1	Confident	70.2	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.021	42%	0.424	C	S	.	.			trans	-57.4	149.3	168.9	64.3	0	0	0	0	110.7	Q35 C36 V132 F133	S33-Q35 PolarHBondContact O-N 3.31Å; S33-C36 WeakPolarHBondContact O-CB 3.46Å; S33-C36 PolarHBondContact O-N 3.06Å; S33-V132 WeakPolarHBondContact OG-CG1 3.07Å; S33-F133 PolarHBondContact N-O 2.97Å
34	P	79.4	Confident	72.5	Confident	22 Å²	22	71.4 Å²	71.4	14%	0.143	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	130.1	178.8	-26.2	37.5	0	0	0	110.8	C36 L44 K46 W48 F118	P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 2.93Å; P34-L44 HydrophobicContact CB-CD2 3.6Å; P34-L44 HydrophobicContact CG-CD2 3.54Å; P34-K46 HydrophobicContact CG-CB 4.15Å; P34-K46 HydrophobicContact CG-CG 4.32Å; P34-W48 HydrophobicContact CG-CH2 4.24Å; P34-W48 HydrophobicContact CG-CZ2 4.43Å; P34-F118 HydrophobicContact CG-CD1 4.45Å
35	Q	74.6	Confident	74.5	Confident	122 Å²	122	71.7 Å²	71.7	57%	0.57	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	10.6	-178.4	-52.5	174.3	-7.9	0	0	116.1	S33 Q38	S33-Q35 PolarHBondContact O-N 3.31Å; Q35-Q38 HydrophobicContact CB-CB 4.45Å; Q35-Q38 WeakPolarHBondContact O-CA 3.37Å; Q35-Q38 VanDerWaalsContact O-CB 3.26Å; Q35-Q38 WeakPolarHBondContact O-CB 3.49Å; Q35-Q38 PolarHBondContact O-N 3.34Å
36	C	70.2	Confident	76.3	Confident	46 Å²	46	71.1 Å²	71.1	31%	0.311	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	132.7	174.5	178.3	0	0	0	0	112.3	H32 S33 P34 V132	H32-C36 HydrophobicContact CB-CB 3.62Å; S33-C36 WeakPolarHBondContact O-CB 3.46Å; S33-C36 PolarHBondContact O-N 3.06Å; P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 2.93Å; C36-V132 HydrophobicContact CB-CG1 4.33Å
37	P	71.6	Confident	77.9	Confident	120 Å²	120	72.4 Å²	72.4	78%	0.779	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.3	9.7	11.5	36.3	-36.7	0	0	0	115
38	Q	71.4	Confident	78.9	Confident	138 Å²	138	69.8 Å²	69.8	65%	0.645	37%	0.366	S	S	*	.	S	Bend	trans	-78.3	160	175.5	-55	177.7	-0.7	0	0	110.9	Q35	Q35-Q38 HydrophobicContact CB-CB 4.45Å; Q35-Q38 WeakPolarHBondContact O-CA 3.37Å; Q35-Q38 VanDerWaalsContact O-CB 3.26Å; Q35-Q38 WeakPolarHBondContact O-CB 3.49Å; Q35-Q38 PolarHBondContact O-N 3.34Å
39	L	70.3	Confident	79.2	Confident	60 Å²	60	72.1 Å²	72.1	31%	0.314	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58.6	137.5	176.8	-69	168.2	0	0	0	110.6	P125 Q129 V131	L39-P125 HydrophobicContact CD1-CG 4.35Å; L39-P125 HydrophobicContact CD2-CG 4.24Å; L39-Q129 WeakPolarHBondContact CD2-O 3.2Å; L39-V131 HydrophobicContact CD2-CB 4.1Å; L39-V131 HydrophobicContact CD2-CG2 4.18Å
40	Y	71	Confident	79.4	Confident	8 Å²	8	71.6 Å²	71.6	3%	0.031	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-68.1	150.2	176.6	54.4	-101.8	0	0	0	111.6	L76 F118 V131	Y40-L76 HydrophobicContact CE2-CD2 4.29Å; Y40-L76 WeakPolarHBondContact OH-CD2 3.3Å; Y40-F118 HydrophobicContact CD1-CE1 4.19Å; Y40-F118 AromaticContact CD1-CZ 3.66Å; Y40-F118 HydrophobicContact CD1-CZ 3.66Å; Y40-F118 AromaticContact CD2-CE1 3.89Å; Y40-F118 HydrophobicContact CD2-CE1 3.89Å; Y40-F118 AromaticContact CD2-CZ 3.75Å; Y40-F118 HydrophobicContact CD2-CZ 3.75Å; Y40-F118 HydrophobicContact CE1-CE2 4.45Å; Y40-F118 AromaticContact CE1-CZ 3.71Å; Y40-F118 HydrophobicContact CE1-CZ 3.71Å; Y40-F118 HydrophobicContact CE2-CE1 4.4Å; Y40-F118 AromaticContact CE2-CZ 3.84Å; Y40-F118 HydrophobicContact CE2-CZ 3.84Å; Y40-F118 AromaticContact CG-CE1 3.79Å; Y40-F118 HydrophobicContact CG-CE1 3.79Å; Y40-F118 AromaticContact CG-CZ 3.67Å; Y40-F118 HydrophobicContact CG-CZ 3.67Å; Y40-F118 AromaticContact CZ-CZ 3.82Å; Y40-V131 WeakPolarHBondContact CD1-O 3.48Å; Y40-V131 HydrophobicContact CE1-CB 3.85Å; Y40-V131 HydrophobicContact CE1-CG1 3.58Å; Y40-V131 WeakPolarHBondContact CE1-O 3.42Å; Y40-V131 WeakPolarHBondContact OH-CG1 3.31Å
41	P	70.5	Confident	79.4	Confident	41 Å²	41	69 Å²	69	27%	0.266	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.6	149.8	176.4	-19.5	30.4	0	0	0	113.4	L44 S120	P41-L44 HydrophobicContact CB-CB 4.43Å; P41-L44 HydrophobicContact CB-CD2 4.4Å; P41-L44 HydrophobicContact CG-CD2 4.03Å; P41-S120 WeakPolarHBondContact O-CB 3.37Å; P41-S120 PolarHBondContact O-OG 3.12Å
42	V	73.7	Confident	79.3	Confident	62 Å²	62	69.1 Å²	69.1	38%	0.376	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	151.2	168	-65.4	0	0	0	0	111.2	L44 D121 N123 N124	V42-L44 PolarHBondContact O-N 3.21Å; V42-D121 CarbonylContact C-O 3.52Å; V42-D121 WeakPolarHBondContact CA-O 3.34Å; V42-D121 VanDerWaalsContact CB-O 3.27Å; V42-D121 WeakPolarHBondContact CB-O 3.47Å; V42-N123 WeakPolarHBondContact CG1-O 3.44Å; V42-N124 HydrophobicContact CG1-CB 4.39Å
43	N	74.4	Confident	79.2	Confident	116 Å²	116	68.6 Å²	68.6	62%	0.62	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	45.7	179.8	-156.3	-10.5	0	0	0	114.3	S120 D121 D122	N43-S120 PolarHBondContact N-OG 3.48Å; N43-D121 PolarHBondContact N-O 2.75Å; N43-D122 VanDerWaalsContact CB-OD1 3.28Å; N43-D122 WeakPolarHBondContact CB-OD1 3.35Å; N43-D122 PolarHBondContact ND2-OD1 3.27Å
44	L	78.8	Confident	79.2	Confident	47 Å²	47	74.6 Å²	74.6	25%	0.246	39%	0.394	C	S	.	.			trans	-113.3	128.6	179.6	-178.2	66.5	0	0	0	110.1	P34 P41 V42 Q119 S120	P34-L44 HydrophobicContact CB-CD2 3.6Å; P34-L44 HydrophobicContact CG-CD2 3.54Å; P41-L44 HydrophobicContact CB-CB 4.43Å; P41-L44 HydrophobicContact CB-CD2 4.4Å; P41-L44 HydrophobicContact CG-CD2 4.03Å; V42-L44 PolarHBondContact O-N 3.21Å; L44-Q119 WeakPolarHBondContact O-CA 3.48Å; L44-S120 WeakPolarHBondContact CB-OG 3.31Å; L44-S120 PolarHBondContact N-OG 2.99Å; L44-S120 PolarHBondContact O-N 3.49Å; L44-S120 PolarHBondContact O-OG 2.71Å
45	Q	83.4	Confident	79.1	Confident	121 Å²	121	74.3 Å²	74.3	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	119.8	164.2	-171.7	175.5	-11.4	0	0	108.8	I117 F118	Q45-I117 HydrophobicContact CG-CG2 4.2Å; Q45-F118 CarbonylContact C-O 3.5Å; Q45-F118 WeakPolarHBondContact CA-O 3.18Å
46	K	85.3	Confident	79.6	Confident	101 Å²	101	70.3 Å²	70.3	44%	0.439	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.9	176.6	-166	67	178.5	178.1	0	110.1	P34 W48 F118	P34-K46 HydrophobicContact CG-CB 4.15Å; P34-K46 HydrophobicContact CG-CG 4.32Å; K46-W48 HydrophobicContact CB-CH2 3.83Å; K46-W48 HydrophobicContact CB-CZ2 4.29Å; K46-W48 HydrophobicContact CB-CZ3 4.11Å; K46-W48 HydrophobicContact CG-CD2 4.46Å; K46-W48 HydrophobicContact CG-CH2 3.68Å; K46-W48 HydrophobicContact CG-CZ2 3.61Å; K46-W48 HydrophobicContact CG-CZ3 4.14Å; K46-F118 PolarHBondContact N-O 2.91Å; K46-F118 PolarHBondContact O-N 2.87Å
47	Q	88.5	Confident	80.5	Confident	107 Å²	107	69.8 Å²	69.8	50%	0.5	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.1	178.9	179.9	174	-26.6	0	0	110	T115 L116 I117	Q47-T115 HydrophobicContact CG-CG2 3.71Å; Q47-L116 CarbonylContact C-O 3.51Å; Q47-L116 VanDerWaalsContact CA-O 3.26Å; Q47-L116 WeakPolarHBondContact CA-O 3.22Å; Q47-I117 HydrophobicContact CB-CG1 4.47Å; Q47-I117 HydrophobicContact CG-CG1 4.11Å
48	W	89.1	Confident	81.3	Confident	55 Å²	55	64 Å²	64	21%	0.208	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.7	168.6	-60.1	-95.9	0	0	0	108.5	I31 H32 P34 K46 T115 L116 F118 F133	I31-W48 HydrophobicContact CD1-CB 4.03Å; I31-W48 HydrophobicContact CD1-CG 4.23Å; I31-W48 HydrophobicContact CG2-CD2 3.72Å; I31-W48 HydrophobicContact CG2-CE3 4.2Å; I31-W48 HydrophobicContact CG2-CG 3.98Å; I31-W48 HydrophobicContact CG2-CZ2 4.11Å; H32-W48 WeakPolarHBondContact O-CZ2 3.34Å; P34-W48 HydrophobicContact CG-CH2 4.24Å; P34-W48 HydrophobicContact CG-CZ2 4.43Å; K46-W48 HydrophobicContact CB-CH2 3.83Å; K46-W48 HydrophobicContact CB-CZ2 4.29Å; K46-W48 HydrophobicContact CB-CZ3 4.11Å; K46-W48 HydrophobicContact CG-CD2 4.46Å; K46-W48 HydrophobicContact CG-CH2 3.68Å; K46-W48 HydrophobicContact CG-CZ2 3.61Å; K46-W48 HydrophobicContact CG-CZ3 4.14Å; W48-T115 WeakPolarHBondContact O-CA 3.24Å; W48-L116 HydrophobicContact CB-CB 4.48Å; W48-L116 HydrophobicContact CE3-CB 4.14Å; W48-L116 PolarHBondContact N-O 3.22Å; W48-L116 PolarHBondContact O-N 2.97Å; W48-F118 HydrophobicContact CH2-CB 4.09Å; W48-F118 HydrophobicContact CZ3-CB 3.67Å; W48-F133 HydrophobicContact CH2-CE1 4.2Å; W48-F133 AromaticContact CH2-CZ 3.63Å; W48-F133 HydrophobicContact CH2-CZ 3.63Å; W48-F133 HydrophobicContact CZ2-CZ 4.43Å; W48-F133 HydrophobicContact CZ3-CE1 4.48Å; W48-F133 AromaticContact CZ3-CZ 3.75Å; W48-F133 HydrophobicContact CZ3-CZ 3.75Å
49	E	88.3	Confident	82.2	Confident	120 Å²	120	58.9 Å²	58.9	56%	0.561	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	113	170.4	-169.3	175.1	178.1	0	0	107.1
50	I	88	Confident	83.1	Confident	7 Å²	7	56 Å²	56	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.5	174.5	-50.3	175.7	0	0	0	106.4	I31 I58 L60 R113 L114 L116 Y137	I31-I50 HydrophobicContact CD1-CD1 3.52Å; I31-I50 HydrophobicContact CD1-CG1 3.79Å; I50-I58 HydrophobicContact CB-CD1 3.99Å; I50-I58 HydrophobicContact CG2-CD1 3.71Å; I50-I58 HydrophobicContact CG2-CG1 4.32Å; I50-I58 HydrophobicContact CG2-CG2 4.19Å; I50-I58 WeakPolarHBondContact O-CD1 3.28Å; I50-L60 HydrophobicContact CD1-CD1 4.31Å; I50-R113 CarbonylContact O-C 3.6Å; I50-R113 WeakPolarHBondContact O-CA 3.33Å; I50-L114 HydrophobicContact CD1-CD2 4.12Å; I50-L114 PolarHBondContact N-O 2.81Å; I50-L114 PolarHBondContact O-N 3.07Å; I50-L116 HydrophobicContact CD1-CD1 3.43Å; I50-L116 VanDerWaalsContact CD1-CD1 3.43Å; I50-L116 HydrophobicContact CG1-CD1 4.01Å; I50-Y137 HydrophobicContact CD1-CD1 3.79Å; I50-Y137 HydrophobicContact CD1-CE1 4.4Å; I50-Y137 HydrophobicContact CD1-CG 3.92Å; I50-Y137 HydrophobicContact CG1-CD1 4.39Å; I50-Y137 HydrophobicContact CG2-CD1 4.25Å; I50-Y137 HydrophobicContact CG2-CD2 3.56Å; I50-Y137 HydrophobicContact CG2-CE1 4.3Å; I50-Y137 HydrophobicContact CG2-CE2 3.64Å; I50-Y137 HydrophobicContact CG2-CG 3.88Å
51	S	85.5	Confident	83.9	Confident	68 Å²	68	56.9 Å²	56.9	48%	0.476	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.9	171.5	53.6	0	0	0	0	109.7	S112	S51-S112 WeakPolarHBondContact CA-O 3.17Å
52	V	85.2	Confident	84.6	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.085	29%	0.288	C	S	.	.			trans	-111.6	164.6	168.2	-63.9	0	0	0	0	108.1	F56 I58 S112 A139	V52-F56 HydrophobicContact CB-CB 4.18Å; V52-F56 HydrophobicContact CG2-CB 3.67Å; V52-I58 HydrophobicContact CB-CG1 4.34Å; V52-I58 HydrophobicContact CG1-CD1 4.4Å; V52-I58 HydrophobicContact CG1-CG1 3.76Å; V52-I58 HydrophobicContact CG2-CD1 4.29Å; V52-I58 HydrophobicContact CG2-CG1 3.66Å; V52-S112 WeakPolarHBondContact CG2-O 2.88Å; V52-S112 PolarHBondContact N-O 3.49Å; V52-S112 WeakPolarHBondContact O-CB 3.26Å; V52-A139 HydrophobicContact CB-CB 4.11Å; V52-A139 HydrophobicContact CG1-CB 3.7Å
53	P	83.1	Confident	85.1	Confident	62 Å²	62	55.4 Å²	55.4	40%	0.403	29%	0.289	S	S	.	.			trans	-56.1	152.9	174.6	-24.8	35.2	0	0	0	112.2	F56	P53-F56 HydrophobicContact CB-CD2 4.04Å; P53-F56 HydrophobicContact CB-CE2 4.41Å; P53-F56 WeakPolarHBondContact O-CB 3.48Å; P53-F56 PolarHBondContact O-N 2.99Å
54	D	80.4	Confident	85.5	Confident	129 Å²	129	54.4 Å²	54.4	69%	0.69	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	144.1	171.5	-64.6	-35.1	0	0	0	110	S112	D54-S112 PolarHBondContact OD1-OG 3.16Å
55	G	77.8	Confident	85.7	Confident	17 Å²	17	52.4 Å²	52.4	18%	0.175	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-6.5	-168.4	0	0	0	0	0	114.2	K142	G55-K142 WeakPolarHBondContact O-CB 3.46Å; G55-K142 PolarHBondContact O-N 2.89Å
56	F	85.8	Confident	85.4	Confident	38 Å²	38	48.3 Å²	48.3	17%	0.167	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.5	173.1	-64.9	-98.9	0	0	0	112	V52 P53 S112 A139 I140 D141 L166	V52-F56 HydrophobicContact CB-CB 4.18Å; V52-F56 HydrophobicContact CG2-CB 3.67Å; P53-F56 HydrophobicContact CB-CD2 4.04Å; P53-F56 HydrophobicContact CB-CE2 4.41Å; P53-F56 WeakPolarHBondContact O-CB 3.48Å; P53-F56 PolarHBondContact O-N 2.99Å; F56-S112 VanDerWaalsContact O-CA 3.3Å; F56-S112 WeakPolarHBondContact O-CA 3.4Å; F56-A139 HydrophobicContact CB-CB 4.35Å; F56-A139 HydrophobicContact CD1-CB 4.03Å; F56-A139 HydrophobicContact CG-CB 4.42Å; F56-I140 CarbonylContact C-O 3.51Å; F56-I140 WeakPolarHBondContact CA-O 3.44Å; F56-D141 HydrophobicContact CD1-CB 4.32Å; F56-D141 HydrophobicContact CE1-CB 4.11Å; F56-L166 HydrophobicContact CZ-CB 4.46Å
57	Q	89.1	Confident	84.9	Confident	34 Å²	34	43.5 Å²	43.5	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.7	168	-69.7	179.8	-29	0	0	109.7	L108 S109 P110 A139 I140 K142	Q57-L108 HydrophobicContact CB-CD1 4.1Å; Q57-L108 HydrophobicContact CB-CG 4.49Å; Q57-S109 VanDerWaalsContact CD-O 3.29Å; Q57-S109 WeakPolarHBondContact CG-O 3.43Å; Q57-S109 PolarHBondContact NE2-O 2.75Å; Q57-P110 PolarHBondContact NE2-O 3.19Å; Q57-A139 CarbonylContact O-C 3.44Å; Q57-A139 WeakPolarHBondContact O-CA 3.49Å; Q57-I140 PolarHBondContact N-O 3.46Å; Q57-I140 PolarHBondContact O-N 3.44Å; Q57-K142 HydrophobicContact CG-CB 4.41Å
58	I	88.4	Confident	83.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.7	-178.7	-60.2	165.3	0	0	0	107.8	I50 V52 L108 S109 L114	I50-I58 HydrophobicContact CB-CD1 3.99Å; I50-I58 HydrophobicContact CG2-CD1 3.71Å; I50-I58 HydrophobicContact CG2-CG1 4.32Å; I50-I58 HydrophobicContact CG2-CG2 4.19Å; I50-I58 WeakPolarHBondContact O-CD1 3.28Å; V52-I58 HydrophobicContact CB-CG1 4.34Å; V52-I58 HydrophobicContact CG1-CD1 4.4Å; V52-I58 HydrophobicContact CG1-CG1 3.76Å; V52-I58 HydrophobicContact CG2-CD1 4.29Å; V52-I58 HydrophobicContact CG2-CG1 3.66Å; I58-L108 CarbonylContact O-C 3.56Å; I58-L108 WeakPolarHBondContact O-CA 3.15Å; I58-S109 WeakPolarHBondContact CA-OG 3.2Å; I58-S109 WeakPolarHBondContact CB-OG 3.23Å; I58-S109 PolarHBondContact N-OG 2.87Å; I58-S109 PolarHBondContact O-N 3.1Å; I58-S109 PolarHBondContact O-OG 3.28Å; I58-L114 HydrophobicContact CB-CB 4.47Å; I58-L114 HydrophobicContact CD1-CB 3.64Å; I58-L114 HydrophobicContact CG2-CD2 4.49Å
59	N	89.6	Confident	82.6	Confident	29 Å²	29	42.3 Å²	42.3	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.6	166.5	177.2	2.3	0	0	0	109.3	P106 L108 Y137 Q138 I140	N59-P106 WeakPolarHBondContact OD1-CB 3.41Å; N59-L108 HydrophobicContact CB-CD1 4.19Å; N59-Y137 CarbonylContact O-C 3.28Å; N59-Y137 VanDerWaalsContact O-CA 3.24Å; N59-Y137 WeakPolarHBondContact O-CA 3.36Å; N59-Q138 PolarHBondContact N-O 3.01Å; N59-Q138 PolarHBondContact O-N 3.49Å; N59-I140 HydrophobicContact CB-CD1 3.4Å; N59-I140 HydrophobicContact CB-CG1 3.77Å
60	L	88.8	Confident	81.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.9	176.6	-178.3	73.3	0	0	0	110.4	I50 F62 V80 I107 L114 L116 A135	I50-L60 HydrophobicContact CD1-CD1 4.31Å; L60-F62 HydrophobicContact CD2-CE2 4Å; L60-F62 HydrophobicContact CD2-CZ 3.85Å; L60-F62 HydrophobicContact CG-CE2 4.49Å; L60-V80 HydrophobicContact CD2-CG1 4.32Å; L60-V80 HydrophobicContact CD2-CG2 3.91Å; L60-I107 HydrophobicContact CB-CB 4.48Å; L60-I107 PolarHBondContact N-O 3.05Å; L60-I107 PolarHBondContact O-N 2.9Å; L60-L114 HydrophobicContact CB-CD2 4.28Å; L60-L114 HydrophobicContact CD2-CD2 3.86Å; L60-L116 HydrophobicContact CD1-CD2 4.41Å; L60-L116 HydrophobicContact CD2-CD1 4.18Å; L60-L116 HydrophobicContact CD2-CD2 3.95Å; L60-L116 HydrophobicContact CD2-CG 4.26Å; L60-A135 HydrophobicContact CD1-CB 3.85Å
61	T	87.9	Confident	79.6	Confident	27 Å²	27	46.7 Å²	46.7	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.4	175.9	-54.5	0	0	0	0	110.3	A135 Q136	T61-A135 CarbonylContact O-C 3.56Å; T61-A135 WeakPolarHBondContact O-CA 3.28Å; T61-Q136 PolarHBondContact N-O 3.1Å; T61-Q136 PolarHBondContact O-N 3.02Å
62	F	86.3	Confident	78.2	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.2	172.4	-70.1	-77	0	0	0	109.8	L60 L65 L78 V80 F90 P102 I107 A135	L60-F62 HydrophobicContact CD2-CE2 4Å; L60-F62 HydrophobicContact CD2-CZ 3.85Å; L60-F62 HydrophobicContact CG-CE2 4.49Å; F62-L65 HydrophobicContact CD1-CD1 3.87Å; F62-L65 HydrophobicContact CE1-CD1 4.07Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L78 HydrophobicContact CD1-CD2 4.31Å; F62-L78 HydrophobicContact CE1-CD2 3.26Å; F62-L78 HydrophobicContact CZ-CD2 3.59Å; F62-V80 HydrophobicContact CE2-CG2 4.46Å; F62-V80 HydrophobicContact CZ-CG2 4.18Å; F62-F90 HydrophobicContact CE2-CD2 4.12Å; F62-F90 HydrophobicContact CE2-CE2 4.15Å; F62-F90 HydrophobicContact CZ-CD2 4.34Å; F62-P102 HydrophobicContact CB-CG 4.09Å; F62-P102 HydrophobicContact CD2-CB 3.73Å; F62-P102 HydrophobicContact CD2-CG 3.48Å; F62-P102 VanDerWaalsContact CD2-CG 3.48Å; F62-P102 HydrophobicContact CE2-CB 4.21Å; F62-P102 HydrophobicContact CE2-CG 4.13Å; F62-P102 HydrophobicContact CG-CG 3.85Å; F62-I107 HydrophobicContact CD2-CD1 4.48Å; F62-I107 HydrophobicContact CE2-CD1 3.88Å; F62-A135 HydrophobicContact CD1-CB 3.63Å; F62-A135 HydrophobicContact CE1-CB 3.68Å; F62-A135 HydrophobicContact CG-CB 4.42Å
63	T	83.3	Confident	77	Confident	65 Å²	65	50.4 Å²	50.4	40%	0.399	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-30.6	175.4	52.9	0	0	0	0	111.3	S134 Q136	T63-S134 PolarHBondContact N-O 2.84Å; T63-S134 WeakPolarHBondContact OG1-CB 3.22Å; T63-S134 PolarHBondContact OG1-O 3.26Å; T63-S134 VanDerWaalsContact OG1-O 3.06Å; T63-S134 PolarHBondContact OG1-OG 3.48Å; T63-Q136 HydrophobicContact CG2-CB 4.47Å; T63-Q136 HydrophobicContact CG2-CG 3.95Å
64	H	83.2	Confident	75.8	Confident	95 Å²	95	56.1 Å²	56.1	44%	0.44	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	133.7	173.5	-169.9	67.8	0	0	0	109.6	F133 S134	H64-F133 CarbonylContact O-C 3.46Å; H64-F133 VanDerWaalsContact O-CA 3.26Å; H64-F133 WeakPolarHBondContact O-CA 3.31Å; H64-S134 PolarHBondContact N-O 3.12Å; H64-S134 VanDerWaalsContact N-O 3.11Å; H64-S134 PolarHBondContact O-N 3.41Å; H64-S134 VanDerWaalsContact O-O 3.07Å
65	L	81.8	Confident	74.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	108.6	172.5	-172	140.7	0	0	0	108.7	F62 I67 L78 F90 G92 H101 P102 F133	F62-L65 HydrophobicContact CD1-CD1 3.87Å; F62-L65 HydrophobicContact CE1-CD1 4.07Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; L65-I67 HydrophobicContact CD1-CD1 4.16Å; L65-I67 HydrophobicContact CD2-CD1 4.34Å; L65-I67 HydrophobicContact CD2-CG1 4.43Å; L65-I67 HydrophobicContact CG-CD1 4.06Å; L65-I67 HydrophobicContact CG-CG1 4.29Å; L65-L78 HydrophobicContact CD1-CD2 3.94Å; L65-F90 HydrophobicContact CD1-CB 4.11Å; L65-G92 WeakPolarHBondContact CD2-O 3.3Å; L65-H101 PolarHBondContact O-NE2 2.97Å; L65-P102 HydrophobicContact CD1-CG 4.19Å; L65-F133 HydrophobicContact CD1-CB 4.46Å; L65-F133 HydrophobicContact CG-CB 4.32Å
66	D	77.5	Confident	74.4	Confident	35 Å²	35	53.8 Å²	53.8	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	95.6	170.7	-169	-12.8	0	0	0	106.9	N93 N130 V131 V132	D66-N93 HydrophobicContact CB-CB 4.3Å; D66-N130 WeakPolarHBondContact CB-O 3.4Å; D66-V131 CarbonylContact O-C 3.49Å; D66-V131 VanDerWaalsContact O-C 3.28Å; D66-V131 WeakPolarHBondContact O-CA 3.43Å; D66-V131 WeakPolarHBondContact O-CG1 3.46Å; D66-V132 PolarHBondContact N-O 3.1Å; D66-V132 PolarHBondContact O-N 3.26Å
67	I	74.9	Confident	73.9	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-119.5	134.7	178.8	-61.5	171.3	0	0	0	107.3	L65 S69 L76 L78 C91 G92 F118 F133	L65-I67 HydrophobicContact CD1-CD1 4.16Å; L65-I67 HydrophobicContact CD2-CD1 4.34Å; L65-I67 HydrophobicContact CD2-CG1 4.43Å; L65-I67 HydrophobicContact CG-CD1 4.06Å; L65-I67 HydrophobicContact CG-CG1 4.29Å; I67-S69 PolarHBondContact O-N 3.1Å; I67-S69 VanDerWaalsContact O-N 3.08Å; I67-L76 HydrophobicContact CG2-CD2 3.66Å; I67-L78 HydrophobicContact CD1-CB 3.89Å; I67-C91 HydrophobicContact CG2-CB 4.41Å; I67-G92 PolarHBondContact N-O 3.46Å; I67-G92 CarbonylContact O-C 3.56Å; I67-G92 WeakPolarHBondContact O-CA 3.17Å; I67-G92 PolarHBondContact O-N 3.23Å; I67-F118 HydrophobicContact CD1-CD2 4.3Å; I67-F118 HydrophobicContact CD1-CE2 3.95Å; I67-F118 HydrophobicContact CG1-CE2 4.36Å; I67-F133 HydrophobicContact CD1-CB 4.44Å; I67-F133 HydrophobicContact CD1-CD1 4.37Å
68	K	68.5	Low	73.7	Confident	78 Å²	78	50.4 Å²	50.4	34%	0.339	26%	0.257	S	S	.	.			trans	-51	119.3	-178.5	-174.7	177.6	-179.9	-178.5	0	111.2	S70 L76 V131	K68-S70 PolarHBondContact O-N 3.37Å; K68-L76 HydrophobicContact CB-CD1 4.42Å; K68-V131 HydrophobicContact CB-CG1 4.46Å
69	S	61	Low	73.7	Confident	58 Å²	58	52 Å²	52	41%	0.406	26%	0.264	S	S	.	.			trans	-67.9	131.1	177.3	-178.4	0	0	0	0	109.8	I67 D98	I67-S69 PolarHBondContact O-N 3.1Å; I67-S69 VanDerWaalsContact O-N 3.08Å; S69-D98 PolarHBondContact OG-OD2 3.4Å; S69-D98 VanDerWaalsContact OG-OD2 3.13Å
70	S	57.8	Low	73.6	Confident	42 Å²	42	50.6 Å²	50.6	29%	0.294	26%	0.257	S	S	.	.			trans	-122.2	133.2	170.2	-178	0	0	0	0	108.9	K68 I72	K68-S70 PolarHBondContact O-N 3.37Å; S70-I72 PolarHBondContact O-N 3.45Å; S70-I72 PolarHBondContact OG-N 2.86Å; S70-I72 PolarHBondContact OG-O 3.31Å
71	I	55.5	Low	73.5	Confident	177 Å²	177	51.6 Å²	51.6	91%	0.908	26%	0.262	S	S	*	.	S	Bend	trans	-61.6	-15.8	178.4	-66.1	167.2	0	0	0	111.6
72	I	57.2	Low	73.5	Confident	109 Å²	109	53 Å²	53	56%	0.559	27%	0.265	S	S	*	.	S	Bend	trans	-115.9	107.8	174.1	-54.3	174.3	0	0	0	107.5	S70 Y74	S70-I72 PolarHBondContact O-N 3.45Å; S70-I72 PolarHBondContact OG-N 2.86Å; S70-I72 PolarHBondContact OG-O 3.31Å; I72-Y74 PolarHBondContact O-N 3.18Å
73	L	59.5	Low	73.2	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.267	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	29.8	-175.6	-149.5	86.4	0	0	0	114.2	K89 H100	L73-K89 HydrophobicContact CD2-CB 4.18Å; L73-K89 HydrophobicContact CD2-CD 3.82Å; L73-K89 HydrophobicContact CD2-CG 3.97Å; L73-K89 HydrophobicContact CG-CD 4.14Å; L73-K89 HydrophobicContact CG-CG 4.29Å; L73-K89 WeakPolarHBondContact O-CE 3.44Å; L73-K89 PolarHBondContact O-NZ 3.37Å; L73-H100 HydrophobicContact CD1-CB 4.28Å
74	Y	57.3	Low	73.1	Confident	182 Å²	182	63.9 Å²	63.9	71%	0.714	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-9.7	-173.7	-90.3	-89.2	0	0	0	115.5	I72	I72-Y74 PolarHBondContact O-N 3.18Å
75	I	60.5	Low	73.2	Confident	91 Å²	91	66.7 Å²	66.7	47%	0.467	33%	0.326	S	S	.	.	S	Bend	trans	-111.9	-39.5	-171.7	-48	-177.8	0	0	0	113	D121	I75-D121 HydrophobicContact CG2-CB 3.61Å
76	L	68.7	Low	73.3	Confident	6 Å²	6	70 Å²	70	3%	0.031	35%	0.346	C	S	.	.	S	Bend	trans	-130.1	107.8	-179.1	-119.8	153.8	0	0	0	109.4	Y40 I67 K68 Q119 D121	Y40-L76 HydrophobicContact CE2-CD2 4.29Å; Y40-L76 WeakPolarHBondContact OH-CD2 3.3Å; I67-L76 HydrophobicContact CG2-CD2 3.66Å; K68-L76 HydrophobicContact CB-CD1 4.42Å; L76-Q119 WeakPolarHBondContact CA-O 3.37Å; L76-D121 HydrophobicContact CD1-CB 3.84Å; L76-D121 VanDerWaalsContact CD1-OD1 3.28Å; L76-D121 WeakPolarHBondContact CD1-OD1 3.48Å; L76-D121 HydrophobicContact CG-CB 4.32Å
77	S	75.8	Confident	73.6	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	152.5	-174.7	64.2	0	0	0	0	113	K89 Q119	S77-K89 WeakPolarHBondContact OG-CE 3.33Å; S77-Q119 PolarHBondContact N-O 3.42Å; S77-Q119 PolarHBondContact O-N 3.32Å
78	L	85	Confident	74	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.9	164.1	-176.2	66.7	0	0	0	109.5	F62 L65 I67 K89 F90 I117 F118 F133	F62-L78 HydrophobicContact CD1-CD2 4.31Å; F62-L78 HydrophobicContact CE1-CD2 3.26Å; F62-L78 HydrophobicContact CZ-CD2 3.59Å; L65-L78 HydrophobicContact CD1-CD2 3.94Å; I67-L78 HydrophobicContact CD1-CB 3.89Å; L78-K89 WeakPolarHBondContact O-CA 3.24Å; L78-F90 PolarHBondContact N-O 3.41Å; L78-F90 PolarHBondContact O-N 2.92Å; L78-I117 WeakPolarHBondContact CA-O 2.94Å; L78-F118 HydrophobicContact CB-CD2 4.5Å; L78-F118 HydrophobicContact CD1-CB 3.83Å; L78-F118 HydrophobicContact CD1-CD2 4.29Å; L78-F133 HydrophobicContact CD1-CE1 4.21Å; L78-F133 HydrophobicContact CD1-CE2 4.26Å; L78-F133 HydrophobicContact CD1-CZ 3.93Å; L78-F133 HydrophobicContact CD2-CD1 4.5Å; L78-F133 HydrophobicContact CD2-CD2 3.86Å; L78-F133 HydrophobicContact CD2-CE2 3.98Å; L78-F133 HydrophobicContact CD2-CG 4.15Å; L78-F133 HydrophobicContact CD2-CZ 4.36Å
79	Q	86.9	Confident	74.8	Confident	33 Å²	33	70.1 Å²	70.1	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.7	178.7	-66.2	175.4	43.1	0	0	110.4	L81 G88 K89 L116 I117	Q79-L81 HydrophobicContact CB-CD1 3.77Å; Q79-G88 WeakPolarHBondContact CA-O 3.17Å; Q79-K89 HydrophobicContact CG-CB 4.22Å; Q79-K89 HydrophobicContact CG-CD 3.84Å; Q79-K89 HydrophobicContact CG-CG 3.72Å; Q79-K89 VanDerWaalsContact NE2-CE 3.33Å; Q79-L116 CarbonylContact O-C 3.54Å; Q79-L116 VanDerWaalsContact O-CA 3.31Å; Q79-L116 WeakPolarHBondContact O-CA 3.33Å; Q79-I117 HydrophobicContact CB-CB 4.44Å; Q79-I117 PolarHBondContact N-O 3.25Å; Q79-I117 PolarHBondContact O-N 3.45Å
80	V	87.8	Confident	75.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.4	171.7	-179.2	0	0	0	0	107.9	L60 F62 L87 G88 F90 I107 L114 L116	L60-V80 HydrophobicContact CD2-CG1 4.32Å; L60-V80 HydrophobicContact CD2-CG2 3.91Å; F62-V80 HydrophobicContact CE2-CG2 4.46Å; F62-V80 HydrophobicContact CZ-CG2 4.18Å; V80-L87 HydrophobicContact CG1-CB 4.32Å; V80-L87 HydrophobicContact CG1-CD1 4.32Å; V80-L87 PolarHBondContact O-N 3Å; V80-G88 PolarHBondContact N-O 3.18Å; V80-G88 PolarHBondContact O-N 2.98Å; V80-F90 HydrophobicContact CB-CE2 4.3Å; V80-F90 HydrophobicContact CG2-CD2 4.14Å; V80-F90 HydrophobicContact CG2-CE2 3.73Å; V80-I107 HydrophobicContact CG2-CD1 4.42Å; V80-L114 HydrophobicContact CG1-CD1 3.64Å; V80-L114 HydrophobicContact CG1-CD2 3.72Å; V80-L114 HydrophobicContact CG1-CG 3.8Å; V80-L116 HydrophobicContact CG2-CG 4.34Å
81	L	86.9	Confident	76.8	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149	-176.2	-58.2	92.2	0	0	0	111.6	Q79 K85 V86 T115 I117	Q79-L81 HydrophobicContact CB-CD1 3.77Å; L81-K85 CarbonylContact C-O 3.43Å; L81-K85 VanDerWaalsContact CA-O 3.25Å; L81-K85 WeakPolarHBondContact CA-O 3.35Å; L81-V86 HydrophobicContact CD2-CG2 3.98Å; L81-V86 HydrophobicContact CG-CG2 4.21Å; L81-T115 PolarHBondContact N-O 2.88Å; L81-T115 PolarHBondContact O-N 3.36Å; L81-I117 HydrophobicContact CD1-CB 4.46Å; L81-I117 HydrophobicContact CD1-CD1 3.74Å; L81-I117 HydrophobicContact CD1-CG1 3.92Å
82	Y	87.3	Confident	77.7	Confident	56 Å²	56	58.4 Å²	58.4	22%	0.22	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.2	168.4	175	-87.8	0	0	0	108.1	E84 K85 P110 G111 R113	Y82-E84 VanDerWaalsContact C-N 3.33Å; Y82-E84 PolarHBondContact O-N 3.31Å; Y82-K85 PolarHBondContact N-O 2.84Å; Y82-K85 WeakPolarHBondContact O-CA 2.95Å; Y82-K85 VanDerWaalsContact O-CB 3.31Å; Y82-K85 WeakPolarHBondContact O-CB 3.29Å; Y82-K85 PolarHBondContact O-N 3.11Å; Y82-P110 HydrophobicContact CD1-CB 4.06Å; Y82-P110 HydrophobicContact CD1-CG 3.98Å; Y82-P110 HydrophobicContact CD2-CB 4.31Å; Y82-P110 HydrophobicContact CD2-CG 4.32Å; Y82-P110 HydrophobicContact CE1-CB 3.96Å; Y82-P110 HydrophobicContact CE1-CG 4.4Å; Y82-P110 HydrophobicContact CE2-CB 4.23Å; Y82-P110 HydrophobicContact CG-CB 4.27Å; Y82-P110 HydrophobicContact CG-CG 3.98Å; Y82-G111 VanDerWaalsContact CE2-CA 3.48Å; Y82-R113 WeakPolarHBondContact CD2-O 3.4Å
83	D	81.3	Confident	78.5	Confident	115 Å²	115	56.2 Å²	56.2	62%	0.615	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	56.1	-176.9	-67.7	-20.8	0	0	0	113.1	K85	D83-K85 PolarHBondContact O-N 3.31Å
84	E	80.8	Confident	79	Confident	186 Å²	186	59.2 Å²	59.2	87%	0.869	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-5.4	-178.2	-51.2	-171.7	165	0	0	116.1	Y82	Y82-E84 VanDerWaalsContact C-N 3.33Å; Y82-E84 PolarHBondContact O-N 3.31Å
85	K	84.6	Confident	79.5	Confident	153 Å²	153	57.6 Å²	57.6	67%	0.665	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	126	173.8	-170.8	178.2	178.7	-179.4	0	110.7	L81 Y82 D83 L87	L81-K85 CarbonylContact C-O 3.43Å; L81-K85 VanDerWaalsContact CA-O 3.25Å; L81-K85 WeakPolarHBondContact CA-O 3.35Å; Y82-K85 PolarHBondContact N-O 2.84Å; Y82-K85 WeakPolarHBondContact O-CA 2.95Å; Y82-K85 VanDerWaalsContact O-CB 3.31Å; Y82-K85 WeakPolarHBondContact O-CB 3.29Å; Y82-K85 PolarHBondContact O-N 3.11Å; D83-K85 PolarHBondContact O-N 3.31Å; K85-L87 PolarHBondContact O-N 3.5Å
86	V	84.8	Confident	79.8	Confident	74 Å²	74	55 Å²	55	45%	0.448	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	114.6	176.6	-176.9	0	0	0	0	109.6	L81	L81-V86 HydrophobicContact CD2-CG2 3.98Å; L81-V86 HydrophobicContact CG-CG2 4.21Å
87	L	84.4	Confident	79.3	Confident	65 Å²	65	60 Å²	60	34%	0.34	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-32.7	172.7	-64.8	-178.3	0	0	0	111.6	V80 K85 P110 L114	V80-L87 HydrophobicContact CG1-CB 4.32Å; V80-L87 HydrophobicContact CG1-CD1 4.32Å; V80-L87 PolarHBondContact O-N 3Å; K85-L87 PolarHBondContact O-N 3.5Å; L87-P110 HydrophobicContact CD2-CG 4.32Å; L87-L114 HydrophobicContact CD1-CD1 3.69Å
88	G	82.9	Confident	78.8	Confident	13 Å²	13	62.4 Å²	62.4	13%	0.134	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	155.1	176.6	0	0	0	0	0	112.6	Q79 V80	Q79-G88 WeakPolarHBondContact CA-O 3.17Å; V80-G88 PolarHBondContact N-O 3.18Å; V80-G88 PolarHBondContact O-N 2.98Å
89	K	84.1	Confident	77.8	Confident	40 Å²	40	65.6 Å²	65.6	17%	0.174	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.7	177.6	-174.2	167.2	-166.4	177.6	0	109	L73 S77 L78 Q79	L73-K89 HydrophobicContact CD2-CB 4.18Å; L73-K89 HydrophobicContact CD2-CD 3.82Å; L73-K89 HydrophobicContact CD2-CG 3.97Å; L73-K89 HydrophobicContact CG-CD 4.14Å; L73-K89 HydrophobicContact CG-CG 4.29Å; L73-K89 WeakPolarHBondContact O-CE 3.44Å; L73-K89 PolarHBondContact O-NZ 3.37Å; S77-K89 WeakPolarHBondContact OG-CE 3.33Å; L78-K89 WeakPolarHBondContact O-CA 3.24Å; Q79-K89 HydrophobicContact CG-CB 4.22Å; Q79-K89 HydrophobicContact CG-CD 3.84Å; Q79-K89 HydrophobicContact CG-CG 3.72Å; Q79-K89 VanDerWaalsContact NE2-CE 3.33Å
90	F	84.7	Confident	77.1	Confident	27 Å²	27	67.5 Å²	67.5	12%	0.118	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.9	-162.9	-54.8	-65.1	0	0	0	112.8	F62 L65 L78 V80 H100 P102 I107	F62-F90 HydrophobicContact CE2-CD2 4.12Å; F62-F90 HydrophobicContact CE2-CE2 4.15Å; F62-F90 HydrophobicContact CZ-CD2 4.34Å; L65-F90 HydrophobicContact CD1-CB 4.11Å; L78-F90 PolarHBondContact N-O 3.41Å; L78-F90 PolarHBondContact O-N 2.92Å; V80-F90 HydrophobicContact CB-CE2 4.3Å; V80-F90 HydrophobicContact CG2-CD2 4.14Å; V80-F90 HydrophobicContact CG2-CE2 3.73Å; F90-H100 WeakPolarHBondContact CA-O 3.4Å; F90-P102 HydrophobicContact CB-CG 4.46Å; F90-P102 HydrophobicContact CD1-CB 3.58Å; F90-P102 HydrophobicContact CD1-CG 4.01Å; F90-P102 HydrophobicContact CD2-CB 4.49Å; F90-P102 HydrophobicContact CE1-CB 3.57Å; F90-P102 HydrophobicContact CE1-CG 4.47Å; F90-P102 HydrophobicContact CE2-CB 4.47Å; F90-P102 HydrophobicContact CG-CB 4.07Å; F90-P102 HydrophobicContact CG-CG 4.13Å; F90-P102 HydrophobicContact CZ-CB 4.03Å; F90-I107 HydrophobicContact CE2-CD1 3.5Å; F90-I107 HydrophobicContact CZ-CD1 3.43Å; F90-I107 VanDerWaalsContact CZ-CD1 3.43Å
91	C	77.8	Confident	76.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	38%	0.384	C	S	.	.			trans	-159.4	175.4	172.2	62.9	0	0	0	0	110.4	I67 H100	I67-C91 HydrophobicContact CG2-CB 4.41Å; C91-H100 PolarHBondContact N-O 3.43Å; C91-H100 CarbonylContact O-C 3.56Å
92	G	74.4	Confident	76	Confident	2 Å²	2	69.5 Å²	69.5	2%	0.021	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	89.2	-176.2	-177.1	0	0	0	0	0	112.8	L65 I67	L65-G92 WeakPolarHBondContact CD2-O 3.3Å; I67-G92 PolarHBondContact N-O 3.46Å; I67-G92 CarbonylContact O-C 3.56Å; I67-G92 WeakPolarHBondContact O-CA 3.17Å; I67-G92 PolarHBondContact O-N 3.23Å
93	N	73.5	Confident	75.4	Confident	63 Å²	63	68 Å²	68	34%	0.337	39%	0.387	S	S	.	.			trans	-115.3	175	169.9	64.7	42.3	0	0	0	110.4	D66 N95 S96	D66-N93 HydrophobicContact CB-CB 4.3Å; N93-N95 PolarHBondContact O-N 3.27Å; N93-N95 VanDerWaalsContact O-N 3.08Å; N93-N95 PolarHBondContact OD1-N 3.01Å; N93-S96 WeakPolarHBondContact O-CB 3.19Å; N93-S96 PolarHBondContact O-N 3.33Å; N93-S96 PolarHBondContact OD1-N 1.96Å
94	E	69.9	Low	74.9	Confident	114 Å²	114	69.6 Å²	69.6	53%	0.533	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.3	-176.3	-169.2	-179.6	-173.6	0	0	114.2	Y104	E94-Y104 WeakPolarHBondContact OE1-CE2 3.25Å; E94-Y104 VanDerWaalsContact OE1-CZ 3.25Å; E94-Y104 PolarHBondContact OE1-OH 2.91Å; E94-Y104 PolarHBondContact OE2-OH 3.02Å; E94-Y104 VanDerWaalsContact OE2-OH 3.13Å
95	N	67.8	Low	74.8	Confident	149 Å²	149	68.3 Å²	68.3	80%	0.797	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	6.8	-179.7	-65.1	-45.6	0	0	0	113.4	N93 A97	N93-N95 PolarHBondContact O-N 3.27Å; N93-N95 VanDerWaalsContact O-N 3.08Å; N93-N95 PolarHBondContact OD1-N 3.01Å; N95-A97 PolarHBondContact O-N 3.1Å
96	S	65.9	Low	74.8	Confident	36 Å²	36	64.7 Å²	64.7	25%	0.252	37%	0.372	S	S	.	.			trans	-74.1	125.2	-177.7	-165	0	0	0	0	111	N93 D98	N93-S96 WeakPolarHBondContact O-CB 3.19Å; N93-S96 PolarHBondContact O-N 3.33Å; N93-S96 PolarHBondContact OD1-N 1.96Å; S96-D98 WeakPolarHBondContact CB-OD1 3.47Å; S96-D98 PolarHBondContact O-N 3.24Å; S96-D98 PolarHBondContact OG-OD1 3.05Å
97	A	59.4	Low	74.9	Confident	111 Å²	111	62.6 Å²	62.6	92%	0.917	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	3.2	-176	0	0	0	0	0	114.2	N95	N95-A97 PolarHBondContact O-N 3.1Å
98	D	64.5	Low	75.1	Confident	51 Å²	51	63.7 Å²	63.7	27%	0.273	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.6	-173.1	66	-22.6	0	0	0	114	S69 S96 H100	S69-D98 PolarHBondContact OG-OD2 3.4Å; S69-D98 VanDerWaalsContact OG-OD2 3.13Å; S96-D98 WeakPolarHBondContact CB-OD1 3.47Å; S96-D98 PolarHBondContact O-N 3.24Å; S96-D98 PolarHBondContact OG-OD1 3.05Å; D98-H100 VanDerWaalsContact C-N 3.27Å; D98-H100 PolarHBondContact O-CE1 3.08Å; D98-H100 VanDerWaalsContact O-CE1 3.24Å; D98-H100 PolarHBondContact O-N 3.22Å; D98-H100 PolarHBondContact O-ND1 3.09Å; D98-H100 VanDerWaalsContact O-ND1 3.14Å; D98-H100 IonicContact OD2-ND1 2.6Å; D98-H100 PolarHBondContact OD2-ND1 2.68Å
99	G	64.6	Low	75.3	Confident	68 Å²	68	63.1 Å²	63.1	70%	0.701	36%	0.357	S	S	*	.	S	Bend	trans	74.2	9.6	172.6	0	0	0	0	0	115.3
100	H	71.4	Confident	75.3	Confident	73 Å²	73	64.4 Å²	64.4	34%	0.338	37%	0.37	S	S	.	.			trans	-95	4.1	-179.3	-57.3	109.9	0	0	0	113.9	L73 F90 C91 D98	L73-H100 HydrophobicContact CD1-CB 4.28Å; F90-H100 WeakPolarHBondContact CA-O 3.4Å; C91-H100 PolarHBondContact N-O 3.43Å; C91-H100 CarbonylContact O-C 3.56Å; D98-H100 VanDerWaalsContact C-N 3.27Å; D98-H100 PolarHBondContact O-CE1 3.08Å; D98-H100 VanDerWaalsContact O-CE1 3.24Å; D98-H100 PolarHBondContact O-N 3.22Å; D98-H100 PolarHBondContact O-ND1 3.09Å; D98-H100 VanDerWaalsContact O-ND1 3.14Å; D98-H100 IonicContact OD2-ND1 2.6Å; D98-H100 PolarHBondContact OD2-ND1 2.68Å
101	H	76.7	Confident	75.2	Confident	41 Å²	41	63.7 Å²	63.7	19%	0.19	37%	0.37	C	S	.	.	S	Bend	trans	-80.8	134.4	171.3	-172.7	-91.1	0	0	0	109.5	L65 G103	L65-H101 PolarHBondContact O-NE2 2.97Å; H101-G103 WeakPolarHBondContact ND1-CA 3.32Å; H101-G103 PolarHBondContact ND1-N 3.3Å; H101-G103 PolarHBondContact O-N 3.12Å; H101-G103 VanDerWaalsContact O-N 3.08Å
102	P	75.9	Confident	75.6	Confident	21 Å²	21	64.5 Å²	64.5	14%	0.136	38%	0.375	C	S	.	.			trans	-66	-13.5	-176.6	24.7	-31.7	0	0	0	113.5	F62 L65 F90	F62-P102 HydrophobicContact CB-CG 4.09Å; F62-P102 HydrophobicContact CD2-CB 3.73Å; F62-P102 HydrophobicContact CD2-CG 3.48Å; F62-P102 VanDerWaalsContact CD2-CG 3.48Å; F62-P102 HydrophobicContact CE2-CB 4.21Å; F62-P102 HydrophobicContact CE2-CG 4.13Å; F62-P102 HydrophobicContact CG-CG 3.85Å; L65-P102 HydrophobicContact CD1-CG 4.19Å; F90-P102 HydrophobicContact CB-CG 4.46Å; F90-P102 HydrophobicContact CD1-CB 3.58Å; F90-P102 HydrophobicContact CD1-CG 4.01Å; F90-P102 HydrophobicContact CD2-CB 4.49Å; F90-P102 HydrophobicContact CE1-CB 3.57Å; F90-P102 HydrophobicContact CE1-CG 4.47Å; F90-P102 HydrophobicContact CE2-CB 4.47Å; F90-P102 HydrophobicContact CG-CB 4.07Å; F90-P102 HydrophobicContact CG-CG 4.13Å; F90-P102 HydrophobicContact CZ-CB 4.03Å
103	G	73.8	Confident	76.2	Confident	26 Å²	26	70.8 Å²	70.8	27%	0.268	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	-162.6	-170.8	0	0	0	0	0	111.5	H101 Q105	H101-G103 WeakPolarHBondContact ND1-CA 3.32Å; H101-G103 PolarHBondContact ND1-N 3.3Å; H101-G103 PolarHBondContact O-N 3.12Å; H101-G103 VanDerWaalsContact O-N 3.08Å; G103-Q105 VanDerWaalsContact C-N 3.33Å
104	Y	71.7	Confident	76.9	Confident	147 Å²	147	67.8 Å²	67.8	58%	0.576	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.7	174.9	-61.6	-74.7	0	0	0	113	E94	E94-Y104 WeakPolarHBondContact OE1-CE2 3.25Å; E94-Y104 VanDerWaalsContact OE1-CZ 3.25Å; E94-Y104 PolarHBondContact OE1-OH 2.91Å; E94-Y104 PolarHBondContact OE2-OH 3.02Å; E94-Y104 VanDerWaalsContact OE2-OH 3.13Å
105	Q	78.6	Confident	77.8	Confident	160 Å²	160	63.7 Å²	63.7	75%	0.748	37%	0.366	S	S	*	.			trans	-77.9	130.4	-179.6	-72.8	-167.7	-14.5	0	0	110.3	G103	G103-Q105 VanDerWaalsContact C-N 3.33Å
106	P	83.9	Confident	78.8	Confident	76 Å²	76	56.6 Å²	56.6	49%	0.494	33%	0.328	S	S	.	.			trans	-64.4	140.5	176.2	22.6	-30.3	0	0	0	111.6	N59	N59-P106 WeakPolarHBondContact OD1-CB 3.41Å
107	I	87.4	Confident	79.8	Confident	30 Å²	30	56.1 Å²	56.1	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.6	170.8	-56.1	173.8	0	0	0	107.5	L60 F62 V80 F90	L60-I107 HydrophobicContact CB-CB 4.48Å; L60-I107 PolarHBondContact N-O 3.05Å; L60-I107 PolarHBondContact O-N 2.9Å; F62-I107 HydrophobicContact CD2-CD1 4.48Å; F62-I107 HydrophobicContact CE2-CD1 3.88Å; V80-I107 HydrophobicContact CG2-CD1 4.42Å; F90-I107 HydrophobicContact CE2-CD1 3.5Å; F90-I107 HydrophobicContact CZ-CD1 3.43Å; F90-I107 VanDerWaalsContact CZ-CD1 3.43Å
108	L	87.3	Confident	81.1	Confident	89 Å²	89	50.9 Å²	50.9	47%	0.466	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.9	177	-167.4	67.9	0	0	0	110.2	Q57 I58 N59 I140	Q57-L108 HydrophobicContact CB-CD1 4.1Å; Q57-L108 HydrophobicContact CB-CG 4.49Å; I58-L108 CarbonylContact O-C 3.56Å; I58-L108 WeakPolarHBondContact O-CA 3.15Å; N59-L108 HydrophobicContact CB-CD1 4.19Å; L108-I140 HydrophobicContact CD1-CD1 4.31Å
109	S	87.7	Confident	81.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.28	C	S	.	.			trans	-73.3	143.4	175.6	67.4	0	0	0	0	111.4	Q57 I58 G111	Q57-S109 VanDerWaalsContact CD-O 3.29Å; Q57-S109 WeakPolarHBondContact CG-O 3.43Å; Q57-S109 PolarHBondContact NE2-O 2.75Å; I58-S109 WeakPolarHBondContact CA-OG 3.2Å; I58-S109 WeakPolarHBondContact CB-OG 3.23Å; I58-S109 PolarHBondContact N-OG 2.87Å; I58-S109 PolarHBondContact O-N 3.1Å; I58-S109 PolarHBondContact O-OG 3.28Å; S109-G111 WeakPolarHBondContact CB-O 3.4Å; S109-G111 PolarHBondContact O-N 3.17Å; S109-G111 PolarHBondContact OG-O 2.91Å
110	P	83.6	Confident	82.4	Confident	66 Å²	66	48.6 Å²	48.6	43%	0.429	25%	0.249	S	C	.	.	S	Bend	trans	-61.7	-25.5	172.8	-26.3	34.9	0	0	0	114.9	Q57 Y82 L87	Q57-P110 PolarHBondContact NE2-O 3.19Å; Y82-P110 HydrophobicContact CD1-CB 4.06Å; Y82-P110 HydrophobicContact CD1-CG 3.98Å; Y82-P110 HydrophobicContact CD2-CB 4.31Å; Y82-P110 HydrophobicContact CD2-CG 4.32Å; Y82-P110 HydrophobicContact CE1-CB 3.96Å; Y82-P110 HydrophobicContact CE1-CG 4.4Å; Y82-P110 HydrophobicContact CE2-CB 4.23Å; Y82-P110 HydrophobicContact CG-CB 4.27Å; Y82-P110 HydrophobicContact CG-CG 3.98Å; L87-P110 HydrophobicContact CD2-CG 4.32Å
111	G	83.7	Confident	82.4	Confident	12 Å²	12	46.3 Å²	46.3	12%	0.124	24%	0.239	C	C	.	.	S	Bend	trans	-148	-162.8	-178.8	0	0	0	0	0	113.3	Y82 S109 R113	Y82-G111 VanDerWaalsContact CE2-CA 3.48Å; S109-G111 WeakPolarHBondContact CB-O 3.4Å; S109-G111 PolarHBondContact O-N 3.17Å; S109-G111 PolarHBondContact OG-O 2.91Å; G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 2.98Å
112	S	86	Confident	81.8	Confident	18 Å²	18	50 Å²	50	13%	0.126	26%	0.26	C	S	.	.	S	Bend	trans	-78.7	2	-168.4	57.8	0	0	0	0	115.6	S51 V52 D54 F56	S51-S112 WeakPolarHBondContact CA-O 3.17Å; V52-S112 WeakPolarHBondContact CG2-O 2.88Å; V52-S112 PolarHBondContact N-O 3.49Å; V52-S112 WeakPolarHBondContact O-CB 3.26Å; D54-S112 PolarHBondContact OD1-OG 3.16Å; F56-S112 VanDerWaalsContact O-CA 3.3Å; F56-S112 WeakPolarHBondContact O-CA 3.4Å
113	R	86.9	Confident	81.2	Confident	134 Å²	134	53.7 Å²	53.7	51%	0.506	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.2	-177.1	-60.1	-173.1	-175.1	-167.5	3.6	112.2	I50 Y82 G111	I50-R113 CarbonylContact O-C 3.6Å; I50-R113 WeakPolarHBondContact O-CA 3.33Å; Y82-R113 WeakPolarHBondContact CD2-O 3.4Å; G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 2.98Å
114	L	89.1	Confident	80.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	132.5	178.1	-170.1	110.7	0	0	0	109.6	I50 I58 L60 V80 L87 L116	I50-L114 HydrophobicContact CD1-CD2 4.12Å; I50-L114 PolarHBondContact N-O 2.81Å; I50-L114 PolarHBondContact O-N 3.07Å; I58-L114 HydrophobicContact CB-CB 4.47Å; I58-L114 HydrophobicContact CD1-CB 3.64Å; I58-L114 HydrophobicContact CG2-CD2 4.49Å; L60-L114 HydrophobicContact CB-CD2 4.28Å; L60-L114 HydrophobicContact CD2-CD2 3.86Å; V80-L114 HydrophobicContact CG1-CD1 3.64Å; V80-L114 HydrophobicContact CG1-CD2 3.72Å; V80-L114 HydrophobicContact CG1-CG 3.8Å; L87-L114 HydrophobicContact CD1-CD1 3.69Å; L114-L116 HydrophobicContact CD2-CD1 3.53Å
115	T	88.6	Confident	79.5	Confident	29 Å²	29	52 Å²	52	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.9	-178	-59.2	0	0	0	0	110.2	Q47 W48 L81 I117	Q47-T115 HydrophobicContact CG-CG2 3.71Å; W48-T115 WeakPolarHBondContact O-CA 3.24Å; L81-T115 PolarHBondContact N-O 2.88Å; L81-T115 PolarHBondContact O-N 3.36Å; T115-I117 HydrophobicContact CG2-CD1 4.4Å; T115-I117 HydrophobicContact CG2-CG1 4.03Å
116	L	88.9	Confident	78.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.8	171.4	-73	80.6	0	0	0	109.8	I31 Q47 W48 I50 L60 Q79 V80 L114	I31-L116 HydrophobicContact CD1-CD1 4.28Å; I31-L116 HydrophobicContact CD1-CD2 4.31Å; Q47-L116 CarbonylContact C-O 3.51Å; Q47-L116 VanDerWaalsContact CA-O 3.26Å; Q47-L116 WeakPolarHBondContact CA-O 3.22Å; W48-L116 HydrophobicContact CB-CB 4.48Å; W48-L116 HydrophobicContact CE3-CB 4.14Å; W48-L116 PolarHBondContact N-O 3.22Å; W48-L116 PolarHBondContact O-N 2.97Å; I50-L116 HydrophobicContact CD1-CD1 3.43Å; I50-L116 VanDerWaalsContact CD1-CD1 3.43Å; I50-L116 HydrophobicContact CG1-CD1 4.01Å; L60-L116 HydrophobicContact CD1-CD2 4.41Å; L60-L116 HydrophobicContact CD2-CD1 4.18Å; L60-L116 HydrophobicContact CD2-CD2 3.95Å; L60-L116 HydrophobicContact CD2-CG 4.26Å; Q79-L116 CarbonylContact O-C 3.54Å; Q79-L116 VanDerWaalsContact O-CA 3.31Å; Q79-L116 WeakPolarHBondContact O-CA 3.33Å; V80-L116 HydrophobicContact CG2-CG 4.34Å; L114-L116 HydrophobicContact CD2-CD1 3.53Å
117	I	86.1	Confident	77	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.3	176.3	-55.2	178.3	0	0	0	108.9	Q45 Q47 L78 Q79 L81 T115	Q45-I117 HydrophobicContact CG-CG2 4.2Å; Q47-I117 HydrophobicContact CB-CG1 4.47Å; Q47-I117 HydrophobicContact CG-CG1 4.11Å; L78-I117 WeakPolarHBondContact CA-O 2.94Å; Q79-I117 HydrophobicContact CB-CB 4.44Å; Q79-I117 PolarHBondContact N-O 3.25Å; Q79-I117 PolarHBondContact O-N 3.45Å; L81-I117 HydrophobicContact CD1-CB 4.46Å; L81-I117 HydrophobicContact CD1-CD1 3.74Å; L81-I117 HydrophobicContact CD1-CG1 3.92Å; T115-I117 HydrophobicContact CG2-CD1 4.4Å; T115-I117 HydrophobicContact CG2-CG1 4.03Å
118	F	86.1	Confident	75.3	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.1	172	178.5	-108	0	0	0	110.1	P34 Y40 Q45 K46 W48 I67 L78 F133	P34-F118 HydrophobicContact CG-CD1 4.45Å; Y40-F118 HydrophobicContact CD1-CE1 4.19Å; Y40-F118 AromaticContact CD1-CZ 3.66Å; Y40-F118 HydrophobicContact CD1-CZ 3.66Å; Y40-F118 AromaticContact CD2-CE1 3.89Å; Y40-F118 HydrophobicContact CD2-CE1 3.89Å; Y40-F118 AromaticContact CD2-CZ 3.75Å; Y40-F118 HydrophobicContact CD2-CZ 3.75Å; Y40-F118 HydrophobicContact CE1-CE2 4.45Å; Y40-F118 AromaticContact CE1-CZ 3.71Å; Y40-F118 HydrophobicContact CE1-CZ 3.71Å; Y40-F118 HydrophobicContact CE2-CE1 4.4Å; Y40-F118 AromaticContact CE2-CZ 3.84Å; Y40-F118 HydrophobicContact CE2-CZ 3.84Å; Y40-F118 AromaticContact CG-CE1 3.79Å; Y40-F118 HydrophobicContact CG-CE1 3.79Å; Y40-F118 AromaticContact CG-CZ 3.67Å; Y40-F118 HydrophobicContact CG-CZ 3.67Å; Y40-F118 AromaticContact CZ-CZ 3.82Å; Q45-F118 CarbonylContact C-O 3.5Å; Q45-F118 WeakPolarHBondContact CA-O 3.18Å; K46-F118 PolarHBondContact N-O 2.91Å; K46-F118 PolarHBondContact O-N 2.87Å; W48-F118 HydrophobicContact CH2-CB 4.09Å; W48-F118 HydrophobicContact CZ3-CB 3.67Å; I67-F118 HydrophobicContact CD1-CD2 4.3Å; I67-F118 HydrophobicContact CD1-CE2 3.95Å; I67-F118 HydrophobicContact CG1-CE2 4.36Å; L78-F118 HydrophobicContact CB-CD2 4.5Å; L78-F118 HydrophobicContact CD1-CB 3.83Å; L78-F118 HydrophobicContact CD1-CD2 4.29Å; F118-F133 HydrophobicContact CB-CE1 4.08Å; F118-F133 HydrophobicContact CB-CZ 4.43Å; F118-F133 HydrophobicContact CD1-CE1 4.42Å; F118-F133 HydrophobicContact CD2-CD1 4.08Å; F118-F133 AromaticContact CD2-CE1 3.7Å; F118-F133 HydrophobicContact CD2-CE1 3.7Å; F118-F133 HydrophobicContact CE2-CD1 4.26Å; F118-F133 HydrophobicContact CE2-CE1 4.24Å; F118-F133 AromaticContact CG-CE1 3.8Å; F118-F133 HydrophobicContact CG-CE1 3.8Å
119	Q	81.7	Confident	73.9	Confident	67 Å²	67	64.2 Å²	64.2	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	178.9	-171.8	171.9	7.2	0	0	110.3	L44 L76 S77	L44-Q119 WeakPolarHBondContact O-CA 3.48Å; L76-Q119 WeakPolarHBondContact CA-O 3.37Å; S77-Q119 PolarHBondContact N-O 3.42Å; S77-Q119 PolarHBondContact O-N 3.32Å
120	S	76.1	Confident	72.4	Confident	5 Å²	5	70.4 Å²	70.4	4%	0.035	35%	0.353	C	S	.	.			trans	-105.2	154.8	174	65.6	0	0	0	0	112.1	P41 N43 L44	P41-S120 WeakPolarHBondContact O-CB 3.37Å; P41-S120 PolarHBondContact O-OG 3.12Å; N43-S120 PolarHBondContact N-OG 3.48Å; L44-S120 WeakPolarHBondContact CB-OG 3.31Å; L44-S120 PolarHBondContact N-OG 2.99Å; L44-S120 PolarHBondContact O-N 3.49Å; L44-S120 PolarHBondContact O-OG 2.71Å
121	D	70.2	Confident	71.8	Confident	25 Å²	25	67.3 Å²	67.3	13%	0.134	33%	0.333	C	S	.	.			trans	-92.7	179.3	-178.1	78.8	-19.7	0	0	0	112.8	V42 N43 I75 L76 N123	V42-D121 CarbonylContact C-O 3.52Å; V42-D121 WeakPolarHBondContact CA-O 3.34Å; V42-D121 VanDerWaalsContact CB-O 3.27Å; V42-D121 WeakPolarHBondContact CB-O 3.47Å; N43-D121 PolarHBondContact N-O 2.75Å; I75-D121 HydrophobicContact CG2-CB 3.61Å; L76-D121 HydrophobicContact CD1-CB 3.84Å; L76-D121 VanDerWaalsContact CD1-OD1 3.28Å; L76-D121 WeakPolarHBondContact CD1-OD1 3.48Å; L76-D121 HydrophobicContact CG-CB 4.32Å; D121-N123 PolarHBondContact O-N 3.14Å; D121-N123 PolarHBondContact OD1-N 2.76Å; D121-N123 PolarHBondContact OD2-ND2 3.07Å; D121-N123 VanDerWaalsContact OD2-ND2 3.11Å
122	D	65.5	Low	71.5	Confident	118 Å²	118	67.6 Å²	67.6	63%	0.631	33%	0.332	S	S	*	.	S	Bend	trans	-76.7	-1	178.8	-69.7	-40	0	0	0	113.9	N43	N43-D122 VanDerWaalsContact CB-OD1 3.28Å; N43-D122 WeakPolarHBondContact CB-OD1 3.35Å; N43-D122 PolarHBondContact ND2-OD1 3.27Å
123	N	61.6	Low	71.4	Confident	99 Å²	99	66.7 Å²	66.7	53%	0.529	33%	0.326	S	S	.	.	S	Bend	trans	-102.9	126.5	-174.1	-65.4	-54.1	0	0	0	111.6	V42 D121	V42-N123 WeakPolarHBondContact CG1-O 3.44Å; D121-N123 PolarHBondContact O-N 3.14Å; D121-N123 PolarHBondContact OD1-N 2.76Å; D121-N123 PolarHBondContact OD2-ND2 3.07Å; D121-N123 VanDerWaalsContact OD2-ND2 3.11Å
124	N	55.1	Low	71.3	Confident	128 Å²	128	61 Å²	61	68%	0.684	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-67.6	128.4	178.7	-153.8	25	0	0	0	110.4	V42	V42-N124 HydrophobicContact CG1-CB 4.39Å
125	P	56.5	Low	71.3	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.058	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.9	174.1	22.5	-29.6	0	0	0	110.9	L39 R127 V131	L39-P125 HydrophobicContact CD1-CG 4.35Å; L39-P125 HydrophobicContact CD2-CG 4.24Å; P125-R127 PolarHBondContact O-N 3.37Å; P125-V131 HydrophobicContact CB-CG2 3.98Å
126	D	56.1	Low	71.3	Confident	119 Å²	119	63.8 Å²	63.8	64%	0.636	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-58.1	136.5	176.1	-79	-45.2	0	0	0	110.2	N128 Q129	D126-N128 PolarHBondContact O-N 3.19Å; D126-Q129 PolarHBondContact O-N 2.76Å; D126-Q129 VanDerWaalsContact O-N 3.16Å
127	R	53.5	Low	71.4	Confident	236 Å²	236	65.8 Å²	65.8	89%	0.891	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-5.9	-174.6	-82.6	-175.7	174.9	-170.3	-1.3	115.8	P125	P125-R127 PolarHBondContact O-N 3.37Å
128	N	50.8	Low	71.5	Confident	164 Å²	164	69.7 Å²	69.7	88%	0.877	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	11.5	-177.4	-78.7	8.5	0	0	0	114.6	D126	D126-N128 PolarHBondContact O-N 3.19Å
129	Q	58	Low	71.6	Confident	93 Å²	93	70.4 Å²	70.4	44%	0.435	35%	0.349	S	S	.	.			trans	-115.5	130	174.2	-70.1	178.1	-4.5	0	0	110.6	L39 D126 V131	L39-Q129 WeakPolarHBondContact CD2-O 3.2Å; D126-Q129 PolarHBondContact O-N 2.76Å; D126-Q129 VanDerWaalsContact O-N 3.16Å; Q129-V131 VanDerWaalsContact C-N 3.31Å; Q129-V131 HydrophobicContact CB-CG2 3.69Å; Q129-V131 PolarHBondContact O-N 3.23Å
130	N	57.1	Low	71.8	Confident	131 Å²	131	70.2 Å²	70.2	70%	0.701	35%	0.35	S	S	*	.			trans	-82.6	76.3	176.3	-79.9	-9.6	0	0	0	109.6	D66 V132	D66-N130 WeakPolarHBondContact CB-O 3.4Å; N130-V132 PolarHBondContact O-N 3.2Å; N130-V132 VanDerWaalsContact O-N 3.15Å
131	V	69.6	Low	72.2	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.358	C	S	.	.			trans	-87	89	-174.7	-151.3	0	0	0	0	109.8	L39 Y40 D66 K68 P125 Q129	L39-V131 HydrophobicContact CD2-CB 4.1Å; L39-V131 HydrophobicContact CD2-CG2 4.18Å; Y40-V131 WeakPolarHBondContact CD1-O 3.48Å; Y40-V131 HydrophobicContact CE1-CB 3.85Å; Y40-V131 HydrophobicContact CE1-CG1 3.58Å; Y40-V131 WeakPolarHBondContact CE1-O 3.42Å; Y40-V131 WeakPolarHBondContact OH-CG1 3.31Å; D66-V131 CarbonylContact O-C 3.49Å; D66-V131 VanDerWaalsContact O-C 3.28Å; D66-V131 WeakPolarHBondContact O-CA 3.43Å; D66-V131 WeakPolarHBondContact O-CG1 3.46Å; K68-V131 HydrophobicContact CB-CG1 4.46Å; P125-V131 HydrophobicContact CB-CG2 3.98Å; Q129-V131 VanDerWaalsContact C-N 3.31Å; Q129-V131 HydrophobicContact CB-CG2 3.69Å; Q129-V131 PolarHBondContact O-N 3.23Å
132	V	77	Confident	72.9	Confident	18 Å²	18	74.5 Å²	74.5	11%	0.109	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	-173.2	173	0	0	0	0	109.5	S33 C36 D66 N130	S33-V132 WeakPolarHBondContact OG-CG1 3.07Å; C36-V132 HydrophobicContact CB-CG1 4.33Å; D66-V132 PolarHBondContact N-O 3.1Å; D66-V132 PolarHBondContact O-N 3.26Å; N130-V132 PolarHBondContact O-N 3.2Å; N130-V132 VanDerWaalsContact O-N 3.15Å
133	F	84.6	Confident	73.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.6	165.5	81.2	-92.5	0	0	0	111.8	I31 H32 S33 W48 H64 L65 I67 L78 F118	I31-F133 HydrophobicContact CG2-CE2 4.01Å; I31-F133 HydrophobicContact CG2-CZ 4.38Å; H32-F133 CarbonylContact C-O 3.57Å; H32-F133 WeakPolarHBondContact CA-O 3.09Å; S33-F133 PolarHBondContact N-O 2.97Å; W48-F133 HydrophobicContact CH2-CE1 4.2Å; W48-F133 AromaticContact CH2-CZ 3.63Å; W48-F133 HydrophobicContact CH2-CZ 3.63Å; W48-F133 HydrophobicContact CZ2-CZ 4.43Å; W48-F133 HydrophobicContact CZ3-CE1 4.48Å; W48-F133 AromaticContact CZ3-CZ 3.75Å; W48-F133 HydrophobicContact CZ3-CZ 3.75Å; H64-F133 CarbonylContact O-C 3.46Å; H64-F133 VanDerWaalsContact O-CA 3.26Å; H64-F133 WeakPolarHBondContact O-CA 3.31Å; L65-F133 HydrophobicContact CD1-CB 4.46Å; L65-F133 HydrophobicContact CG-CB 4.32Å; I67-F133 HydrophobicContact CD1-CB 4.44Å; I67-F133 HydrophobicContact CD1-CD1 4.37Å; L78-F133 HydrophobicContact CD1-CE1 4.21Å; L78-F133 HydrophobicContact CD1-CE2 4.26Å; L78-F133 HydrophobicContact CD1-CZ 3.93Å; L78-F133 HydrophobicContact CD2-CD1 4.5Å; L78-F133 HydrophobicContact CD2-CD2 3.86Å; L78-F133 HydrophobicContact CD2-CE2 3.98Å; L78-F133 HydrophobicContact CD2-CG 4.15Å; L78-F133 HydrophobicContact CD2-CZ 4.36Å; F118-F133 HydrophobicContact CB-CE1 4.08Å; F118-F133 HydrophobicContact CB-CZ 4.43Å; F118-F133 HydrophobicContact CD1-CE1 4.42Å; F118-F133 HydrophobicContact CD2-CD1 4.08Å; F118-F133 AromaticContact CD2-CE1 3.7Å; F118-F133 HydrophobicContact CD2-CE1 3.7Å; F118-F133 HydrophobicContact CE2-CD1 4.26Å; F118-F133 HydrophobicContact CE2-CE1 4.24Å; F118-F133 AromaticContact CG-CE1 3.8Å; F118-F133 HydrophobicContact CG-CE1 3.8Å
134	S	86.1	Confident	74.8	Confident	15 Å²	15	68.5 Å²	68.5	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132	170.7	-175.7	0	0	0	0	108.9	I31 H32 T63 H64	I31-S134 CarbonylContact O-C 3.53Å; I31-S134 WeakPolarHBondContact O-CA 3.44Å; H32-S134 PolarHBondContact CE1-OG 3.17Å; H32-S134 PolarHBondContact ND1-OG 2.85Å; T63-S134 PolarHBondContact N-O 2.84Å; T63-S134 WeakPolarHBondContact OG1-CB 3.22Å; T63-S134 PolarHBondContact OG1-O 3.26Å; T63-S134 VanDerWaalsContact OG1-O 3.06Å; T63-S134 PolarHBondContact OG1-OG 3.48Å; H64-S134 PolarHBondContact N-O 3.12Å; H64-S134 VanDerWaalsContact N-O 3.11Å; H64-S134 PolarHBondContact O-N 3.41Å; H64-S134 VanDerWaalsContact O-O 3.07Å
135	A	87.8	Confident	76.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.1	176.1	0	0	0	0	0	109.4	Q30 I31 L60 T61 F62	Q30-A135 CarbonylContact C-O 3.59Å; Q30-A135 VanDerWaalsContact CA-O 3.3Å; Q30-A135 WeakPolarHBondContact CA-O 3.5Å; I31-A135 PolarHBondContact N-O 3.14Å; I31-A135 PolarHBondContact O-N 2.88Å; L60-A135 HydrophobicContact CD1-CB 3.85Å; T61-A135 CarbonylContact O-C 3.56Å; T61-A135 WeakPolarHBondContact O-CA 3.28Å; F62-A135 HydrophobicContact CD1-CB 3.63Å; F62-A135 HydrophobicContact CE1-CB 3.68Å; F62-A135 HydrophobicContact CG-CB 4.42Å
136	Q	89.8	Confident	77.1	Confident	85 Å²	85	68.3 Å²	68.3	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.9	169.8	64	-173.3	1.3	0	0	108.6	G29 Q30 T61 T63	G29-Q136 CarbonylContact O-C 3.49Å; G29-Q136 VanDerWaalsContact O-CA 3.31Å; G29-Q136 WeakPolarHBondContact O-CA 3.24Å; Q30-Q136 HydrophobicContact CG-CB 4.2Å; T61-Q136 PolarHBondContact N-O 3.1Å; T61-Q136 PolarHBondContact O-N 3.02Å; T63-Q136 HydrophobicContact CG2-CB 4.47Å; T63-Q136 HydrophobicContact CG2-CG 3.95Å
137	Y	89.7	Confident	77.7	Confident	42 Å²	42	64.7 Å²	64.7	17%	0.165	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.2	173	69.8	-93	0	0	0	110.1	S28 G29 I31 I50 N59	S28-Y137 CarbonylContact C-O 3.51Å; S28-Y137 WeakPolarHBondContact CA-O 2.94Å; S28-Y137 VanDerWaalsContact CB-O 3.23Å; S28-Y137 WeakPolarHBondContact CB-O 3.01Å; G29-Y137 VanDerWaalsContact CA-CE1 3.46Å; G29-Y137 PolarHBondContact N-O 2.83Å; G29-Y137 VanDerWaalsContact O-CD1 3.31Å; G29-Y137 WeakPolarHBondContact O-CD1 3.18Å; G29-Y137 PolarHBondContact O-N 3.36Å; I31-Y137 HydrophobicContact CD1-CD1 4.22Å; I31-Y137 HydrophobicContact CD1-CE1 4.4Å; I31-Y137 HydrophobicContact CG1-CD1 4.25Å; I31-Y137 HydrophobicContact CG1-CE1 4.26Å; I50-Y137 HydrophobicContact CD1-CD1 3.79Å; I50-Y137 HydrophobicContact CD1-CE1 4.4Å; I50-Y137 HydrophobicContact CD1-CG 3.92Å; I50-Y137 HydrophobicContact CG1-CD1 4.39Å; I50-Y137 HydrophobicContact CG2-CD1 4.25Å; I50-Y137 HydrophobicContact CG2-CD2 3.56Å; I50-Y137 HydrophobicContact CG2-CE1 4.3Å; I50-Y137 HydrophobicContact CG2-CE2 3.64Å; I50-Y137 HydrophobicContact CG2-CG 3.88Å; N59-Y137 CarbonylContact O-C 3.28Å; N59-Y137 VanDerWaalsContact O-CA 3.24Å; N59-Y137 WeakPolarHBondContact O-CA 3.36Å
138	Q	89	Confident	78.1	Confident	108 Å²	108	59.1 Å²	59.1	51%	0.505	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141	175.3	-174.1	175.9	15	0	0	110.2	D27 N59	D27-Q138 WeakPolarHBondContact O-CA 2.85Å; N59-Q138 PolarHBondContact N-O 3.01Å; N59-Q138 PolarHBondContact O-N 3.49Å
139	A	87.7	Confident	78.5	Confident	15 Å²	15	59.8 Å²	59.8	12%	0.124	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.7	168.9	0	0	0	0	0	109.8	D27 V52 F56 Q57	D27-A139 PolarHBondContact O-N 3.49Å; V52-A139 HydrophobicContact CB-CB 4.11Å; V52-A139 HydrophobicContact CG1-CB 3.7Å; F56-A139 HydrophobicContact CB-CB 4.35Å; F56-A139 HydrophobicContact CD1-CB 4.03Å; F56-A139 HydrophobicContact CG-CB 4.42Å; Q57-A139 CarbonylContact O-C 3.44Å; Q57-A139 WeakPolarHBondContact O-CA 3.49Å
140	I	85.8	Confident	78.6	Confident	63 Å²	63	57.8 Å²	57.8	32%	0.323	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.5	172.9	-61.1	-166.8	0	0	0	108	F56 Q57 N59 L108 K142	F56-I140 CarbonylContact C-O 3.51Å; F56-I140 WeakPolarHBondContact CA-O 3.44Å; Q57-I140 PolarHBondContact N-O 3.46Å; Q57-I140 PolarHBondContact O-N 3.44Å; N59-I140 HydrophobicContact CB-CD1 3.4Å; N59-I140 HydrophobicContact CB-CG1 3.77Å; L108-I140 HydrophobicContact CD1-CD1 4.31Å; I140-K142 PolarHBondContact O-N 3.48Å
141	D	85.7	Confident	78.5	Confident	38 Å²	38	61 Å²	61	20%	0.203	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	130.8	174.9	-177.1	54.8	0	0	0	111.1	F56 N164 L166 G167	F56-D141 HydrophobicContact CD1-CB 4.32Å; F56-D141 HydrophobicContact CE1-CB 4.11Å; D141-N164 PolarHBondContact OD2-ND2 2.04Å; D141-L166 HydrophobicContact CB-CD2 4.01Å; D141-L166 WeakPolarHBondContact OD1-CA 3.11Å; D141-G167 PolarHBondContact OD1-N 3.4Å
142	K	83.3	Confident	77.8	Confident	83 Å²	83	68.2 Å²	68.2	36%	0.361	37%	0.365	S	S	.	.			trans	-84.4	116.1	177.7	-176.9	-172.8	176.2	-175.8	0	108.5	G55 Q57 I140 E144 N164	G55-K142 WeakPolarHBondContact O-CB 3.46Å; G55-K142 PolarHBondContact O-N 2.89Å; Q57-K142 HydrophobicContact CG-CB 4.41Å; I140-K142 PolarHBondContact O-N 3.48Å; K142-E144 HydrophobicContact CD-CG 4.49Å; K142-E144 PolarHBondContact O-N 3.02Å; K142-N164 PolarHBondContact O-OD1 2.82Å
143	D	84	Confident	76.7	Confident	67 Å²	67	70.8 Å²	70.8	36%	0.358	40%	0.395	S	S	.	.			trans	-73.2	94.7	173.6	-175	-7.1	0	0	0	111	C145 S146 N164	D143-C145 VanDerWaalsContact C-N 3.27Å; D143-C145 PolarHBondContact O-N 3.03Å; D143-C145 WeakPolarHBondContact OD1-CB 3.36Å; D143-C145 PolarHBondContact OD1-N 3.49Å; D143-S146 VanDerWaalsContact CG-OG 3.28Å; D143-S146 PolarHBondContact O-N 3.38Å; D143-S146 PolarHBondContact OD1-N 3.25Å; D143-S146 VanDerWaalsContact OD1-N 3.13Å; D143-S146 VanDerWaalsContact OD2-CB 3.28Å; D143-S146 WeakPolarHBondContact OD2-CB 3.33Å; D143-S146 PolarHBondContact OD2-OG 3.24Å; D143-N164 WeakPolarHBondContact CA-OD1 3.19Å
144	E	83.9	Confident	75.3	Confident	23 Å²	23	75.1 Å²	75.1	11%	0.107	43%	0.425	C	S	.	.	S	Bend	trans	-68.7	-26.9	178.3	-65.8	98.8	176.7	0	0	112.6	K142 S146 A147 L157 N164 Y169	K142-E144 HydrophobicContact CD-CG 4.49Å; K142-E144 PolarHBondContact O-N 3.02Å; E144-S146 VanDerWaalsContact C-N 3.29Å; E144-S146 PolarHBondContact O-N 3.32Å; E144-A147 WeakPolarHBondContact O-CB 3.5Å; E144-A147 PolarHBondContact O-N 2.74Å; E144-L157 WeakPolarHBondContact O-CD1 3.35Å; E144-N164 PolarHBondContact N-OD1 3.04Å; E144-N164 PolarHBondContact OE2-OD1 2.92Å; E144-Y169 HydrophobicContact CB-CD1 3.89Å; E144-Y169 HydrophobicContact CB-CG 4.3Å; E144-Y169 HydrophobicContact CG-CD1 4.11Å
145	C	81.8	Confident	74.1	Confident	43 Å²	43	76.1 Å²	76.1	29%	0.291	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.8	-179.5	-61.9	0	0	0	0	112.9	D143 C162 N164	D143-C145 VanDerWaalsContact C-N 3.27Å; D143-C145 PolarHBondContact O-N 3.03Å; D143-C145 WeakPolarHBondContact OD1-CB 3.36Å; D143-C145 PolarHBondContact OD1-N 3.49Å; C145-C162 WeakPolarHBondContact CA-SG 3.34Å; C145-C162 HydrophobicContact CB-CB 3.8Å; C145-C162 WeakPolarHBondContact CB-SG 3.12Å; C145-C162 WeakPolarHBondContact SG-CB 3.5Å; C145-C162 CovalentContact SG-SG 2.05Å; C145-C162 PolarHBondContact SG-SG 2.85Å; C145-N164 PolarHBondContact SG-N 3.11Å; C145-N164 VanDerWaalsContact SG-N 3.39Å
146	S	77.9	Confident	73	Confident	91 Å²	91	80.1 Å²	80.1	64%	0.636	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.3	177.8	-65.4	0	0	0	0	113.9	D143 E144	D143-S146 VanDerWaalsContact CG-OG 3.28Å; D143-S146 PolarHBondContact O-N 3.38Å; D143-S146 PolarHBondContact OD1-N 3.25Å; D143-S146 VanDerWaalsContact OD1-N 3.13Å; D143-S146 VanDerWaalsContact OD2-CB 3.28Å; D143-S146 WeakPolarHBondContact OD2-CB 3.33Å; D143-S146 PolarHBondContact OD2-OG 3.24Å; E144-S146 VanDerWaalsContact C-N 3.29Å; E144-S146 PolarHBondContact O-N 3.32Å
147	A	68.1	Low	72.2	Confident	42 Å²	42	78.5 Å²	78.5	35%	0.347	46%	0.458	S	S	.	.	S	Bend	trans	-69.4	143.5	-179.4	0	0	0	0	0	112.1	E144	E144-A147 WeakPolarHBondContact O-CB 3.5Å; E144-A147 PolarHBondContact O-N 2.74Å
148	P	62.5	Low	71.8	Confident	120 Å²	120	77 Å²	77	78%	0.779	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.3	173.7	24	-31.3	0	0	0	110.7
149	K	59.8	Low	71	Confident	177 Å²	177	74.6 Å²	74.6	77%	0.77	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-51.4	135.5	-177.7	-70.4	-178.6	179.2	179	0	110.7	E151	K149-E151 PolarHBondContact O-N 2.74Å
150	P	60.5	Low	70.5	Confident	51 Å²	51	76.9 Å²	76.9	33%	0.331	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.9	-179.5	-13.4	21.4	0	0	0	111.3	D152	P150-D152 PolarHBondContact O-N 3.43Å
151	E	53.2	Low	70.2	Confident	199 Å²	199	76.5 Å²	76.5	93%	0.93	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.7	177.6	-70.6	-171.4	162.9	0	0	112.8	K149 G153	K149-E151 PolarHBondContact O-N 2.74Å; E151-G153 PolarHBondContact O-N 2.81Å; E151-G153 VanDerWaalsContact O-N 3.09Å
152	D	56	Low	70.2	Confident	151 Å²	151	76.6 Å²	76.6	81%	0.807	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	7.5	-176	-66.1	-13.8	0	0	0	114.7	P150 S154	P150-D152 PolarHBondContact O-N 3.43Å; D152-S154 PolarHBondContact O-N 3.16Å; D152-S154 VanDerWaalsContact O-N 3.15Å
153	G	53.1	Low	70.3	Confident	72 Å²	72	76.9 Å²	76.9	74%	0.742	46%	0.463	S	S	*	.	S	Bend	trans	68.8	11.5	175.9	0	0	0	0	0	114.9	E151 G155	E151-G153 PolarHBondContact O-N 2.81Å; E151-G153 VanDerWaalsContact O-N 3.09Å; G153-G155 PolarHBondContact O-N 3.05Å
154	S	56.4	Low	70.3	Confident	91 Å²	91	76.3 Å²	76.3	64%	0.636	46%	0.46	S	S	*	.			trans	-76.3	6.6	-177.8	51.3	0	0	0	0	115	D152	D152-S154 PolarHBondContact O-N 3.16Å; D152-S154 VanDerWaalsContact O-N 3.15Å
155	G	60	Low	70.3	Confident	36 Å²	36	77.5 Å²	77.5	37%	0.371	47%	0.469	S	S	.	.			trans	78.8	-178.8	179.1	0	0	0	0	0	113.8	G153	G153-G155 PolarHBondContact O-N 3.05Å
156	P	65	Low	70.3	Confident	86 Å²	86	82.6 Å²	82.6	56%	0.558	49%	0.492	S	S	*	.			trans	-65.3	149.3	174.7	29	-33.6	0	0	0	111.5	C158	P156-C158 VanDerWaalsContact C-N 3.33Å; P156-C158 PolarHBondContact O-N 2.91Å
157	L	73.9	Confident	70.3	Confident	51 Å²	51	79.1 Å²	79.1	27%	0.267	47%	0.47	S	S	.	.	S	Bend	trans	-55.4	-42	-177.8	-82.9	147.4	0	0	0	113.7	E144 Y169	E144-L157 WeakPolarHBondContact O-CD1 3.35Å; L157-Y169 HydrophobicContact CB-CE2 4.47Å; L157-Y169 HydrophobicContact CD2-CE1 4.12Å; L157-Y169 HydrophobicContact CD2-CE2 4.41Å
158	C	79.4	Confident	71.1	Confident	11 Å²	11	80 Å²	80	7%	0.074	47%	0.474	C	S	.	.	S	Bend	trans	-122.2	143.8	170.9	-62.5	0	0	0	0	109.4	P156 I161 C162 C171	P156-C158 VanDerWaalsContact C-N 3.33Å; P156-C158 PolarHBondContact O-N 2.91Å; C158-I161 WeakPolarHBondContact CB-O 3.23Å; C158-C162 HydrophobicContact CB-CB 4.02Å; C158-C171 VanDerWaalsContact CA-SG 3.5Å; C158-C171 HydrophobicContact CB-CB 3.7Å; C158-C171 WeakPolarHBondContact CB-SG 3.07Å; C158-C171 WeakPolarHBondContact SG-CA 3.34Å; C158-C171 WeakPolarHBondContact SG-CB 3.47Å; C158-C171 CovalentContact SG-SG 2.04Å; C158-C171 PolarHBondContact SG-SG 2.85Å
159	S	73.6	Confident	72.2	Confident	56 Å²	56	76.2 Å²	76.2	39%	0.392	44%	0.444	S	S	.	.	S	Bend	trans	-70.9	-26.9	179.6	57.5	0	0	0	0	114.4	R184 T185 C186	S159-R184 WeakPolarHBondContact CB-O 3.32Å; S159-R184 PolarHBondContact N-O 2.87Å; S159-R184 PolarHBondContact OG-O 2.8Å; S159-T185 WeakPolarHBondContact OG-CA 3.28Å; S159-C186 PolarHBondContact OG-N 3.2Å
160	Q	76.3	Confident	73.5	Confident	63 Å²	63	72.5 Å²	72.5	29%	0.294	43%	0.433	S	S	.	.	S	Bend	trans	-131.8	-82.9	-179.9	-66.7	-176.9	-4.5	0	0	112.2	Y177 C186	Q160-Y177 VanDerWaalsContact NE2-CD1 3.29Å; Q160-C186 VanDerWaalsContact CD-CB 3.46Å; Q160-C186 HydrophobicContact CG-CB 3.91Å
161	I	79.9	Confident	74.6	Confident	56 Å²	56	70.7 Å²	70.7	29%	0.287	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	-177.9	-55.1	168	0	0	0	109.1	C158 L163 C171 A172 H174	C158-I161 WeakPolarHBondContact CB-O 3.23Å; I161-L163 HydrophobicContact CG2-CD2 3.9Å; I161-L163 HydrophobicContact CG2-CG 4.03Å; I161-C171 WeakPolarHBondContact O-CA 3.43Å; I161-A172 HydrophobicContact CB-CB 4.12Å; I161-A172 WeakPolarHBondContact CB-O 3.42Å; I161-A172 HydrophobicContact CD1-CB 4.49Å; I161-A172 HydrophobicContact CG2-CB 4.36Å; I161-A172 PolarHBondContact N-O 3.33Å; I161-A172 PolarHBondContact O-N 2.98Å; I161-H174 WeakPolarHBondContact CD1-CD2 3.44Å; I161-H174 VanDerWaalsContact CG1-CD2 3.43Å; I161-H174 WeakPolarHBondContact CG1-CD2 3.49Å
162	C	85.7	Confident	75.8	Confident	40 Å²	40	62.7 Å²	62.7	27%	0.27	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.4	168.7	-172.2	0	0	0	0	109.2	C145 C158	C145-C162 WeakPolarHBondContact CA-SG 3.34Å; C145-C162 HydrophobicContact CB-CB 3.8Å; C145-C162 WeakPolarHBondContact CB-SG 3.12Å; C145-C162 WeakPolarHBondContact SG-CB 3.5Å; C145-C162 CovalentContact SG-SG 2.05Å; C145-C162 PolarHBondContact SG-SG 2.85Å; C158-C162 HydrophobicContact CB-CB 4.02Å
163	L	85.9	Confident	76.8	Confident	89 Å²	89	56.9 Å²	56.9	47%	0.466	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.4	175.9	-61.1	174.7	0	0	0	108.5	I161 Y169 L170 A172	I161-L163 HydrophobicContact CG2-CD2 3.9Å; I161-L163 HydrophobicContact CG2-CG 4.03Å; L163-Y169 WeakPolarHBondContact O-CA 3.4Å; L163-L170 PolarHBondContact N-O 3.01Å; L163-L170 PolarHBondContact O-N 3.07Å; L163-A172 HydrophobicContact CD1-CB 4.04Å
164	N	84.4	Confident	77.5	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.294	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.6	175.6	-167.1	61.4	0	0	0	110.2	D141 K142 D143 E144 C145	D141-N164 PolarHBondContact OD2-ND2 2.04Å; K142-N164 PolarHBondContact O-OD1 2.82Å; D143-N164 WeakPolarHBondContact CA-OD1 3.19Å; E144-N164 PolarHBondContact N-OD1 3.04Å; E144-N164 PolarHBondContact OE2-OD1 2.92Å; C145-N164 PolarHBondContact SG-N 3.11Å; C145-N164 VanDerWaalsContact SG-N 3.39Å
165	T	83.2	Confident	77.4	Confident	48 Å²	48	64 Å²	64	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.9	179.4	57.2	0	0	0	0	110	G167 S168 L170	T165-G167 PolarHBondContact O-N 2.82Å; T165-S168 CarbonylContact C-O 3.6Å; T165-S168 VanDerWaalsContact C-O 3.28Å; T165-S168 VanDerWaalsContact CA-O 3.31Å; T165-S168 WeakPolarHBondContact CA-O 3.36Å; T165-S168 PolarHBondContact N-O 2.97Å; T165-S168 PolarHBondContact O-N 2.04Å; T165-S168 VanDerWaalsContact O-N 3.11Å; T165-S168 PolarHBondContact OG1-O 2.85Å; T165-L170 HydrophobicContact CG2-CD1 3.8Å; T165-L170 HydrophobicContact CG2-CG 4.28Å
166	L	81.1	Confident	77.2	Confident	149 Å²	149	64.1 Å²	64.1	78%	0.78	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	114.7	179.7	-68.7	173.4	0	0	0	111.1	F56 D141 S168	F56-L166 HydrophobicContact CZ-CB 4.46Å; D141-L166 HydrophobicContact CB-CD2 4.01Å; D141-L166 WeakPolarHBondContact OD1-CA 3.11Å; L166-S168 VanDerWaalsContact C-N 3.35Å
167	G	79.1	Confident	77.4	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	6.3	-179.1	0	0	0	0	0	115.4	D141 T165	D141-G167 PolarHBondContact OD1-N 3.4Å; T165-G167 PolarHBondContact O-N 2.82Å
168	S	84.4	Confident	77.1	Confident	60 Å²	60	66.7 Å²	66.7	42%	0.42	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	-172.3	-179.2	-151	0	0	0	0	113.4	T165 L166	T165-S168 CarbonylContact C-O 3.6Å; T165-S168 VanDerWaalsContact C-O 3.28Å; T165-S168 VanDerWaalsContact CA-O 3.31Å; T165-S168 WeakPolarHBondContact CA-O 3.36Å; T165-S168 PolarHBondContact N-O 2.97Å; T165-S168 PolarHBondContact O-N 2.04Å; T165-S168 VanDerWaalsContact O-N 3.11Å; T165-S168 PolarHBondContact OG1-O 2.85Å; L166-S168 VanDerWaalsContact C-N 3.35Å
169	Y	85.9	Confident	77	Confident	41 Å²	41	69.6 Å²	69.6	16%	0.161	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.9	170.7	69.5	-78.8	0	0	0	111.5	E144 L157 L163 R184	E144-Y169 HydrophobicContact CB-CD1 3.89Å; E144-Y169 HydrophobicContact CB-CG 4.3Å; E144-Y169 HydrophobicContact CG-CD1 4.11Å; L157-Y169 HydrophobicContact CB-CE2 4.47Å; L157-Y169 HydrophobicContact CD2-CE1 4.12Å; L157-Y169 HydrophobicContact CD2-CE2 4.41Å; L163-Y169 WeakPolarHBondContact O-CA 3.4Å; Y169-R184 VanDerWaalsContact OH-CZ 3.31Å; Y169-R184 PolarHBondContact OH-NE 2.7Å; Y169-R184 PolarHBondContact OH-NH2 3.48Å; Y169-R184 VanDerWaalsContact OH-NH2 3.09Å
170	L	85.8	Confident	77.1	Confident	100 Å²	100	72.3 Å²	72.3	52%	0.524	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.5	172.4	-71.2	161.3	0	0	0	109.4	L163 T165	L163-L170 PolarHBondContact N-O 3.01Å; L163-L170 PolarHBondContact O-N 3.07Å; T165-L170 HydrophobicContact CG2-CD1 3.8Å; T165-L170 HydrophobicContact CG2-CG 4.28Å
171	C	84.6	Confident	77	Confident	13 Å²	13	75.1 Å²	75.1	9%	0.088	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.2	169.1	-55.6	0	0	0	0	110.2	C158 I161 L179 Q183	C158-C171 VanDerWaalsContact CA-SG 3.5Å; C158-C171 HydrophobicContact CB-CB 3.7Å; C158-C171 WeakPolarHBondContact CB-SG 3.07Å; C158-C171 WeakPolarHBondContact SG-CA 3.34Å; C158-C171 WeakPolarHBondContact SG-CB 3.47Å; C158-C171 CovalentContact SG-SG 2.04Å; C158-C171 PolarHBondContact SG-SG 2.85Å; I161-C171 WeakPolarHBondContact O-CA 3.43Å; C171-L179 HydrophobicContact CB-CD1 4.04Å; C171-L179 WeakPolarHBondContact O-CD2 3.16Å; C171-Q183 VanDerWaalsContact CB-O 3.31Å; C171-Q183 WeakPolarHBondContact CB-O 3.48Å; C171-Q183 PolarHBondContact SG-O 2.9Å
172	A	78.9	Confident	76.9	Confident	30 Å²	30	75.6 Å²	75.6	25%	0.248	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.3	173.7	0	0	0	0	0	110.4	I161 L163	I161-A172 HydrophobicContact CB-CB 4.12Å; I161-A172 WeakPolarHBondContact CB-O 3.42Å; I161-A172 HydrophobicContact CD1-CB 4.49Å; I161-A172 HydrophobicContact CG2-CB 4.36Å; I161-A172 PolarHBondContact N-O 3.33Å; I161-A172 PolarHBondContact O-N 2.98Å; L163-A172 HydrophobicContact CD1-CB 4.04Å
173	C	77	Confident	76.5	Confident	30 Å²	30	80.2 Å²	80.2	20%	0.203	43%	0.428	C	S	.	.			trans	-113.3	149.6	-177.4	-56.1	0	0	0	0	111.2	Y177 C186	C173-Y177 WeakPolarHBondContact CB-O 3.37Å; C173-C186 WeakPolarHBondContact CA-SG 3.36Å; C173-C186 HydrophobicContact CB-CB 3.75Å; C173-C186 WeakPolarHBondContact CB-SG 3.07Å; C173-C186 WeakPolarHBondContact SG-CA 3.38Å; C173-C186 WeakPolarHBondContact SG-CB 3.37Å; C173-C186 CovalentContact SG-SG 2.03Å; C173-C186 PolarHBondContact SG-SG 2.86Å
174	H	66.2	Low	76.2	Confident	112 Å²	112	82.2 Å²	82.2	52%	0.519	43%	0.429	S	S	.	.			trans	-64.6	155.9	169.2	-72	-157.5	0	0	0	109.3	I161 G176 Y177	I161-H174 WeakPolarHBondContact CD1-CD2 3.44Å; I161-H174 VanDerWaalsContact CG1-CD2 3.43Å; I161-H174 WeakPolarHBondContact CG1-CD2 3.49Å; H174-G176 PolarHBondContact O-N 3.28Å; H174-Y177 HydrophobicContact CB-CD2 4.46Å; H174-Y177 PolarHBondContact O-N 3.46Å; H174-Y177 VanDerWaalsContact O-N 3.09Å
175	H	55.7	Low	75.8	Confident	201 Å²	201	82 Å²	82	93%	0.931	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	128.8	177.8	-168.8	-87.3	0	0	0	111.3
176	G	54.9	Low	75.2	Confident	37 Å²	37	80.4 Å²	80.4	38%	0.381	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-1	-175.5	0	0	0	0	0	115.4	H174 L188 S189	H174-G176 PolarHBondContact O-N 3.28Å; G176-L188 WeakPolarHBondContact O-CD1 2.93Å; G176-S189 PolarHBondContact O-N 3.35Å
177	Y	69.1	Low	74.4	Confident	70 Å²	70	78.1 Å²	78.1	28%	0.275	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.3	172.7	-68.2	-102.8	0	0	0	110.5	Q160 C173 H174 C186 M187 L188 P212	Q160-Y177 VanDerWaalsContact NE2-CD1 3.29Å; C173-Y177 WeakPolarHBondContact CB-O 3.37Å; H174-Y177 HydrophobicContact CB-CD2 4.46Å; H174-Y177 PolarHBondContact O-N 3.46Å; H174-Y177 VanDerWaalsContact O-N 3.09Å; Y177-C186 HydrophobicContact CD1-CB 4.3Å; Y177-C186 HydrophobicContact CG-CB 4.5Å; Y177-M187 CarbonylContact C-O 3.55Å; Y177-M187 VanDerWaalsContact CA-O 3.25Å; Y177-M187 WeakPolarHBondContact CA-O 3.46Å; Y177-L188 HydrophobicContact CD1-CB 4.01Å; Y177-L188 HydrophobicContact CD1-CD1 3.87Å; Y177-L188 HydrophobicContact CD2-CD1 3.78Å; Y177-L188 HydrophobicContact CE1-CB 3.88Å; Y177-L188 HydrophobicContact CE1-CD1 3.5Å; Y177-L188 HydrophobicContact CE1-CG 4.3Å; Y177-L188 HydrophobicContact CE2-CD1 3.4Å; Y177-L188 VanDerWaalsContact CE2-CD1 3.4Å; Y177-L188 HydrophobicContact CG-CD1 3.99Å; Y177-P212 VanDerWaalsContact OH-CG 3.23Å; Y177-P212 WeakPolarHBondContact OH-CG 3.45Å
178	E	68.8	Low	73.6	Confident	121 Å²	121	79.6 Å²	79.6	57%	0.565	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.2	173.6	-76.9	177.6	-156.4	0	0	110.9	R180 M187 S189	E178-R180 PolarHBondContact O-N 3.08Å; E178-M187 PolarHBondContact N-O 2.89Å; E178-M187 PolarHBondContact O-N 2.94Å; E178-S189 VanDerWaalsContact CD-CB 3.43Å; E178-S189 VanDerWaalsContact CD-OG 3.28Å; E178-S189 WeakPolarHBondContact OE1-CB 3.49Å; E178-S189 PolarHBondContact OE1-OG 3.48Å
179	L	77.5	Confident	72.6	Confident	72 Å²	72	78.3 Å²	78.3	38%	0.377	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.9	177.5	-168.6	70	0	0	0	109.4	C171 Q183	C171-L179 HydrophobicContact CB-CD1 4.04Å; C171-L179 WeakPolarHBondContact O-CD2 3.16Å; L179-Q183 HydrophobicContact CD2-CB 4.39Å
180	R	75.6	Confident	71.6	Confident	114 Å²	114	77.6 Å²	77.6	43%	0.43	40%	0.402	S	S	.	.			trans	-64	165.9	177.3	-74.6	-174.7	72.7	179.3	-5.1	111.5	E178 D182 Q183 T185 M187	E178-R180 PolarHBondContact O-N 3.08Å; R180-D182 WeakPolarHBondContact CB-OD1 3.39Å; R180-D182 PolarHBondContact O-N 3.29Å; R180-Q183 WeakPolarHBondContact O-CA 3.43Å; R180-Q183 PolarHBondContact O-N 2.82Å; R180-T185 WeakPolarHBondContact CB-O 3.23Å; R180-T185 WeakPolarHBondContact CG-O 3.25Å; R180-T185 PolarHBondContact N-O 3.35Å; R180-M187 HydrophobicContact CG-CB 4.25Å; R180-M187 HydrophobicContact CG-CE 4.13Å; R180-M187 HydrophobicContact CG-CG 3.62Å; R180-M187 HydrophobicContact CG-SD 4.02Å
181	S	73.4	Confident	70.4	Confident	122 Å²	122	74.1 Å²	74.1	85%	0.853	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.1	171.6	59.9	0	0	0	0	114.4	Q183	S181-Q183 PolarHBondContact O-N 2.86Å
182	D	76.8	Confident	69.2	Low	66 Å²	66	78.4 Å²	78.4	35%	0.353	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.6	173.2	68.2	11.4	0	0	0	113.4	R180 R184 T185	R180-D182 WeakPolarHBondContact CB-OD1 3.39Å; R180-D182 PolarHBondContact O-N 3.29Å; D182-R184 PolarHBondContact O-N 2.55Å; D182-R184 PolarHBondContact OD1-N 3.47Å; D182-T185 PolarHBondContact OD1-N 2.92Å; D182-T185 VanDerWaalsContact OD2-CB 3.24Å; D182-T185 WeakPolarHBondContact OD2-CB 3.36Å; D182-T185 PolarHBondContact OD2-OG1 3.2Å
183	Q	78.8	Confident	68.7	Low	136 Å²	136	78.5 Å²	78.5	64%	0.636	42%	0.424	S	S	*	.	S	Bend	trans	55.2	18.2	-179.1	-61.4	-171	-11.2	0	0	115.1	C171 L179 R180 S181	C171-Q183 VanDerWaalsContact CB-O 3.31Å; C171-Q183 WeakPolarHBondContact CB-O 3.48Å; C171-Q183 PolarHBondContact SG-O 2.9Å; L179-Q183 HydrophobicContact CD2-CB 4.39Å; R180-Q183 WeakPolarHBondContact O-CA 3.43Å; R180-Q183 PolarHBondContact O-N 2.82Å; S181-Q183 PolarHBondContact O-N 2.86Å
184	R	78.4	Confident	68.9	Low	132 Å²	132	81.3 Å²	81.3	50%	0.498	44%	0.44	S	S	.	.	S	Bend	trans	-129.6	-32.3	-177.8	-68	-177	-179.8	-177.2	2.5	113.2	S159 Y169 D182	S159-R184 WeakPolarHBondContact CB-O 3.32Å; S159-R184 PolarHBondContact N-O 2.87Å; S159-R184 PolarHBondContact OG-O 2.8Å; Y169-R184 VanDerWaalsContact OH-CZ 3.31Å; Y169-R184 PolarHBondContact OH-NE 2.7Å; Y169-R184 PolarHBondContact OH-NH2 3.48Å; Y169-R184 VanDerWaalsContact OH-NH2 3.09Å; D182-R184 PolarHBondContact O-N 2.55Å; D182-R184 PolarHBondContact OD1-N 3.47Å
185	T	76.1	Confident	69.9	Low	50 Å²	50	79.1 Å²	79.1	31%	0.307	43%	0.429	S	S	.	.			trans	-102.6	124.7	-171.9	-50.8	0	0	0	0	110.8	S159 R180 D182	S159-T185 WeakPolarHBondContact OG-CA 3.28Å; R180-T185 WeakPolarHBondContact CB-O 3.23Å; R180-T185 WeakPolarHBondContact CG-O 3.25Å; R180-T185 PolarHBondContact N-O 3.35Å; D182-T185 PolarHBondContact OD1-N 2.92Å; D182-T185 VanDerWaalsContact OD2-CB 3.24Å; D182-T185 WeakPolarHBondContact OD2-CB 3.36Å; D182-T185 PolarHBondContact OD2-OG1 3.2Å
186	C	71.7	Confident	71.5	Confident	14 Å²	14	75.2 Å²	75.2	10%	0.095	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.9	173.8	-66.5	0	0	0	0	109.6	S159 Q160 C173 Y177	S159-C186 PolarHBondContact OG-N 3.2Å; Q160-C186 VanDerWaalsContact CD-CB 3.46Å; Q160-C186 HydrophobicContact CG-CB 3.91Å; C173-C186 WeakPolarHBondContact CA-SG 3.36Å; C173-C186 HydrophobicContact CB-CB 3.75Å; C173-C186 WeakPolarHBondContact CB-SG 3.07Å; C173-C186 WeakPolarHBondContact SG-CA 3.38Å; C173-C186 WeakPolarHBondContact SG-CB 3.37Å; C173-C186 CovalentContact SG-SG 2.03Å; C173-C186 PolarHBondContact SG-SG 2.86Å; Y177-C186 HydrophobicContact CD1-CB 4.3Å; Y177-C186 HydrophobicContact CG-CB 4.5Å
187	M	63.9	Low	73.2	Confident	102 Å²	102	79.7 Å²	79.7	50%	0.502	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.3	171.2	-74.1	-159.5	-32.7	0	0	110.7	Y177 E178 R180 S189	Y177-M187 CarbonylContact C-O 3.55Å; Y177-M187 VanDerWaalsContact CA-O 3.25Å; Y177-M187 WeakPolarHBondContact CA-O 3.46Å; E178-M187 PolarHBondContact N-O 2.89Å; E178-M187 PolarHBondContact O-N 2.94Å; R180-M187 HydrophobicContact CG-CB 4.25Å; R180-M187 HydrophobicContact CG-CE 4.13Å; R180-M187 HydrophobicContact CG-CG 3.62Å; R180-M187 HydrophobicContact CG-SD 4.02Å; M187-S189 PolarHBondContact O-N 3.11Å
188	L	62.5	Low	74.2	Confident	48 Å²	48	80.7 Å²	80.7	25%	0.251	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.9	179.4	-164	85	0	0	0	110.1	G176 Y177 C190 P205 L215	G176-L188 WeakPolarHBondContact O-CD1 2.93Å; Y177-L188 HydrophobicContact CD1-CB 4.01Å; Y177-L188 HydrophobicContact CD1-CD1 3.87Å; Y177-L188 HydrophobicContact CD2-CD1 3.78Å; Y177-L188 HydrophobicContact CE1-CB 3.88Å; Y177-L188 HydrophobicContact CE1-CD1 3.5Å; Y177-L188 HydrophobicContact CE1-CG 4.3Å; Y177-L188 HydrophobicContact CE2-CD1 3.4Å; Y177-L188 VanDerWaalsContact CE2-CD1 3.4Å; Y177-L188 HydrophobicContact CG-CD1 3.99Å; L188-C190 HydrophobicContact CD2-CB 4.24Å; L188-C190 HydrophobicContact CG-CB 4.48Å; L188-P205 HydrophobicContact CD1-CB 4.08Å; L188-P205 HydrophobicContact CD2-CB 3.94Å; L188-P205 HydrophobicContact CD2-CG 4.03Å; L188-L215 HydrophobicContact CD2-CD1 2.93Å; L188-L215 HydrophobicContact CD2-CG 4.38Å; L188-L215 HydrophobicContact CG-CD1 4.38Å
189	S	62.1	Low	75.4	Confident	34 Å²	34	81.4 Å²	81.4	24%	0.238	44%	0.439	C	S	.	.			trans	-112.8	87.5	172.9	-176.3	0	0	0	0	106.8	G176 E178 M187	G176-S189 PolarHBondContact O-N 3.35Å; E178-S189 VanDerWaalsContact CD-CB 3.43Å; E178-S189 VanDerWaalsContact CD-OG 3.28Å; E178-S189 WeakPolarHBondContact OE1-CB 3.49Å; E178-S189 PolarHBondContact OE1-OG 3.48Å; M187-S189 PolarHBondContact O-N 3.11Å
190	C	66.3	Low	76.1	Confident	26 Å²	26	78.9 Å²	78.9	18%	0.176	43%	0.431	C	S	.	.			trans	-111.7	132.7	173.9	67.4	0	0	0	0	109.7	L188 P205 L215 C217	L188-C190 HydrophobicContact CD2-CB 4.24Å; L188-C190 HydrophobicContact CG-CB 4.48Å; C190-P205 HydrophobicContact CB-CG 3.72Å; C190-L215 WeakPolarHBondContact SG-CD1 3.22Å; C190-C217 HydrophobicContact CB-CB 3.74Å; C190-C217 WeakPolarHBondContact CB-SG 3.23Å; C190-C217 VanDerWaalsContact SG-CA 3.51Å; C190-C217 WeakPolarHBondContact SG-CB 3.42Å; C190-C217 CovalentContact SG-SG 2.02Å; C190-C217 PolarHBondContact SG-SG 3.24Å
191	G	59.9	Low	76.9	Confident	26 Å²	26	77.8 Å²	77.8	27%	0.268	43%	0.431	S	S	.	.	S	Bend	trans	91.7	29.4	170.7	0	0	0	0	0	117.4	Q218	G191-Q218 CarbonylContact C-O 3.53Å; G191-Q218 VanDerWaalsContact C-O 3.24Å; G191-Q218 WeakPolarHBondContact CA-O 3.37Å
192	S	60.4	Low	77.7	Confident	103 Å²	103	72.3 Å²	72.3	72%	0.72	39%	0.392	S	S	*	.			trans	-95.5	10.7	177.9	-43.1	0	0	0	0	113.8
193	G	67.1	Low	78.3	Confident	32 Å²	32	73.2 Å²	73.2	33%	0.33	40%	0.395	S	S	.	.			trans	-122.1	137.9	-169.2	0	0	0	0	0	113.8
194	V	81.4	Confident	78.8	Confident	89 Å²	89	66.8 Å²	66.8	54%	0.539	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.1	160.5	-179.6	0	0	0	0	107.1	I220	V194-I220 CarbonylContact C-O 3.55Å; V194-I220 WeakPolarHBondContact CA-O 3.49Å; V194-I220 HydrophobicContact CG1-CG2 4.48Å; V194-I220 HydrophobicContact CG2-CB 4.43Å
195	F	88.3	Confident	79.1	Confident	67 Å²	67	61.5 Å²	61.5	29%	0.294	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.9	177.5	-58.7	-90.8	0	0	0	108.5	L202 Y219 I220 I221 S222 Y302	F195-L202 HydrophobicContact CD1-CD2 3.85Å; F195-L202 HydrophobicContact CD2-CD2 4.21Å; F195-L202 HydrophobicContact CE1-CD2 3.48Å; F195-L202 VanDerWaalsContact CE1-CD2 3.48Å; F195-L202 HydrophobicContact CE2-CD2 3.9Å; F195-L202 HydrophobicContact CG-CD2 4.21Å; F195-L202 HydrophobicContact CZ-CD2 3.51Å; F195-Y219 AromaticContact CE2-CD1 3.86Å; F195-Y219 HydrophobicContact CE2-CD1 3.86Å; F195-Y219 HydrophobicContact CZ-CD1 4.14Å; F195-I220 PolarHBondContact N-O 3.3Å; F195-I221 HydrophobicContact CB-CG1 4.46Å; F195-I221 HydrophobicContact CB-CG2 4.48Å; F195-I221 CarbonylContact O-C 3.55Å; F195-I221 WeakPolarHBondContact O-CA 3.16Å; F195-S222 PolarHBondContact O-N 3.32Å; F195-Y302 HydrophobicContact CB-CE1 4.41Å
196	D	89.2	Confident	79.1	Confident	118 Å²	118	61.2 Å²	61.2	63%	0.631	35%	0.354	S	S	*	.			trans	-112	-2.4	-174.5	63.8	-17.5	0	0	0	113.8	S222	D196-S222 WeakPolarHBondContact CA-O 3.1Å
197	E	90.5	Very high	79.7	Confident	132 Å²	132	62.7 Å²	62.7	62%	0.617	36%	0.358	S	S	*	.	S	Bend	trans	-66.8	153.6	174.2	-60.7	-168.2	163.1	0	0	111.9	E199 V223 Y302	E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 3Å; E197-V223 WeakPolarHBondContact O-CG1 3.47Å; E197-Y302 VanDerWaalsContact O-CE2 3.32Å; E197-Y302 WeakPolarHBondContact O-CE2 3.36Å
198	L	89.8	Confident	80.6	Confident	90 Å²	90	61.8 Å²	61.8	47%	0.471	36%	0.36	S	S	.	.	S	Bend	trans	-72.3	-21.5	-176.2	-68.6	177.5	0	0	0	113.9	F227 T304	L198-F227 HydrophobicContact CD2-CD1 4.06Å; L198-F227 HydrophobicContact CD2-CD2 4.47Å; L198-F227 HydrophobicContact CD2-CE1 3.97Å; L198-F227 HydrophobicContact CD2-CE2 4.4Å; L198-F227 HydrophobicContact CD2-CG 4.31Å; L198-F227 HydrophobicContact CD2-CZ 4.15Å; L198-T304 WeakPolarHBondContact CB-OG1 3.47Å; L198-T304 HydrophobicContact CD2-CG2 4.37Å; L198-T304 WeakPolarHBondContact O-CB 3.22Å; L198-T304 VanDerWaalsContact O-CG2 3.25Å; L198-T304 WeakPolarHBondContact O-CG2 3.41Å; L198-T304 PolarHBondContact O-N 2.65Å; L198-T304 VanDerWaalsContact O-N 3.08Å; L198-T304 PolarHBondContact O-OG1 3.08Å
199	E	94.6	Very high	81.6	Confident	136 Å²	136	64.9 Å²	64.9	64%	0.636	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	153.7	174.5	-63	-178.1	174.4	0	0	107.8	E197 Y302	E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 3Å; E199-Y302 VanDerWaalsContact CA-O 3.25Å; E199-Y302 WeakPolarHBondContact CA-O 3.09Å
200	G	90.9	Very high	82.5	Confident	20 Å²	20	65.9 Å²	65.9	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	166.2	176.1	0	0	0	0	0	113.1	D301 Y302	G200-D301 CarbonylContact O-C 3.56Å; G200-D301 WeakPolarHBondContact O-CA 3.26Å; G200-Y302 VanDerWaalsContact CA-CE1 3.4Å; G200-Y302 PolarHBondContact N-O 3.43Å; G200-Y302 VanDerWaalsContact O-CD1 3.28Å; G200-Y302 WeakPolarHBondContact O-CD1 3.17Å; G200-Y302 PolarHBondContact O-N 2.94Å
201	H	92.1	Very high	83.2	Confident	91 Å²	91	65.1 Å²	65.1	42%	0.421	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.8	-177	-171.6	81.9	0	0	0	110.2	M203 S299 L300 D301	H201-M203 VanDerWaalsContact CD2-CE 3.42Å; H201-M203 WeakPolarHBondContact CD2-CE 3.39Å; H201-M203 WeakPolarHBondContact NE2-CE 3.11Å; H201-S299 PolarHBondContact CE1-OG 3.3Å; H201-S299 PolarHBondContact NE2-OG 3.44Å; H201-L300 PolarHBondContact ND1-O 3.31Å; H201-D301 IonicContact CE1-OD1 2.83Å; H201-D301 IonicContact CG-OD1 3.54Å; H201-D301 IonicContact ND1-OD1 3.34Å; H201-D301 PolarHBondContact ND1-OD1 2.93Å; H201-D301 IonicContact ND1-OD2 3.39Å
202	L	90.9	Very high	84	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.037	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.8	179.4	-60.8	-179	0	0	0	110.5	F195 Y219 I221 L285 W298 S299 L300 Y302	F195-L202 HydrophobicContact CD1-CD2 3.85Å; F195-L202 HydrophobicContact CD2-CD2 4.21Å; F195-L202 HydrophobicContact CE1-CD2 3.48Å; F195-L202 VanDerWaalsContact CE1-CD2 3.48Å; F195-L202 HydrophobicContact CE2-CD2 3.9Å; F195-L202 HydrophobicContact CG-CD2 4.21Å; F195-L202 HydrophobicContact CZ-CD2 3.51Å; L202-Y219 HydrophobicContact CD1-CD1 4.46Å; L202-Y219 HydrophobicContact CD2-CD1 4.36Å; L202-I221 HydrophobicContact CD1-CD1 3.75Å; L202-I221 HydrophobicContact CD1-CG1 3.95Å; L202-L285 HydrophobicContact CD1-CD1 4.15Å; L202-W298 HydrophobicContact CB-CH2 4.36Å; L202-W298 HydrophobicContact CB-CZ3 3.98Å; L202-S299 CarbonylContact O-C 3.52Å; L202-S299 WeakPolarHBondContact O-CA 3.4Å; L202-L300 HydrophobicContact CB-CD1 4.21Å; L202-L300 HydrophobicContact CB-CG 4.17Å; L202-L300 HydrophobicContact CD1-CD1 4.45Å; L202-L300 PolarHBondContact N-O 3.03Å; L202-L300 PolarHBondContact O-N 3.28Å; L202-Y302 HydrophobicContact CD1-CD1 4.28Å; L202-Y302 HydrophobicContact CD1-CE1 4.43Å; L202-Y302 HydrophobicContact CG-CD1 4.23Å; L202-Y302 HydrophobicContact CG-CE1 4.25Å
203	M	90.1	Very high	84.8	Confident	85 Å²	85	65.7 Å²	65.7	42%	0.419	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.7	175.8	64	-176.3	72.3	0	0	111.2	H201 Y207 Y219 W298	H201-M203 VanDerWaalsContact CD2-CE 3.42Å; H201-M203 WeakPolarHBondContact CD2-CE 3.39Å; H201-M203 WeakPolarHBondContact NE2-CE 3.11Å; M203-Y207 HydrophobicContact CB-CD1 4.13Å; M203-Y207 HydrophobicContact CB-CG 4.35Å; M203-Y207 HydrophobicContact SD-CD1 4.32Å; M203-Y219 PolarHBondContact O-OH 3.3Å; M203-W298 CarbonylContact C-O 3.58Å; M203-W298 VanDerWaalsContact CA-O 3.29Å; M203-W298 WeakPolarHBondContact CA-O 3.36Å
204	S	89.1	Confident	85.3	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	38%	0.381	C	S	.	.			trans	-65.1	148	171.5	55.3	0	0	0	0	111	G206 Y207 Y287 G297 W298	S204-G206 PolarHBondContact O-N 3.08Å; S204-Y207 WeakPolarHBondContact O-CB 3.11Å; S204-Y207 PolarHBondContact O-N 3.06Å; S204-Y207 VanDerWaalsContact O-N 3.14Å; S204-Y287 VanDerWaalsContact CB-CE1 3.49Å; S204-G297 WeakPolarHBondContact OG-CA 3.28Å; S204-W298 PolarHBondContact N-O 2.92Å; S204-W298 PolarHBondContact OG-N 2.79Å; S204-W298 PolarHBondContact OG-O 2.85Å
205	P	83.7	Confident	85.1	Confident	21 Å²	21	63.7 Å²	63.7	14%	0.136	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	134.5	176.4	-25.1	37.1	0	0	0	112	L188 C190 Y207 S211 L215	L188-P205 HydrophobicContact CD1-CB 4.08Å; L188-P205 HydrophobicContact CD2-CB 3.94Å; L188-P205 HydrophobicContact CD2-CG 4.03Å; C190-P205 HydrophobicContact CB-CG 3.72Å; P205-Y207 VanDerWaalsContact C-N 3.3Å; P205-Y207 PolarHBondContact O-N 2.89Å; P205-S211 WeakPolarHBondContact O-CA 3.35Å; P205-S211 WeakPolarHBondContact O-CB 3.11Å; P205-S211 PolarHBondContact O-OG 2.77Å; P205-L215 HydrophobicContact CG-CD1 4.26Å; P205-L215 HydrophobicContact CG-CD2 4.05Å
206	G	76.7	Confident	85	Confident	43 Å²	43	65 Å²	65	44%	0.443	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-12.8	-178.5	0	0	0	0	0	115.4	S204 N209	S204-G206 PolarHBondContact O-N 3.08Å; G206-N209 CarbonylContact C-O 3.45Å; G206-N209 CarbonylContact O-C 3.57Å; G206-N209 WeakPolarHBondContact O-CA 3.48Å; G206-N209 VanDerWaalsContact O-CB 3.3Å; G206-N209 WeakPolarHBondContact O-CB 3.43Å; G206-N209 PolarHBondContact O-N 3.04Å; G206-N209 VanDerWaalsContact O-O 3.1Å
207	Y	84.9	Confident	84.8	Confident	45 Å²	45	59.5 Å²	59.5	18%	0.176	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	135.7	-179.2	-175.8	-93.6	0	0	0	112	M203 S204 P205 K236 N296	M203-Y207 HydrophobicContact CB-CD1 4.13Å; M203-Y207 HydrophobicContact CB-CG 4.35Å; M203-Y207 HydrophobicContact SD-CD1 4.32Å; S204-Y207 WeakPolarHBondContact O-CB 3.11Å; S204-Y207 PolarHBondContact O-N 3.06Å; S204-Y207 VanDerWaalsContact O-N 3.14Å; P205-Y207 VanDerWaalsContact C-N 3.3Å; P205-Y207 PolarHBondContact O-N 2.89Å; Y207-K236 HydrophobicContact CE2-CB 4.46Å; Y207-K236 WeakPolarHBondContact OH-CB 3.32Å; Y207-K236 PolarHBondContact OH-O 3.47Å; Y207-N296 WeakPolarHBondContact CD2-O 3.44Å
208	P	81.3	Confident	84.7	Confident	84 Å²	84	56.9 Å²	56.9	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.4	7.3	8.9	36.7	-38	0	0	0	115.4
209	N	83.3	Confident	84.7	Confident	112 Å²	112	53.3 Å²	53.3	60%	0.599	31%	0.313	S	S	*	.	S	Bend	trans	-84.4	165.7	174.9	-59.2	-51.5	0	0	0	110.7	G206 S211	G206-N209 CarbonylContact C-O 3.45Å; G206-N209 CarbonylContact O-C 3.57Å; G206-N209 WeakPolarHBondContact O-CA 3.48Å; G206-N209 VanDerWaalsContact O-CB 3.3Å; G206-N209 WeakPolarHBondContact O-CB 3.43Å; G206-N209 PolarHBondContact O-N 3.04Å; G206-N209 VanDerWaalsContact O-O 3.1Å; N209-S211 PolarHBondContact O-N 2.61Å
210	P	82.3	Confident	84.7	Confident	56 Å²	56	49 Å²	49	36%	0.364	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-51.7	134.8	176.8	-27	34.3	0	0	0	112.9	Q294 S295	P210-Q294 HydrophobicContact CB-CG 4.04Å; P210-Q294 HydrophobicContact CG-CG 4.41Å; P210-S295 CarbonylContact C-O 3.54Å; P210-S295 VanDerWaalsContact CA-O 3.27Å; P210-S295 WeakPolarHBondContact CA-O 3.04Å
211	S	81.1	Confident	84.8	Confident	9 Å²	9	48 Å²	48	6%	0.063	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.7	148.1	177.6	-70.7	0	0	0	0	111.3	P205 N209 Y287 S295	P205-S211 WeakPolarHBondContact O-CA 3.35Å; P205-S211 WeakPolarHBondContact O-CB 3.11Å; P205-S211 PolarHBondContact O-OG 2.77Å; N209-S211 PolarHBondContact O-N 2.61Å; S211-Y287 PolarHBondContact OG-OH 3.46Å; S211-S295 PolarHBondContact N-O 2.99Å
212	P	76.8	Confident	84.9	Confident	34 Å²	34	45.6 Å²	45.6	22%	0.221	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.8	149.3	177.4	-19.8	31.8	0	0	0	113	Y177	Y177-P212 VanDerWaalsContact OH-CG 3.23Å; Y177-P212 WeakPolarHBondContact OH-CG 3.45Å
213	D	77.1	Confident	85.1	Confident	108 Å²	108	45.6 Å²	45.6	58%	0.578	28%	0.278	S	S	*	.	S	Bend	trans	-68.4	156.5	176	-54.9	-34.7	0	0	0	112
214	A	76.4	Confident	85.2	Confident	73 Å²	73	45.6 Å²	45.6	60%	0.603	28%	0.276	S	S	*	.	S	Bend	trans	55.5	56.8	-178.4	0	0	0	0	0	114.2	I289 D290 N291	A214-I289 CarbonylContact C-O 3.59Å; A214-I289 WeakPolarHBondContact CA-O 3.46Å; A214-D290 PolarHBondContact N-O 2.83Å; A214-D290 VanDerWaalsContact N-O 3.1Å; A214-N291 WeakPolarHBondContact CB-OD1 3.03Å; A214-N291 PolarHBondContact N-OD1 3.15Å
215	L	78.4	Confident	85.3	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.5	-177	-170.6	63.4	0	0	0	112.7	L188 C190 P205 C217 Y287 N288 I289	L188-L215 HydrophobicContact CD2-CD1 2.93Å; L188-L215 HydrophobicContact CD2-CG 4.38Å; L188-L215 HydrophobicContact CG-CD1 4.38Å; C190-L215 WeakPolarHBondContact SG-CD1 3.22Å; P205-L215 HydrophobicContact CG-CD1 4.26Å; P205-L215 HydrophobicContact CG-CD2 4.05Å; L215-C217 WeakPolarHBondContact CD1-SG 3.47Å; L215-C217 WeakPolarHBondContact CG-SG 3.37Å; L215-Y287 HydrophobicContact CD2-CD1 3.52Å; L215-Y287 HydrophobicContact CD2-CE1 3.38Å; L215-Y287 HydrophobicContact CG-CD1 4.47Å; L215-N288 CarbonylContact O-C 3.55Å; L215-N288 WeakPolarHBondContact O-CA 3.41Å; L215-N288 PolarHBondContact O-OD1 3.11Å; L215-I289 HydrophobicContact CB-CB 3.7Å; L215-I289 HydrophobicContact CB-CD1 4.02Å; L215-I289 HydrophobicContact CB-CG1 3.89Å; L215-I289 HydrophobicContact CD2-CD1 3.57Å; L215-I289 HydrophobicContact CD2-CG1 4Å; L215-I289 HydrophobicContact CG-CD1 4.42Å; L215-I289 HydrophobicContact CG-CG1 4.48Å; L215-I289 PolarHBondContact N-O 2.95Å; L215-I289 PolarHBondContact O-N 2.88Å
216	S	85.8	Confident	85.7	Confident	95 Å²	95	47.6 Å²	47.6	66%	0.664	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	99.2	166.8	169.8	0	0	0	0	109.8	Y287	S216-Y287 WeakPolarHBondContact CA-O 3.08Å
217	C	85.3	Confident	86.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144	179.6	-44.8	0	0	0	0	111.4	C190 L215 Y219 Y287	C190-C217 HydrophobicContact CB-CB 3.74Å; C190-C217 WeakPolarHBondContact CB-SG 3.23Å; C190-C217 VanDerWaalsContact SG-CA 3.51Å; C190-C217 WeakPolarHBondContact SG-CB 3.42Å; C190-C217 CovalentContact SG-SG 2.02Å; C190-C217 PolarHBondContact SG-SG 3.24Å; L215-C217 WeakPolarHBondContact CD1-SG 3.47Å; L215-C217 WeakPolarHBondContact CG-SG 3.37Å; C217-Y219 HydrophobicContact CB-CD2 4.38Å; C217-Y219 HydrophobicContact CB-CE2 3.56Å; C217-Y287 PolarHBondContact N-O 2.96Å; C217-Y287 PolarHBondContact O-N 2.74Å
218	Q	88.6	Confident	87	Confident	76 Å²	76	46.2 Å²	46.2	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.4	173.2	177.2	167.9	103.5	0	0	110.6	G191 I220 K284 L285 D286	G191-Q218 CarbonylContact C-O 3.53Å; G191-Q218 VanDerWaalsContact C-O 3.24Å; G191-Q218 WeakPolarHBondContact CA-O 3.37Å; Q218-I220 HydrophobicContact CG-CD1 4.43Å; Q218-I220 HydrophobicContact CG-CG1 4.07Å; Q218-K284 VanDerWaalsContact CD-CE 3.47Å; Q218-K284 HydrophobicContact CG-CD 4.4Å; Q218-K284 HydrophobicContact CG-CG 4.26Å; Q218-L285 CarbonylContact C-O 3.44Å; Q218-L285 WeakPolarHBondContact CA-O 3.47Å; Q218-D286 WeakPolarHBondContact CG-OD1 3.4Å; Q218-D286 PolarHBondContact NE2-OD1 3.29Å
219	Y	90.5	Very high	87.6	Confident	16 Å²	16	42.2 Å²	42.2	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.6	175.1	-50.2	-99.7	0	0	0	108.8	F195 L202 M203 C217 K284 L285 W298	F195-Y219 AromaticContact CE2-CD1 3.86Å; F195-Y219 HydrophobicContact CE2-CD1 3.86Å; F195-Y219 HydrophobicContact CZ-CD1 4.14Å; L202-Y219 HydrophobicContact CD1-CD1 4.46Å; L202-Y219 HydrophobicContact CD2-CD1 4.36Å; M203-Y219 PolarHBondContact O-OH 3.3Å; C217-Y219 HydrophobicContact CB-CD2 4.38Å; C217-Y219 HydrophobicContact CB-CE2 3.56Å; Y219-K284 CarbonylContact O-C 3.57Å; Y219-K284 WeakPolarHBondContact O-CA 3.45Å; Y219-L285 HydrophobicContact CD2-CB 4.26Å; Y219-L285 PolarHBondContact N-O 3.21Å; Y219-L285 PolarHBondContact O-N 3.19Å; Y219-W298 HydrophobicContact CD2-CH2 4.01Å; Y219-W298 HydrophobicContact CD2-CZ2 4.08Å; Y219-W298 AromaticContact CE2-CH2 3.88Å; Y219-W298 HydrophobicContact CE2-CH2 3.88Å; Y219-W298 AromaticContact CE2-CZ2 3.66Å; Y219-W298 HydrophobicContact CE2-CZ2 3.66Å
220	I	92.8	Very high	88.3	Confident	45 Å²	45	37.1 Å²	37.1	23%	0.231	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.4	178	-56.5	176.5	0	0	0	107.7	V194 F195 Q218 I282 K284	V194-I220 CarbonylContact C-O 3.55Å; V194-I220 WeakPolarHBondContact CA-O 3.49Å; V194-I220 HydrophobicContact CG1-CG2 4.48Å; V194-I220 HydrophobicContact CG2-CB 4.43Å; F195-I220 PolarHBondContact N-O 3.3Å; Q218-I220 HydrophobicContact CG-CD1 4.43Å; Q218-I220 HydrophobicContact CG-CG1 4.07Å; I220-I282 HydrophobicContact CG2-CD1 4.23Å; I220-I282 HydrophobicContact CG2-CG1 4.33Å; I220-K284 HydrophobicContact CG1-CG 4.29Å
221	I	94.5	Very high	89	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.6	172.2	-47.9	169.8	0	0	0	106.4	F195 L202 L229 L231 I282 V283 L285 Y302	F195-I221 HydrophobicContact CB-CG1 4.46Å; F195-I221 HydrophobicContact CB-CG2 4.48Å; F195-I221 CarbonylContact O-C 3.55Å; F195-I221 WeakPolarHBondContact O-CA 3.16Å; L202-I221 HydrophobicContact CD1-CD1 3.75Å; L202-I221 HydrophobicContact CD1-CG1 3.95Å; I221-L229 HydrophobicContact CB-CD1 4.05Å; I221-L229 HydrophobicContact CG2-CD1 3.71Å; I221-L229 HydrophobicContact CG2-CD2 3.69Å; I221-L229 HydrophobicContact CG2-CG 4.37Å; I221-L231 HydrophobicContact CD1-CD2 3.78Å; I221-I282 CarbonylContact O-C 3.53Å; I221-I282 VanDerWaalsContact O-CA 3.27Å; I221-I282 WeakPolarHBondContact O-CA 3.3Å; I221-V283 PolarHBondContact N-O 3.38Å; I221-V283 PolarHBondContact O-N 2.68Å; I221-L285 HydrophobicContact CD1-CD1 4.43Å; I221-Y302 HydrophobicContact CD1-CD1 3.74Å; I221-Y302 HydrophobicContact CD1-CE1 4.33Å; I221-Y302 HydrophobicContact CD1-CG 3.89Å; I221-Y302 HydrophobicContact CG1-CD1 4.37Å; I221-Y302 HydrophobicContact CG1-CE1 4.48Å; I221-Y302 HydrophobicContact CG2-CD1 4.39Å; I221-Y302 HydrophobicContact CG2-CD2 3.79Å; I221-Y302 HydrophobicContact CG2-CE1 4.3Å; I221-Y302 HydrophobicContact CG2-CE2 3.71Å; I221-Y302 HydrophobicContact CG2-CG 4.15Å
222	S	94.5	Very high	89.7	Confident	39 Å²	39	37.7 Å²	37.7	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	102.2	-174.2	176.9	0	0	0	0	110.3	F195 D196	F195-S222 PolarHBondContact O-N 3.32Å; D196-S222 WeakPolarHBondContact CA-O 3.1Å
223	V	93.8	Very high	90.6	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-102.7	167	178.9	-61.6	0	0	0	0	111.4	E197 F227 L229 N281 T304	E197-V223 WeakPolarHBondContact O-CG1 3.47Å; V223-F227 HydrophobicContact CG2-CB 3.8Å; V223-L229 HydrophobicContact CG1-CD2 4.11Å; V223-L229 HydrophobicContact CG2-CD1 4.33Å; V223-L229 HydrophobicContact CG2-CD2 4.15Å; V223-L229 HydrophobicContact CG2-CG 4.03Å; V223-N281 HydrophobicContact CG2-CB 4.1Å; V223-N281 WeakPolarHBondContact CG2-O 3.25Å; V223-N281 PolarHBondContact N-O 3.21Å; V223-N281 PolarHBondContact O-ND2 2.75Å; V223-T304 HydrophobicContact CB-CG2 4.23Å; V223-T304 HydrophobicContact CG1-CG2 3.83Å; V223-T304 HydrophobicContact CG2-CG2 3.87Å
224	E	93.2	Very high	91.4	Very high	85 Å²	85	32.8 Å²	32.8	40%	0.397	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-54.3	142	-180	-166.5	-168	143.9	0	0	111.5	G226 F227 Y329 R330	E224-G226 PolarHBondContact O-N 3.03Å; E224-F227 HydrophobicContact CB-CD2 4.09Å; E224-F227 HydrophobicContact CB-CE2 4.35Å; E224-F227 PolarHBondContact O-N 3.18Å; E224-F227 VanDerWaalsContact O-N 3.16Å; E224-Y329 PolarHBondContact OE1-OH 2.83Å; E224-R330 IonicContact OE1-CZ 3.63Å; E224-R330 IonicContact OE1-NE 2.87Å; E224-R330 IonicContact OE1-NH2 3.51Å; E224-R330 PolarHBondContact OE1-NH2 2.86Å; E224-R330 IonicContact OE2-CZ 2.69Å; E224-R330 IonicContact OE2-NH1 2.72Å; E224-R330 IonicContact OE2-NH2 3.5Å; E224-R330 PolarHBondContact OE2-NH2 2.85Å
225	S	90.9	Very high	92.2	Very high	60 Å²	60	36.7 Å²	36.7	42%	0.42	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	127.2	171.8	60.6	0	0	0	0	110.6	Y329 S359	S225-Y329 WeakPolarHBondContact O-CE1 3.5Å; S225-S359 VanDerWaalsContact C-CB 3.43Å; S225-S359 WeakPolarHBondContact O-CB 3.35Å
226	G	91.6	Very high	92.7	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	-3.5	-174.2	0	0	0	0	0	113.7	E224 V307 Y329	E224-G226 PolarHBondContact O-N 3.03Å; G226-V307 WeakPolarHBondContact O-CG2 3.44Å; G226-V307 PolarHBondContact O-N 3.13Å; G226-Y329 WeakPolarHBondContact O-CB 3.5Å
227	F	94.3	Very high	93.1	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.127	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	152.9	161.5	-65	-89.6	0	0	0	110.6	L198 V223 E224 N281 T304 H305 R306 Y329	L198-F227 HydrophobicContact CD2-CD1 4.06Å; L198-F227 HydrophobicContact CD2-CD2 4.47Å; L198-F227 HydrophobicContact CD2-CE1 3.97Å; L198-F227 HydrophobicContact CD2-CE2 4.4Å; L198-F227 HydrophobicContact CD2-CG 4.31Å; L198-F227 HydrophobicContact CD2-CZ 4.15Å; V223-F227 HydrophobicContact CG2-CB 3.8Å; E224-F227 HydrophobicContact CB-CD2 4.09Å; E224-F227 HydrophobicContact CB-CE2 4.35Å; E224-F227 PolarHBondContact O-N 3.18Å; E224-F227 VanDerWaalsContact O-N 3.16Å; F227-N281 WeakPolarHBondContact O-CA 3.4Å; F227-N281 WeakPolarHBondContact O-CB 3.37Å; F227-T304 HydrophobicContact CB-CG2 4.3Å; F227-H305 CarbonylContact C-O 3.52Å; F227-H305 WeakPolarHBondContact CA-O 3.34Å; F227-R306 HydrophobicContact CD1-CG 3.97Å; F227-R306 HydrophobicContact CE1-CG 3.53Å; F227-R306 HydrophobicContact CZ-CG 4.22Å; F227-Y329 HydrophobicContact CE2-CD1 4.24Å; F227-Y329 HydrophobicContact CE2-CE1 4.21Å
228	T	94.4	Very high	93.5	Very high	30 Å²	30	42.4 Å²	42.4	18%	0.184	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.3	174.7	54.4	0	0	0	0	109.2	S280 T304 H305 V307	T228-S280 CarbonylContact C-O 3.48Å; T228-S280 WeakPolarHBondContact CA-O 3.23Å; T228-T304 CarbonylContact O-C 3.57Å; T228-T304 VanDerWaalsContact O-CA 3.29Å; T228-T304 WeakPolarHBondContact O-CA 3.31Å; T228-H305 PolarHBondContact N-O 3.12Å; T228-H305 PolarHBondContact O-N 2.85Å; T228-H305 PolarHBondContact OG1-O 3.05Å; T228-H305 VanDerWaalsContact OG1-O 3.07Å; T228-V307 HydrophobicContact CG2-CG2 3.82Å
229	L	95.3	Very high	93.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.9	-175.6	-70.8	161.7	0	0	0	111.7	I221 V223 T278 S280 V283 Y302 S303 T304	I221-L229 HydrophobicContact CB-CD1 4.05Å; I221-L229 HydrophobicContact CG2-CD1 3.71Å; I221-L229 HydrophobicContact CG2-CD2 3.69Å; I221-L229 HydrophobicContact CG2-CG 4.37Å; V223-L229 HydrophobicContact CG1-CD2 4.11Å; V223-L229 HydrophobicContact CG2-CD1 4.33Å; V223-L229 HydrophobicContact CG2-CD2 4.15Å; V223-L229 HydrophobicContact CG2-CG 4.03Å; L229-T278 HydrophobicContact CB-CG2 4.35Å; L229-T278 VanDerWaalsContact O-CB 3.28Å; L229-T278 WeakPolarHBondContact O-CB 3.32Å; L229-T278 VanDerWaalsContact O-CG2 3.3Å; L229-T278 WeakPolarHBondContact O-CG2 3.46Å; L229-T278 PolarHBondContact O-N 2.89Å; L229-T278 PolarHBondContact O-OG1 2.82Å; L229-S280 PolarHBondContact N-O 2.89Å; L229-V283 HydrophobicContact CB-CG2 4.16Å; L229-V283 HydrophobicContact CD1-CB 4.34Å; L229-V283 HydrophobicContact CD1-CG2 3.85Å; L229-Y302 HydrophobicContact CD2-CD2 3.88Å; L229-Y302 HydrophobicContact CD2-CE2 4.48Å; L229-S303 WeakPolarHBondContact CA-O 3.45Å; L229-T304 HydrophobicContact CD2-CG2 3.59Å; L229-T304 HydrophobicContact CG-CG2 4.43Å
230	S	96.3	Very high	93.7	Very high	4 Å²	4	41 Å²	41	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.7	168.1	-63.4	0	0	0	0	108.1	I276 N277 Y302 S303 H305	S230-I276 WeakPolarHBondContact CA-O 3.37Å; S230-N277 PolarHBondContact OG-OD1 2.77Å; S230-Y302 VanDerWaalsContact O-CA 3.31Å; S230-Y302 WeakPolarHBondContact O-CA 3.18Å; S230-S303 PolarHBondContact N-O 3.13Å; S230-S303 PolarHBondContact O-N 2.95Å; S230-H305 PolarHBondContact OG-CD2 3.07Å; S230-H305 PolarHBondContact OG-NE2 2.76Å; S230-H305 VanDerWaalsContact OG-NE2 3.12Å
231	L	96.6	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.5	176.2	-50.3	-179.7	0	0	0	109.3	I221 F233 V257 L275 I276 T278 V283 L285 L300	I221-L231 HydrophobicContact CD1-CD2 3.78Å; L231-F233 HydrophobicContact CB-CD2 4.42Å; L231-F233 HydrophobicContact CB-CE2 4.04Å; L231-F233 HydrophobicContact CD1-CE2 4.13Å; L231-V257 HydrophobicContact CD1-CG1 4.06Å; L231-L275 CarbonylContact O-C 3.52Å; L231-L275 WeakPolarHBondContact O-CA 3.42Å; L231-I276 HydrophobicContact CB-CB 4.35Å; L231-I276 PolarHBondContact N-O 3.22Å; L231-I276 PolarHBondContact O-N 3.15Å; L231-T278 HydrophobicContact CD1-CG2 4.47Å; L231-T278 HydrophobicContact CG-CG2 4.06Å; L231-V283 HydrophobicContact CD1-CG1 4.11Å; L231-L285 HydrophobicContact CD1-CD2 4.08Å; L231-L300 HydrophobicContact CD2-CD1 4.32Å
232	N	97	Very high	93.1	Very high	78 Å²	78	43.7 Å²	43.7	42%	0.417	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	100.7	177.6	-173.1	20.2	0	0	0	109.8	L275 L300 D301	N232-L275 HydrophobicContact CB-CD1 4.07Å; N232-L300 CarbonylContact O-C 3.53Å; N232-L300 WeakPolarHBondContact O-CA 3.42Å; N232-L300 WeakPolarHBondContact O-CB 3.48Å; N232-D301 WeakPolarHBondContact CB-O 3.27Å; N232-D301 PolarHBondContact N-O 2.81Å; N232-D301 PolarHBondContact O-N 3.36Å
233	F	96.5	Very high	92.4	Very high	4 Å²	4	48 Å²	48	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.6	178.7	-75.1	-98.9	0	0	0	111.2	L231 F237 L255 V257 L267 S272 P273 G274 I276 W298 L300	L231-F233 HydrophobicContact CB-CD2 4.42Å; L231-F233 HydrophobicContact CB-CE2 4.04Å; L231-F233 HydrophobicContact CD1-CE2 4.13Å; F233-F237 HydrophobicContact CD1-CD2 4.15Å; F233-F237 HydrophobicContact CD1-CE2 4.17Å; F233-F237 HydrophobicContact CE1-CE2 4.29Å; F233-L255 HydrophobicContact CE1-CD2 3.52Å; F233-L255 HydrophobicContact CZ-CD2 3.86Å; F233-V257 HydrophobicContact CZ-CG2 4.44Å; F233-L267 HydrophobicContact CZ-CD1 4.29Å; F233-S272 WeakPolarHBondContact CB-OG 3.28Å; F233-S272 PolarHBondContact O-OG 3.12Å; F233-P273 HydrophobicContact CB-CG 3.8Å; F233-P273 HydrophobicContact CD1-CG 4Å; F233-P273 HydrophobicContact CD2-CG 3.46Å; F233-P273 VanDerWaalsContact CD2-CG 3.46Å; F233-P273 HydrophobicContact CE1-CG 4.45Å; F233-P273 HydrophobicContact CE2-CG 3.97Å; F233-P273 HydrophobicContact CG-CG 3.47Å; F233-P273 VanDerWaalsContact CG-CG 3.47Å; F233-P273 HydrophobicContact CZ-CG 4.42Å; F233-G274 PolarHBondContact N-O 2.85Å; F233-I276 HydrophobicContact CD2-CD1 4.24Å; F233-I276 HydrophobicContact CE2-CD1 3.84Å; F233-W298 HydrophobicContact CE1-CE3 4.28Å; F233-L300 HydrophobicContact CD1-CB 3.97Å; F233-L300 HydrophobicContact CD1-CD2 4.13Å; F233-L300 HydrophobicContact CD2-CB 4.36Å; F233-L300 HydrophobicContact CE1-CB 4.24Å; F233-L300 HydrophobicContact CE1-CD2 3.52Å; F233-L300 HydrophobicContact CE2-CD2 3.97Å; F233-L300 HydrophobicContact CG-CB 4.05Å; F233-L300 HydrophobicContact CZ-CD2 3.44Å; F233-L300 VanDerWaalsContact CZ-CD2 3.44Å
234	S	93.8	Very high	91.7	Very high	35 Å²	35	50.5 Å²	50.5	25%	0.245	27%	0.271	C	S	.	.			trans	-63.9	156.4	174	66.9	0	0	0	0	111.8	K236 S272 S299	S234-K236 PolarHBondContact O-N 3.36Å; S234-K236 PolarHBondContact OG-O 2.82Å; S234-S272 VanDerWaalsContact O-CB 3.24Å; S234-S272 WeakPolarHBondContact O-CB 3.49Å; S234-S272 PolarHBondContact O-OG 2.67Å; S234-S299 WeakPolarHBondContact CB-O 3.28Å; S234-S299 PolarHBondContact N-O 3.08Å; S234-S299 PolarHBondContact OG-O 3.21Å
235	D	91.2	Very high	90.8	Very high	155 Å²	155	56.5 Å²	56.5	83%	0.829	30%	0.299	S	S	*	.	S	Bend	trans	-63.9	-23.7	179.3	-65.4	-35.3	0	0	0	112.9	F237	D235-F237 PolarHBondContact O-N 2.93Å
236	K	90.2	Very high	89.9	Confident	149 Å²	149	63 Å²	63	65%	0.648	32%	0.323	S	S	*	.			trans	-85.5	90.7	177.4	-73.8	-177.1	-176.8	-178.2	0	109.5	Y207 S234	Y207-K236 HydrophobicContact CE2-CB 4.46Å; Y207-K236 WeakPolarHBondContact OH-CB 3.32Å; Y207-K236 PolarHBondContact OH-O 3.47Å; S234-K236 PolarHBondContact O-N 3.36Å; S234-K236 PolarHBondContact OG-O 2.82Å
237	F	93.7	Very high	89.1	Confident	11 Å²	11	64.5 Å²	64.5	5%	0.048	34%	0.339	C	S	.	.			trans	-132	125.2	-179.1	-176.9	-86.9	0	0	0	110.1	F233 D235 I239 L255 L267 G269 G270 T271 W298	F233-F237 HydrophobicContact CD1-CD2 4.15Å; F233-F237 HydrophobicContact CD1-CE2 4.17Å; F233-F237 HydrophobicContact CE1-CE2 4.29Å; D235-F237 PolarHBondContact O-N 2.93Å; F237-I239 HydrophobicContact CE1-CD1 4.21Å; F237-I239 HydrophobicContact CE1-CG1 4.26Å; F237-I239 HydrophobicContact CE2-CD1 4.02Å; F237-I239 HydrophobicContact CZ-CD1 3.52Å; F237-I239 HydrophobicContact CZ-CG1 4.01Å; F237-L255 HydrophobicContact CE2-CD2 4.36Å; F237-L267 HydrophobicContact CZ-CB 4.03Å; F237-G269 WeakPolarHBondContact CD1-O 3.45Å; F237-G270 CarbonylContact O-C 3.49Å; F237-G270 WeakPolarHBondContact O-CA 3.32Å; F237-T271 WeakPolarHBondContact CD1-O 3.09Å; F237-W298 HydrophobicContact CD2-CB 3.55Å; F237-W298 HydrophobicContact CE2-CB 3.69Å; F237-W298 HydrophobicContact CE2-CG 4.4Å
238	H	93.3	Very high	88.5	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.292	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-152.2	115.5	173.2	-174.6	-90	0	0	0	112.1	G269 Q294 N296 G297	H238-G269 WeakPolarHBondContact CA-O 3.47Å; H238-Q294 PolarHBondContact CE1-O 3.21Å; H238-Q294 VanDerWaalsContact CE1-O 3.31Å; H238-Q294 PolarHBondContact ND1-O 2.9Å; H238-N296 HydrophobicContact CB-CB 3.97Å; H238-N296 PolarHBondContact O-N 3.45Å; H238-N296 VanDerWaalsContact O-N 3.1Å; H238-G297 PolarHBondContact N-O 2.9Å; H238-G297 PolarHBondContact O-N 2.8Å
239	I	92.3	Very high	88	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-126.8	133.7	171.6	-60.1	175.8	0	0	0	107.5	F237 S241 H253 L255 C268 G269 Y287 S295	F237-I239 HydrophobicContact CE1-CD1 4.21Å; F237-I239 HydrophobicContact CE1-CG1 4.26Å; F237-I239 HydrophobicContact CE2-CD1 4.02Å; F237-I239 HydrophobicContact CZ-CD1 3.52Å; F237-I239 HydrophobicContact CZ-CG1 4.01Å; I239-S241 PolarHBondContact O-N 3.47Å; I239-H253 HydrophobicContact CG2-CB 3.66Å; I239-L255 HydrophobicContact CD1-CB 3.51Å; I239-C268 HydrophobicContact CB-CB 4.22Å; I239-C268 HydrophobicContact CG2-CB 3.92Å; I239-G269 PolarHBondContact N-O 3.09Å; I239-G269 WeakPolarHBondContact O-CA 3.47Å; I239-G269 PolarHBondContact O-N 2.65Å; I239-Y287 HydrophobicContact CD1-CD2 4.4Å; I239-Y287 HydrophobicContact CD1-CE2 3.86Å; I239-Y287 HydrophobicContact CG1-CE2 4.16Å; I239-S295 WeakPolarHBondContact CA-OG 3.32Å
240	E	90.9	Very high	87.6	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	37%	0.372	S	S	.	.			trans	-49.8	133.9	-179.1	-171	75.1	-174.8	0	0	111.9	H253 Q294 S295	E240-H253 HydrophobicContact CB-CB 3.98Å; E240-H253 WeakPolarHBondContact CB-ND1 3.39Å; E240-Q294 PolarHBondContact OE2-N 2.84Å; E240-Q294 VanDerWaalsContact OE2-N 3.09Å; E240-Q294 VanDerWaalsContact OE2-O 3.1Å; E240-S295 PolarHBondContact N-OG 2.97Å
241	S	89.6	Confident	87	Confident	34 Å²	34	73.2 Å²	73.2	24%	0.238	39%	0.388	C	S	.	.			trans	-144.4	156.5	179.8	61.8	0	0	0	0	111.5	I239 N249 C268 G269	I239-S241 PolarHBondContact O-N 3.47Å; S241-N249 WeakPolarHBondContact CA-O 3.34Å; S241-C268 VanDerWaalsContact CB-SG 3.53Å; S241-G269 WeakPolarHBondContact OG-CA 3.23Å
242	V	86.3	Confident	86.4	Confident	68 Å²	68	76.6 Å²	76.6	41%	0.412	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.2	171.1	-178.4	0	0	0	0	108.6	T244 N249 P251	V242-T244 HydrophobicContact CG1-CG2 4.39Å; V242-T244 PolarHBondContact O-N 2.95Å; V242-N249 PolarHBondContact N-O 3.23Å; V242-N249 PolarHBondContact O-N 2.81Å; V242-P251 HydrophobicContact CB-CG 4.45Å; V242-P251 HydrophobicContact CG2-CG 3.83Å
243	D	80.3	Confident	86.1	Confident	129 Å²	129	72.9 Å²	72.9	69%	0.69	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.2	173.9	-69	-31.3	0	0	0	109.9
244	T	78.5	Confident	85.9	Confident	60 Å²	60	75.6 Å²	75.6	37%	0.368	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	163.5	176	69.5	0	0	0	0	110.7	V242 E246 G247 N249	V242-T244 HydrophobicContact CG1-CG2 4.39Å; V242-T244 PolarHBondContact O-N 2.95Å; T244-E246 PolarHBondContact O-N 2.78Å; T244-E246 VanDerWaalsContact O-N 3.09Å; T244-G247 PolarHBondContact N-O 3.27Å; T244-G247 PolarHBondContact O-N 2.96Å; T244-G247 PolarHBondContact OG1-O 3.36Å; T244-N249 HydrophobicContact CG2-CB 3.98Å
245	E	73.8	Confident	86	Confident	210 Å²	210	73.9 Å²	73.9	98%	0.981	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.4	176.8	-63.7	-174.7	177.2	0	0	113.2
246	E	71.5	Confident	86.1	Confident	197 Å²	197	68.9 Å²	68.9	92%	0.921	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.9	177.5	-62.5	-176.6	172.9	0	0	113.6	T244	T244-E246 PolarHBondContact O-N 2.78Å; T244-E246 VanDerWaalsContact O-N 3.09Å
247	G	76.4	Confident	86.4	Confident	36 Å²	36	61.8 Å²	61.8	37%	0.371	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125	-172.2	-178.9	0	0	0	0	0	114.2	T244 N249	T244-G247 PolarHBondContact N-O 3.27Å; T244-G247 PolarHBondContact O-N 2.96Å; T244-G247 PolarHBondContact OG1-O 3.36Å; G247-N249 PolarHBondContact O-N 2.83Å
248	L	79.9	Confident	86.5	Confident	105 Å²	105	63.4 Å²	63.4	55%	0.55	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.3	174.2	-90.4	92.7	0	0	0	110.5
249	N	84.2	Confident	86.6	Confident	77 Å²	77	60.6 Å²	60.6	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.3	174.1	-172	18.9	0	0	0	110.9	S241 V242 T244 G247 P251	S241-N249 WeakPolarHBondContact CA-O 3.34Å; V242-N249 PolarHBondContact N-O 3.23Å; V242-N249 PolarHBondContact O-N 2.81Å; T244-N249 HydrophobicContact CG2-CB 3.98Å; G247-N249 PolarHBondContact O-N 2.83Å; N249-P251 WeakPolarHBondContact O-CD 3.32Å
250	C	87.9	Confident	86.6	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.061	34%	0.343	C	S	.	.			trans	-115.9	70.2	-177.8	-38.2	0	0	0	0	109.9	H253 W254 K266 C268	C250-H253 WeakPolarHBondContact CB-O 3.48Å; C250-W254 HydrophobicContact CB-CB 4.04Å; C250-K266 HydrophobicContact CB-CD 4.13Å; C250-K266 HydrophobicContact CB-CG 4.35Å; C250-K266 PolarHBondContact O-NZ 3.37Å; C250-C268 VanDerWaalsContact CA-SG 3.5Å; C250-C268 HydrophobicContact CB-CB 3.64Å; C250-C268 WeakPolarHBondContact CB-SG 3.45Å; C250-C268 WeakPolarHBondContact SG-CB 3.39Å; C250-C268 CovalentContact SG-SG 2.02Å; C250-C268 PolarHBondContact SG-SG 3.2Å
251	P	82.7	Confident	86.5	Confident	56 Å²	56	65.8 Å²	65.8	36%	0.364	37%	0.374	S	S	.	.	S	Bend	trans	-74.4	-34.4	-173.7	28	-33.8	0	0	0	113.2	V242 N249	V242-P251 HydrophobicContact CB-CG 4.45Å; V242-P251 HydrophobicContact CG2-CG 3.83Å; N249-P251 WeakPolarHBondContact O-CD 3.32Å
252	H	84.2	Confident	86.7	Confident	70 Å²	70	69.7 Å²	69.7	32%	0.324	38%	0.384	S	S	.	.	S	Bend	trans	-107.4	-53	-171.6	-66.8	-60.9	0	0	0	112.1	W254 D290 Q292	H252-W254 WeakPolarHBondContact O-CZ3 3.47Å; H252-D290 WeakPolarHBondContact CB-OD1 3.14Å; H252-D290 WeakPolarHBondContact CB-OD2 2.92Å; H252-D290 IonicContact CE1-OD2 2.81Å; H252-D290 IonicContact CG-OD1 3.26Å; H252-D290 IonicContact CG-OD2 3.36Å; H252-D290 IonicContact ND1-OD1 3.93Å; H252-D290 IonicContact ND1-OD2 2.8Å; H252-D290 PolarHBondContact ND1-OD2 3.18Å; H252-Q292 WeakPolarHBondContact CB-O 3.38Å
253	H	91.1	Very high	87	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.402	C	S	.	.			trans	-117.3	142.5	-177	-53.4	168.8	0	0	0	111.1	I239 E240 C250 N288 I289 D290 Q292 S295	I239-H253 HydrophobicContact CG2-CB 3.66Å; E240-H253 HydrophobicContact CB-CB 3.98Å; E240-H253 WeakPolarHBondContact CB-ND1 3.39Å; C250-H253 WeakPolarHBondContact CB-O 3.48Å; H253-N288 CarbonylContact C-O 3.49Å; H253-N288 VanDerWaalsContact CA-O 3.31Å; H253-N288 WeakPolarHBondContact CA-O 3.27Å; H253-I289 VanDerWaalsContact CD2-CG2 3.42Å; H253-I289 WeakPolarHBondContact CD2-CG2 3.26Å; H253-I289 VanDerWaalsContact CE1-CG2 3.43Å; H253-I289 WeakPolarHBondContact CE1-CG2 3.36Å; H253-I289 WeakPolarHBondContact NE2-CG2 3.12Å; H253-D290 PolarHBondContact CD2-N 3.44Å; H253-D290 IonicContact CD2-OD1 3.51Å; H253-D290 IonicContact NE2-OD1 3.17Å; H253-D290 PolarHBondContact NE2-OD1 3.25Å; H253-Q292 PolarHBondContact CE1-O 2.95Å; H253-Q292 PolarHBondContact NE2-O 3.12Å; H253-S295 PolarHBondContact ND1-OG 2.9Å
254	W	93.1	Very high	87.6	Confident	61 Å²	61	70.8 Å²	70.8	23%	0.231	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	154.9	175.2	63.9	89.5	0	0	0	113.6	C250 H252 K266 Y287 N288	C250-W254 HydrophobicContact CB-CB 4.04Å; H252-W254 WeakPolarHBondContact O-CZ3 3.47Å; W254-K266 HydrophobicContact CB-CD 4.17Å; W254-K266 HydrophobicContact CB-CG 3.74Å; W254-K266 HydrophobicContact CG-CD 4.26Å; W254-K266 HydrophobicContact CG-CG 4.1Å; W254-Y287 WeakPolarHBondContact O-CA 3.44Å; W254-Y287 VanDerWaalsContact O-CD2 3.27Å; W254-Y287 WeakPolarHBondContact O-CD2 3.45Å; W254-N288 HydrophobicContact CD2-CB 3.95Å; W254-N288 HydrophobicContact CE3-CB 4.38Å; W254-N288 HydrophobicContact CH2-CB 4.11Å; W254-N288 WeakPolarHBondContact CH2-ND2 3.35Å; W254-N288 HydrophobicContact CZ2-CB 3.61Å; W254-N288 VanDerWaalsContact CZ2-ND2 3.28Å; W254-N288 WeakPolarHBondContact CZ2-ND2 3.43Å; W254-N288 HydrophobicContact CZ3-CB 4.45Å; W254-N288 WeakPolarHBondContact CZ3-ND2 3.03Å; W254-N288 PolarHBondContact N-O 3.02Å; W254-N288 PolarHBondContact O-N 2.81Å
255	L	93.9	Very high	88.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.3	160.9	175.1	66.6	0	0	0	108.6	F233 F237 I239 L267 L285 D286 Y287 W298	F233-L255 HydrophobicContact CE1-CD2 3.52Å; F233-L255 HydrophobicContact CZ-CD2 3.86Å; F237-L255 HydrophobicContact CE2-CD2 4.36Å; I239-L255 HydrophobicContact CD1-CB 3.51Å; L255-L267 HydrophobicContact CB-CB 4.37Å; L255-L267 HydrophobicContact CD2-CD1 4.29Å; L255-L267 PolarHBondContact N-O 3.47Å; L255-L267 WeakPolarHBondContact O-CA 3.41Å; L255-L267 WeakPolarHBondContact O-CB 3.23Å; L255-L267 PolarHBondContact O-N 3.15Å; L255-L285 HydrophobicContact CD1-CB 4.12Å; L255-D286 CarbonylContact C-O 3.3Å; L255-Y287 HydrophobicContact CB-CD2 4.01Å; L255-Y287 HydrophobicContact CD1-CD2 4.23Å; L255-Y287 HydrophobicContact CD1-CG 4.42Å; L255-W298 HydrophobicContact CD1-CZ2 3.78Å; L255-W298 HydrophobicContact CD2-CD2 3.87Å; L255-W298 HydrophobicContact CD2-CE3 4.44Å; L255-W298 HydrophobicContact CD2-CG 3.99Å; L255-W298 HydrophobicContact CD2-CZ2 4.42Å
256	E	94.6	Very high	89.2	Confident	50 Å²	50	65.4 Å²	65.4	23%	0.234	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.6	177.8	-168.6	168.3	-114.9	0	0	110.8	I258 P264 M265 L285 D286	E256-I258 HydrophobicContact CG-CD1 4.48Å; E256-I258 HydrophobicContact CG-CG1 3.99Å; E256-P264 HydrophobicContact CG-CB 3.78Å; E256-M265 CarbonylContact C-O 3.5Å; E256-M265 WeakPolarHBondContact CA-O 3.5Å; E256-L285 CarbonylContact O-C 3.46Å; E256-L285 WeakPolarHBondContact O-CA 3.39Å; E256-D286 HydrophobicContact CB-CB 4.35Å; E256-D286 PolarHBondContact N-O 3.4Å; E256-D286 PolarHBondContact O-N 3.17Å
257	V	95.8	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.4	175.6	-173.5	0	0	0	0	108.8	L231 F233 I259 M265 L267 V283 L285	L231-V257 HydrophobicContact CD1-CG1 4.06Å; F233-V257 HydrophobicContact CZ-CG2 4.44Å; V257-I259 HydrophobicContact CG1-CD1 4.33Å; V257-I259 HydrophobicContact CG1-CG1 4.21Å; V257-M265 HydrophobicContact CB-CB 4.31Å; V257-M265 HydrophobicContact CB-CE 3.97Å; V257-M265 HydrophobicContact CG1-CE 3.85Å; V257-M265 PolarHBondContact N-O 2.93Å; V257-M265 PolarHBondContact O-N 3.19Å; V257-L267 HydrophobicContact CG2-CD1 3.64Å; V257-L267 HydrophobicContact CG2-CG 4.34Å; V257-V283 HydrophobicContact CG1-CG1 3.96Å; V257-L285 HydrophobicContact CB-CD2 4.13Å; V257-L285 HydrophobicContact CG1-CD2 3.87Å; V257-L285 HydrophobicContact CG2-CD2 3.79Å
258	I	96	Very high	90.9	Very high	44 Å²	44	56.6 Å²	56.6	23%	0.226	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.4	-176.1	-56.1	167.5	0	0	0	108.4	E256 P264 K284 D286	E256-I258 HydrophobicContact CG-CD1 4.48Å; E256-I258 HydrophobicContact CG-CG1 3.99Å; I258-P264 HydrophobicContact CG1-CB 4.27Å; I258-K284 HydrophobicContact CB-CB 4.18Å; I258-K284 HydrophobicContact CD1-CD 4.2Å; I258-K284 HydrophobicContact CD1-CG 4.42Å; I258-K284 PolarHBondContact N-O 3.14Å; I258-K284 PolarHBondContact O-N 3Å; I258-D286 HydrophobicContact CD1-CB 4.49Å; I258-D286 WeakPolarHBondContact CD1-OD2 3.25Å
259	I	95.6	Very high	91.4	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.288	C	S	.	.			trans	-115.9	127.1	177.3	-57.3	166.7	0	0	0	107.4	V257 G261 R262 M265 T278 V283	V257-I259 HydrophobicContact CG1-CD1 4.33Å; V257-I259 HydrophobicContact CG1-CG1 4.21Å; I259-G261 PolarHBondContact O-N 2.99Å; I259-R262 HydrophobicContact CB-CB 4.4Å; I259-R262 PolarHBondContact O-N 3.19Å; I259-R262 VanDerWaalsContact O-N 3.12Å; I259-M265 HydrophobicContact CD1-CE 3.8Å; I259-T278 HydrophobicContact CD1-CG2 3.96Å; I259-T278 HydrophobicContact CG1-CG2 4.41Å; I259-V283 HydrophobicContact CG1-CG1 4.25Å; I259-V283 HydrophobicContact CG1-CG2 4.36Å
260	P	92.6	Very high	91.7	Very high	78 Å²	78	50.4 Å²	50.4	51%	0.506	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.1	179.3	-24.1	31.3	0	0	0	112.5	R262 I282	P260-R262 VanDerWaalsContact C-N 3.28Å; P260-R262 PolarHBondContact O-N 3.45Å; P260-I282 VanDerWaalsContact CD-O 3.31Å; P260-I282 WeakPolarHBondContact CD-O 3.34Å; P260-I282 HydrophobicContact CG-CG2 3.46Å; P260-I282 VanDerWaalsContact CG-CG2 3.46Å
261	G	88.9	Confident	91.7	Very high	92 Å²	92	55.7 Å²	55.7	95%	0.948	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.1	178.8	0	0	0	0	0	115.5	I259	I259-G261 PolarHBondContact O-N 2.99Å
262	R	92.4	Very high	92.2	Very high	117 Å²	117	54.2 Å²	54.2	44%	0.442	32%	0.316	S	S	.	.	S	Bend	trans	-114.6	157.4	169.9	-63.5	-172.6	178.6	175.4	4.5	110.4	I259 P260 N277 N279	I259-R262 HydrophobicContact CB-CB 4.4Å; I259-R262 PolarHBondContact O-N 3.19Å; I259-R262 VanDerWaalsContact O-N 3.12Å; P260-R262 VanDerWaalsContact C-N 3.28Å; P260-R262 PolarHBondContact O-N 3.45Å; R262-N277 PolarHBondContact NH1-O 3.35Å; R262-N277 VanDerWaalsContact NH1-O 3.15Å; R262-N279 PolarHBondContact NH2-ND2 2.85Å
263	N	93.1	Very high	92.6	Very high	148 Å²	148	53.2 Å²	53.2	79%	0.791	32%	0.315	S	S	*	.			trans	-67.1	138.4	170.5	-69	-24.1	0	0	0	109.6	M265	N263-M265 PolarHBondContact O-N 3.15Å
264	P	92.8	Very high	92.8	Very high	71 Å²	71	54.3 Å²	54.3	46%	0.461	33%	0.327	S	S	.	.			trans	-55.4	136.2	176.2	-26.1	35	0	0	0	112.2	E256 I258	E256-P264 HydrophobicContact CG-CB 3.78Å; I258-P264 HydrophobicContact CG1-CB 4.27Å
265	M	93	Very high	92.9	Very high	67 Å²	67	56.4 Å²	56.4	33%	0.33	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.4	178.2	-63.2	179.6	-64.9	0	0	109.2	E256 V257 I259 N263 I276	E256-M265 CarbonylContact C-O 3.5Å; E256-M265 WeakPolarHBondContact CA-O 3.5Å; V257-M265 HydrophobicContact CB-CB 4.31Å; V257-M265 HydrophobicContact CB-CE 3.97Å; V257-M265 HydrophobicContact CG1-CE 3.85Å; V257-M265 PolarHBondContact N-O 2.93Å; V257-M265 PolarHBondContact O-N 3.19Å; I259-M265 HydrophobicContact CD1-CE 3.8Å; N263-M265 PolarHBondContact O-N 3.15Å; M265-I276 HydrophobicContact CE-CD1 4.41Å; M265-I276 HydrophobicContact CE-CG2 4.04Å
266	K	92.4	Very high	92.9	Very high	90 Å²	90	57.4 Å²	57.4	39%	0.391	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.4	175.7	-161.8	177.9	-168.3	-172.5	0	109.8	C250 W254	C250-K266 HydrophobicContact CB-CD 4.13Å; C250-K266 HydrophobicContact CB-CG 4.35Å; C250-K266 PolarHBondContact O-NZ 3.37Å; W254-K266 HydrophobicContact CB-CD 4.17Å; W254-K266 HydrophobicContact CB-CG 3.74Å; W254-K266 HydrophobicContact CG-CD 4.26Å; W254-K266 HydrophobicContact CG-CG 4.1Å
267	L	93.3	Very high	92.8	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.168	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.3	-175.9	-53.9	176	0	0	0	110.6	F233 F237 L255 V257 P273	F233-L267 HydrophobicContact CZ-CD1 4.29Å; F237-L267 HydrophobicContact CZ-CB 4.03Å; L255-L267 HydrophobicContact CB-CB 4.37Å; L255-L267 HydrophobicContact CD2-CD1 4.29Å; L255-L267 PolarHBondContact N-O 3.47Å; L255-L267 WeakPolarHBondContact O-CA 3.41Å; L255-L267 WeakPolarHBondContact O-CB 3.23Å; L255-L267 PolarHBondContact O-N 3.15Å; V257-L267 HydrophobicContact CG2-CD1 3.64Å; V257-L267 HydrophobicContact CG2-CG 4.34Å; L267-P273 HydrophobicContact CD1-CB 4.41Å; L267-P273 HydrophobicContact CD1-CG 4.01Å; L267-P273 HydrophobicContact CD2-CB 4.48Å
268	C	91.8	Very high	92.7	Very high	17 Å²	17	59.3 Å²	59.3	12%	0.115	36%	0.359	C	S	.	.			trans	-152.6	174.8	166.4	63.8	0	0	0	0	110.9	I239 S241 C250	I239-C268 HydrophobicContact CB-CB 4.22Å; I239-C268 HydrophobicContact CG2-CB 3.92Å; S241-C268 VanDerWaalsContact CB-SG 3.53Å; C250-C268 VanDerWaalsContact CA-SG 3.5Å; C250-C268 HydrophobicContact CB-CB 3.64Å; C250-C268 WeakPolarHBondContact CB-SG 3.45Å; C250-C268 WeakPolarHBondContact SG-CB 3.39Å; C250-C268 CovalentContact SG-SG 2.02Å; C250-C268 PolarHBondContact SG-SG 3.2Å
269	G	90.4	Very high	92.4	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.01	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	98.7	-171.8	-175.7	0	0	0	0	0	113.5	F237 H238 I239 S241	F237-G269 WeakPolarHBondContact CD1-O 3.45Å; H238-G269 WeakPolarHBondContact CA-O 3.47Å; I239-G269 PolarHBondContact N-O 3.09Å; I239-G269 WeakPolarHBondContact O-CA 3.47Å; I239-G269 PolarHBondContact O-N 2.65Å; S241-G269 WeakPolarHBondContact OG-CA 3.23Å
270	G	89.3	Confident	92.3	Very high	50 Å²	50	63.3 Å²	63.3	52%	0.515	38%	0.382	S	S	.	.	S	Bend	trans	-98.2	2.9	-177.3	0	0	0	0	0	115.7	F237	F237-G270 CarbonylContact O-C 3.49Å; F237-G270 WeakPolarHBondContact O-CA 3.32Å
271	T	89.6	Confident	92.3	Very high	120 Å²	120	62.2 Å²	62.2	74%	0.736	37%	0.372	S	S	*	.	S	Bend	trans	-104.5	125.5	-176.6	-54.7	0	0	0	0	110.2	F237	F237-T271 WeakPolarHBondContact CD1-O 3.09Å
272	S	92.5	Very high	92.6	Very high	26 Å²	26	60.7 Å²	60.7	18%	0.182	34%	0.341	C	S	.	.			trans	-67.6	138.6	175.8	-178.7	0	0	0	0	111.6	F233 S234 G274	F233-S272 WeakPolarHBondContact CB-OG 3.28Å; F233-S272 PolarHBondContact O-OG 3.12Å; S234-S272 VanDerWaalsContact O-CB 3.24Å; S234-S272 WeakPolarHBondContact O-CB 3.49Å; S234-S272 PolarHBondContact O-OG 2.67Å; S272-G274 PolarHBondContact O-N 3.34Å; S272-G274 PolarHBondContact OG-N 3.45Å
273	P	92.8	Very high	92.8	Very high	48 Å²	48	55.1 Å²	55.1	31%	0.312	32%	0.32	S	S	.	.			trans	-73.7	-9.8	174.1	34.1	-39.4	0	0	0	113.2	F233 L267 I276	F233-P273 HydrophobicContact CB-CG 3.8Å; F233-P273 HydrophobicContact CD1-CG 4Å; F233-P273 HydrophobicContact CD2-CG 3.46Å; F233-P273 VanDerWaalsContact CD2-CG 3.46Å; F233-P273 HydrophobicContact CE1-CG 4.45Å; F233-P273 HydrophobicContact CE2-CG 3.97Å; F233-P273 HydrophobicContact CG-CG 3.47Å; F233-P273 VanDerWaalsContact CG-CG 3.47Å; F233-P273 HydrophobicContact CZ-CG 4.42Å; L267-P273 HydrophobicContact CD1-CB 4.41Å; L267-P273 HydrophobicContact CD1-CG 4.01Å; L267-P273 HydrophobicContact CD2-CB 4.48Å; P273-I276 HydrophobicContact CB-CD1 4.09Å; P273-I276 HydrophobicContact CG-CD1 4.31Å
274	G	94.2	Very high	92.8	Very high	23 Å²	23	51 Å²	51	24%	0.237	30%	0.295	C	S	.	.			trans	65.5	-138.7	-179.4	0	0	0	0	0	113.5	F233 S272	F233-G274 PolarHBondContact N-O 2.85Å; S272-G274 PolarHBondContact O-N 3.34Å; S272-G274 PolarHBondContact OG-N 3.45Å
275	L	94.9	Very high	92.9	Very high	105 Å²	105	47.6 Å²	47.6	55%	0.55	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.7	-178.7	-176.4	70.1	0	0	0	111.7	L231 N232	L231-L275 CarbonylContact O-C 3.52Å; L231-L275 WeakPolarHBondContact O-CA 3.42Å; N232-L275 HydrophobicContact CB-CD1 4.07Å
276	I	95.1	Very high	92.9	Very high	22 Å²	22	46 Å²	46	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.3	175.2	-54.3	-179	0	0	0	109.4	S230 L231 F233 M265 P273 T278	S230-I276 WeakPolarHBondContact CA-O 3.37Å; L231-I276 HydrophobicContact CB-CB 4.35Å; L231-I276 PolarHBondContact N-O 3.22Å; L231-I276 PolarHBondContact O-N 3.15Å; F233-I276 HydrophobicContact CD2-CD1 4.24Å; F233-I276 HydrophobicContact CE2-CD1 3.84Å; M265-I276 HydrophobicContact CE-CD1 4.41Å; M265-I276 HydrophobicContact CE-CG2 4.04Å; P273-I276 HydrophobicContact CB-CD1 4.09Å; P273-I276 HydrophobicContact CG-CD1 4.31Å; I276-T278 PolarHBondContact O-N 2.95Å
277	N	92.9	Very high	92.8	Very high	88 Å²	88	41.7 Å²	41.7	47%	0.471	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	112	171.1	-67	-22.3	0	0	0	110	S230 R262	S230-N277 PolarHBondContact OG-OD1 2.77Å; R262-N277 PolarHBondContact NH1-O 3.35Å; R262-N277 VanDerWaalsContact NH1-O 3.15Å
278	T	92.3	Very high	92.7	Very high	2 Å²	2	42 Å²	42	1%	0.012	25%	0.25	C	C	.	.			trans	-83.6	-28.1	-170.7	74.4	0	0	0	0	111.9	L229 L231 I259 I276 S280 V283	L229-T278 HydrophobicContact CB-CG2 4.35Å; L229-T278 VanDerWaalsContact O-CB 3.28Å; L229-T278 WeakPolarHBondContact O-CB 3.32Å; L229-T278 VanDerWaalsContact O-CG2 3.3Å; L229-T278 WeakPolarHBondContact O-CG2 3.46Å; L229-T278 PolarHBondContact O-N 2.89Å; L229-T278 PolarHBondContact O-OG1 2.82Å; L231-T278 HydrophobicContact CD1-CG2 4.47Å; L231-T278 HydrophobicContact CG-CG2 4.06Å; I259-T278 HydrophobicContact CD1-CG2 3.96Å; I259-T278 HydrophobicContact CG1-CG2 4.41Å; I276-T278 PolarHBondContact O-N 2.95Å; T278-S280 PolarHBondContact O-N 3.01Å; T278-S280 PolarHBondContact OG1-N 3.19Å; T278-S280 VanDerWaalsContact OG1-N 3.16Å; T278-S280 PolarHBondContact OG1-O 2.88Å; T278-V283 HydrophobicContact CG2-CG2 3.44Å; T278-V283 VanDerWaalsContact CG2-CG2 3.44Å
279	N	90.2	Very high	92.5	Very high	117 Å²	117	41.4 Å²	41.4	63%	0.626	25%	0.245	S	C	*	.			trans	51.4	27.4	-168.8	-60.3	-15.3	0	0	0	112.9	R262	R262-N279 PolarHBondContact NH2-ND2 2.85Å
280	S	93.1	Very high	92.2	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.112	26%	0.257	C	S	.	.	S	Bend	trans	-131.8	150.9	178.8	-169.5	0	0	0	0	110.3	T228 L229 T278 I282	T228-S280 CarbonylContact C-O 3.48Å; T228-S280 WeakPolarHBondContact CA-O 3.23Å; L229-S280 PolarHBondContact N-O 2.89Å; T278-S280 PolarHBondContact O-N 3.01Å; T278-S280 PolarHBondContact OG1-N 3.19Å; T278-S280 VanDerWaalsContact OG1-N 3.16Å; T278-S280 PolarHBondContact OG1-O 2.88Å; S280-I282 VanDerWaalsContact C-N 3.27Å; S280-I282 WeakPolarHBondContact CB-O 3.48Å; S280-I282 PolarHBondContact OG-N 2.84Å; S280-I282 PolarHBondContact OG-O 3.5Å; S280-I282 VanDerWaalsContact OG-O 3.09Å
281	N	93.9	Very high	91.8	Very high	55 Å²	55	46.4 Å²	46.4	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-84.3	-5.7	172.2	71.4	-63.8	0	0	0	112.2	V223 F227	V223-N281 HydrophobicContact CG2-CB 4.1Å; V223-N281 WeakPolarHBondContact CG2-O 3.25Å; V223-N281 PolarHBondContact N-O 3.21Å; V223-N281 PolarHBondContact O-ND2 2.75Å; F227-N281 WeakPolarHBondContact O-CA 3.4Å; F227-N281 WeakPolarHBondContact O-CB 3.37Å
282	I	94.8	Very high	91.2	Very high	59 Å²	59	46.4 Å²	46.4	30%	0.303	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.3	177.6	-171.1	171.1	0	0	0	111.2	I220 I221 P260 S280	I220-I282 HydrophobicContact CG2-CD1 4.23Å; I220-I282 HydrophobicContact CG2-CG1 4.33Å; I221-I282 CarbonylContact O-C 3.53Å; I221-I282 VanDerWaalsContact O-CA 3.27Å; I221-I282 WeakPolarHBondContact O-CA 3.3Å; P260-I282 VanDerWaalsContact CD-O 3.31Å; P260-I282 WeakPolarHBondContact CD-O 3.34Å; P260-I282 HydrophobicContact CG-CG2 3.46Å; P260-I282 VanDerWaalsContact CG-CG2 3.46Å; S280-I282 VanDerWaalsContact C-N 3.27Å; S280-I282 WeakPolarHBondContact CB-O 3.48Å; S280-I282 PolarHBondContact OG-N 2.84Å; S280-I282 PolarHBondContact OG-O 3.5Å; S280-I282 VanDerWaalsContact OG-O 3.09Å
283	V	95.6	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.8	173.7	-177	0	0	0	0	108.7	I221 L229 L231 V257 I259 T278 L285	I221-V283 PolarHBondContact N-O 3.38Å; I221-V283 PolarHBondContact O-N 2.68Å; L229-V283 HydrophobicContact CB-CG2 4.16Å; L229-V283 HydrophobicContact CD1-CB 4.34Å; L229-V283 HydrophobicContact CD1-CG2 3.85Å; L231-V283 HydrophobicContact CD1-CG1 4.11Å; V257-V283 HydrophobicContact CG1-CG1 3.96Å; I259-V283 HydrophobicContact CG1-CG1 4.25Å; I259-V283 HydrophobicContact CG1-CG2 4.36Å; T278-V283 HydrophobicContact CG2-CG2 3.44Å; T278-V283 VanDerWaalsContact CG2-CG2 3.44Å; V283-L285 HydrophobicContact CG1-CD2 4.13Å
284	K	94.4	Very high	90.1	Very high	61 Å²	61	50.6 Å²	50.6	27%	0.265	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.8	176.4	177	-177.4	155.2	-174.6	0	109.5	Q218 Y219 I220 I258 D286	Q218-K284 VanDerWaalsContact CD-CE 3.47Å; Q218-K284 HydrophobicContact CG-CD 4.4Å; Q218-K284 HydrophobicContact CG-CG 4.26Å; Y219-K284 CarbonylContact O-C 3.57Å; Y219-K284 WeakPolarHBondContact O-CA 3.45Å; I220-K284 HydrophobicContact CG1-CG 4.29Å; I258-K284 HydrophobicContact CB-CB 4.18Å; I258-K284 HydrophobicContact CD1-CD 4.2Å; I258-K284 HydrophobicContact CD1-CG 4.42Å; I258-K284 PolarHBondContact N-O 3.14Å; I258-K284 PolarHBondContact O-N 3Å; K284-D286 WeakPolarHBondContact CE-OD1 3.46Å; K284-D286 WeakPolarHBondContact CE-OD2 3.45Å; K284-D286 IonicContact NZ-OD1 3.99Å; K284-D286 PolarHBondContact NZ-OD1 3.45Å; K284-D286 IonicContact NZ-OD2 3.88Å; K284-D286 PolarHBondContact NZ-OD2 3.49Å
285	L	93.8	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.6	177.7	-53.2	175	0	0	0	108.6	L202 Q218 Y219 I221 L231 L255 E256 V257 V283 W298 L300	L202-L285 HydrophobicContact CD1-CD1 4.15Å; Q218-L285 CarbonylContact C-O 3.44Å; Q218-L285 WeakPolarHBondContact CA-O 3.47Å; Y219-L285 HydrophobicContact CD2-CB 4.26Å; Y219-L285 PolarHBondContact N-O 3.21Å; Y219-L285 PolarHBondContact O-N 3.19Å; I221-L285 HydrophobicContact CD1-CD1 4.43Å; L231-L285 HydrophobicContact CD1-CD2 4.08Å; L255-L285 HydrophobicContact CD1-CB 4.12Å; E256-L285 CarbonylContact O-C 3.46Å; E256-L285 WeakPolarHBondContact O-CA 3.39Å; V257-L285 HydrophobicContact CB-CD2 4.13Å; V257-L285 HydrophobicContact CG1-CD2 3.87Å; V257-L285 HydrophobicContact CG2-CD2 3.79Å; V283-L285 HydrophobicContact CG1-CD2 4.13Å; L285-W298 HydrophobicContact CD1-CH2 4.18Å; L285-W298 HydrophobicContact CD1-CZ3 4.48Å; L285-L300 HydrophobicContact CD1-CD2 3.77Å
286	D	92.8	Very high	89.6	Confident	33 Å²	33	47.9 Å²	47.9	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.7	175.6	-78.8	-20.2	0	0	0	109.1	Q218 L255 E256 I258 K284	Q218-D286 WeakPolarHBondContact CG-OD1 3.4Å; Q218-D286 PolarHBondContact NE2-OD1 3.29Å; L255-D286 CarbonylContact C-O 3.3Å; E256-D286 HydrophobicContact CB-CB 4.35Å; E256-D286 PolarHBondContact N-O 3.4Å; E256-D286 PolarHBondContact O-N 3.17Å; I258-D286 HydrophobicContact CD1-CB 4.49Å; I258-D286 WeakPolarHBondContact CD1-OD2 3.25Å; K284-D286 WeakPolarHBondContact CE-OD1 3.46Å; K284-D286 WeakPolarHBondContact CE-OD2 3.45Å; K284-D286 IonicContact NZ-OD1 3.99Å; K284-D286 PolarHBondContact NZ-OD1 3.45Å; K284-D286 IonicContact NZ-OD2 3.88Å; K284-D286 PolarHBondContact NZ-OD2 3.49Å
287	Y	91.9	Very high	89.4	Confident	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.9	-179.6	-175.1	-130.6	0	0	0	110.7	S204 S211 L215 S216 C217 I239 W254 L255 I289 W298	S204-Y287 VanDerWaalsContact CB-CE1 3.49Å; S211-Y287 PolarHBondContact OG-OH 3.46Å; L215-Y287 HydrophobicContact CD2-CD1 3.52Å; L215-Y287 HydrophobicContact CD2-CE1 3.38Å; L215-Y287 HydrophobicContact CG-CD1 4.47Å; S216-Y287 WeakPolarHBondContact CA-O 3.08Å; C217-Y287 PolarHBondContact N-O 2.96Å; C217-Y287 PolarHBondContact O-N 2.74Å; I239-Y287 HydrophobicContact CD1-CD2 4.4Å; I239-Y287 HydrophobicContact CD1-CE2 3.86Å; I239-Y287 HydrophobicContact CG1-CE2 4.16Å; W254-Y287 WeakPolarHBondContact O-CA 3.44Å; W254-Y287 VanDerWaalsContact O-CD2 3.27Å; W254-Y287 WeakPolarHBondContact O-CD2 3.45Å; L255-Y287 HydrophobicContact CB-CD2 4.01Å; L255-Y287 HydrophobicContact CD1-CD2 4.23Å; L255-Y287 HydrophobicContact CD1-CG 4.42Å; Y287-I289 HydrophobicContact CE1-CD1 3.7Å; Y287-I289 HydrophobicContact CE1-CG1 4.03Å; Y287-I289 HydrophobicContact CE2-CD1 4.48Å; Y287-I289 HydrophobicContact CE2-CG1 4.23Å; Y287-I289 VanDerWaalsContact OH-CD1 3.25Å; Y287-I289 WeakPolarHBondContact OH-CD1 3.16Å; Y287-W298 AromaticContact CD1-NE1 3.68Å; Y287-W298 AromaticContact CD2-CD1 3.93Å; Y287-W298 AromaticContact CD2-NE1 3.26Å; Y287-W298 VanDerWaalsContact CD2-NE1 3.26Å; Y287-W298 AromaticContact CE1-NE1 3.83Å; Y287-W298 AromaticContact CE2-CD1 3.7Å; Y287-W298 AromaticContact CE2-NE1 3.46Å; Y287-W298 HydrophobicContact CG-CZ2 4.39Å; Y287-W298 AromaticContact CG-NE1 3.39Å; Y287-W298 AromaticContact CZ-CD1 3.93Å; Y287-W298 AromaticContact CZ-NE1 3.73Å
288	N	89.9	Confident	89.4	Confident	39 Å²	39	42.6 Å²	42.6	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.1	-176.3	-167.1	62.7	0	0	0	111.9	L215 H253 W254	L215-N288 CarbonylContact O-C 3.55Å; L215-N288 WeakPolarHBondContact O-CA 3.41Å; L215-N288 PolarHBondContact O-OD1 3.11Å; H253-N288 CarbonylContact C-O 3.49Å; H253-N288 VanDerWaalsContact CA-O 3.31Å; H253-N288 WeakPolarHBondContact CA-O 3.27Å; W254-N288 HydrophobicContact CD2-CB 3.95Å; W254-N288 HydrophobicContact CE3-CB 4.38Å; W254-N288 HydrophobicContact CH2-CB 4.11Å; W254-N288 WeakPolarHBondContact CH2-ND2 3.35Å; W254-N288 HydrophobicContact CZ2-CB 3.61Å; W254-N288 VanDerWaalsContact CZ2-ND2 3.28Å; W254-N288 WeakPolarHBondContact CZ2-ND2 3.43Å; W254-N288 HydrophobicContact CZ3-CB 4.45Å; W254-N288 WeakPolarHBondContact CZ3-ND2 3.03Å; W254-N288 PolarHBondContact N-O 3.02Å; W254-N288 PolarHBondContact O-N 2.81Å
289	I	87.3	Confident	89.4	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.3	175.8	-50.5	-178.9	0	0	0	107	A214 L215 H253 Y287	A214-I289 CarbonylContact C-O 3.59Å; A214-I289 WeakPolarHBondContact CA-O 3.46Å; L215-I289 HydrophobicContact CB-CB 3.7Å; L215-I289 HydrophobicContact CB-CD1 4.02Å; L215-I289 HydrophobicContact CB-CG1 3.89Å; L215-I289 HydrophobicContact CD2-CD1 3.57Å; L215-I289 HydrophobicContact CD2-CG1 4Å; L215-I289 HydrophobicContact CG-CD1 4.42Å; L215-I289 HydrophobicContact CG-CG1 4.48Å; L215-I289 PolarHBondContact N-O 2.95Å; L215-I289 PolarHBondContact O-N 2.88Å; H253-I289 VanDerWaalsContact CD2-CG2 3.42Å; H253-I289 WeakPolarHBondContact CD2-CG2 3.26Å; H253-I289 VanDerWaalsContact CE1-CG2 3.43Å; H253-I289 WeakPolarHBondContact CE1-CG2 3.36Å; H253-I289 WeakPolarHBondContact NE2-CG2 3.12Å; Y287-I289 HydrophobicContact CE1-CD1 3.7Å; Y287-I289 HydrophobicContact CE1-CG1 4.03Å; Y287-I289 HydrophobicContact CE2-CD1 4.48Å; Y287-I289 HydrophobicContact CE2-CG1 4.23Å; Y287-I289 VanDerWaalsContact OH-CD1 3.25Å; Y287-I289 WeakPolarHBondContact OH-CD1 3.16Å
290	D	84.5	Confident	89.6	Confident	48 Å²	48	37.2 Å²	37.2	26%	0.257	20%	0.2	S	C	.	.			trans	-94	-153.7	172.8	67.8	12.6	0	0	0	110.2	A214 H252 H253 Q292	A214-D290 PolarHBondContact N-O 2.83Å; A214-D290 VanDerWaalsContact N-O 3.1Å; H252-D290 WeakPolarHBondContact CB-OD1 3.14Å; H252-D290 WeakPolarHBondContact CB-OD2 2.92Å; H252-D290 IonicContact CE1-OD2 2.81Å; H252-D290 IonicContact CG-OD1 3.26Å; H252-D290 IonicContact CG-OD2 3.36Å; H252-D290 IonicContact ND1-OD1 3.93Å; H252-D290 IonicContact ND1-OD2 2.8Å; H252-D290 PolarHBondContact ND1-OD2 3.18Å; H253-D290 PolarHBondContact CD2-N 3.44Å; H253-D290 IonicContact CD2-OD1 3.51Å; H253-D290 IonicContact NE2-OD1 3.17Å; H253-D290 PolarHBondContact NE2-OD1 3.25Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.03Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.43Å; D290-Q292 PolarHBondContact OD1-N 2.91Å
291	N	80.6	Confident	89.7	Confident	107 Å²	107	40.3 Å²	40.3	57%	0.572	22%	0.215	S	C	*	.	S	Bend	trans	-96.8	14.2	178	-63.5	-26.7	0	0	0	112.2	A214	A214-N291 WeakPolarHBondContact CB-OD1 3.03Å; A214-N291 PolarHBondContact N-OD1 3.15Å
292	Q	77.8	Confident	89.8	Confident	121 Å²	121	38 Å²	38	57%	0.565	20%	0.202	S	C	*	.	S	Bend	trans	-129.7	109.7	-169.1	-60.4	-63	-54.6	0	0	111.8	H252 H253 D290	H252-Q292 WeakPolarHBondContact CB-O 3.38Å; H253-Q292 PolarHBondContact CE1-O 2.95Å; H253-Q292 PolarHBondContact NE2-O 3.12Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.03Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.43Å; D290-Q292 PolarHBondContact OD1-N 2.91Å
293	G	79.4	Confident	89.9	Confident	42 Å²	42	36.8 Å²	36.8	43%	0.433	20%	0.199	S	C	.	.	S	Bend	trans	107.2	-174.1	179.4	0	0	0	0	0	112.3
294	Q	83.3	Confident	89.8	Confident	120 Å²	120	37.8 Å²	37.8	56%	0.561	21%	0.205	S	C	*	.			trans	-143.3	120.5	180	-170.2	172.8	34.2	0	0	112.6	P210 H238 E240	P210-Q294 HydrophobicContact CB-CG 4.04Å; P210-Q294 HydrophobicContact CG-CG 4.41Å; H238-Q294 PolarHBondContact CE1-O 3.21Å; H238-Q294 VanDerWaalsContact CE1-O 3.31Å; H238-Q294 PolarHBondContact ND1-O 2.9Å; E240-Q294 PolarHBondContact OE2-N 2.84Å; E240-Q294 VanDerWaalsContact OE2-N 3.09Å; E240-Q294 VanDerWaalsContact OE2-O 3.1Å
295	S	88.8	Confident	89.8	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.214	C	C	.	.			trans	-107.7	129	177.2	-63	0	0	0	0	110.9	P210 S211 I239 E240 H253 G297	P210-S295 CarbonylContact C-O 3.54Å; P210-S295 VanDerWaalsContact CA-O 3.27Å; P210-S295 WeakPolarHBondContact CA-O 3.04Å; S211-S295 PolarHBondContact N-O 2.99Å; I239-S295 WeakPolarHBondContact CA-OG 3.32Å; E240-S295 PolarHBondContact N-OG 2.97Å; H253-S295 PolarHBondContact ND1-OG 2.9Å; S295-G297 PolarHBondContact O-N 2.7Å
296	N	89.1	Confident	89.8	Confident	68 Å²	68	43.5 Å²	43.5	36%	0.364	23%	0.229	S	C	.	.			trans	-82.9	-3.3	172.8	-56.3	-44.6	0	0	0	112.5	Y207 H238	Y207-N296 WeakPolarHBondContact CD2-O 3.44Å; H238-N296 HydrophobicContact CB-CB 3.97Å; H238-N296 PolarHBondContact O-N 3.45Å; H238-N296 VanDerWaalsContact O-N 3.1Å
297	G	90.1	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	93.1	-167.4	170.2	0	0	0	0	0	114.1	S204 H238 S295	S204-G297 WeakPolarHBondContact OG-CA 3.28Å; H238-G297 PolarHBondContact N-O 2.9Å; H238-G297 PolarHBondContact O-N 2.8Å; S295-G297 PolarHBondContact O-N 2.7Å
298	W	92.9	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.			trans	-146.4	156.9	-177.9	56.1	-92.6	0	0	0	110.5	L202 M203 S204 Y219 F233 F237 L255 L285 Y287 L300	L202-W298 HydrophobicContact CB-CH2 4.36Å; L202-W298 HydrophobicContact CB-CZ3 3.98Å; M203-W298 CarbonylContact C-O 3.58Å; M203-W298 VanDerWaalsContact CA-O 3.29Å; M203-W298 WeakPolarHBondContact CA-O 3.36Å; S204-W298 PolarHBondContact N-O 2.92Å; S204-W298 PolarHBondContact OG-N 2.79Å; S204-W298 PolarHBondContact OG-O 2.85Å; Y219-W298 HydrophobicContact CD2-CH2 4.01Å; Y219-W298 HydrophobicContact CD2-CZ2 4.08Å; Y219-W298 AromaticContact CE2-CH2 3.88Å; Y219-W298 HydrophobicContact CE2-CH2 3.88Å; Y219-W298 AromaticContact CE2-CZ2 3.66Å; Y219-W298 HydrophobicContact CE2-CZ2 3.66Å; F233-W298 HydrophobicContact CE1-CE3 4.28Å; F237-W298 HydrophobicContact CD2-CB 3.55Å; F237-W298 HydrophobicContact CE2-CB 3.69Å; F237-W298 HydrophobicContact CE2-CG 4.4Å; L255-W298 HydrophobicContact CD1-CZ2 3.78Å; L255-W298 HydrophobicContact CD2-CD2 3.87Å; L255-W298 HydrophobicContact CD2-CE3 4.44Å; L255-W298 HydrophobicContact CD2-CG 3.99Å; L255-W298 HydrophobicContact CD2-CZ2 4.42Å; L285-W298 HydrophobicContact CD1-CH2 4.18Å; L285-W298 HydrophobicContact CD1-CZ3 4.48Å; Y287-W298 AromaticContact CD1-NE1 3.68Å; Y287-W298 AromaticContact CD2-CD1 3.93Å; Y287-W298 AromaticContact CD2-NE1 3.26Å; Y287-W298 VanDerWaalsContact CD2-NE1 3.26Å; Y287-W298 AromaticContact CE1-NE1 3.83Å; Y287-W298 AromaticContact CE2-CD1 3.7Å; Y287-W298 AromaticContact CE2-NE1 3.46Å; Y287-W298 HydrophobicContact CG-CZ2 4.39Å; Y287-W298 AromaticContact CG-NE1 3.39Å; Y287-W298 AromaticContact CZ-CD1 3.93Å; Y287-W298 AromaticContact CZ-NE1 3.73Å; W298-L300 HydrophobicContact CE3-CD2 3.89Å; W298-L300 HydrophobicContact CE3-CG 4.31Å; W298-L300 HydrophobicContact CH2-CD2 4.45Å; W298-L300 HydrophobicContact CZ3-CD2 3.53Å; W298-L300 HydrophobicContact CZ3-CG 3.95Å
299	S	93.2	Very high	90.3	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.8	171.8	161.9	0	0	0	0	108.8	H201 L202 S234	H201-S299 PolarHBondContact CE1-OG 3.3Å; H201-S299 PolarHBondContact NE2-OG 3.44Å; L202-S299 CarbonylContact O-C 3.52Å; L202-S299 WeakPolarHBondContact O-CA 3.4Å; S234-S299 WeakPolarHBondContact CB-O 3.28Å; S234-S299 PolarHBondContact N-O 3.08Å; S234-S299 PolarHBondContact OG-O 3.21Å
300	L	94.9	Very high	90.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.1	179.1	71.1	88.5	0	0	0	111.4	H201 L202 L231 N232 F233 L285 W298	H201-L300 PolarHBondContact ND1-O 3.31Å; L202-L300 HydrophobicContact CB-CD1 4.21Å; L202-L300 HydrophobicContact CB-CG 4.17Å; L202-L300 HydrophobicContact CD1-CD1 4.45Å; L202-L300 PolarHBondContact N-O 3.03Å; L202-L300 PolarHBondContact O-N 3.28Å; L231-L300 HydrophobicContact CD2-CD1 4.32Å; N232-L300 CarbonylContact O-C 3.53Å; N232-L300 WeakPolarHBondContact O-CA 3.42Å; N232-L300 WeakPolarHBondContact O-CB 3.48Å; F233-L300 HydrophobicContact CD1-CB 3.97Å; F233-L300 HydrophobicContact CD1-CD2 4.13Å; F233-L300 HydrophobicContact CD2-CB 4.36Å; F233-L300 HydrophobicContact CE1-CB 4.24Å; F233-L300 HydrophobicContact CE1-CD2 3.52Å; F233-L300 HydrophobicContact CE2-CD2 3.97Å; F233-L300 HydrophobicContact CG-CB 4.05Å; F233-L300 HydrophobicContact CZ-CD2 3.44Å; F233-L300 VanDerWaalsContact CZ-CD2 3.44Å; L285-L300 HydrophobicContact CD1-CD2 3.77Å; W298-L300 HydrophobicContact CE3-CD2 3.89Å; W298-L300 HydrophobicContact CE3-CG 4.31Å; W298-L300 HydrophobicContact CH2-CD2 4.45Å; W298-L300 HydrophobicContact CZ3-CD2 3.53Å; W298-L300 HydrophobicContact CZ3-CG 3.95Å
301	D	95.6	Very high	91.2	Very high	80 Å²	80	50.9 Å²	50.9	43%	0.428	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.6	163.8	-67.6	-64.8	0	0	0	108.7	G200 H201 N232	G200-D301 CarbonylContact O-C 3.56Å; G200-D301 WeakPolarHBondContact O-CA 3.26Å; H201-D301 IonicContact CE1-OD1 2.83Å; H201-D301 IonicContact CG-OD1 3.54Å; H201-D301 IonicContact ND1-OD1 3.34Å; H201-D301 PolarHBondContact ND1-OD1 2.93Å; H201-D301 IonicContact ND1-OD2 3.39Å; N232-D301 WeakPolarHBondContact CB-O 3.27Å; N232-D301 PolarHBondContact N-O 2.81Å; N232-D301 PolarHBondContact O-N 3.36Å
302	Y	95.6	Very high	91.8	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.9	169.2	73.5	-95.8	0	0	0	110.4	F195 E197 E199 G200 L202 I221 L229 S230	F195-Y302 HydrophobicContact CB-CE1 4.41Å; E197-Y302 VanDerWaalsContact O-CE2 3.32Å; E197-Y302 WeakPolarHBondContact O-CE2 3.36Å; E199-Y302 VanDerWaalsContact CA-O 3.25Å; E199-Y302 WeakPolarHBondContact CA-O 3.09Å; G200-Y302 VanDerWaalsContact CA-CE1 3.4Å; G200-Y302 PolarHBondContact N-O 3.43Å; G200-Y302 VanDerWaalsContact O-CD1 3.28Å; G200-Y302 WeakPolarHBondContact O-CD1 3.17Å; G200-Y302 PolarHBondContact O-N 2.94Å; L202-Y302 HydrophobicContact CD1-CD1 4.28Å; L202-Y302 HydrophobicContact CD1-CE1 4.43Å; L202-Y302 HydrophobicContact CG-CD1 4.23Å; L202-Y302 HydrophobicContact CG-CE1 4.25Å; I221-Y302 HydrophobicContact CD1-CD1 3.74Å; I221-Y302 HydrophobicContact CD1-CE1 4.33Å; I221-Y302 HydrophobicContact CD1-CG 3.89Å; I221-Y302 HydrophobicContact CG1-CD1 4.37Å; I221-Y302 HydrophobicContact CG1-CE1 4.48Å; I221-Y302 HydrophobicContact CG2-CD1 4.39Å; I221-Y302 HydrophobicContact CG2-CD2 3.79Å; I221-Y302 HydrophobicContact CG2-CE1 4.3Å; I221-Y302 HydrophobicContact CG2-CE2 3.71Å; I221-Y302 HydrophobicContact CG2-CG 4.15Å; L229-Y302 HydrophobicContact CD2-CD2 3.88Å; L229-Y302 HydrophobicContact CD2-CE2 4.48Å; S230-Y302 VanDerWaalsContact O-CA 3.31Å; S230-Y302 WeakPolarHBondContact O-CA 3.18Å
303	S	95.7	Very high	92.3	Very high	34 Å²	34	43.2 Å²	43.2	24%	0.238	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.4	176.4	56.6	0	0	0	0	110.4	L229 S230	L229-S303 WeakPolarHBondContact CA-O 3.45Å; S230-S303 PolarHBondContact N-O 3.13Å; S230-S303 PolarHBondContact O-N 2.95Å
304	T	94.9	Very high	92.8	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.135	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.3	-179.3	52.4	0	0	0	0	112.6	L198 V223 F227 T228 L229	L198-T304 WeakPolarHBondContact CB-OG1 3.47Å; L198-T304 HydrophobicContact CD2-CG2 4.37Å; L198-T304 WeakPolarHBondContact O-CB 3.22Å; L198-T304 VanDerWaalsContact O-CG2 3.25Å; L198-T304 WeakPolarHBondContact O-CG2 3.41Å; L198-T304 PolarHBondContact O-N 2.65Å; L198-T304 VanDerWaalsContact O-N 3.08Å; L198-T304 PolarHBondContact O-OG1 3.08Å; V223-T304 HydrophobicContact CB-CG2 4.23Å; V223-T304 HydrophobicContact CG1-CG2 3.83Å; V223-T304 HydrophobicContact CG2-CG2 3.87Å; F227-T304 HydrophobicContact CB-CG2 4.3Å; T228-T304 CarbonylContact O-C 3.57Å; T228-T304 VanDerWaalsContact O-CA 3.29Å; T228-T304 WeakPolarHBondContact O-CA 3.31Å; L229-T304 HydrophobicContact CD2-CG2 3.59Å; L229-T304 HydrophobicContact CG-CG2 4.43Å
305	H	93.2	Very high	93.3	Very high	99 Å²	99	45.8 Å²	45.8	46%	0.458	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.8	170.7	-53.9	-68.8	0	0	0	110	F227 T228 S230	F227-H305 CarbonylContact C-O 3.52Å; F227-H305 WeakPolarHBondContact CA-O 3.34Å; T228-H305 PolarHBondContact N-O 3.12Å; T228-H305 PolarHBondContact O-N 2.85Å; T228-H305 PolarHBondContact OG1-O 3.05Å; T228-H305 VanDerWaalsContact OG1-O 3.07Å; S230-H305 PolarHBondContact OG-CD2 3.07Å; S230-H305 PolarHBondContact OG-NE2 2.76Å; S230-H305 VanDerWaalsContact OG-NE2 3.12Å
306	R	94.5	Very high	93.6	Very high	82 Å²	82	49.5 Å²	49.5	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.3	175.8	-69.2	168.8	69.8	-157.3	5.6	110.1	F227 T308 F328 Y329 D331	F227-R306 HydrophobicContact CD1-CG 3.97Å; F227-R306 HydrophobicContact CE1-CG 3.53Å; F227-R306 HydrophobicContact CZ-CG 4.22Å; R306-T308 PolarHBondContact O-N 3.07Å; R306-F328 HydrophobicContact CB-CB 3.8Å; R306-F328 HydrophobicContact CB-CD1 4.16Å; R306-F328 HydrophobicContact CB-CG 4.3Å; R306-F328 PolarHBondContact NH2-O 2.91Å; R306-Y329 PolarHBondContact NE-O 2.91Å; R306-Y329 PolarHBondContact NH2-O 3.48Å; R306-D331 IonicContact CZ-OD1 3.71Å; R306-D331 IonicContact NH1-OD1 3.77Å; R306-D331 PolarHBondContact NH1-OD1 2.8Å; R306-D331 IonicContact NH2-OD1 2.65Å; R306-D331 PolarHBondContact NH2-OD1 3.16Å; R306-D331 IonicContact NH2-OD2 3.47Å
307	V	94.9	Very high	93.9	Very high	27 Å²	27	51.8 Å²	51.8	16%	0.164	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.8	136.8	171.8	172.6	0	0	0	0	109.3	G226 T228 F328 Y329 G361	G226-V307 WeakPolarHBondContact O-CG2 3.44Å; G226-V307 PolarHBondContact O-N 3.13Å; T228-V307 HydrophobicContact CG2-CG2 3.82Å; V307-F328 CarbonylContact O-C 3.53Å; V307-F328 VanDerWaalsContact O-CA 3.3Å; V307-F328 WeakPolarHBondContact O-CA 3.43Å; V307-Y329 PolarHBondContact O-N 3.02Å; V307-G361 VanDerWaalsContact CG1-CA 3.47Å
308	T	95.3	Very high	94.1	Very high	77 Å²	77	52.5 Å²	52.5	47%	0.472	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	-177.9	-47.4	0	0	0	0	110.7	R306 Y327 F328	R306-T308 PolarHBondContact O-N 3.07Å; T308-Y327 CarbonylContact C-O 3.54Å; T308-Y327 WeakPolarHBondContact CA-O 3.5Å; T308-Y327 WeakPolarHBondContact CG2-O 3.42Å; T308-F328 HydrophobicContact CG2-CE1 4.47Å
309	C	95.5	Very high	94.2	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	153.3	171.1	-78	0	0	0	0	111.7	Y327 C357 G361 W363	C309-Y327 PolarHBondContact N-O 3.5Å; C309-C357 HydrophobicContact CB-CB 3.8Å; C309-C357 WeakPolarHBondContact CB-SG 3.42Å; C309-C357 WeakPolarHBondContact SG-CA 3.46Å; C309-C357 WeakPolarHBondContact SG-CB 3.2Å; C309-C357 CovalentContact SG-SG 2.02Å; C309-C357 PolarHBondContact SG-SG 2.85Å; C309-G361 PolarHBondContact SG-O 2.97Å; C309-W363 HydrophobicContact CB-CZ2 4.14Å
310	P	95.8	Very high	94.4	Very high	78 Å²	78	58.2 Å²	58.2	51%	0.506	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.5	145.1	176.2	26.7	-34.4	0	0	0	111.1	G361 W363	P310-G361 VanDerWaalsContact CD-O 3.24Å; P310-G361 WeakPolarHBondContact CD-O 3.44Å; P310-W363 PolarHBondContact O-NE1 2.61Å
311	V	94.8	Very high	94.4	Very high	92 Å²	92	60.7 Å²	60.7	56%	0.558	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-58	125.3	173.7	178.9	0	0	0	0	108.7	Y327	V311-Y327 HydrophobicContact CG1-CE2 4.48Å
312	P	91.8	Very high	94.4	Very high	21 Å²	21	59.6 Å²	59.6	14%	0.136	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-63	140.3	-178.7	25.2	-32.1	0	0	0	110.5	V320 Y327 I333 L367	P312-V320 HydrophobicContact CB-CG1 4.29Å; P312-V320 HydrophobicContact CG-CG1 4Å; P312-Y327 HydrophobicContact CG-CE2 4.01Å; P312-I333 HydrophobicContact CB-CD1 3.63Å; P312-I333 HydrophobicContact CG-CD1 3.91Å; P312-I333 HydrophobicContact CG-CG2 4.45Å; P312-L367 HydrophobicContact CB-CD1 4.27Å; P312-L367 HydrophobicContact CB-CD2 4.38Å
313	G	88.8	Confident	94.2	Very high	45 Å²	45	64.6 Å²	64.6	46%	0.464	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-63.4	173.6	175.7	0	0	0	0	0	113.3	L367	G313-L367 VanDerWaalsContact O-CD1 3.31Å; G313-L367 WeakPolarHBondContact O-CD1 3.42Å
314	Q	89.8	Confident	94.1	Very high	201 Å²	201	66.8 Å²	66.8	94%	0.939	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-81.5	138.9	174.3	-65.4	-176.1	1.9	0	0	110.8
315	V	94.2	Very high	94.1	Very high	15 Å²	15	72 Å²	72	9%	0.091	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-98.6	116.3	171.9	-179.6	0	0	0	0	107.9	K317 G318 V320 V335 L367	V315-K317 PolarHBondContact O-N 2.04Å; V315-G318 CarbonylContact O-C 3.16Å; V315-G318 PolarHBondContact O-N 2.89Å; V315-G318 VanDerWaalsContact O-N 3.16Å; V315-G318 VanDerWaalsContact O-O 3.08Å; V315-V320 HydrophobicContact CG2-CG2 3.87Å; V315-V335 HydrophobicContact CB-CG1 4.29Å; V315-V335 HydrophobicContact CG1-CG1 4.11Å; V315-V335 HydrophobicContact CG2-CG1 3.92Å; V315-V335 HydrophobicContact CG2-CG2 4.48Å; V315-L367 HydrophobicContact CG2-CB 4.24Å; V315-L367 HydrophobicContact CG2-CD1 4.13Å
316	A	95.1	Very high	94.2	Very high	81 Å²	81	72.6 Å²	72.6	67%	0.669	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	132.9	177.3	0	0	0	0	0	110	G318 C370	A316-G318 PolarHBondContact O-N 2.96Å; A316-C370 WeakPolarHBondContact O-CB 3.11Å
317	K	95.6	Very high	94.2	Very high	115 Å²	115	68.9 Å²	68.9	50%	0.5	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	33	-176.9	-55	-66.8	-174	175	0	113.3	V315 D338 Y341 C370	V315-K317 PolarHBondContact O-N 2.04Å; K317-D338 VanDerWaalsContact C-OD2 3.3Å; K317-D338 WeakPolarHBondContact CA-OD2 3.29Å; K317-D338 PolarHBondContact O-N 3.08Å; K317-Y341 HydrophobicContact CB-CD1 3.69Å; K317-Y341 HydrophobicContact CB-CD2 4.11Å; K317-Y341 HydrophobicContact CB-CE1 3.69Å; K317-Y341 HydrophobicContact CB-CE2 4.09Å; K317-Y341 HydrophobicContact CB-CG 3.93Å; K317-Y341 HydrophobicContact CD-CE1 4.3Å; K317-Y341 HydrophobicContact CD-CE2 3.98Å; K317-Y341 WeakPolarHBondContact CE-OH 3.44Å; K317-Y341 HydrophobicContact CG-CD1 4.14Å; K317-Y341 HydrophobicContact CG-CE1 3.59Å; K317-Y341 HydrophobicContact CG-CE2 4.1Å; K317-C370 HydrophobicContact CB-CB 4.32Å; K317-C370 WeakPolarHBondContact O-CB 3.41Å
318	G	95	Very high	94.3	Very high	15 Å²	15	70.5 Å²	70.5	16%	0.155	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	178.7	176.9	0	0	0	0	0	112.2	V315 A316 R336	V315-G318 CarbonylContact O-C 3.16Å; V315-G318 PolarHBondContact O-N 2.89Å; V315-G318 VanDerWaalsContact O-N 3.16Å; V315-G318 VanDerWaalsContact O-O 3.08Å; A316-G318 PolarHBondContact O-N 2.96Å; G318-R336 CarbonylContact C-O 3.54Å; G318-R336 WeakPolarHBondContact CA-O 3.08Å
319	K	95.2	Very high	94.3	Very high	100 Å²	100	67.8 Å²	67.8	44%	0.435	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.4	-175.8	-63.4	178.6	-175.4	172.5	0	109.9	V335 R336 D338	K319-V335 WeakPolarHBondContact O-CA 3.32Å; K319-R336 HydrophobicContact CB-CG 4.08Å; K319-R336 PolarHBondContact N-O 2.97Å; K319-R336 PolarHBondContact O-N 3.22Å; K319-D338 WeakPolarHBondContact CE-OD1 3.34Å
320	V	96.1	Very high	94.3	Very high	26 Å²	26	73.4 Å²	73.4	16%	0.158	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.8	172.2	-172.2	0	0	0	0	108.6	P312 V315 I333 F334 V335	P312-V320 HydrophobicContact CB-CG1 4.29Å; P312-V320 HydrophobicContact CG-CG1 4Å; V315-V320 HydrophobicContact CG2-CG2 3.87Å; V320-I333 HydrophobicContact CG1-CB 3.92Å; V320-I333 HydrophobicContact CG1-CD1 3.98Å; V320-I333 HydrophobicContact CG1-CG1 4.4Å; V320-I333 HydrophobicContact CG1-CG2 4.32Å; V320-F334 CarbonylContact C-O 3.28Å; V320-F334 WeakPolarHBondContact CA-O 3.5Å; V320-V335 HydrophobicContact CG2-CG2 4.2Å
321	T	95.2	Very high	94.3	Very high	53 Å²	53	71.4 Å²	71.4	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.2	-179.9	50.2	0	0	0	0	111.5	F334	T321-F334 PolarHBondContact N-O 3.3Å; T321-F334 WeakPolarHBondContact O-CD2 3.37Å; T321-F334 PolarHBondContact O-N 3.48Å
322	P	94.7	Very high	94.5	Very high	57 Å²	57	72.5 Å²	72.5	37%	0.37	39%	0.392	S	S	.	.	S	Bend	cis	-71.9	155.3	-5.5	32	-35	0	0	0	111.7	L324 Y327 Y332	P322-L324 HydrophobicContact CB-CD2 4.18Å; P322-L324 HydrophobicContact CB-CG 4.06Å; P322-L324 HydrophobicContact CG-CD1 4.01Å; P322-L324 HydrophobicContact CG-CG 4.04Å; P322-Y327 PolarHBondContact O-OH 3.2Å; P322-Y332 WeakPolarHBondContact CD-O 3.4Å
323	S	93.2	Very high	94.7	Very high	111 Å²	111	71.5 Å²	71.5	78%	0.776	39%	0.386	S	S	*	.			trans	-98.2	98.3	171.7	-177	0	0	0	0	108.1	Y327	S323-Y327 WeakPolarHBondContact CA-OH 3.26Å
324	L	93.7	Very high	95.1	Very high	80 Å²	80	74.3 Å²	74.3	42%	0.419	39%	0.385	S	S	.	.			trans	-109.8	160.3	-178.8	-56	177.8	0	0	0	109.4	P322 E326 Y327	P322-L324 HydrophobicContact CB-CD2 4.18Å; P322-L324 HydrophobicContact CB-CG 4.06Å; P322-L324 HydrophobicContact CG-CD1 4.01Å; P322-L324 HydrophobicContact CG-CG 4.04Å; L324-E326 WeakPolarHBondContact CB-O 3.24Å; L324-Y327 HydrophobicContact CB-CE1 4.03Å; L324-Y327 HydrophobicContact CB-CE2 4.1Å; L324-Y327 HydrophobicContact CD1-CD1 4.28Å; L324-Y327 HydrophobicContact CD1-CE1 4.07Å; L324-Y327 HydrophobicContact CG-CE1 4.13Å; L324-Y327 PolarHBondContact N-OH 3.29Å; L324-Y327 WeakPolarHBondContact O-CE2 3.23Å
325	T	93.2	Very high	95.4	Very high	130 Å²	130	65 Å²	65	80%	0.798	34%	0.342	S	S	*	.	S	Bend	trans	-74.6	-29.5	174.2	49.1	0	0	0	0	112.3
326	E	95.3	Very high	95.5	Very high	112 Å²	112	70.6 Å²	70.6	52%	0.523	36%	0.362	S	S	.	.			trans	-141.9	151.4	-179.5	-64.2	-177	135.9	0	0	110	L324 F328	L324-E326 WeakPolarHBondContact CB-O 3.24Å; E326-F328 HydrophobicContact CB-CE2 3.89Å; E326-F328 HydrophobicContact CB-CZ 3.82Å
327	Y	96.1	Very high	95.6	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140	179.3	-64.6	-93.3	0	0	0	109.6	T308 C309 V311 P312 P322 S323 L324 D331 I333 W363	T308-Y327 CarbonylContact C-O 3.54Å; T308-Y327 WeakPolarHBondContact CA-O 3.5Å; T308-Y327 WeakPolarHBondContact CG2-O 3.42Å; C309-Y327 PolarHBondContact N-O 3.5Å; V311-Y327 HydrophobicContact CG1-CE2 4.48Å; P312-Y327 HydrophobicContact CG-CE2 4.01Å; P322-Y327 PolarHBondContact O-OH 3.2Å; S323-Y327 WeakPolarHBondContact CA-OH 3.26Å; L324-Y327 HydrophobicContact CB-CE1 4.03Å; L324-Y327 HydrophobicContact CB-CE2 4.1Å; L324-Y327 HydrophobicContact CD1-CD1 4.28Å; L324-Y327 HydrophobicContact CD1-CE1 4.07Å; L324-Y327 HydrophobicContact CG-CE1 4.13Å; L324-Y327 PolarHBondContact N-OH 3.29Å; L324-Y327 WeakPolarHBondContact O-CE2 3.23Å; Y327-D331 HydrophobicContact CD1-CB 4.44Å; Y327-I333 HydrophobicContact CD1-CG2 3.91Å; Y327-I333 HydrophobicContact CE1-CG2 3.4Å; Y327-I333 VanDerWaalsContact CE1-CG2 3.4Å; Y327-W363 AromaticContact CD1-CH2 3.72Å; Y327-W363 HydrophobicContact CD1-CH2 3.72Å; Y327-W363 AromaticContact CD1-CZ2 3.96Å; Y327-W363 HydrophobicContact CD1-CZ2 3.96Å; Y327-W363 HydrophobicContact CD2-CZ2 4.31Å; Y327-W363 HydrophobicContact CE1-CH2 4.42Å; Y327-W363 AromaticContact CG-CH2 3.95Å; Y327-W363 HydrophobicContact CG-CH2 3.95Å; Y327-W363 AromaticContact CG-CZ2 3.76Å; Y327-W363 HydrophobicContact CG-CZ2 3.76Å
328	F	96.3	Very high	95.6	Very high	61 Å²	61	64.9 Å²	64.9	27%	0.268	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.9	-171.5	-60.4	-76.9	0	0	0	111.7	R306 V307 T308 E326 R330 D331 C357	R306-F328 HydrophobicContact CB-CB 3.8Å; R306-F328 HydrophobicContact CB-CD1 4.16Å; R306-F328 HydrophobicContact CB-CG 4.3Å; R306-F328 PolarHBondContact NH2-O 2.91Å; V307-F328 CarbonylContact O-C 3.53Å; V307-F328 VanDerWaalsContact O-CA 3.3Å; V307-F328 WeakPolarHBondContact O-CA 3.43Å; T308-F328 HydrophobicContact CG2-CE1 4.47Å; E326-F328 HydrophobicContact CB-CE2 3.89Å; E326-F328 HydrophobicContact CB-CZ 3.82Å; F328-R330 PolarHBondContact O-N 2.92Å; F328-D331 PolarHBondContact N-OD2 2.77Å; F328-D331 WeakPolarHBondContact O-CB 3.27Å; F328-D331 VanDerWaalsContact O-CG 3.25Å; F328-D331 PolarHBondContact O-N 2.95Å; F328-C357 WeakPolarHBondContact O-CB 3.22Å
329	Y	95.9	Very high	95.6	Very high	20 Å²	20	71.2 Å²	71.2	8%	0.078	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	122.6	179.4	167.9	-122.9	0	0	0	113	E224 S225 G226 F227 R306 V307 C357	E224-Y329 PolarHBondContact OE1-OH 2.83Å; S225-Y329 WeakPolarHBondContact O-CE1 3.5Å; G226-Y329 WeakPolarHBondContact O-CB 3.5Å; F227-Y329 HydrophobicContact CE2-CD1 4.24Å; F227-Y329 HydrophobicContact CE2-CE1 4.21Å; R306-Y329 PolarHBondContact NE-O 2.91Å; R306-Y329 PolarHBondContact NH2-O 3.48Å; V307-Y329 PolarHBondContact O-N 3.02Å; Y329-C357 WeakPolarHBondContact CD2-O 3.33Å; Y329-C357 PolarHBondContact N-SG 3.36Å
330	R	94.4	Very high	95.6	Very high	125 Å²	125	66.6 Å²	66.6	47%	0.472	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	3	-171.1	-53.8	178.1	168.3	180	-2.5	116.9	E224 F328 Y332 C357	E224-R330 IonicContact OE1-CZ 3.63Å; E224-R330 IonicContact OE1-NE 2.87Å; E224-R330 IonicContact OE1-NH2 3.51Å; E224-R330 PolarHBondContact OE1-NH2 2.86Å; E224-R330 IonicContact OE2-CZ 2.69Å; E224-R330 IonicContact OE2-NH1 2.72Å; E224-R330 IonicContact OE2-NH2 3.5Å; E224-R330 PolarHBondContact OE2-NH2 2.85Å; F328-R330 PolarHBondContact O-N 2.92Å; R330-Y332 WeakPolarHBondContact O-CD2 3.37Å; R330-Y332 WeakPolarHBondContact O-CE2 3.19Å; R330-C357 PolarHBondContact N-O 2.88Å
331	D	96.8	Very high	95.6	Very high	36 Å²	36	68.3 Å²	68.3	19%	0.193	34%	0.337	C	S	.	.			trans	-71.9	145.2	165.9	-69.5	-13.2	0	0	0	110.1	R306 Y327 F328 M356 C357	R306-D331 IonicContact CZ-OD1 3.71Å; R306-D331 IonicContact NH1-OD1 3.77Å; R306-D331 PolarHBondContact NH1-OD1 2.8Å; R306-D331 IonicContact NH2-OD1 2.65Å; R306-D331 PolarHBondContact NH2-OD1 3.16Å; R306-D331 IonicContact NH2-OD2 3.47Å; Y327-D331 HydrophobicContact CD1-CB 4.44Å; F328-D331 PolarHBondContact N-OD2 2.77Å; F328-D331 WeakPolarHBondContact O-CB 3.27Å; F328-D331 VanDerWaalsContact O-CG 3.25Å; F328-D331 PolarHBondContact O-N 2.95Å; D331-M356 WeakPolarHBondContact O-CA 3.37Å; D331-C357 PolarHBondContact O-N 2.95Å
332	Y	97.3	Very high	95.6	Very high	114 Å²	114	68.1 Å²	68.1	45%	0.447	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.1	176.9	-72.3	-97.1	0	0	0	110.2	P322 R330 T355 M356	P322-Y332 WeakPolarHBondContact CD-O 3.4Å; R330-Y332 WeakPolarHBondContact O-CD2 3.37Å; R330-Y332 WeakPolarHBondContact O-CE2 3.19Å; Y332-T355 WeakPolarHBondContact CA-O 3.35Å; Y332-M356 HydrophobicContact CD1-CB 3.86Å; Y332-M356 HydrophobicContact CE1-CB 3.57Å; Y332-M356 HydrophobicContact CE1-CG 4.47Å; Y332-M356 HydrophobicContact CE2-CB 4.44Å; Y332-M356 HydrophobicContact CG-CB 4.41Å
333	I	97.2	Very high	95.7	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.5	165.3	62.5	176.5	0	0	0	109.9	P312 V320 Y327 S354 T355 W363 L367	P312-I333 HydrophobicContact CB-CD1 3.63Å; P312-I333 HydrophobicContact CG-CD1 3.91Å; P312-I333 HydrophobicContact CG-CG2 4.45Å; V320-I333 HydrophobicContact CG1-CB 3.92Å; V320-I333 HydrophobicContact CG1-CD1 3.98Å; V320-I333 HydrophobicContact CG1-CG1 4.4Å; V320-I333 HydrophobicContact CG1-CG2 4.32Å; Y327-I333 HydrophobicContact CD1-CG2 3.91Å; Y327-I333 HydrophobicContact CE1-CG2 3.4Å; Y327-I333 VanDerWaalsContact CE1-CG2 3.4Å; I333-S354 VanDerWaalsContact O-CA 3.22Å; I333-S354 WeakPolarHBondContact O-CA 3.09Å; I333-T355 HydrophobicContact CD1-CG2 3.6Å; I333-T355 HydrophobicContact CG1-CG2 3.36Å; I333-T355 PolarHBondContact N-O 2.9Å; I333-T355 PolarHBondContact O-N 3.08Å; I333-W363 HydrophobicContact CB-CH2 4.35Å; I333-W363 HydrophobicContact CB-CZ3 4.39Å; I333-W363 HydrophobicContact CD1-CD2 4.16Å; I333-W363 HydrophobicContact CD1-CE3 4.08Å; I333-W363 HydrophobicContact CD1-CH2 4.05Å; I333-W363 HydrophobicContact CD1-CZ2 4.1Å; I333-W363 HydrophobicContact CD1-CZ3 4.02Å; I333-W363 HydrophobicContact CG1-CE3 4.1Å; I333-W363 HydrophobicContact CG1-CH2 4.04Å; I333-W363 HydrophobicContact CG1-CZ3 3.75Å; I333-W363 HydrophobicContact CG2-CH2 3.55Å; I333-W363 HydrophobicContact CG2-CZ2 4.2Å; I333-W363 HydrophobicContact CG2-CZ3 4.04Å; I333-L367 HydrophobicContact CD1-CD2 3.98Å
334	F	96.9	Very high	95.9	Very high	103 Å²	103	62 Å²	62	45%	0.452	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.3	178.3	-56.8	-89.6	0	0	0	108.6	V320 T321 F353	V320-F334 CarbonylContact C-O 3.28Å; V320-F334 WeakPolarHBondContact CA-O 3.5Å; T321-F334 PolarHBondContact N-O 3.3Å; T321-F334 WeakPolarHBondContact O-CD2 3.37Å; T321-F334 PolarHBondContact O-N 3.48Å; F334-F353 WeakPolarHBondContact CA-O 3.23Å
335	V	96.8	Very high	96	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131	175.7	-176.1	0	0	0	0	109.1	V315 K319 V320 L343 F353 L367 P368	V315-V335 HydrophobicContact CB-CG1 4.29Å; V315-V335 HydrophobicContact CG1-CG1 4.11Å; V315-V335 HydrophobicContact CG2-CG1 3.92Å; V315-V335 HydrophobicContact CG2-CG2 4.48Å; K319-V335 WeakPolarHBondContact O-CA 3.32Å; V320-V335 HydrophobicContact CG2-CG2 4.2Å; V335-L343 HydrophobicContact CB-CD2 4.33Å; V335-L343 HydrophobicContact CG1-CD2 3.9Å; V335-F353 HydrophobicContact CB-CB 4.44Å; V335-F353 HydrophobicContact CB-CD1 3.78Å; V335-F353 HydrophobicContact CB-CG 4.49Å; V335-F353 HydrophobicContact CG2-CD1 3.58Å; V335-F353 HydrophobicContact CG2-CE1 3.91Å; V335-F353 PolarHBondContact N-O 3.23Å; V335-L367 HydrophobicContact CG2-CD2 3.97Å; V335-P368 HydrophobicContact CB-CG 3.97Å; V335-P368 HydrophobicContact CG1-CG 3.93Å; V335-P368 HydrophobicContact CG2-CG 4.24Å
336	R	95.6	Very high	95.9	Very high	132 Å²	132	61 Å²	61	50%	0.498	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.4	173.4	61.3	-176	178.2	108.1	-8.9	109.5	G318 K319	G318-R336 CarbonylContact C-O 3.54Å; G318-R336 WeakPolarHBondContact CA-O 3.08Å; K319-R336 HydrophobicContact CB-CG 4.08Å; K319-R336 PolarHBondContact N-O 2.97Å; K319-R336 PolarHBondContact O-N 3.22Å
337	C	96.8	Very high	95.8	Very high	24 Å²	24	58.9 Å²	58.9	16%	0.162	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	157.7	172.4	-61.1	0	0	0	0	111.3	K342 L343 C370	C337-K342 VanDerWaalsContact SG-C 3.51Å; C337-L343 WeakPolarHBondContact SG-CD2 3.34Å; C337-L343 VanDerWaalsContact SG-CG 3.58Å; C337-C370 WeakPolarHBondContact CA-SG 3.32Å; C337-C370 HydrophobicContact CB-CB 3.82Å; C337-C370 WeakPolarHBondContact CB-SG 3.35Å; C337-C370 VanDerWaalsContact SG-CA 3.53Å; C337-C370 WeakPolarHBondContact SG-CB 3.2Å; C337-C370 CovalentContact SG-SG 2.04Å; C337-C370 PolarHBondContact SG-SG 3.28Å
338	D	96.4	Very high	95.7	Very high	52 Å²	52	63.1 Å²	63.1	28%	0.278	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-65.5	162.2	168.6	-67.9	-32.3	0	0	0	110.1	K317 K319 G340 Y341	K317-D338 VanDerWaalsContact C-OD2 3.3Å; K317-D338 WeakPolarHBondContact CA-OD2 3.29Å; K317-D338 PolarHBondContact O-N 3.08Å; K319-D338 WeakPolarHBondContact CE-OD1 3.34Å; D338-G340 PolarHBondContact O-N 2.55Å; D338-Y341 HydrophobicContact CB-CD2 4.39Å; D338-Y341 WeakPolarHBondContact O-CB 3.15Å; D338-Y341 PolarHBondContact O-N 3.43Å; D338-Y341 VanDerWaalsContact O-N 3.07Å
339	E	95.3	Very high	95.7	Very high	148 Å²	148	63.5 Å²	63.5	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	135.8	178	-172.1	173.1	-176.5	0	0	111.2	Y341 A423	E339-Y341 VanDerWaalsContact C-N 3.32Å; E339-A423 HydrophobicContact CG-CB 4.16Å
340	G	94.8	Very high	95.6	Very high	3 Å²	3	65 Å²	65	3%	0.031	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	2.7	-174.6	0	0	0	0	0	115.4	D338 I373	D338-G340 PolarHBondContact O-N 2.55Å; G340-I373 WeakPolarHBondContact O-CB 3.43Å; G340-I373 WeakPolarHBondContact O-CG1 3.03Å; G340-I373 PolarHBondContact O-N 3.02Å
341	Y	96.2	Very high	95.5	Very high	61 Å²	61	68.4 Å²	68.4	24%	0.239	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.5	175.5	-69.2	-101.2	0	0	0	111.3	K317 D338 E339 C370 H371 I372	K317-Y341 HydrophobicContact CB-CD1 3.69Å; K317-Y341 HydrophobicContact CB-CD2 4.11Å; K317-Y341 HydrophobicContact CB-CE1 3.69Å; K317-Y341 HydrophobicContact CB-CE2 4.09Å; K317-Y341 HydrophobicContact CB-CG 3.93Å; K317-Y341 HydrophobicContact CD-CE1 4.3Å; K317-Y341 HydrophobicContact CD-CE2 3.98Å; K317-Y341 WeakPolarHBondContact CE-OH 3.44Å; K317-Y341 HydrophobicContact CG-CD1 4.14Å; K317-Y341 HydrophobicContact CG-CE1 3.59Å; K317-Y341 HydrophobicContact CG-CE2 4.1Å; D338-Y341 HydrophobicContact CB-CD2 4.39Å; D338-Y341 WeakPolarHBondContact O-CB 3.15Å; D338-Y341 PolarHBondContact O-N 3.43Å; D338-Y341 VanDerWaalsContact O-N 3.07Å; E339-Y341 VanDerWaalsContact C-N 3.32Å; Y341-C370 HydrophobicContact CD1-CB 4.46Å; Y341-H371 CarbonylContact C-O 3.44Å; Y341-H371 VanDerWaalsContact CA-O 3.24Å; Y341-H371 WeakPolarHBondContact CA-O 3.04Å; Y341-H371 VanDerWaalsContact CD1-C 3.47Å; Y341-I372 HydrophobicContact CD1-CB 4.17Å; Y341-I372 HydrophobicContact CE1-CB 3.85Å; Y341-I372 HydrophobicContact CE1-CG1 4.38Å
342	K	95.3	Very high	95.4	Very high	50 Å²	50	69 Å²	69	22%	0.217	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.9	-179.6	57.8	175.1	-175.1	176.3	0	111.4	C337 M344 E349 C370 H371 I373	C337-K342 VanDerWaalsContact SG-C 3.51Å; K342-M344 HydrophobicContact CD-SD 4.05Å; K342-M344 HydrophobicContact CG-CG 4.4Å; K342-M344 HydrophobicContact CG-SD 4.25Å; K342-E349 HydrophobicContact CB-CG 4.43Å; K342-E349 HydrophobicContact CD-CG 4.03Å; K342-E349 VanDerWaalsContact CD-OE2 3.22Å; K342-E349 WeakPolarHBondContact CD-OE2 3.32Å; K342-E349 IonicContact NZ-OE2 3.54Å; K342-E349 PolarHBondContact NZ-OE2 3.47Å; K342-E349 VanDerWaalsContact NZ-OE2 3.09Å; K342-C370 WeakPolarHBondContact O-CA 3.32Å; K342-H371 HydrophobicContact CG-CB 4.5Å; K342-H371 WeakPolarHBondContact CG-O 3.39Å; K342-H371 PolarHBondContact N-O 3.4Å; K342-H371 PolarHBondContact O-N 2.84Å; K342-I373 HydrophobicContact CB-CG1 4.2Å; K342-I373 HydrophobicContact CG-CG1 4.33Å
343	L	97	Very high	95.4	Very high	16 Å²	16	64.3 Å²	64.3	8%	0.084	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.4	177.6	-74.4	164.1	0	0	0	110.1	V335 C337 E349 L350 F353 P368	V335-L343 HydrophobicContact CB-CD2 4.33Å; V335-L343 HydrophobicContact CG1-CD2 3.9Å; C337-L343 WeakPolarHBondContact SG-CD2 3.34Å; C337-L343 VanDerWaalsContact SG-CG 3.58Å; L343-E349 WeakPolarHBondContact O-CA 3.42Å; L343-L350 HydrophobicContact CB-CB 4.12Å; L343-L350 PolarHBondContact O-N 2.89Å; L343-F353 HydrophobicContact CD1-CB 4.32Å; L343-P368 HydrophobicContact CD2-CB 4.39Å; L343-P368 HydrophobicContact CD2-CG 3.9Å
344	M	96.6	Very high	95.4	Very high	23 Å²	23	67 Å²	67	11%	0.113	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.5	178	-59.9	-63.6	-62.1	0	0	110.1	K342 G347 V348 E349 P368 E369 H371	K342-M344 HydrophobicContact CD-SD 4.05Å; K342-M344 HydrophobicContact CG-CG 4.4Å; K342-M344 HydrophobicContact CG-SD 4.25Å; M344-G347 WeakPolarHBondContact CE-O 3.46Å; M344-V348 WeakPolarHBondContact CA-O 3.45Å; M344-E349 HydrophobicContact CE-CB 4.35Å; M344-E349 VanDerWaalsContact SD-CA 3.54Å; M344-E349 HydrophobicContact SD-CB 3.63Å; M344-E349 HydrophobicContact SD-CG 3.84Å; M344-P368 WeakPolarHBondContact O-CB 3.37Å; M344-E369 PolarHBondContact N-O 3.41Å; M344-E369 PolarHBondContact O-N 2.81Å; M344-H371 HydrophobicContact CG-CB 3.84Å
345	M	95.3	Very high	95.4	Very high	31 Å²	31	62.2 Å²	62.2	15%	0.153	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128	171.1	178.8	169.2	-86.1	0	0	108.4	G347 V348 L350 F353 P366 P368	M345-G347 PolarHBondContact O-N 2.84Å; M345-G347 VanDerWaalsContact O-N 3.12Å; M345-V348 PolarHBondContact N-O 2.86Å; M345-V348 PolarHBondContact O-N 2.8Å; M345-L350 HydrophobicContact CB-CD1 3.75Å; M345-L350 HydrophobicContact CB-CG 4.38Å; M345-F353 HydrophobicContact CE-CD2 4.01Å; M345-F353 HydrophobicContact CE-CE2 3.33Å; M345-F353 HydrophobicContact CE-CZ 4.02Å; M345-F353 HydrophobicContact SD-CE2 4.13Å; M345-P366 HydrophobicContact CE-CG 4.36Å; M345-P366 WeakPolarHBondContact CE-O 3.4Å; M345-P368 HydrophobicContact CB-CB 4.42Å; M345-P368 HydrophobicContact CE-CB 4.09Å
346	D	92.4	Very high	95.4	Very high	158 Å²	158	64.1 Å²	64.1	85%	0.845	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.8	-179.2	-57.5	-36.9	0	0	0	114	V348	D346-V348 VanDerWaalsContact C-N 3.27Å; D346-V348 PolarHBondContact O-N 3.22Å
347	G	91.9	Very high	95.5	Very high	68 Å²	68	57.8 Å²	57.8	70%	0.701	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	1.6	-178.7	0	0	0	0	0	115.3	M344 M345	M344-G347 WeakPolarHBondContact CE-O 3.46Å; M345-G347 PolarHBondContact O-N 2.84Å; M345-G347 VanDerWaalsContact O-N 3.12Å
348	V	94.5	Very high	95.5	Very high	92 Å²	92	59.6 Å²	59.6	56%	0.558	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	137	178.6	-176.4	0	0	0	0	110.4	M344 M345 D346	M344-V348 WeakPolarHBondContact CA-O 3.45Å; M345-V348 PolarHBondContact N-O 2.86Å; M345-V348 PolarHBondContact O-N 2.8Å; D346-V348 VanDerWaalsContact C-N 3.27Å; D346-V348 PolarHBondContact O-N 3.22Å
349	E	95.4	Very high	95.4	Very high	69 Å²	69	59.4 Å²	59.4	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.3	176.9	-167.6	-175.9	129.6	0	0	111.6	K342 L343 M344 R425	K342-E349 HydrophobicContact CB-CG 4.43Å; K342-E349 HydrophobicContact CD-CG 4.03Å; K342-E349 VanDerWaalsContact CD-OE2 3.22Å; K342-E349 WeakPolarHBondContact CD-OE2 3.32Å; K342-E349 IonicContact NZ-OE2 3.54Å; K342-E349 PolarHBondContact NZ-OE2 3.47Å; K342-E349 VanDerWaalsContact NZ-OE2 3.09Å; L343-E349 WeakPolarHBondContact O-CA 3.42Å; M344-E349 HydrophobicContact CE-CB 4.35Å; M344-E349 VanDerWaalsContact SD-CA 3.54Å; M344-E349 HydrophobicContact SD-CB 3.63Å; M344-E349 HydrophobicContact SD-CG 3.84Å; E349-R425 VanDerWaalsContact CD-NH1 3.32Å; E349-R425 IonicContact OE1-CZ 3.2Å; E349-R425 IonicContact OE1-NH1 3.4Å; E349-R425 PolarHBondContact OE1-NH1 3.02Å; E349-R425 IonicContact OE1-NH2 2.65Å; E349-R425 PolarHBondContact OE1-NH2 2.77Å; E349-R425 IonicContact OE2-CZ 3.83Å; E349-R425 IonicContact OE2-NH1 3.71Å; E349-R425 PolarHBondContact OE2-NH1 3.19Å; E349-R425 IonicContact OE2-NH2 2.65Å; E349-R425 PolarHBondContact OE2-NH2 2.83Å
350	L	95.6	Very high	95.3	Very high	53 Å²	53	56.7 Å²	56.7	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142	-178.2	-55.7	-179.5	0	0	0	111.6	L343 M345 G352 F353	L343-L350 HydrophobicContact CB-CB 4.12Å; L343-L350 PolarHBondContact O-N 2.89Å; M345-L350 HydrophobicContact CB-CD1 3.75Å; M345-L350 HydrophobicContact CB-CG 4.38Å; L350-G352 VanDerWaalsContact C-N 3.34Å; L350-F353 HydrophobicContact CD1-CD2 4.16Å
351	M	92.4	Very high	95.2	Very high	195 Å²	195	57.2 Å²	57.2	96%	0.961	33%	0.331	S	S	*	.	S	Bend	trans	-77.5	-21.8	172.9	-68.4	-66.2	-72.6	0	0	112.9
352	G	94.3	Very high	95.2	Very high	50 Å²	50	60.1 Å²	60.1	52%	0.515	35%	0.346	S	S	.	.			trans	-171	156.9	179.3	0	0	0	0	0	110.2	L350	L350-G352 VanDerWaalsContact C-N 3.34Å
353	F	96.7	Very high	95.2	Very high	15 Å²	15	59.7 Å²	59.7	7%	0.066	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.6	-179.2	177.9	-91.1	0	0	0	110.9	F334 V335 L343 M345 L350 T355 L365 P366 P368	F334-F353 WeakPolarHBondContact CA-O 3.23Å; V335-F353 HydrophobicContact CB-CB 4.44Å; V335-F353 HydrophobicContact CB-CD1 3.78Å; V335-F353 HydrophobicContact CB-CG 4.49Å; V335-F353 HydrophobicContact CG2-CD1 3.58Å; V335-F353 HydrophobicContact CG2-CE1 3.91Å; V335-F353 PolarHBondContact N-O 3.23Å; L343-F353 HydrophobicContact CD1-CB 4.32Å; M345-F353 HydrophobicContact CE-CD2 4.01Å; M345-F353 HydrophobicContact CE-CE2 3.33Å; M345-F353 HydrophobicContact CE-CZ 4.02Å; M345-F353 HydrophobicContact SD-CE2 4.13Å; L350-F353 HydrophobicContact CD1-CD2 4.16Å; F353-T355 HydrophobicContact CE1-CG2 3.76Å; F353-T355 HydrophobicContact CZ-CG2 3.94Å; F353-L365 HydrophobicContact CE2-CB 3.99Å; F353-L365 HydrophobicContact CE2-CD1 4Å; F353-L365 HydrophobicContact CZ-CB 3.96Å; F353-P366 WeakPolarHBondContact CZ-O 3.41Å; F353-P368 HydrophobicContact CB-CG 4.12Å; F353-P368 HydrophobicContact CD1-CG 3.79Å; F353-P368 HydrophobicContact CD2-CB 4.38Å; F353-P368 HydrophobicContact CD2-CG 4Å; F353-P368 VanDerWaalsContact CE1-CD 3.49Å; F353-P368 HydrophobicContact CE1-CG 4.19Å; F353-P368 HydrophobicContact CE2-CG 4.41Å; F353-P368 HydrophobicContact CG-CB 4.48Å; F353-P368 HydrophobicContact CG-CG 3.67Å; F353-P368 HydrophobicContact CZ-CG 4.48Å
354	S	96.8	Very high	95.2	Very high	57 Å²	57	63.9 Å²	63.9	40%	0.399	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.7	169.6	62.3	0	0	0	0	110.6	I333	I333-S354 VanDerWaalsContact O-CA 3.22Å; I333-S354 WeakPolarHBondContact O-CA 3.09Å
355	T	97.1	Very high	95.1	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.5	174.3	-176.3	0	0	0	0	109.8	Y332 I333 F353 W363 H364 L365	Y332-T355 WeakPolarHBondContact CA-O 3.35Å; I333-T355 HydrophobicContact CD1-CG2 3.6Å; I333-T355 HydrophobicContact CG1-CG2 3.36Å; I333-T355 PolarHBondContact N-O 2.9Å; I333-T355 PolarHBondContact O-N 3.08Å; F353-T355 HydrophobicContact CE1-CG2 3.76Å; F353-T355 HydrophobicContact CZ-CG2 3.94Å; T355-W363 HydrophobicContact CG2-CB 4.5Å; T355-W363 HydrophobicContact CG2-CD2 4.33Å; T355-W363 HydrophobicContact CG2-CE3 3.79Å; T355-W363 HydrophobicContact CG2-CZ3 4.45Å; T355-H364 PolarHBondContact OG1-N 3.12Å; T355-L365 PolarHBondContact OG1-N 3.15Å; T355-L365 PolarHBondContact OG1-O 3.38Å; T355-L365 VanDerWaalsContact OG1-O 3.1Å
356	M	97.3	Very high	95.1	Very high	47 Å²	47	68.7 Å²	68.7	23%	0.232	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.4	-177	67.5	174.9	-74.5	0	0	111.2	D331 Y332 Q358 W363 H364	D331-M356 WeakPolarHBondContact O-CA 3.37Å; Y332-M356 HydrophobicContact CD1-CB 3.86Å; Y332-M356 HydrophobicContact CE1-CB 3.57Å; Y332-M356 HydrophobicContact CE1-CG 4.47Å; Y332-M356 HydrophobicContact CE2-CB 4.44Å; Y332-M356 HydrophobicContact CG-CB 4.41Å; M356-Q358 HydrophobicContact CG-CG 4.41Å; M356-Q358 PolarHBondContact O-N 2.83Å; M356-W363 VanDerWaalsContact C-CE3 3.45Å; M356-H364 HydrophobicContact CG-CB 3.92Å; M356-H364 PolarHBondContact O-N 3.4Å
357	C	97.3	Very high	95.2	Very high	0 Å²	0	64 Å²	64	0%	0	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-71.7	117.2	169.2	176.6	0	0	0	0	109.2	C309 F328 Y329 R330 D331 W363	C309-C357 HydrophobicContact CB-CB 3.8Å; C309-C357 WeakPolarHBondContact CB-SG 3.42Å; C309-C357 WeakPolarHBondContact SG-CA 3.46Å; C309-C357 WeakPolarHBondContact SG-CB 3.2Å; C309-C357 CovalentContact SG-SG 2.02Å; C309-C357 PolarHBondContact SG-SG 2.85Å; F328-C357 WeakPolarHBondContact O-CB 3.22Å; Y329-C357 WeakPolarHBondContact CD2-O 3.33Å; Y329-C357 PolarHBondContact N-SG 3.36Å; R330-C357 PolarHBondContact N-O 2.88Å; D331-C357 PolarHBondContact O-N 2.95Å; C357-W363 HydrophobicContact CB-CE3 4.3Å; C357-W363 HydrophobicContact CB-CH2 4.19Å; C357-W363 HydrophobicContact CB-CZ3 3.98Å
358	Q	96.3	Very high	95.4	Very high	61 Å²	61	61 Å²	61	29%	0.285	34%	0.337	S	S	.	.			trans	-87.4	170	-175.7	-62.9	-172.4	-69.9	0	0	112.1	M356 N360 G361 E362 H364	M356-Q358 HydrophobicContact CG-CG 4.41Å; M356-Q358 PolarHBondContact O-N 2.83Å; Q358-N360 VanDerWaalsContact CB-OD1 3.28Å; Q358-N360 WeakPolarHBondContact CB-OD1 3.47Å; Q358-N360 PolarHBondContact O-N 2.87Å; Q358-G361 PolarHBondContact O-N 2.8Å; Q358-G361 VanDerWaalsContact O-N 3.13Å; Q358-E362 WeakPolarHBondContact CB-O 3.45Å; Q358-E362 PolarHBondContact N-O 3.33Å; Q358-H364 HydrophobicContact CG-CB 3.87Å; Q358-H364 PolarHBondContact NE2-CD2 2.99Å
359	S	94.4	Very high	95.5	Very high	48 Å²	48	62.5 Å²	62.5	34%	0.336	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.6	-178.3	51.6	0	0	0	0	114	S225 G361	S225-S359 VanDerWaalsContact C-CB 3.43Å; S225-S359 WeakPolarHBondContact O-CB 3.35Å; S359-G361 VanDerWaalsContact C-N 3.33Å
360	N	92.9	Very high	95.6	Very high	92 Å²	92	60 Å²	60	49%	0.492	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.5	174.7	68.6	-15.3	0	0	0	113.6	Q358 E362	Q358-N360 VanDerWaalsContact CB-OD1 3.28Å; Q358-N360 WeakPolarHBondContact CB-OD1 3.47Å; Q358-N360 PolarHBondContact O-N 2.87Å; N360-E362 VanDerWaalsContact C-N 3.34Å; N360-E362 PolarHBondContact ND2-OE2 3.14Å; N360-E362 VanDerWaalsContact ND2-OE2 3.14Å; N360-E362 PolarHBondContact OD1-N 2.83Å
361	G	93.1	Very high	95.6	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	33%	0.332	C	S	.	.	S	Bend	trans	80.6	11.7	-177.5	0	0	0	0	0	114.6	V307 C309 P310 Q358 S359	V307-G361 VanDerWaalsContact CG1-CA 3.47Å; C309-G361 PolarHBondContact SG-O 2.97Å; P310-G361 VanDerWaalsContact CD-O 3.24Å; P310-G361 WeakPolarHBondContact CD-O 3.44Å; Q358-G361 PolarHBondContact O-N 2.8Å; Q358-G361 VanDerWaalsContact O-N 3.13Å; S359-G361 VanDerWaalsContact C-N 3.33Å
362	E	95.8	Very high	95.8	Very high	122 Å²	122	54.5 Å²	54.5	57%	0.57	30%	0.299	S	S	*	.	S	Bend	trans	-109.1	156.6	175	-60.8	-178.2	156	0	0	111.4	Q358 N360	Q358-E362 WeakPolarHBondContact CB-O 3.45Å; Q358-E362 PolarHBondContact N-O 3.33Å; N360-E362 VanDerWaalsContact C-N 3.34Å; N360-E362 PolarHBondContact ND2-OE2 3.14Å; N360-E362 VanDerWaalsContact ND2-OE2 3.14Å; N360-E362 PolarHBondContact OD1-N 2.83Å
363	W	96.6	Very high	95.8	Very high	42 Å²	42	52.7 Å²	52.7	16%	0.159	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-77.2	134.1	170.6	-69.1	102.8	0	0	0	109.8	C309 P310 Y327 I333 T355 M356 C357 L365	C309-W363 HydrophobicContact CB-CZ2 4.14Å; P310-W363 PolarHBondContact O-NE1 2.61Å; Y327-W363 AromaticContact CD1-CH2 3.72Å; Y327-W363 HydrophobicContact CD1-CH2 3.72Å; Y327-W363 AromaticContact CD1-CZ2 3.96Å; Y327-W363 HydrophobicContact CD1-CZ2 3.96Å; Y327-W363 HydrophobicContact CD2-CZ2 4.31Å; Y327-W363 HydrophobicContact CE1-CH2 4.42Å; Y327-W363 AromaticContact CG-CH2 3.95Å; Y327-W363 HydrophobicContact CG-CH2 3.95Å; Y327-W363 AromaticContact CG-CZ2 3.76Å; Y327-W363 HydrophobicContact CG-CZ2 3.76Å; I333-W363 HydrophobicContact CB-CH2 4.35Å; I333-W363 HydrophobicContact CB-CZ3 4.39Å; I333-W363 HydrophobicContact CD1-CD2 4.16Å; I333-W363 HydrophobicContact CD1-CE3 4.08Å; I333-W363 HydrophobicContact CD1-CH2 4.05Å; I333-W363 HydrophobicContact CD1-CZ2 4.1Å; I333-W363 HydrophobicContact CD1-CZ3 4.02Å; I333-W363 HydrophobicContact CG1-CE3 4.1Å; I333-W363 HydrophobicContact CG1-CH2 4.04Å; I333-W363 HydrophobicContact CG1-CZ3 3.75Å; I333-W363 HydrophobicContact CG2-CH2 3.55Å; I333-W363 HydrophobicContact CG2-CZ2 4.2Å; I333-W363 HydrophobicContact CG2-CZ3 4.04Å; T355-W363 HydrophobicContact CG2-CB 4.5Å; T355-W363 HydrophobicContact CG2-CD2 4.33Å; T355-W363 HydrophobicContact CG2-CE3 3.79Å; T355-W363 HydrophobicContact CG2-CZ3 4.45Å; M356-W363 VanDerWaalsContact C-CE3 3.45Å; C357-W363 HydrophobicContact CB-CE3 4.3Å; C357-W363 HydrophobicContact CB-CH2 4.19Å; C357-W363 HydrophobicContact CB-CZ3 3.98Å; W363-L365 PolarHBondContact O-N 3.25Å
364	H	96.1	Very high	95.7	Very high	103 Å²	103	55.3 Å²	55.3	48%	0.477	29%	0.292	S	S	.	.	S	Bend	trans	-54.8	-37.7	-179.1	174.9	-120.2	0	0	0	113.8	T355 M356 Q358	T355-H364 PolarHBondContact OG1-N 3.12Å; M356-H364 HydrophobicContact CG-CB 3.92Å; M356-H364 PolarHBondContact O-N 3.4Å; Q358-H364 HydrophobicContact CG-CB 3.87Å; Q358-H364 PolarHBondContact NE2-CD2 2.99Å
365	L	95.3	Very high	95.6	Very high	61 Å²	61	53.5 Å²	53.5	32%	0.319	28%	0.279	S	S	.	.	S	Bend	trans	-130	144.8	176.6	-61.2	171.8	0	0	0	110.4	F353 T355 W363	F353-L365 HydrophobicContact CE2-CB 3.99Å; F353-L365 HydrophobicContact CE2-CD1 4Å; F353-L365 HydrophobicContact CZ-CB 3.96Å; T355-L365 PolarHBondContact OG1-N 3.15Å; T355-L365 PolarHBondContact OG1-O 3.38Å; T355-L365 VanDerWaalsContact OG1-O 3.1Å; W363-L365 PolarHBondContact O-N 3.25Å
366	P	94.6	Very high	95.3	Very high	95 Å²	95	54.8 Å²	54.8	62%	0.617	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-66.4	165.3	170.9	30.9	-35.6	0	0	0	111.2	M345 F353	M345-P366 HydrophobicContact CE-CG 4.36Å; M345-P366 WeakPolarHBondContact CE-O 3.4Å; F353-P366 WeakPolarHBondContact CZ-O 3.41Å
367	L	95.3	Very high	95	Very high	58 Å²	58	60.8 Å²	60.8	30%	0.304	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.9	137.5	178.3	-66.4	176.7	0	0	0	111.2	P312 G313 V315 I333 V335	P312-L367 HydrophobicContact CB-CD1 4.27Å; P312-L367 HydrophobicContact CB-CD2 4.38Å; G313-L367 VanDerWaalsContact O-CD1 3.31Å; G313-L367 WeakPolarHBondContact O-CD1 3.42Å; V315-L367 HydrophobicContact CG2-CB 4.24Å; V315-L367 HydrophobicContact CG2-CD1 4.13Å; I333-L367 HydrophobicContact CD1-CD2 3.98Å; V335-L367 HydrophobicContact CG2-CD2 3.97Å
368	P	96.7	Very high	94.6	Very high	7 Å²	7	61.8 Å²	61.8	5%	0.045	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-75.4	171.2	174.7	33.9	-37.2	0	0	0	111.5	V335 L343 M344 M345 F353	V335-P368 HydrophobicContact CB-CG 3.97Å; V335-P368 HydrophobicContact CG1-CG 3.93Å; V335-P368 HydrophobicContact CG2-CG 4.24Å; L343-P368 HydrophobicContact CD2-CB 4.39Å; L343-P368 HydrophobicContact CD2-CG 3.9Å; M344-P368 WeakPolarHBondContact O-CB 3.37Å; M345-P368 HydrophobicContact CB-CB 4.42Å; M345-P368 HydrophobicContact CE-CB 4.09Å; F353-P368 HydrophobicContact CB-CG 4.12Å; F353-P368 HydrophobicContact CD1-CG 3.79Å; F353-P368 HydrophobicContact CD2-CB 4.38Å; F353-P368 HydrophobicContact CD2-CG 4Å; F353-P368 VanDerWaalsContact CE1-CD 3.49Å; F353-P368 HydrophobicContact CE1-CG 4.19Å; F353-P368 HydrophobicContact CE2-CG 4.41Å; F353-P368 HydrophobicContact CG-CB 4.48Å; F353-P368 HydrophobicContact CG-CG 3.67Å; F353-P368 HydrophobicContact CZ-CG 4.48Å
369	E	96.8	Very high	94.2	Very high	122 Å²	122	66.4 Å²	66.4	57%	0.57	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	151.9	174.2	-60.7	-177.3	172.7	0	0	111.3	M344 H371	M344-E369 PolarHBondContact N-O 3.41Å; M344-E369 PolarHBondContact O-N 2.81Å; E369-H371 IonicContact OE2-CD2 3.22Å; E369-H371 IonicContact OE2-CE1 2.72Å; E369-H371 IonicContact OE2-NE2 3.68Å; E369-H371 PolarHBondContact OE2-NE2 3.44Å
370	C	97.1	Very high	93.9	Very high	16 Å²	16	70.2 Å²	70.2	11%	0.108	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.4	171.2	-71.3	0	0	0	0	109.7	A316 K317 C337 Y341 K342	A316-C370 WeakPolarHBondContact O-CB 3.11Å; K317-C370 HydrophobicContact CB-CB 4.32Å; K317-C370 WeakPolarHBondContact O-CB 3.41Å; C337-C370 WeakPolarHBondContact CA-SG 3.32Å; C337-C370 HydrophobicContact CB-CB 3.82Å; C337-C370 WeakPolarHBondContact CB-SG 3.35Å; C337-C370 VanDerWaalsContact SG-CA 3.53Å; C337-C370 WeakPolarHBondContact SG-CB 3.2Å; C337-C370 CovalentContact SG-SG 2.04Å; C337-C370 PolarHBondContact SG-SG 3.28Å; Y341-C370 HydrophobicContact CD1-CB 4.46Å; K342-C370 WeakPolarHBondContact O-CA 3.32Å
371	H	95.6	Very high	93.7	Very high	82 Å²	82	67 Å²	67	38%	0.38	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.8	177.9	-70.6	-169.4	0	0	0	110	Y341 K342 M344 E369	Y341-H371 CarbonylContact C-O 3.44Å; Y341-H371 VanDerWaalsContact CA-O 3.24Å; Y341-H371 WeakPolarHBondContact CA-O 3.04Å; Y341-H371 VanDerWaalsContact CD1-C 3.47Å; K342-H371 HydrophobicContact CG-CB 4.5Å; K342-H371 WeakPolarHBondContact CG-O 3.39Å; K342-H371 PolarHBondContact N-O 3.4Å; K342-H371 PolarHBondContact O-N 2.84Å; M344-H371 HydrophobicContact CG-CB 3.84Å; E369-H371 IonicContact OE2-CD2 3.22Å; E369-H371 IonicContact OE2-CE1 2.72Å; E369-H371 IonicContact OE2-NE2 3.68Å; E369-H371 PolarHBondContact OE2-NE2 3.44Å
372	I	95.3	Very high	93.5	Very high	52 Å²	52	72.9 Å²	72.9	27%	0.267	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.9	178.6	-166.7	162.3	0	0	0	110.3	Y341 Q395	Y341-I372 HydrophobicContact CD1-CB 4.17Å; Y341-I372 HydrophobicContact CE1-CB 3.85Å; Y341-I372 HydrophobicContact CE1-CG1 4.38Å; I372-Q395 HydrophobicContact CD1-CB 3.98Å; I372-Q395 HydrophobicContact CG1-CB 4.3Å; I372-Q395 HydrophobicContact CG2-CB 4.36Å; I372-Q395 HydrophobicContact CG2-CG 3.91Å
373	I	95.8	Very high	93.4	Very high	11 Å²	11	68.7 Å²	68.7	6%	0.056	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-70.3	144	175.1	-72	174	0	0	0	109.9	G340 K342 Q395 Y396 A423 R425	G340-I373 WeakPolarHBondContact O-CB 3.43Å; G340-I373 WeakPolarHBondContact O-CG1 3.03Å; G340-I373 PolarHBondContact O-N 3.02Å; K342-I373 HydrophobicContact CB-CG1 4.2Å; K342-I373 HydrophobicContact CG-CG1 4.33Å; I373-Q395 CarbonylContact O-C 3.24Å; I373-Q395 WeakPolarHBondContact O-CA 3.24Å; I373-Y396 PolarHBondContact O-N 2.75Å; I373-A423 WeakPolarHBondContact CD1-O 3.3Å; I373-R425 HydrophobicContact CG2-CB 4.36Å; I373-R425 HydrophobicContact CG2-CG 3.76Å
374	D	94	Very high	93.1	Very high	71 Å²	71	67.7 Å²	67.7	38%	0.38	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-119.9	129.4	173.8	-169.5	-55.8	0	0	0	108.3	G376 N394	D374-G376 VanDerWaalsContact C-N 3.31Å; D374-G376 WeakPolarHBondContact OD1-CA 3.5Å; D374-G376 PolarHBondContact OD1-N 2.99Å; D374-N394 WeakPolarHBondContact CA-O 3.39Å; D374-N394 WeakPolarHBondContact OD1-CB 3.04Å
375	C	93.6	Very high	92.8	Very high	18 Å²	18	63.6 Å²	63.6	12%	0.122	35%	0.353	C	S	.	.			trans	-84.6	-1.6	-179.5	-70.7	0	0	0	0	113.9	N394 C421 R425 W427	C375-N394 PolarHBondContact N-O 2.82Å; C375-C421 HydrophobicContact CB-CB 3.81Å; C375-C421 WeakPolarHBondContact CB-SG 3.09Å; C375-C421 WeakPolarHBondContact SG-CA 3Å; C375-C421 WeakPolarHBondContact SG-CB 3.2Å; C375-C421 CovalentContact SG-SG 2.02Å; C375-C421 PolarHBondContact SG-SG 3.45Å; C375-R425 VanDerWaalsContact SG-C 3.55Å; C375-W427 HydrophobicContact CB-CD2 4.3Å; C375-W427 HydrophobicContact CB-CG 4.37Å; C375-W427 HydrophobicContact CB-CZ2 4.32Å
376	G	92	Very high	92.5	Very high	30 Å²	30	62.7 Å²	62.7	31%	0.309	35%	0.349	S	S	.	.			trans	72.4	178.4	-169.3	0	0	0	0	0	112.5	D374 N394 W427	D374-G376 VanDerWaalsContact C-N 3.31Å; D374-G376 WeakPolarHBondContact OD1-CA 3.5Å; D374-G376 PolarHBondContact OD1-N 2.99Å; G376-N394 WeakPolarHBondContact O-CB 3.02Å; G376-N394 VanDerWaalsContact O-CG 3.22Å; G376-N394 PolarHBondContact O-ND2 2.86Å; G376-W427 PolarHBondContact O-NE1 2.8Å
377	E	91.1	Very high	92.3	Very high	173 Å²	173	61.8 Å²	61.8	81%	0.808	34%	0.339	S	S	*	.	S	Bend	trans	-63.8	134.4	177.5	-66.5	-174.9	169.8	0	0	110.8
378	P	88.4	Confident	92	Very high	20 Å²	20	64.1 Å²	64.1	13%	0.13	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-55.8	149	171.1	-21.5	30.1	0	0	0	111.6	V386 V400 W427	P378-V386 HydrophobicContact CB-CG2 4.4Å; P378-V386 HydrophobicContact CG-CG1 4.32Å; P378-V400 HydrophobicContact CB-CG2 4.46Å; P378-V400 HydrophobicContact CG-CG1 4.09Å; P378-V400 HydrophobicContact CG-CG2 4.12Å; P378-W427 HydrophobicContact CG-CD2 4.28Å; P378-W427 HydrophobicContact CG-CH2 4.41Å; P378-W427 HydrophobicContact CG-CZ2 3.78Å
379	E	87.1	Confident	91.6	Very high	159 Å²	159	68.3 Å²	68.3	74%	0.743	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-57.8	133.7	178.1	-68.8	-171.7	167.9	0	0	110.8	L381 Y402	E379-L381 PolarHBondContact O-N 3.36Å; E379-Y402 PolarHBondContact N-OH 2.88Å; E379-Y402 VanDerWaalsContact O-CE1 3.23Å; E379-Y402 WeakPolarHBondContact O-CE1 3.31Å; E379-Y402 PolarHBondContact O-OH 2.9Å
380	P	88.8	Confident	91.1	Very high	128 Å²	128	65.4 Å²	65.4	83%	0.831	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-67.1	133.1	-179.1	26.3	-33.4	0	0	0	111
381	L	88.5	Confident	90.3	Very high	23 Å²	23	67.3 Å²	67.3	12%	0.12	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-92.7	116.6	175.4	178.1	59.3	0	0	0	110.3	E379 N383 G384 Y402 P437 C439	E379-L381 PolarHBondContact O-N 3.36Å; L381-N383 PolarHBondContact O-N 3.25Å; L381-G384 CarbonylContact O-C 3.35Å; L381-G384 PolarHBondContact O-N 3.41Å; L381-G384 VanDerWaalsContact O-N 3.14Å; L381-Y402 HydrophobicContact CB-CD1 3.48Å; L381-Y402 VanDerWaalsContact CB-CD1 3.48Å; L381-Y402 HydrophobicContact CB-CE1 3.66Å; L381-Y402 HydrophobicContact CD2-CD1 3.54Å; L381-Y402 HydrophobicContact CD2-CE1 4.49Å; L381-Y402 HydrophobicContact CD2-CG 4.06Å; L381-Y402 HydrophobicContact CG-CD1 4.11Å; L381-P437 HydrophobicContact CD1-CB 4.28Å; L381-P437 HydrophobicContact CD1-CG 4.44Å; L381-P437 VanDerWaalsContact CD1-O 3.26Å; L381-P437 WeakPolarHBondContact CD1-O 3.38Å; L381-P437 HydrophobicContact CD2-CB 4.36Å; L381-C439 VanDerWaalsContact CD2-SG 3.59Å
382	L	90.1	Very high	89.6	Confident	138 Å²	138	70.9 Å²	70.9	72%	0.723	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.3	175.2	-174.7	67.2	0	0	0	110.2	G384	L382-G384 PolarHBondContact O-N 3.31Å
383	N	91.9	Very high	89.2	Confident	34 Å²	34	74.6 Å²	74.6	18%	0.182	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	28.6	-176.8	-56	-44.6	0	0	0	114.3	L381 N405 Y409 C439	L381-N383 PolarHBondContact O-N 3.25Å; N383-N405 WeakPolarHBondContact O-CB 3.36Å; N383-N405 PolarHBondContact O-N 2.89Å; N383-Y409 HydrophobicContact CB-CD1 3.62Å; N383-Y409 HydrophobicContact CB-CD2 3.74Å; N383-Y409 HydrophobicContact CB-CE1 3.59Å; N383-Y409 HydrophobicContact CB-CE2 3.7Å; N383-Y409 HydrophobicContact CB-CG 3.69Å; N383-Y409 WeakPolarHBondContact ND2-CE1 3.33Å; N383-Y409 PolarHBondContact OD1-OH 3.5Å; N383-C439 HydrophobicContact CB-CB 4.13Å
384	G	91.1	Very high	89	Confident	20 Å²	20	75.2 Å²	75.2	21%	0.206	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	-163	176.6	0	0	0	0	0	112	L381 L382 H403	L381-G384 CarbonylContact O-C 3.35Å; L381-G384 PolarHBondContact O-N 3.41Å; L381-G384 VanDerWaalsContact O-N 3.14Å; L382-G384 PolarHBondContact O-N 3.31Å; G384-H403 CarbonylContact C-O 3.53Å; G384-H403 WeakPolarHBondContact CA-O 3.36Å
385	G	90.3	Very high	89	Confident	18 Å²	18	74.7 Å²	74.7	19%	0.186	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	-174	179.8	0	0	0	0	0	111.8	Y402 H403	G385-Y402 WeakPolarHBondContact O-CA 3.36Å; G385-H403 VanDerWaalsContact C-ND1 3.34Å; G385-H403 PolarHBondContact N-O 3.42Å; G385-H403 PolarHBondContact O-N 3.47Å; G385-H403 PolarHBondContact O-ND1 3.02Å
386	V	89.7	Confident	89	Confident	41 Å²	41	75.7 Å²	75.7	25%	0.248	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.9	-177.8	-176.6	0	0	0	0	109.3	P378 V400 Q401 Y402 H403	P378-V386 HydrophobicContact CB-CG2 4.4Å; P378-V386 HydrophobicContact CG-CG1 4.32Å; V386-V400 HydrophobicContact CG1-CB 3.49Å; V386-V400 VanDerWaalsContact CG1-CB 3.49Å; V386-V400 HydrophobicContact CG1-CG1 3.92Å; V386-V400 HydrophobicContact CG1-CG2 4.09Å; V386-Q401 WeakPolarHBondContact CA-O 3.44Å; V386-Y402 HydrophobicContact CG2-CD1 3.57Å; V386-Y402 HydrophobicContact CG2-CE1 3.28Å; V386-Y402 HydrophobicContact CG2-CG 4.39Å; V386-H403 PolarHBondContact N-CE1 2.02Å
387	N	89.6	Confident	89.1	Confident	76 Å²	76	78.9 Å²	78.9	41%	0.406	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.3	172.4	-66.7	-31.5	0	0	0	109.6	V400 Q401 H403	N387-V400 CarbonylContact O-C 3.58Å; N387-V400 VanDerWaalsContact O-CA 3.32Å; N387-V400 WeakPolarHBondContact O-CA 3.4Å; N387-Q401 PolarHBondContact N-O 3.45Å; N387-Q401 PolarHBondContact O-N 2.76Å; N387-H403 PolarHBondContact ND2-ND1 3.31Å; N387-H403 VanDerWaalsContact ND2-ND1 3.19Å; N387-H403 PolarHBondContact OD1-CE1 2.89Å; N387-H403 VanDerWaalsContact OD1-CE1 3.22Å
388	F	89	Confident	89.2	Confident	107 Å²	107	70.7 Å²	70.7	47%	0.469	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.5	171.6	-73	-90.9	0	0	0	109.5	Q393 V400	F388-Q393 WeakPolarHBondContact CE1-O 3.39Å; F388-V400 HydrophobicContact CD1-CG1 3.59Å; F388-V400 HydrophobicContact CE1-CG1 3.52Å; F388-V400 HydrophobicContact CG-CG1 4.23Å; F388-V400 HydrophobicContact CZ-CG1 4.14Å
389	L	87.4	Confident	89.3	Confident	95 Å²	95	70.8 Å²	70.8	50%	0.497	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-40.2	178.5	-65.6	-173.5	0	0	0	111.9	V399 Q401	L389-V399 HydrophobicContact CB-CB 4.39Å; L389-V399 HydrophobicContact CB-CG1 4.31Å; L389-V399 HydrophobicContact CD1-CG1 4.21Å; L389-V399 PolarHBondContact N-O 2.62Å; L389-Q401 HydrophobicContact CD1-CB 3.79Å; L389-Q401 HydrophobicContact CD2-CB 4.18Å; L389-Q401 HydrophobicContact CG-CB 3.85Å
390	S	86.3	Confident	89.5	Confident	61 Å²	61	63.2 Å²	63.2	43%	0.427	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	161.3	180	60.1	0	0	0	0	111.6	S398 V399	S390-S398 CarbonylContact O-C 3.58Å; S390-S398 WeakPolarHBondContact O-CA 3.41Å; S390-V399 PolarHBondContact N-O 3.43Å; S390-V399 PolarHBondContact O-N 3.35Å; S390-V399 WeakPolarHBondContact OG-CB 3.15Å; S390-V399 WeakPolarHBondContact OG-CG2 3.48Å
391	G	80.9	Confident	89.5	Confident	56 Å²	56	59.2 Å²	59.2	58%	0.577	32%	0.322	S	S	*	.	S	Bend	trans	92.2	-174.8	-179.1	0	0	0	0	0	113.3
392	F	81.6	Confident	89.4	Confident	157 Å²	157	59.1 Å²	59.1	69%	0.689	32%	0.32	S	S	*	.	S	Bend	trans	-113.7	104.6	-179.5	-121.7	-89.2	0	0	0	108.6	N394 Q395 S398	F392-N394 PolarHBondContact O-N 2.82Å; F392-Q395 WeakPolarHBondContact O-CB 3.47Å; F392-Q395 VanDerWaalsContact O-CG 3.23Å; F392-Q395 WeakPolarHBondContact O-CG 3.22Å; F392-Q395 PolarHBondContact O-N 3.18Å; F392-S398 PolarHBondContact N-OG 3.37Å; F392-S398 PolarHBondContact O-OG 2.94Å
393	Q	85.3	Confident	89.4	Confident	131 Å²	131	55.8 Å²	55.8	61%	0.612	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	-127.4	-178.5	-58.5	179.2	-30.1	0	0	111.2	F388 Q395 S398	F388-Q393 WeakPolarHBondContact CE1-O 3.39Å; Q393-Q395 PolarHBondContact O-N 3.35Å; Q393-S398 WeakPolarHBondContact O-CB 3.44Å; Q393-S398 PolarHBondContact O-OG 2.87Å
394	N	91.5	Very high	89.4	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.123	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15.5	-172.5	-54.2	-28.8	0	0	0	113.6	D374 C375 G376 F392 C421 W427	D374-N394 WeakPolarHBondContact CA-O 3.39Å; D374-N394 WeakPolarHBondContact OD1-CB 3.04Å; C375-N394 PolarHBondContact N-O 2.82Å; G376-N394 WeakPolarHBondContact O-CB 3.02Å; G376-N394 VanDerWaalsContact O-CG 3.22Å; G376-N394 PolarHBondContact O-ND2 2.86Å; F392-N394 PolarHBondContact O-N 2.82Å; N394-C421 PolarHBondContact O-SG 2.74Å; N394-W427 HydrophobicContact CB-CZ2 4.01Å
395	Q	94.3	Very high	89.5	Confident	60 Å²	60	57 Å²	57	28%	0.28	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-71.4	159.4	-176.8	-65.7	177.4	1.4	0	0	112.5	I372 I373 F392 Q393 L397 S398 C421	I372-Q395 HydrophobicContact CD1-CB 3.98Å; I372-Q395 HydrophobicContact CG1-CB 4.3Å; I372-Q395 HydrophobicContact CG2-CB 4.36Å; I372-Q395 HydrophobicContact CG2-CG 3.91Å; I373-Q395 CarbonylContact O-C 3.24Å; I373-Q395 WeakPolarHBondContact O-CA 3.24Å; F392-Q395 WeakPolarHBondContact O-CB 3.47Å; F392-Q395 VanDerWaalsContact O-CG 3.23Å; F392-Q395 WeakPolarHBondContact O-CG 3.22Å; F392-Q395 PolarHBondContact O-N 3.18Å; Q393-Q395 PolarHBondContact O-N 3.35Å; Q395-L397 PolarHBondContact O-N 2.72Å; Q395-S398 WeakPolarHBondContact O-CB 3.37Å; Q395-S398 PolarHBondContact O-N 3.47Å; Q395-S398 PolarHBondContact O-OG 3.05Å; Q395-S398 VanDerWaalsContact O-OG 3.08Å; Q395-C421 VanDerWaalsContact C-SG 3.57Å; Q395-C421 WeakPolarHBondContact O-CB 3.37Å; Q395-C421 PolarHBondContact O-SG 2.87Å
396	Y	94.6	Very high	89.6	Confident	39 Å²	39	63 Å²	63	15%	0.153	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	134.4	174.8	176.5	-118.4	0	0	0	112.3	I373 S398 C421 A423	I373-Y396 PolarHBondContact O-N 2.75Å; Y396-S398 PolarHBondContact O-N 2.84Å; Y396-C421 VanDerWaalsContact CD2-O 3.29Å; Y396-C421 WeakPolarHBondContact CD2-O 3.42Å; Y396-A423 HydrophobicContact CD2-CB 4.4Å; Y396-A423 HydrophobicContact CE2-CB 3.91Å
397	L	92.9	Very high	89.8	Confident	98 Å²	98	64.6 Å²	64.6	51%	0.513	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	5	-172.6	-55	173.3	0	0	0	115.9	Q395 C421	Q395-L397 PolarHBondContact O-N 2.72Å; L397-C421 PolarHBondContact N-O 2.9Å
398	S	93.9	Very high	90	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.			trans	-62.6	142.6	164.5	-72.9	0	0	0	0	110.5	S390 F392 Q393 Q395 Y396 T420 C421 W427	S390-S398 CarbonylContact O-C 3.58Å; S390-S398 WeakPolarHBondContact O-CA 3.41Å; F392-S398 PolarHBondContact N-OG 3.37Å; F392-S398 PolarHBondContact O-OG 2.94Å; Q393-S398 WeakPolarHBondContact O-CB 3.44Å; Q393-S398 PolarHBondContact O-OG 2.87Å; Q395-S398 WeakPolarHBondContact O-CB 3.37Å; Q395-S398 PolarHBondContact O-N 3.47Å; Q395-S398 PolarHBondContact O-OG 3.05Å; Q395-S398 VanDerWaalsContact O-OG 3.08Å; Y396-S398 PolarHBondContact O-N 2.84Å; S398-T420 CarbonylContact O-C 3.53Å; S398-T420 WeakPolarHBondContact O-CA 3.43Å; S398-C421 PolarHBondContact O-N 3.42Å; S398-W427 WeakPolarHBondContact O-CZ3 3.5Å
399	V	91.8	Very high	90.2	Very high	23 Å²	23	58 Å²	58	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.4	179.8	-176.5	0	0	0	0	109.2	L389 S390 L419 T420	L389-V399 HydrophobicContact CB-CB 4.39Å; L389-V399 HydrophobicContact CB-CG1 4.31Å; L389-V399 HydrophobicContact CD1-CG1 4.21Å; L389-V399 PolarHBondContact N-O 2.62Å; S390-V399 PolarHBondContact N-O 3.43Å; S390-V399 PolarHBondContact O-N 3.35Å; S390-V399 WeakPolarHBondContact OG-CB 3.15Å; S390-V399 WeakPolarHBondContact OG-CG2 3.48Å; V399-L419 CarbonylContact C-O 3.58Å; V399-L419 WeakPolarHBondContact CA-O 3.42Å; V399-T420 HydrophobicContact CG2-CG2 4.2Å
400	V	90	Very high	90.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.6	177.7	-64.2	0	0	0	0	111	P378 V386 N387 F388 S418 L419 W427	P378-V400 HydrophobicContact CB-CG2 4.46Å; P378-V400 HydrophobicContact CG-CG1 4.09Å; P378-V400 HydrophobicContact CG-CG2 4.12Å; V386-V400 HydrophobicContact CG1-CB 3.49Å; V386-V400 VanDerWaalsContact CG1-CB 3.49Å; V386-V400 HydrophobicContact CG1-CG1 3.92Å; V386-V400 HydrophobicContact CG1-CG2 4.09Å; N387-V400 CarbonylContact O-C 3.58Å; N387-V400 VanDerWaalsContact O-CA 3.32Å; N387-V400 WeakPolarHBondContact O-CA 3.4Å; F388-V400 HydrophobicContact CD1-CG1 3.59Å; F388-V400 HydrophobicContact CE1-CG1 3.52Å; F388-V400 HydrophobicContact CG-CG1 4.23Å; F388-V400 HydrophobicContact CZ-CG1 4.14Å; V400-S418 CarbonylContact O-C 3.55Å; V400-S418 WeakPolarHBondContact O-CA 3.24Å; V400-L419 HydrophobicContact CG2-CB 3.92Å; V400-L419 PolarHBondContact N-O 3.08Å; V400-L419 PolarHBondContact O-N 3.07Å; V400-W427 HydrophobicContact CB-CZ3 4.15Å; V400-W427 HydrophobicContact CG1-CE3 4.46Å; V400-W427 HydrophobicContact CG1-CH2 3.55Å; V400-W427 HydrophobicContact CG1-CZ2 4.33Å; V400-W427 HydrophobicContact CG1-CZ3 3.63Å; V400-W427 HydrophobicContact CG2-CD2 4.31Å; V400-W427 HydrophobicContact CG2-CE3 3.65Å; V400-W427 HydrophobicContact CG2-CH2 4.28Å; V400-W427 HydrophobicContact CG2-CZ3 3.64Å
401	Q	88.6	Confident	90.5	Very high	43 Å²	43	55.1 Å²	55.1	20%	0.201	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.8	178	-174.9	-177.4	42.5	0	0	110.6	V386 N387 L389 N416	V386-Q401 WeakPolarHBondContact CA-O 3.44Å; N387-Q401 PolarHBondContact N-O 3.45Å; N387-Q401 PolarHBondContact O-N 2.76Å; L389-Q401 HydrophobicContact CD1-CB 3.79Å; L389-Q401 HydrophobicContact CD2-CB 4.18Å; L389-Q401 HydrophobicContact CG-CB 3.85Å; Q401-N416 VanDerWaalsContact NE2-CG 3.31Å; Q401-N416 PolarHBondContact NE2-OD1 3.2Å; Q401-N416 VanDerWaalsContact NE2-OD1 3.09Å
402	Y	87.6	Confident	90.6	Very high	21 Å²	21	59.7 Å²	59.7	8%	0.082	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.9	173.9	-77.4	-80.9	0	0	0	111.7	E379 L381 G385 V386 V417 L419 P437	E379-Y402 PolarHBondContact N-OH 2.88Å; E379-Y402 VanDerWaalsContact O-CE1 3.23Å; E379-Y402 WeakPolarHBondContact O-CE1 3.31Å; E379-Y402 PolarHBondContact O-OH 2.9Å; L381-Y402 HydrophobicContact CB-CD1 3.48Å; L381-Y402 VanDerWaalsContact CB-CD1 3.48Å; L381-Y402 HydrophobicContact CB-CE1 3.66Å; L381-Y402 HydrophobicContact CD2-CD1 3.54Å; L381-Y402 HydrophobicContact CD2-CE1 4.49Å; L381-Y402 HydrophobicContact CD2-CG 4.06Å; L381-Y402 HydrophobicContact CG-CD1 4.11Å; G385-Y402 WeakPolarHBondContact O-CA 3.36Å; V386-Y402 HydrophobicContact CG2-CD1 3.57Å; V386-Y402 HydrophobicContact CG2-CE1 3.28Å; V386-Y402 HydrophobicContact CG2-CG 4.39Å; Y402-V417 HydrophobicContact CD2-CG1 4.46Å; Y402-V417 PolarHBondContact N-O 3.26Å; Y402-L419 HydrophobicContact CE2-CD1 3.67Å; Y402-L419 HydrophobicContact CE2-CG 4.13Å; Y402-P437 HydrophobicContact CD1-CG 4.27Å; Y402-P437 HydrophobicContact CD2-CB 4.45Å; Y402-P437 HydrophobicContact CD2-CG 3.84Å; Y402-P437 HydrophobicContact CE1-CG 4.49Å; Y402-P437 HydrophobicContact CE2-CG 4.12Å; Y402-P437 HydrophobicContact CG-CB 4.22Å; Y402-P437 HydrophobicContact CG-CG 3.91Å
403	H	89.1	Confident	89.8	Confident	68 Å²	68	54.8 Å²	54.8	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.5	173.2	64.5	-85.2	0	0	0	110.6	G384 G385 V386 N387	G384-H403 CarbonylContact C-O 3.53Å; G384-H403 WeakPolarHBondContact CA-O 3.36Å; G385-H403 VanDerWaalsContact C-ND1 3.34Å; G385-H403 PolarHBondContact N-O 3.42Å; G385-H403 PolarHBondContact O-N 3.47Å; G385-H403 PolarHBondContact O-ND1 3.02Å; V386-H403 PolarHBondContact N-CE1 2.02Å; N387-H403 PolarHBondContact ND2-ND1 3.31Å; N387-H403 VanDerWaalsContact ND2-ND1 3.19Å; N387-H403 PolarHBondContact OD1-CE1 2.89Å; N387-H403 VanDerWaalsContact OD1-CE1 3.22Å
404	C	92.1	Very high	88.6	Confident	11 Å²	11	50.3 Å²	50.3	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	159.5	173.9	-63.7	0	0	0	0	111	E406 C439	C404-E406 PolarHBondContact O-N 2.98Å; C404-C439 WeakPolarHBondContact CA-SG 3.43Å; C404-C439 HydrophobicContact CB-CB 3.83Å; C404-C439 WeakPolarHBondContact CB-SG 3.43Å; C404-C439 WeakPolarHBondContact SG-CA 3.2Å; C404-C439 WeakPolarHBondContact SG-CB 3.47Å; C404-C439 CovalentContact SG-SG 2.04Å; C404-C439 PolarHBondContact SG-SG 2.91Å
405	N	93.4	Very high	87.3	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.374	30%	0.302	S	S	.	.			trans	-74.8	75.8	175.2	-66.8	-17.3	0	0	0	110.3	N383 F408 Y409	N383-N405 WeakPolarHBondContact O-CB 3.36Å; N383-N405 PolarHBondContact O-N 2.89Å; N405-F408 PolarHBondContact O-N 3.23Å; N405-F408 VanDerWaalsContact O-N 3.12Å; N405-Y409 HydrophobicContact CB-CD2 4.1Å; N405-Y409 PolarHBondContact O-N 3.06Å; N405-Y409 VanDerWaalsContact O-N 3.12Å
406	E	92.3	Very high	85.8	Confident	144 Å²	144	57.4 Å²	57.4	67%	0.673	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	147.7	175.1	-68.4	-176.3	-174.4	0	0	111.2	C404	C404-E406 PolarHBondContact O-N 2.98Å
407	P	93	Very high	84.9	Confident	74 Å²	74	56.5 Å²	56.5	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	6.7	0.1	36.7	-36.4	0	0	0	113.9	V442 T447	P407-V442 WeakPolarHBondContact O-CG2 3.22Å; P407-T447 HydrophobicContact CG-CG2 3.81Å
408	F	94.9	Very high	84.6	Confident	40 Å²	40	52.7 Å²	52.7	18%	0.175	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.4	-171.7	-45.3	-62.9	0	0	0	113	N405 V442 T447 F562 A564 M567	N405-F408 PolarHBondContact O-N 3.23Å; N405-F408 VanDerWaalsContact O-N 3.12Å; F408-V442 PolarHBondContact O-N 2.89Å; F408-T447 HydrophobicContact CE1-CG2 3.74Å; F408-T447 HydrophobicContact CZ-CG2 4.43Å; F408-F562 HydrophobicContact CB-CB 4.16Å; F408-A564 HydrophobicContact CE1-CB 4.21Å; F408-A564 HydrophobicContact CZ-CB 4.2Å; F408-A564 VanDerWaalsContact CZ-N 3.34Å; F408-M567 HydrophobicContact CD1-CE 3.98Å; F408-M567 HydrophobicContact CD1-CG 4.28Å; F408-M567 HydrophobicContact CD1-SD 3.98Å; F408-M567 HydrophobicContact CE1-SD 4.24Å
409	Y	93.8	Very high	84.3	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.4	176.9	-58.9	-93.7	0	0	0	110.7	N383 N405 L440 P441 F562	N383-Y409 HydrophobicContact CB-CD1 3.62Å; N383-Y409 HydrophobicContact CB-CD2 3.74Å; N383-Y409 HydrophobicContact CB-CE1 3.59Å; N383-Y409 HydrophobicContact CB-CE2 3.7Å; N383-Y409 HydrophobicContact CB-CG 3.69Å; N383-Y409 WeakPolarHBondContact ND2-CE1 3.33Å; N383-Y409 PolarHBondContact OD1-OH 3.5Å; N405-Y409 HydrophobicContact CB-CD2 4.1Å; N405-Y409 PolarHBondContact O-N 3.06Å; N405-Y409 VanDerWaalsContact O-N 3.12Å; Y409-L440 CarbonylContact C-O 3.56Å; Y409-L440 VanDerWaalsContact CA-O 3.25Å; Y409-L440 WeakPolarHBondContact CA-O 3.45Å; Y409-P441 HydrophobicContact CD1-CB 4.4Å; Y409-P441 HydrophobicContact CD1-CG 4.16Å; Y409-P441 HydrophobicContact CE1-CB 4.33Å; Y409-P441 HydrophobicContact CE1-CG 3.9Å; Y409-F562 AromaticContact CE1-CD2 3.85Å; Y409-F562 HydrophobicContact CE1-CD2 3.85Å; Y409-F562 HydrophobicContact CE2-CB 3.99Å; Y409-F562 AromaticContact CZ-CD2 3.76Å; Y409-F562 PolarHBondContact OH-N 3.39Å
410	S	90.9	Very high	84.3	Confident	50 Å²	50	53.2 Å²	53.2	35%	0.35	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.6	179.1	60.1	0	0	0	0	110.9	L440	S410-L440 PolarHBondContact N-O 3.35Å; S410-L440 PolarHBondContact O-N 3.21Å
411	P	88.2	Confident	84.5	Confident	46 Å²	46	53.2 Å²	53.2	30%	0.299	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.7	-178	27.8	-34.1	0	0	0	111.8	N415	P411-N415 WeakPolarHBondContact CG-OD1 3.35Å
412	Y	82.3	Confident	84.7	Confident	151 Å²	151	53.8 Å²	53.8	59%	0.592	30%	0.3	S	S	*	.	S	Bend	trans	-85.7	128.3	173	-175.7	-111.3	0	0	0	111.4	A438 L440	Y412-A438 PolarHBondContact N-O 3.24Å; Y412-L440 HydrophobicContact CD2-CD1 3.35Å; Y412-L440 HydrophobicContact CD2-CG 4.28Å; Y412-L440 HydrophobicContact CE2-CD1 4.07Å; Y412-L440 HydrophobicContact CG-CD1 3.96Å; Y412-L440 HydrophobicContact CG-CG 4.44Å
413	G	64.7	Low	85	Confident	55 Å²	55	54.4 Å²	54.4	57%	0.567	31%	0.31	S	S	*	.	S	Bend	trans	92	-6.8	173.1	0	0	0	0	0	116	I434	G413-I434 WeakPolarHBondContact O-CD1 3.4Å
414	G	60.8	Low	85.2	Confident	37 Å²	37	54.5 Å²	54.5	38%	0.381	31%	0.312	S	S	.	.	S	Bend	trans	138.3	163.5	175.1	0	0	0	0	0	112.9
415	N	63.5	Low	85.1	Confident	126 Å²	126	58.7 Å²	58.7	67%	0.674	33%	0.327	S	S	*	.	S	Bend	trans	-83.9	139.3	179.9	-62.5	-12.5	0	0	0	109.6	P411	P411-N415 WeakPolarHBondContact CG-OD1 3.35Å
416	N	64.4	Low	85.1	Confident	105 Å²	105	63 Å²	63	56%	0.561	34%	0.338	S	S	*	.			trans	82.5	63.3	167.9	-48.4	-25.3	0	0	0	117	Q401 S418	Q401-N416 VanDerWaalsContact NE2-CG 3.31Å; Q401-N416 PolarHBondContact NE2-OD1 3.2Å; Q401-N416 VanDerWaalsContact NE2-OD1 3.09Å; N416-S418 PolarHBondContact O-N 3.5Å
417	V	75.8	Confident	84.9	Confident	21 Å²	21	58 Å²	58	13%	0.127	31%	0.313	C	S	.	.			trans	-75.7	102.9	163.4	-177.5	0	0	0	0	108.9	Y402 L419 P437	Y402-V417 HydrophobicContact CD2-CG1 4.46Å; Y402-V417 PolarHBondContact N-O 3.26Å; V417-L419 HydrophobicContact CG1-CD2 4.2Å; V417-P437 HydrophobicContact CB-CB 4.38Å; V417-P437 HydrophobicContact CG1-CB 4.46Å; V417-P437 HydrophobicContact CG2-CB 4.29Å
418	S	86.4	Confident	84.6	Confident	18 Å²	18	60.1 Å²	60.1	13%	0.126	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.2	172	63.3	0	0	0	0	111.4	V400 N416	V400-S418 CarbonylContact O-C 3.55Å; V400-S418 WeakPolarHBondContact O-CA 3.24Å; N416-S418 PolarHBondContact O-N 3.5Å
419	L	87.8	Confident	83.9	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.126	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	173.7	-52.7	-175.1	0	0	0	110.9	V399 V400 Y402 V417 W427 R428	V399-L419 CarbonylContact C-O 3.58Å; V399-L419 WeakPolarHBondContact CA-O 3.42Å; V400-L419 HydrophobicContact CG2-CB 3.92Å; V400-L419 PolarHBondContact N-O 3.08Å; V400-L419 PolarHBondContact O-N 3.07Å; Y402-L419 HydrophobicContact CE2-CD1 3.67Å; Y402-L419 HydrophobicContact CE2-CG 4.13Å; V417-L419 HydrophobicContact CG1-CD2 4.2Å; L419-W427 HydrophobicContact CB-CB 4.01Å; L419-W427 HydrophobicContact CB-CE3 4.13Å; L419-W427 HydrophobicContact CD1-CB 3.77Å; L419-R428 CarbonylContact C-O 3.6Å; L419-R428 VanDerWaalsContact CA-O 3.24Å; L419-R428 WeakPolarHBondContact CA-O 3Å
420	T	91.6	Very high	82.6	Confident	9 Å²	9	64.6 Å²	64.6	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.9	175.1	-49	0	0	0	0	109.4	S398 V399 E422 W427 R428 N430	S398-T420 CarbonylContact O-C 3.53Å; S398-T420 WeakPolarHBondContact O-CA 3.43Å; V399-T420 HydrophobicContact CG2-CG2 4.2Å; T420-E422 PolarHBondContact O-N 2.87Å; T420-W427 WeakPolarHBondContact O-CA 3.38Å; T420-R428 PolarHBondContact N-O 3.42Å; T420-R428 PolarHBondContact O-N 2.87Å; T420-N430 PolarHBondContact OG1-ND2 3.09Å; T420-N430 VanDerWaalsContact OG1-ND2 3.13Å; T420-N430 PolarHBondContact OG1-OD1 3.02Å
421	C	93.3	Very high	81.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	111.9	171.3	172.2	0	0	0	0	110	C375 N394 Q395 Y396 L397 S398 W427	C375-C421 HydrophobicContact CB-CB 3.81Å; C375-C421 WeakPolarHBondContact CB-SG 3.09Å; C375-C421 WeakPolarHBondContact SG-CA 3Å; C375-C421 WeakPolarHBondContact SG-CB 3.2Å; C375-C421 CovalentContact SG-SG 2.02Å; C375-C421 PolarHBondContact SG-SG 3.45Å; N394-C421 PolarHBondContact O-SG 2.74Å; Q395-C421 VanDerWaalsContact C-SG 3.57Å; Q395-C421 WeakPolarHBondContact O-CB 3.37Å; Q395-C421 PolarHBondContact O-SG 2.87Å; Y396-C421 VanDerWaalsContact CD2-O 3.29Å; Y396-C421 WeakPolarHBondContact CD2-O 3.42Å; L397-C421 PolarHBondContact N-O 2.9Å; S398-C421 PolarHBondContact O-N 3.42Å; C421-W427 HydrophobicContact CB-CD2 4.35Å; C421-W427 HydrophobicContact CB-CE3 4.01Å; C421-W427 HydrophobicContact CB-CH2 3.96Å; C421-W427 HydrophobicContact CB-CZ2 4.29Å; C421-W427 HydrophobicContact CB-CZ3 3.81Å
422	E	93.7	Very high	79.7	Confident	56 Å²	56	74 Å²	74	26%	0.262	38%	0.381	S	S	.	.			trans	-97.2	165.4	-174.7	-71	-64	160.8	0	0	113.1	T420 D424 R425 R426 R428	T420-E422 PolarHBondContact O-N 2.87Å; E422-D424 WeakPolarHBondContact CB-OD1 3.36Å; E422-D424 PolarHBondContact O-N 3.4Å; E422-R425 PolarHBondContact O-N 3.16Å; E422-R426 PolarHBondContact N-O 3.45Å; E422-R428 HydrophobicContact CB-CG 4.5Å; E422-R428 HydrophobicContact CG-CB 3.93Å; E422-R428 HydrophobicContact CG-CG 4.13Å
423	A	93.3	Very high	78.5	Confident	33 Å²	33	72.3 Å²	72.3	27%	0.273	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16	-176.6	0	0	0	0	0	113.6	E339 I373 Y396 R425	E339-A423 HydrophobicContact CG-CB 4.16Å; I373-A423 WeakPolarHBondContact CD1-O 3.3Å; Y396-A423 HydrophobicContact CD2-CB 4.4Å; Y396-A423 HydrophobicContact CE2-CB 3.91Å; A423-R425 PolarHBondContact O-N 3.26Å
424	D	92.4	Very high	78.1	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.374	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8.9	174	74	-19.2	0	0	0	114	E422 R426 R428	E422-D424 WeakPolarHBondContact CB-OD1 3.36Å; E422-D424 PolarHBondContact O-N 3.4Å; D424-R426 VanDerWaalsContact C-N 3.3Å; D424-R426 PolarHBondContact O-N 2.04Å; D424-R426 WeakPolarHBondContact OD1-CB 3.49Å; D424-R426 PolarHBondContact OD1-N 2.96Å; D424-R428 IonicContact OD1-NE 3.99Å; D424-R428 IonicContact OD2-CZ 2.7Å; D424-R428 VanDerWaalsContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NE 3.25Å; D424-R428 PolarHBondContact OD2-NE 2.6Å; D424-R428 IonicContact OD2-NH2 3.8Å; D424-R428 PolarHBondContact OD2-NH2 2.81Å
425	R	91.7	Very high	77.9	Confident	99 Å²	99	79.2 Å²	79.2	37%	0.374	40%	0.4	S	S	.	.	S	Bend	trans	67.5	26.2	-179.5	-41.1	-173.8	179	-155.2	-8.9	113.7	E349 I373 C375 E422 A423	E349-R425 VanDerWaalsContact CD-NH1 3.32Å; E349-R425 IonicContact OE1-CZ 3.2Å; E349-R425 IonicContact OE1-NH1 3.4Å; E349-R425 PolarHBondContact OE1-NH1 3.02Å; E349-R425 IonicContact OE1-NH2 2.65Å; E349-R425 PolarHBondContact OE1-NH2 2.77Å; E349-R425 IonicContact OE2-CZ 3.83Å; E349-R425 IonicContact OE2-NH1 3.71Å; E349-R425 PolarHBondContact OE2-NH1 3.19Å; E349-R425 IonicContact OE2-NH2 2.65Å; E349-R425 PolarHBondContact OE2-NH2 2.83Å; I373-R425 HydrophobicContact CG2-CB 4.36Å; I373-R425 HydrophobicContact CG2-CG 3.76Å; C375-R425 VanDerWaalsContact SG-C 3.55Å; E422-R425 PolarHBondContact O-N 3.16Å; A423-R425 PolarHBondContact O-N 3.26Å
426	R	91.6	Very high	78.2	Confident	160 Å²	160	83.2 Å²	83.2	60%	0.604	41%	0.405	S	S	*	.			trans	-121.9	142.9	179.4	-60.9	-177.7	178.8	-176.3	-0.5	110.8	E422 D424 R428	E422-R426 PolarHBondContact N-O 3.45Å; D424-R426 VanDerWaalsContact C-N 3.3Å; D424-R426 PolarHBondContact O-N 2.04Å; D424-R426 WeakPolarHBondContact OD1-CB 3.49Å; D424-R426 PolarHBondContact OD1-N 2.96Å; R426-R428 HydrophobicContact CB-CG 4.37Å; R426-R428 PolarHBondContact O-N 3.36Å
427	W	89.6	Confident	78.8	Confident	40 Å²	40	80 Å²	80	15%	0.152	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.4	165.4	-67.5	102.1	0	0	0	108.9	C375 G376 P378 N394 S398 V400 L419 T420 C421	C375-W427 HydrophobicContact CB-CD2 4.3Å; C375-W427 HydrophobicContact CB-CG 4.37Å; C375-W427 HydrophobicContact CB-CZ2 4.32Å; G376-W427 PolarHBondContact O-NE1 2.8Å; P378-W427 HydrophobicContact CG-CD2 4.28Å; P378-W427 HydrophobicContact CG-CH2 4.41Å; P378-W427 HydrophobicContact CG-CZ2 3.78Å; N394-W427 HydrophobicContact CB-CZ2 4.01Å; S398-W427 WeakPolarHBondContact O-CZ3 3.5Å; V400-W427 HydrophobicContact CB-CZ3 4.15Å; V400-W427 HydrophobicContact CG1-CE3 4.46Å; V400-W427 HydrophobicContact CG1-CH2 3.55Å; V400-W427 HydrophobicContact CG1-CZ2 4.33Å; V400-W427 HydrophobicContact CG1-CZ3 3.63Å; V400-W427 HydrophobicContact CG2-CD2 4.31Å; V400-W427 HydrophobicContact CG2-CE3 3.65Å; V400-W427 HydrophobicContact CG2-CH2 4.28Å; V400-W427 HydrophobicContact CG2-CZ3 3.64Å; L419-W427 HydrophobicContact CB-CB 4.01Å; L419-W427 HydrophobicContact CB-CE3 4.13Å; L419-W427 HydrophobicContact CD1-CB 3.77Å; T420-W427 WeakPolarHBondContact O-CA 3.38Å; C421-W427 HydrophobicContact CB-CD2 4.35Å; C421-W427 HydrophobicContact CB-CE3 4.01Å; C421-W427 HydrophobicContact CB-CH2 3.96Å; C421-W427 HydrophobicContact CB-CZ2 4.29Å; C421-W427 HydrophobicContact CB-CZ3 3.81Å
428	R	86.6	Confident	79.3	Confident	118 Å²	118	80.9 Å²	80.9	45%	0.445	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142	-178.7	-68.8	-172.3	172.4	-96.4	4.2	111.5	L419 T420 E422 D424 R426	L419-R428 CarbonylContact C-O 3.6Å; L419-R428 VanDerWaalsContact CA-O 3.24Å; L419-R428 WeakPolarHBondContact CA-O 3Å; T420-R428 PolarHBondContact N-O 3.42Å; T420-R428 PolarHBondContact O-N 2.87Å; E422-R428 HydrophobicContact CB-CG 4.5Å; E422-R428 HydrophobicContact CG-CB 3.93Å; E422-R428 HydrophobicContact CG-CG 4.13Å; D424-R428 IonicContact OD1-NE 3.99Å; D424-R428 IonicContact OD2-CZ 2.7Å; D424-R428 VanDerWaalsContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NE 3.25Å; D424-R428 PolarHBondContact OD2-NE 2.6Å; D424-R428 IonicContact OD2-NH2 3.8Å; D424-R428 PolarHBondContact OD2-NH2 2.81Å; R426-R428 HydrophobicContact CB-CG 4.37Å; R426-R428 PolarHBondContact O-N 3.36Å
429	S	79	Confident	79.5	Confident	47 Å²	47	80.7 Å²	80.7	33%	0.329	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.4	175.5	178.3	0	0	0	0	110.1	H431	S429-H431 WeakPolarHBondContact CB-O 3.29Å; S429-H431 PolarHBondContact O-N 2.77Å; S429-H431 PolarHBondContact OG-N 2.96Å; S429-H431 PolarHBondContact OG-O 2.61Å
430	N	66.8	Low	79.7	Confident	91 Å²	91	83.5 Å²	83.5	49%	0.487	41%	0.413	S	S	.	.	S	Bend	trans	-77.4	-7.7	169.5	-65.9	-17	0	0	0	112.3	T420	T420-N430 PolarHBondContact OG1-ND2 3.09Å; T420-N430 VanDerWaalsContact OG1-ND2 3.13Å; T420-N430 PolarHBondContact OG1-OD1 3.02Å
431	H	64.8	Low	79.8	Confident	119 Å²	119	85.5 Å²	85.5	55%	0.551	43%	0.426	S	S	*	.	S	Bend	trans	-118.5	125.7	179.3	-62.9	-45.4	0	0	0	110.3	S429 V433	S429-H431 WeakPolarHBondContact CB-O 3.29Å; S429-H431 PolarHBondContact O-N 2.77Å; S429-H431 PolarHBondContact OG-N 2.96Å; S429-H431 PolarHBondContact OG-O 2.61Å; H431-V433 PolarHBondContact O-N 2.86Å
432	D	54.2	Low	79.9	Confident	175 Å²	175	87 Å²	87	94%	0.936	44%	0.435	S	S	*	.	S	Bend	trans	-63.4	-2.8	-176.7	-88.5	-34.1	0	0	0	114.9
433	V	56.5	Low	79.9	Confident	116 Å²	116	86.5 Å²	86.5	70%	0.703	44%	0.437	S	S	*	.	S	Bend	trans	-136.2	86.9	-169	-168.5	0	0	0	0	109.8	H431	H431-V433 PolarHBondContact O-N 2.86Å
434	I	55.8	Low	80	Confident	58 Å²	58	85 Å²	85	30%	0.297	42%	0.424	S	S	.	.			trans	168.3	107.9	137.3	-79.4	147.2	0	0	0	105.9	G413 R436	G413-I434 WeakPolarHBondContact O-CD1 3.4Å; I434-R436 VanDerWaalsContact C-N 3.28Å; I434-R436 PolarHBondContact O-N 2.82Å
435	L	58	Low	80.1	Confident	179 Å²	179	87.6 Å²	87.6	94%	0.937	43%	0.429	S	S	*	.	S	Bend	trans	-70.4	-17.4	-170.6	-86.4	139.4	0	0	0	114.1
436	R	69.1	Low	80.2	Confident	209 Å²	209	83.5 Å²	83.5	79%	0.789	42%	0.415	S	S	*	.	S	Bend	trans	-156.7	116.5	-178.7	-60.8	-173.3	-177.9	-158.8	-4.8	111.2	I434 A438	I434-R436 VanDerWaalsContact C-N 3.28Å; I434-R436 PolarHBondContact O-N 2.82Å; R436-A438 PolarHBondContact O-N 2.8Å
437	P	77.4	Confident	80.1	Confident	39 Å²	39	78.9 Å²	78.9	25%	0.253	41%	0.405	S	S	.	.			trans	-62.6	136.4	171	26.1	-31.4	0	0	0	109.6	L381 Y402 V417	L381-P437 HydrophobicContact CD1-CB 4.28Å; L381-P437 HydrophobicContact CD1-CG 4.44Å; L381-P437 VanDerWaalsContact CD1-O 3.26Å; L381-P437 WeakPolarHBondContact CD1-O 3.38Å; L381-P437 HydrophobicContact CD2-CB 4.36Å; Y402-P437 HydrophobicContact CD1-CG 4.27Å; Y402-P437 HydrophobicContact CD2-CB 4.45Å; Y402-P437 HydrophobicContact CD2-CG 3.84Å; Y402-P437 HydrophobicContact CE1-CG 4.49Å; Y402-P437 HydrophobicContact CE2-CG 4.12Å; Y402-P437 HydrophobicContact CG-CB 4.22Å; Y402-P437 HydrophobicContact CG-CG 3.91Å; V417-P437 HydrophobicContact CB-CB 4.38Å; V417-P437 HydrophobicContact CG1-CB 4.46Å; V417-P437 HydrophobicContact CG2-CB 4.29Å
438	A	86.8	Confident	80	Confident	38 Å²	38	82.4 Å²	82.4	31%	0.314	42%	0.421	S	S	.	.			trans	-139.9	141.5	177.5	0	0	0	0	0	110.3	Y412 R436	Y412-A438 PolarHBondContact N-O 3.24Å; R436-A438 PolarHBondContact O-N 2.8Å
439	C	90.3	Very high	79.7	Confident	14 Å²	14	81.7 Å²	81.7	10%	0.095	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.7	178.6	-67.4	0	0	0	0	109.8	L381 N383 C404	L381-C439 VanDerWaalsContact CD2-SG 3.59Å; N383-C439 HydrophobicContact CB-CB 4.13Å; C404-C439 WeakPolarHBondContact CA-SG 3.43Å; C404-C439 HydrophobicContact CB-CB 3.83Å; C404-C439 WeakPolarHBondContact CB-SG 3.43Å; C404-C439 WeakPolarHBondContact SG-CA 3.2Å; C404-C439 WeakPolarHBondContact SG-CB 3.47Å; C404-C439 CovalentContact SG-SG 2.04Å; C404-C439 PolarHBondContact SG-SG 2.91Å
440	L	91.6	Very high	79.4	Confident	83 Å²	83	80.6 Å²	80.6	44%	0.435	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.6	179.1	-65.9	-178.2	0	0	0	111.2	Y409 S410 Y412 V442	Y409-L440 CarbonylContact C-O 3.56Å; Y409-L440 VanDerWaalsContact CA-O 3.25Å; Y409-L440 WeakPolarHBondContact CA-O 3.45Å; S410-L440 PolarHBondContact N-O 3.35Å; S410-L440 PolarHBondContact O-N 3.21Å; Y412-L440 HydrophobicContact CD2-CD1 3.35Å; Y412-L440 HydrophobicContact CD2-CG 4.28Å; Y412-L440 HydrophobicContact CE2-CD1 4.07Å; Y412-L440 HydrophobicContact CG-CD1 3.96Å; Y412-L440 HydrophobicContact CG-CG 4.44Å; L440-V442 PolarHBondContact O-N 3.12Å
441	P	93.8	Very high	79.2	Confident	52 Å²	52	83 Å²	83	34%	0.338	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	136.8	175.2	-24.2	33	0	0	0	112.8	Y409 F562 P568	Y409-P441 HydrophobicContact CD1-CB 4.4Å; Y409-P441 HydrophobicContact CD1-CG 4.16Å; Y409-P441 HydrophobicContact CE1-CB 4.33Å; Y409-P441 HydrophobicContact CE1-CG 3.9Å; P441-F562 HydrophobicContact CB-CD2 3.6Å; P441-F562 HydrophobicContact CB-CE2 3.46Å; P441-F562 VanDerWaalsContact CB-CE2 3.46Å; P441-F562 HydrophobicContact CB-CZ 4.5Å; P441-F562 HydrophobicContact CG-CD2 3.82Å; P441-F562 HydrophobicContact CG-CE2 3.48Å; P441-F562 VanDerWaalsContact CG-CE2 3.48Å; P441-P568 HydrophobicContact CB-CG 3.99Å
442	V	94.4	Very high	78.7	Confident	31 Å²	31	82.1 Å²	82.1	19%	0.188	42%	0.421	C	S	.	.			trans	-87.4	114.1	170.4	-179.2	0	0	0	0	108.4	P407 F408 L440 R445	P407-V442 WeakPolarHBondContact O-CG2 3.22Å; F408-V442 PolarHBondContact O-N 2.89Å; L440-V442 PolarHBondContact O-N 3.12Å; V442-R445 HydrophobicContact CG1-CB 4.11Å; V442-R445 HydrophobicContact CG1-CG 4.32Å
443	C	95.3	Very high	78.6	Confident	46 Å²	46	77.9 Å²	77.9	31%	0.311	40%	0.395	S	S	.	.			trans	-89.2	153.7	178.8	69.8	0	0	0	0	112.7	R445 P568 C570	C443-R445 PolarHBondContact O-N 2.71Å; C443-R445 VanDerWaalsContact O-N 3.11Å; C443-P568 CarbonylContact C-O 3.51Å; C443-P568 VanDerWaalsContact CA-O 3.23Å; C443-P568 WeakPolarHBondContact CA-O 3.33Å; C443-P568 HydrophobicContact CB-CB 4.38Å; C443-P568 HydrophobicContact CB-CG 4.08Å; C443-C570 HydrophobicContact CB-CB 4.01Å; C443-C570 WeakPolarHBondContact CB-SG 3.28Å; C443-C570 PolarHBondContact O-SG 2.8Å; C443-C570 WeakPolarHBondContact SG-CA 3.33Å; C443-C570 WeakPolarHBondContact SG-CB 3.38Å; C443-C570 CovalentContact SG-SG 2.04Å; C443-C570 PolarHBondContact SG-SG 2.03Å
444	G	94.8	Very high	78.3	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	68.2	11.9	165.4	0	0	0	0	0	115.8	P446 P568 F667	G444-P446 WeakPolarHBondContact O-CD 3.28Å; G444-P568 PolarHBondContact N-O 3.09Å; G444-F667 WeakPolarHBondContact CA-O 3.47Å; G444-F667 PolarHBondContact O-N 3.47Å
445	R	94.4	Very high	77.7	Confident	126 Å²	126	82 Å²	82	48%	0.475	40%	0.404	S	S	.	.			trans	-121	78	-176.1	-69.1	-166.4	171.4	-172.4	-0.7	111.3	V442 C443 M567 D664	V442-R445 HydrophobicContact CG1-CB 4.11Å; V442-R445 HydrophobicContact CG1-CG 4.32Å; C443-R445 PolarHBondContact O-N 2.71Å; C443-R445 VanDerWaalsContact O-N 3.11Å; R445-M567 WeakPolarHBondContact O-CE 3.37Å; R445-D664 IonicContact CZ-OD2 3.9Å; R445-D664 IonicContact NH2-OD2 2.81Å; R445-D664 PolarHBondContact NH2-OD2 3.38Å
446	P	92.7	Very high	77	Confident	13 Å²	13	85 Å²	85	8%	0.084	40%	0.403	C	S	.	.			trans	-67	139.3	-178.2	31.5	-34.7	0	0	0	110.5	G444 K448 Q449 P469 W470 F667	G444-P446 WeakPolarHBondContact O-CD 3.28Å; P446-K448 WeakPolarHBondContact CB-O 3.25Å; P446-K448 PolarHBondContact O-N 3.02Å; P446-Q449 HydrophobicContact CG-CG 4.24Å; P446-P469 HydrophobicContact CB-CG 3.77Å; P446-W470 HydrophobicContact CB-CZ3 4.23Å; P446-W470 HydrophobicContact CG-CH2 4.2Å; P446-W470 HydrophobicContact CG-CZ3 4.07Å; P446-F667 HydrophobicContact CG-CD2 4.11Å; P446-F667 HydrophobicContact CG-CE2 4.03Å
447	T	90.8	Very high	75.9	Confident	63 Å²	63	79 Å²	79	39%	0.387	39%	0.385	S	S	.	.	S	Bend	trans	-71.3	-19.8	-178.8	56	0	0	0	0	113.6	P407 F408 M567	P407-T447 HydrophobicContact CG-CG2 3.81Å; F408-T447 HydrophobicContact CE1-CG2 3.74Å; F408-T447 HydrophobicContact CZ-CG2 4.43Å; T447-M567 HydrophobicContact CG2-SD 4.22Å
448	K	87.9	Confident	74.5	Confident	113 Å²	113	83.3 Å²	83.3	49%	0.491	41%	0.405	S	S	.	.	S	Bend	trans	-124.9	143.8	169.5	-67.7	-173.2	179.8	178	0	108.9	P446 H466 T467	P446-K448 WeakPolarHBondContact CB-O 3.25Å; P446-K448 PolarHBondContact O-N 3.02Å; K448-H466 HydrophobicContact CD-CB 4.42Å; K448-T467 HydrophobicContact CB-CG2 4.16Å; K448-T467 WeakPolarHBondContact O-CA 3.25Å
449	Q	80	Confident	73.3	Confident	103 Å²	103	83.1 Å²	83.1	48%	0.481	41%	0.407	S	S	.	.			trans	-114.6	148	170.8	-65.7	-167.2	-2	0	0	109.7	P446	P446-Q449 HydrophobicContact CG-CG 4.24Å
450	N	71.9	Confident	72.5	Confident	25 Å²	25	83.3 Å²	83.3	13%	0.134	41%	0.411	C	S	.	.			trans	-64.2	139.6	170.2	-74.4	-55.2	0	0	0	108.8	N452 G464 T467 Y607	N450-N452 PolarHBondContact O-N 2.89Å; N450-G464 PolarHBondContact OD1-N 3.06Å; N450-T467 WeakPolarHBondContact ND2-CB 3.31Å; N450-T467 PolarHBondContact ND2-OG1 2.92Å; N450-T467 WeakPolarHBondContact OD1-CB 3.41Å; N450-T467 WeakPolarHBondContact OD1-CG2 3.46Å; N450-T467 PolarHBondContact OD1-OG1 2.93Å; N450-T467 VanDerWaalsContact OD1-OG1 3.08Å; N450-Y607 HydrophobicContact CB-CE1 4.12Å; N450-Y607 HydrophobicContact CB-CE2 4.17Å
451	E	63.9	Low	72	Confident	142 Å²	142	81.6 Å²	81.6	66%	0.664	40%	0.402	S	S	*	.			trans	-57.5	127.9	174.4	-68.6	-175.1	175.2	0	0	109.6	H453	E451-H453 PolarHBondContact O-N 3.39Å; E451-H453 IonicContact OE2-CD2 3.51Å; E451-H453 IonicContact OE2-CE1 3.81Å; E451-H453 IonicContact OE2-NE2 2.74Å; E451-H453 PolarHBondContact OE2-NE2 2.85Å
452	N	53.9	Low	71.6	Confident	100 Å²	100	83.5 Å²	83.5	54%	0.535	41%	0.409	S	S	.	.			trans	-70.7	63	177.7	-86.8	-16.9	0	0	0	111.3	N450 F454	N450-N452 PolarHBondContact O-N 2.89Å; N452-F454 HydrophobicContact CB-CE2 4.35Å; N452-F454 PolarHBondContact O-N 2.84Å; N452-F454 VanDerWaalsContact O-N 3.1Å
453	H	51	Low	71.4	Confident	85 Å²	85	82.4 Å²	82.4	39%	0.394	40%	0.404	S	S	.	.			trans	-76.3	94.9	164	-71.8	-63.3	0	0	0	107.2	E451 Q455	E451-H453 PolarHBondContact O-N 3.39Å; E451-H453 IonicContact OE2-CD2 3.51Å; E451-H453 IonicContact OE2-CE1 3.81Å; E451-H453 IonicContact OE2-NE2 2.74Å; E451-H453 PolarHBondContact OE2-NE2 2.85Å; H453-Q455 HydrophobicContact CB-CB 4.3Å; H453-Q455 HydrophobicContact CB-CG 3.94Å; H453-Q455 PolarHBondContact O-N 3.45Å
454	F	51.6	Low	71	Confident	160 Å²	160	81.6 Å²	81.6	70%	0.702	40%	0.403	S	S	*	.			trans	-65.2	37.1	161.2	-66.1	-78.2	0	0	0	111.5	N452	N452-F454 HydrophobicContact CB-CE2 4.35Å; N452-F454 PolarHBondContact O-N 2.84Å; N452-F454 VanDerWaalsContact O-N 3.1Å
455	Q	43.2	Very low	70.8	Confident	102 Å²	102	86.4 Å²	86.4	48%	0.477	43%	0.426	S	S	.	.			trans	-74.3	132.1	177.9	-71.4	-177.6	7.3	0	0	109	H453 I457 K647	H453-Q455 HydrophobicContact CB-CB 4.3Å; H453-Q455 HydrophobicContact CB-CG 3.94Å; H453-Q455 PolarHBondContact O-N 3.45Å; Q455-I457 HydrophobicContact CB-CD1 4.23Å; Q455-I457 HydrophobicContact CB-CG1 4.08Å; Q455-I457 PolarHBondContact O-N 2.02Å; Q455-K647 PolarHBondContact O-NZ 2.88Å; Q455-K647 VanDerWaalsContact O-NZ 3.17Å
456	R	43.2	Very low	70.6	Confident	242 Å²	242	82.7 Å²	82.7	91%	0.913	41%	0.414	S	S	*	.			trans	-73.8	46.2	177.7	-71.7	177.5	165.9	169.9	-4.6	111.5
457	I	44.8	Very low	70.5	Confident	83 Å²	83	82.7 Å²	82.7	43%	0.426	41%	0.413	S	S	.	.			trans	-86.8	128.6	177.2	-56.7	178.5	0	0	0	108.7	Q455 K647	Q455-I457 HydrophobicContact CB-CD1 4.23Å; Q455-I457 HydrophobicContact CB-CG1 4.08Å; Q455-I457 PolarHBondContact O-N 2.02Å; I457-K647 WeakPolarHBondContact O-CE 3.33Å
458	I	49.4	Very low	70.7	Confident	129 Å²	129	80.2 Å²	80.2	66%	0.662	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	134.6	176.8	-67.1	173.1	0	0	0	108.4	G646	I458-G646 WeakPolarHBondContact CA-O 3.34Å; I458-G646 WeakPolarHBondContact CG2-O 3.48Å
459	G	60.4	Low	71.1	Confident	34 Å²	34	75 Å²	75	35%	0.351	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.9	5.6	173.3	0	0	0	0	0	118.2	G646	G459-G646 PolarHBondContact N-O 3.19Å; G459-G646 VanDerWaalsContact N-O 3.07Å
460	G	73	Confident	71.8	Confident	18 Å²	18	70.1 Å²	70.1	19%	0.186	35%	0.353	C	S	.	.			trans	77.4	163.8	177.1	0	0	0	0	0	114.6	Y607	G460-Y607 CarbonylContact C-O 3.58Å; G460-Y607 WeakPolarHBondContact CA-O 3.33Å
461	N	81.1	Confident	73	Confident	46 Å²	46	69.5 Å²	69.5	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	153.1	-179.8	-68.7	-35.1	0	0	0	110.8	A463 K606 Y607	N461-A463 PolarHBondContact O-N 2.89Å; N461-K606 CarbonylContact O-C 3.58Å; N461-K606 VanDerWaalsContact O-CA 3.25Å; N461-K606 WeakPolarHBondContact O-CA 3.3Å; N461-K606 WeakPolarHBondContact O-CD 3.31Å; N461-Y607 HydrophobicContact CB-CD1 4.05Å; N461-Y607 HydrophobicContact CB-CE1 3.46Å; N461-Y607 VanDerWaalsContact CB-CE1 3.46Å; N461-Y607 HydrophobicContact CB-CE2 4.23Å; N461-Y607 PolarHBondContact N-O 2.99Å; N461-Y607 PolarHBondContact ND2-OH 3.45Å; N461-Y607 WeakPolarHBondContact O-CD1 3.26Å; N461-Y607 PolarHBondContact O-N 2.89Å
462	D	87.1	Confident	74.4	Confident	92 Å²	92	62.7 Å²	62.7	49%	0.492	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.2	168.1	-73.3	-48.5	0	0	0	110	K604 K606 Y607	D462-K604 VanDerWaalsContact OD1-CB 3.26Å; D462-K604 WeakPolarHBondContact OD1-CB 3.5Å; D462-K606 WeakPolarHBondContact OD1-CD 3.42Å; D462-K606 WeakPolarHBondContact OD1-CE 3.43Å; D462-K606 IonicContact OD1-NZ 2.71Å; D462-K606 PolarHBondContact OD1-NZ 2.82Å; D462-K606 IonicContact OD2-NZ 3.86Å; D462-K606 PolarHBondContact OD2-NZ 2.82Å; D462-Y607 WeakPolarHBondContact O-CE1 3.42Å
463	A	88.7	Confident	76.3	Confident	8 Å²	8	58.1 Å²	58.1	7%	0.066	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-72.9	128.9	175.9	0	0	0	0	0	110.1	N461 I468 L605 Y607	N461-A463 PolarHBondContact O-N 2.89Å; A463-I468 HydrophobicContact CB-CD1 4.03Å; A463-L605 HydrophobicContact CB-CB 4.08Å; A463-L605 HydrophobicContact CB-CD2 3.85Å; A463-L605 HydrophobicContact CB-CG 3.74Å; A463-L605 WeakPolarHBondContact CB-O 3.21Å; A463-L605 PolarHBondContact N-O 3.23Å; A463-Y607 HydrophobicContact CB-CD1 3.95Å
464	G	88.4	Confident	78.3	Confident	30 Å²	30	54.1 Å²	54.1	31%	0.309	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-66.7	154.5	171.3	0	0	0	0	0	111.3	N450 H466 T467	N450-G464 PolarHBondContact OD1-N 3.06Å; G464-H466 PolarHBondContact O-N 3.37Å; G464-T467 PolarHBondContact N-OG1 3.18Å; G464-T467 WeakPolarHBondContact O-CB 3.43Å; G464-T467 WeakPolarHBondContact O-CG2 3.42Å; G464-T467 PolarHBondContact O-N 2.99Å; G464-T467 PolarHBondContact O-OG1 3.1Å
465	E	89.1	Confident	80.1	Confident	101 Å²	101	48.5 Å²	48.5	47%	0.472	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	139.1	173.1	-68.6	-172.8	169.5	0	0	111.3	T467	E465-T467 PolarHBondContact O-N 2.93Å; E465-T467 VanDerWaalsContact O-N 3.15Å
466	H	90.8	Very high	82.2	Confident	48 Å²	48	43.7 Å²	43.7	22%	0.222	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	7.9	177	-45.2	159.5	0	0	0	115.2	K448 G464 A564	K448-H466 HydrophobicContact CD-CB 4.42Å; G464-H466 PolarHBondContact O-N 3.37Å; H466-A564 WeakPolarHBondContact CB-O 3.49Å
467	T	91.4	Very high	83.8	Confident	12 Å²	12	34.9 Å²	34.9	7%	0.074	21%	0.213	C	C	.	.	S	Bend	trans	-84.6	-23.5	-179.3	62.8	0	0	0	0	113.8	K448 N450 G464 E465 P469	K448-T467 HydrophobicContact CB-CG2 4.16Å; K448-T467 WeakPolarHBondContact O-CA 3.25Å; N450-T467 WeakPolarHBondContact ND2-CB 3.31Å; N450-T467 PolarHBondContact ND2-OG1 2.92Å; N450-T467 WeakPolarHBondContact OD1-CB 3.41Å; N450-T467 WeakPolarHBondContact OD1-CG2 3.46Å; N450-T467 PolarHBondContact OD1-OG1 2.93Å; N450-T467 VanDerWaalsContact OD1-OG1 3.08Å; G464-T467 PolarHBondContact N-OG1 3.18Å; G464-T467 WeakPolarHBondContact O-CB 3.43Å; G464-T467 WeakPolarHBondContact O-CG2 3.42Å; G464-T467 PolarHBondContact O-N 2.99Å; G464-T467 PolarHBondContact O-OG1 3.1Å; E465-T467 PolarHBondContact O-N 2.93Å; E465-T467 VanDerWaalsContact O-N 3.15Å; T467-P469 VanDerWaalsContact C-CD 3.5Å
468	I	94.3	Very high	85.2	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.056	24%	0.237	C	C	.	.	S	Bend	trans	-132.2	66.3	178.6	-46.7	-175.5	0	0	0	108.6	A463 W470 Q471 L585 L605 Y607	A463-I468 HydrophobicContact CB-CD1 4.03Å; I468-W470 HydrophobicContact CG2-CD2 4.38Å; I468-W470 HydrophobicContact CG2-CZ2 4.06Å; I468-W470 VanDerWaalsContact CG2-NE1 3.34Å; I468-W470 PolarHBondContact O-N 2.91Å; I468-Q471 HydrophobicContact CG2-CB 4.11Å; I468-Q471 WeakPolarHBondContact O-CB 3.32Å; I468-Q471 PolarHBondContact O-N 3.18Å; I468-L585 HydrophobicContact CD1-CD2 4.31Å; I468-L585 HydrophobicContact CG1-CD2 4.49Å; I468-L605 HydrophobicContact CB-CD2 4.42Å; I468-Y607 HydrophobicContact CD1-CG 4.35Å
469	P	95.3	Very high	86.7	Confident	3 Å²	3	36 Å²	36	2%	0.019	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10	-167.2	32.5	-39.5	0	0	0	113.9	P446 T467 A565 I566 M567	P446-P469 HydrophobicContact CB-CG 3.77Å; T467-P469 VanDerWaalsContact C-CD 3.5Å; P469-A565 WeakPolarHBondContact CA-O 3.16Å; P469-I566 WeakPolarHBondContact O-CA 3.28Å; P469-M567 CarbonylContact C-O 3.58Å; P469-M567 HydrophobicContact CB-CB 3.9Å; P469-M567 HydrophobicContact CB-CG 4Å; P469-M567 HydrophobicContact CG-CB 3.76Å; P469-M567 HydrophobicContact CG-CG 4.07Å; P469-M567 HydrophobicContact CG-SD 4.3Å; P469-M567 PolarHBondContact O-N 3.02Å; P469-M567 VanDerWaalsContact O-N 3.14Å
470	W	96.3	Very high	87.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.008	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.3	174.8	48.8	80.4	0	0	0	113.8	P446 I468 A472 M484 I485 M567 L569 L585 T659 F667	P446-W470 HydrophobicContact CB-CZ3 4.23Å; P446-W470 HydrophobicContact CG-CH2 4.2Å; P446-W470 HydrophobicContact CG-CZ3 4.07Å; I468-W470 HydrophobicContact CG2-CD2 4.38Å; I468-W470 HydrophobicContact CG2-CZ2 4.06Å; I468-W470 VanDerWaalsContact CG2-NE1 3.34Å; I468-W470 PolarHBondContact O-N 2.91Å; W470-A472 PolarHBondContact O-N 3.38Å; W470-M484 CarbonylContact O-C 3.35Å; W470-M484 VanDerWaalsContact O-CA 3.28Å; W470-M484 WeakPolarHBondContact O-CA 3.24Å; W470-I485 HydrophobicContact CB-CG2 4.17Å; W470-I485 PolarHBondContact O-N 3.26Å; W470-M567 VanDerWaalsContact CA-O 3.23Å; W470-M567 WeakPolarHBondContact CA-O 3.43Å; W470-M567 WeakPolarHBondContact CB-O 3.35Å; W470-M567 PolarHBondContact N-O 3.36Å; W470-L569 HydrophobicContact CB-CB 3.73Å; W470-L569 HydrophobicContact CD2-CB 4.14Å; W470-L569 HydrophobicContact CD2-CD1 3.72Å; W470-L569 HydrophobicContact CD2-CD2 4.47Å; W470-L569 HydrophobicContact CD2-CG 4.33Å; W470-L569 HydrophobicContact CE3-CB 4.45Å; W470-L569 HydrophobicContact CE3-CD1 3.84Å; W470-L569 HydrophobicContact CG-CB 3.82Å; W470-L569 HydrophobicContact CG-CD1 4.22Å; W470-L569 HydrophobicContact CG-CD2 4.21Å; W470-L569 HydrophobicContact CG-CG 4.32Å; W470-L569 HydrophobicContact CH2-CD1 4.28Å; W470-L569 HydrophobicContact CZ2-CD1 4.17Å; W470-L569 HydrophobicContact CZ3-CD1 4.12Å; W470-L585 HydrophobicContact CZ2-CD2 4.43Å; W470-T659 HydrophobicContact CZ2-CG2 4.15Å; W470-F667 HydrophobicContact CH2-CB 3.57Å; W470-F667 AromaticContact CH2-CD1 3.93Å; W470-F667 HydrophobicContact CH2-CD1 3.93Å; W470-F667 AromaticContact CH2-CD2 3.78Å; W470-F667 HydrophobicContact CH2-CD2 3.78Å; W470-F667 HydrophobicContact CH2-CE2 4.44Å; W470-F667 AromaticContact CH2-CG 3.48Å; W470-F667 HydrophobicContact CH2-CG 3.48Å; W470-F667 VanDerWaalsContact CH2-CG 3.48Å; W470-F667 HydrophobicContact CZ2-CB 4.17Å; W470-F667 HydrophobicContact CZ2-CD1 4.2Å; W470-F667 HydrophobicContact CZ2-CG 4.15Å; W470-F667 HydrophobicContact CZ3-CB 4Å; W470-F667 HydrophobicContact CZ3-CD2 4.37Å; W470-F667 HydrophobicContact CZ3-CG 4.25Å
471	Q	95.6	Very high	88.7	Confident	11 Å²	11	37 Å²	37	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	118.5	-174.2	-178.5	71.9	49.8	0	0	111.1	I468 F514 S587 F589 L605 S656	I468-Q471 HydrophobicContact CG2-CB 4.11Å; I468-Q471 WeakPolarHBondContact O-CB 3.32Å; I468-Q471 PolarHBondContact O-N 3.18Å; Q471-F514 WeakPolarHBondContact O-CD1 3.37Å; Q471-S587 PolarHBondContact OE1-OG 3.27Å; Q471-F589 HydrophobicContact CG-CE2 4.14Å; Q471-L605 HydrophobicContact CB-CD2 4.24Å; Q471-L605 HydrophobicContact CG-CD1 3.81Å; Q471-L605 HydrophobicContact CG-CD2 4.06Å; Q471-S656 PolarHBondContact NE2-OG 3.3Å; Q471-S656 VanDerWaalsContact NE2-OG 3.15Å
472	A	94.8	Very high	89.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	166.7	0	0	0	0	0	109.9	W470 I474 G482 G483 I491 F514	W470-A472 PolarHBondContact O-N 3.38Å; A472-I474 HydrophobicContact CB-CG1 4.24Å; A472-G482 WeakPolarHBondContact O-CA 3.43Å; A472-G483 PolarHBondContact N-O 3.13Å; A472-G483 PolarHBondContact O-N 2.63Å; A472-G483 VanDerWaalsContact O-N 3.15Å; A472-I491 HydrophobicContact CB-CG2 4.01Å; A472-F514 HydrophobicContact CB-CD1 4.08Å; A472-F514 HydrophobicContact CB-CE1 3.33Å; A472-F514 HydrophobicContact CB-CZ 3.66Å
473	F	93.4	Very high	89.6	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.4	161.9	178.2	-98.7	0	0	0	108.4	N475 R480 I512 H513 V519 I522 L523 F589	F473-N475 HydrophobicContact CE1-CB 4.03Å; F473-R480 HydrophobicContact CE2-CB 4.35Å; F473-R480 HydrophobicContact CE2-CG 4.09Å; F473-R480 HydrophobicContact CZ-CG 3.99Å; F473-I512 WeakPolarHBondContact O-CA 3.49Å; F473-H513 HydrophobicContact CB-CB 4.48Å; F473-H513 PolarHBondContact N-O 2.84Å; F473-H513 PolarHBondContact O-N 3.12Å; F473-V519 HydrophobicContact CE2-CG2 4.17Å; F473-V519 HydrophobicContact CZ-CG1 4.23Å; F473-I522 HydrophobicContact CB-CD1 4.14Å; F473-I522 HydrophobicContact CB-CG2 4.26Å; F473-I522 HydrophobicContact CD1-CG2 3.62Å; F473-I522 HydrophobicContact CE1-CG2 4.24Å; F473-I522 HydrophobicContact CG-CD1 4.32Å; F473-I522 HydrophobicContact CG-CG2 4.11Å; F473-L523 HydrophobicContact CE1-CD2 4.33Å; F473-F589 HydrophobicContact CB-CE2 4.05Å; F473-F589 AromaticContact CD2-CD2 3.64Å; F473-F589 HydrophobicContact CD2-CD2 3.64Å; F473-F589 AromaticContact CD2-CE2 3.91Å; F473-F589 HydrophobicContact CD2-CE2 3.91Å; F473-F589 HydrophobicContact CD2-CG 4.09Å; F473-F589 HydrophobicContact CE2-CD2 4.41Å; F473-F589 HydrophobicContact CE2-CG 4.45Å; F473-F589 HydrophobicContact CG-CE2 4.43Å
474	I	92.4	Very high	90	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.1	-177.2	-53.3	175.5	0	0	0	107.8	A472 V476 G481 G482 I491 T493 F510 I512 I554	A472-I474 HydrophobicContact CB-CG1 4.24Å; I474-V476 HydrophobicContact CG2-CG2 3.86Å; I474-G481 PolarHBondContact N-O 2.88Å; I474-G481 PolarHBondContact O-N 2.76Å; I474-G482 WeakPolarHBondContact CD1-O 3.34Å; I474-I491 HydrophobicContact CD1-CG2 4.2Å; I474-T493 HydrophobicContact CD1-CG2 4.34Å; I474-F510 HydrophobicContact CG2-CD1 3.92Å; I474-I512 HydrophobicContact CG2-CG1 4.5Å; I474-I554 HydrophobicContact CD1-CD1 3.93Å; I474-I554 HydrophobicContact CG2-CD1 4.47Å
475	N	89.5	Confident	90.4	Very high	42 Å²	42	28.6 Å²	28.6	23%	0.225	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	172.2	-168.5	30.5	0	0	0	109.5	F473 G477 S479 F510 S511	F473-N475 HydrophobicContact CE1-CB 4.03Å; N475-G477 PolarHBondContact OD1-O 3.04Å; N475-S479 PolarHBondContact OD1-O 2.85Å; N475-F510 WeakPolarHBondContact O-CA 3.36Å; N475-S511 PolarHBondContact N-O 3.14Å; N475-S511 PolarHBondContact O-N 3.49Å
476	V	86.5	Confident	90.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	104.2	-179.9	-169.9	0	0	0	0	107.7	I474 N478 S479 M500 Q505 A509 F510	I474-V476 HydrophobicContact CG2-CG2 3.86Å; V476-N478 PolarHBondContact O-N 3.08Å; V476-N478 VanDerWaalsContact O-N 3.08Å; V476-S479 PolarHBondContact N-O 3.07Å; V476-S479 PolarHBondContact O-N 2.85Å; V476-M500 HydrophobicContact CB-CE 3.57Å; V476-M500 HydrophobicContact CG1-CE 3.57Å; V476-M500 HydrophobicContact CG1-SD 4.14Å; V476-M500 WeakPolarHBondContact O-CE 3.17Å; V476-Q505 HydrophobicContact CG1-CB 4.15Å; V476-Q505 HydrophobicContact CG1-CG 3.86Å; V476-A509 HydrophobicContact CG1-CB 4.49Å; V476-F510 HydrophobicContact CB-CD1 4.41Å; V476-F510 HydrophobicContact CB-CE1 4.46Å; V476-F510 HydrophobicContact CG1-CD1 4.37Å; V476-F510 HydrophobicContact CG1-CE1 4.14Å; V476-F510 HydrophobicContact CG2-CD1 3.26Å; V476-F510 HydrophobicContact CG2-CE1 3.44Å; V476-F510 VanDerWaalsContact CG2-CE1 3.44Å; V476-F510 HydrophobicContact CG2-CG 4.26Å
477	G	77.9	Confident	91	Very high	56 Å²	56	23.2 Å²	23.2	58%	0.577	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-113.1	-168.9	0	0	0	0	0	111.9	N475	N475-G477 PolarHBondContact OD1-O 3.04Å
478	N	74.2	Confident	91.2	Very high	176 Å²	176	25.5 Å²	25.5	94%	0.941	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	3.6	177.5	-69.7	-25.6	0	0	0	113.6	V476	V476-N478 PolarHBondContact O-N 3.08Å; V476-N478 VanDerWaalsContact O-N 3.08Å
479	S	81.6	Confident	91.3	Very high	60 Å²	60	28.8 Å²	28.8	42%	0.42	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.8	-177.7	-165	0	0	0	0	111.4	N475 V476 M500	N475-S479 PolarHBondContact OD1-O 2.85Å; V476-S479 PolarHBondContact N-O 3.07Å; V476-S479 PolarHBondContact O-N 2.85Å; S479-M500 VanDerWaalsContact CB-CE 3.5Å
480	R	85.7	Confident	91.4	Very high	69 Å²	69	29.2 Å²	29.2	26%	0.26	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.1	171.8	-64.3	-179.7	-179.3	-175	-0.4	109.6	F473 T602 N603	F473-R480 HydrophobicContact CE2-CB 4.35Å; F473-R480 HydrophobicContact CE2-CG 4.09Å; F473-R480 HydrophobicContact CZ-CG 3.99Å; R480-T602 PolarHBondContact NH1-O 2.85Å; R480-N603 PolarHBondContact NH1-OD1 2.83Å
481	G	88.7	Confident	91.5	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	169	168.5	0	0	0	0	0	110.8	I474 S654	I474-G481 PolarHBondContact N-O 2.88Å; I474-G481 PolarHBondContact O-N 2.76Å; G481-S654 WeakPolarHBondContact CA-O 3.35Å
482	G	92	Very high	91.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	173.2	170.6	0	0	0	0	0	111.9	A472 I474 T493 S654 G655 S656	A472-G482 WeakPolarHBondContact O-CA 3.43Å; I474-G482 WeakPolarHBondContact CD1-O 3.34Å; G482-T493 PolarHBondContact O-OG1 3.14Å; G482-S654 PolarHBondContact N-O 3.06Å; G482-G655 VanDerWaalsContact C-C 3.48Å; G482-G655 CarbonylContact C-O 3.54Å; G482-G655 CarbonylContact O-C 3.51Å; G482-G655 WeakPolarHBondContact O-CA 3.12Å; G482-S656 WeakPolarHBondContact CA-OG 3.17Å
483	G	94.9	Very high	91.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	178.4	174.4	0	0	0	0	0	110.3	A472 L492 G655	A472-G483 PolarHBondContact N-O 3.13Å; A472-G483 PolarHBondContact O-N 2.63Å; A472-G483 VanDerWaalsContact O-N 3.15Å; G483-L492 CarbonylContact C-O 3.53Å; G483-L492 VanDerWaalsContact CA-O 3.23Å; G483-L492 WeakPolarHBondContact CA-O 3.39Å; G483-G655 WeakPolarHBondContact CA-O 3.11Å
484	M	96.9	Very high	91.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.8	174.8	-62.5	165.3	-83.3	0	0	108.9	W470 I486 I491 L492 L569 G657 A669 I672	W470-M484 CarbonylContact O-C 3.35Å; W470-M484 VanDerWaalsContact O-CA 3.28Å; W470-M484 WeakPolarHBondContact O-CA 3.24Å; M484-I486 HydrophobicContact CB-CG2 4.5Å; M484-I486 PolarHBondContact O-N 3.41Å; M484-I491 CarbonylContact O-C 3.57Å; M484-I491 VanDerWaalsContact O-CA 3.32Å; M484-I491 WeakPolarHBondContact O-CA 3.5Å; M484-L492 HydrophobicContact CE-CB 4.44Å; M484-L492 HydrophobicContact CE-CD2 3.99Å; M484-L492 HydrophobicContact CE-CG 4.18Å; M484-L492 PolarHBondContact N-O 3.49Å; M484-L492 PolarHBondContact O-N 2.65Å; M484-L569 HydrophobicContact CB-CD2 4.35Å; M484-L569 HydrophobicContact CG-CD2 4.09Å; M484-L569 HydrophobicContact SD-CD2 3.39Å; M484-L569 WeakPolarHBondContact SD-CD2 3.48Å; M484-G657 WeakPolarHBondContact SD-CA 3.38Å; M484-A669 HydrophobicContact CE-CB 4.48Å; M484-A669 HydrophobicContact SD-CB 4Å; M484-I672 HydrophobicContact CE-CG1 3.89Å
485	I	97.3	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.5	166.8	-178.1	156.7	0	0	0	109.6	W470 A487 W490 F514 V560 F562 I566 M567 P568 L569	W470-I485 HydrophobicContact CB-CG2 4.17Å; W470-I485 PolarHBondContact O-N 3.26Å; I485-A487 WeakPolarHBondContact CD1-O 3.28Å; I485-A487 WeakPolarHBondContact CG1-O 3.3Å; I485-W490 WeakPolarHBondContact CA-O 3.47Å; I485-F514 HydrophobicContact CB-CD1 4.49Å; I485-F514 HydrophobicContact CB-CE1 3.62Å; I485-F514 HydrophobicContact CB-CZ 3.91Å; I485-F514 HydrophobicContact CD1-CZ 4.3Å; I485-F514 HydrophobicContact CG2-CD1 4.22Å; I485-F514 HydrophobicContact CG2-CE1 3.78Å; I485-V560 HydrophobicContact CD1-CB 4.44Å; I485-V560 HydrophobicContact CD1-CG1 4.45Å; I485-V560 HydrophobicContact CD1-CG2 3.22Å; I485-F562 HydrophobicContact CD1-CE1 3.7Å; I485-F562 HydrophobicContact CD1-CZ 4.21Å; I485-F562 HydrophobicContact CG1-CE1 4.11Å; I485-F562 HydrophobicContact CG1-CZ 4.45Å; I485-I566 HydrophobicContact CD1-CG2 4.42Å; I485-I566 HydrophobicContact CG2-CG2 4.47Å; I485-M567 WeakPolarHBondContact CG2-O 3.25Å; I485-P568 CarbonylContact O-C 3.58Å; I485-P568 WeakPolarHBondContact O-CA 3.09Å; I485-L569 PolarHBondContact O-N 2.67Å
486	I	97.1	Very high	92.1	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.082	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-16.7	-177.1	57.8	163	0	0	0	112.8	M484 W490 L492 L553 L571 I698 M702	M484-I486 HydrophobicContact CB-CG2 4.5Å; M484-I486 PolarHBondContact O-N 3.41Å; I486-W490 HydrophobicContact CD1-CB 4.32Å; I486-W490 HydrophobicContact CG1-CB 3.88Å; I486-W490 WeakPolarHBondContact CG1-O 3.14Å; I486-W490 PolarHBondContact N-O 3.47Å; I486-L492 HydrophobicContact CD1-CB 4.2Å; I486-L492 HydrophobicContact CG1-CB 4.42Å; I486-L492 HydrophobicContact CG2-CB 3.82Å; I486-L492 HydrophobicContact CG2-CD2 4.31Å; I486-L553 HydrophobicContact CD1-CD2 3.76Å; I486-L571 HydrophobicContact CB-CD2 4.37Å; I486-L571 HydrophobicContact CD1-CD2 4.15Å; I486-L571 HydrophobicContact CG2-CD2 4.12Å; I486-I698 HydrophobicContact CD1-CG2 3.78Å; I486-M702 HydrophobicContact CD1-SD 3.77Å
487	A	95.6	Very high	92.4	Very high	19 Å²	19	28.8 Å²	28.8	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	172.9	169.4	0	0	0	0	0	109.1	I485 R489 W490 M702	I485-A487 WeakPolarHBondContact CD1-O 3.28Å; I485-A487 WeakPolarHBondContact CG1-O 3.3Å; A487-R489 PolarHBondContact O-N 2.79Å; A487-W490 HydrophobicContact CB-CB 4.16Å; A487-W490 PolarHBondContact O-N 2.65Å; A487-W490 VanDerWaalsContact O-N 3.12Å; A487-M702 HydrophobicContact CB-CE 3.61Å
488	D	94.4	Very high	93.1	Very high	61 Å²	61	26.1 Å²	26.1	33%	0.326	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.1	-174.7	66.1	-17.7	0	0	0	114.5	P559 V560 F562	D488-P559 HydrophobicContact CB-CB 4.19Å; D488-P559 CarbonylContact O-C 3.46Å; D488-P559 VanDerWaalsContact O-CA 3.31Å; D488-P559 WeakPolarHBondContact O-CA 3.44Å; D488-V560 PolarHBondContact O-N 2.82Å; D488-F562 HydrophobicContact CB-CE2 3.97Å; D488-F562 HydrophobicContact CB-CZ 4.16Å
489	R	96.3	Very high	94	Very high	80 Å²	80	19 Å²	19	30%	0.302	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	6	178.7	-66.5	173.4	178.9	-89	8.1	114.8	A487 K555 L556 K557 P559	A487-R489 PolarHBondContact O-N 2.79Å; R489-K555 CarbonylContact O-C 3.59Å; R489-K555 WeakPolarHBondContact O-CA 2.88Å; R489-L556 PolarHBondContact O-N 2.89Å; R489-K557 PolarHBondContact NH1-O 3.4Å; R489-P559 HydrophobicContact CG-CB 3.85Å; R489-P559 VanDerWaalsContact CZ-CD 3.42Å
490	W	97.8	Very high	94.2	Very high	12 Å²	12	18.6 Å²	18.6	5%	0.045	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.7	-165.7	-68.9	101.4	0	0	0	112.7	I485 I486 A487 H534 L553 K555 I701 M702 N705	I485-W490 WeakPolarHBondContact CA-O 3.47Å; I486-W490 HydrophobicContact CD1-CB 4.32Å; I486-W490 HydrophobicContact CG1-CB 3.88Å; I486-W490 WeakPolarHBondContact CG1-O 3.14Å; I486-W490 PolarHBondContact N-O 3.47Å; A487-W490 HydrophobicContact CB-CB 4.16Å; A487-W490 PolarHBondContact O-N 2.65Å; A487-W490 VanDerWaalsContact O-N 3.12Å; W490-H534 AromaticContact CZ3-CD2 3.93Å; W490-L553 HydrophobicContact CE3-CB 4.03Å; W490-L553 HydrophobicContact CE3-CD1 4.32Å; W490-L553 HydrophobicContact CZ3-CB 3.99Å; W490-L553 HydrophobicContact CZ3-CD1 4.3Å; W490-K555 HydrophobicContact CD2-CG 4.43Å; W490-K555 HydrophobicContact CE3-CB 4.08Å; W490-K555 HydrophobicContact CE3-CG 4.41Å; W490-K555 HydrophobicContact CH2-CB 3.81Å; W490-K555 HydrophobicContact CH2-CD 3.85Å; W490-K555 HydrophobicContact CH2-CG 3.87Å; W490-K555 HydrophobicContact CZ2-CB 4.29Å; W490-K555 HydrophobicContact CZ2-CD 3.79Å; W490-K555 HydrophobicContact CZ2-CG 3.85Å; W490-K555 HydrophobicContact CZ3-CB 3.69Å; W490-K555 HydrophobicContact CZ3-CG 4.15Å; W490-I701 HydrophobicContact CH2-CG2 3.86Å; W490-I701 HydrophobicContact CZ3-CG2 3.93Å; W490-M702 HydrophobicContact CB-CE 4.35Å; W490-M702 HydrophobicContact CB-SD 4.45Å; W490-M702 HydrophobicContact CD2-CG 3.71Å; W490-M702 HydrophobicContact CE3-CG 4.23Å; W490-M702 HydrophobicContact CG-CE 4.11Å; W490-M702 HydrophobicContact CG-CG 3.83Å; W490-M702 HydrophobicContact CG-SD 4.29Å; W490-M702 HydrophobicContact CZ2-CB 4.41Å; W490-M702 HydrophobicContact CZ2-CG 4.32Å; W490-N705 HydrophobicContact CH2-CB 4.03Å; W490-N705 HydrophobicContact CZ2-CB 4.21Å; W490-N705 WeakPolarHBondContact CZ2-OXT 3.32Å
491	I	98	Very high	94.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.1	176.4	-51.6	178.3	0	0	0	108.8	A472 I474 M484 I512 F514 L553 I554 L556	A472-I491 HydrophobicContact CB-CG2 4.01Å; I474-I491 HydrophobicContact CD1-CG2 4.2Å; M484-I491 CarbonylContact O-C 3.57Å; M484-I491 VanDerWaalsContact O-CA 3.32Å; M484-I491 WeakPolarHBondContact O-CA 3.5Å; I491-I512 HydrophobicContact CD1-CD1 4.2Å; I491-I512 HydrophobicContact CD1-CG2 3.39Å; I491-F514 HydrophobicContact CD1-CE2 3.83Å; I491-F514 HydrophobicContact CD1-CZ 3.45Å; I491-F514 VanDerWaalsContact CD1-CZ 3.45Å; I491-F514 HydrophobicContact CG1-CE2 4.5Å; I491-F514 HydrophobicContact CG1-CZ 3.8Å; I491-L553 WeakPolarHBondContact O-CA 3.05Å; I491-I554 HydrophobicContact CB-CB 4.28Å; I491-I554 PolarHBondContact N-O 2.72Å; I491-I554 PolarHBondContact O-N 3.1Å; I491-L556 HydrophobicContact CD1-CD1 4.33Å; I491-L556 HydrophobicContact CD1-CD2 3.84Å; I491-L556 HydrophobicContact CD1-CG 4.2Å; I491-L556 HydrophobicContact CG1-CD1 4.44Å; I491-L556 HydrophobicContact CG1-CG 4.39Å
492	L	98.3	Very high	93.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.8	170.8	-174.6	61.8	0	0	0	109.9	G483 M484 I486 I551 L553 L571 A669 I672 V691 I698	G483-L492 CarbonylContact C-O 3.53Å; G483-L492 VanDerWaalsContact CA-O 3.23Å; G483-L492 WeakPolarHBondContact CA-O 3.39Å; M484-L492 HydrophobicContact CE-CB 4.44Å; M484-L492 HydrophobicContact CE-CD2 3.99Å; M484-L492 HydrophobicContact CE-CG 4.18Å; M484-L492 PolarHBondContact N-O 3.49Å; M484-L492 PolarHBondContact O-N 2.65Å; I486-L492 HydrophobicContact CD1-CB 4.2Å; I486-L492 HydrophobicContact CG1-CB 4.42Å; I486-L492 HydrophobicContact CG2-CB 3.82Å; I486-L492 HydrophobicContact CG2-CD2 4.31Å; L492-I551 HydrophobicContact CD1-CD1 3.76Å; L492-I551 HydrophobicContact CD1-CG1 3.74Å; L492-L553 HydrophobicContact CB-CD2 4.37Å; L492-L553 HydrophobicContact CD1-CD2 3.89Å; L492-L571 HydrophobicContact CD2-CD2 4.44Å; L492-A669 HydrophobicContact CD2-CB 4.36Å; L492-I672 HydrophobicContact CD1-CD1 3.86Å; L492-I672 HydrophobicContact CD2-CD1 4.1Å; L492-I672 HydrophobicContact CD2-CG1 4.32Å; L492-I672 HydrophobicContact CG-CD1 3.79Å; L492-I672 HydrophobicContact CG-CG1 4.27Å; L492-V691 HydrophobicContact CD2-CG1 4.06Å; L492-V691 HydrophobicContact CD2-CG2 4.2Å; L492-I698 HydrophobicContact CD1-CD1 4.11Å; L492-I698 HydrophobicContact CD1-CG1 4.43Å; L492-I698 HydrophobicContact CD2-CD1 4.37Å
493	T	97.3	Very high	93.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-179.5	177.8	-170.8	0	0	0	0	110.6	I474 G482 V498 A552 I554 G655	I474-T493 HydrophobicContact CD1-CG2 4.34Å; G482-T493 PolarHBondContact O-OG1 3.14Å; T493-V498 HydrophobicContact CG2-CG1 3.8Å; T493-A552 HydrophobicContact CG2-CB 4.25Å; T493-A552 PolarHBondContact N-O 3.25Å; T493-A552 PolarHBondContact O-N 2.95Å; T493-A552 VanDerWaalsContact O-O 3.09Å; T493-I554 HydrophobicContact CG2-CD1 4.09Å; T493-I554 HydrophobicContact CG2-CG1 4.26Å; T493-G655 WeakPolarHBondContact OG1-CA 3.42Å
494	A	96.3	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.			trans	-82.9	147.7	175.8	0	0	0	0	0	111	H496 V497 I672	A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 WeakPolarHBondContact CB-ND1 3.42Å; A494-H496 PolarHBondContact O-N 2.75Å; A494-V497 HydrophobicContact CB-CG2 4.07Å; A494-V497 WeakPolarHBondContact O-CB 3.27Å; A494-V497 PolarHBondContact O-N 2.92Å; A494-I672 HydrophobicContact CB-CG2 3.83Å
495	A	96.3	Very high	93.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-38.4	177.4	0	0	0	0	0	112	V497 V498 V499 V535 Y539 D550 A552	A495-V497 PolarHBondContact O-N 2.6Å; A495-V497 VanDerWaalsContact O-N 3.17Å; A495-V498 WeakPolarHBondContact O-CG2 3.4Å; A495-V498 PolarHBondContact O-N 2.84Å; A495-V498 VanDerWaalsContact O-N 3.08Å; A495-V499 WeakPolarHBondContact O-CB 3.42Å; A495-V499 VanDerWaalsContact O-CG2 3.32Å; A495-V499 WeakPolarHBondContact O-CG2 3.49Å; A495-V499 PolarHBondContact O-N 2.99Å; A495-V535 HydrophobicContact CB-CG1 3.79Å; A495-Y539 HydrophobicContact CB-CD1 3.45Å; A495-Y539 VanDerWaalsContact CB-CD1 3.45Å; A495-Y539 HydrophobicContact CB-CD2 3.75Å; A495-Y539 HydrophobicContact CB-CE1 3.68Å; A495-Y539 HydrophobicContact CB-CE2 3.98Å; A495-Y539 HydrophobicContact CB-CG 3.48Å; A495-Y539 VanDerWaalsContact CB-CG 3.48Å; A495-D550 WeakPolarHBondContact CA-OD1 2.96Å; A495-D550 WeakPolarHBondContact CB-OD1 3.39Å; A495-D550 PolarHBondContact N-OD1 2.87Å; A495-A552 HydrophobicContact CB-CB 4.49Å
496	H	91.9	Very high	93.2	Very high	42 Å²	42	43.7 Å²	43.7	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-15.6	179.1	80.5	-95.6	0	0	0	113.8	A494 Y539 Y547 D550 S654 S674	A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 WeakPolarHBondContact CB-ND1 3.42Å; A494-H496 PolarHBondContact O-N 2.75Å; H496-Y539 VanDerWaalsContact CB-OH 3.23Å; H496-Y539 WeakPolarHBondContact CB-OH 3.5Å; H496-Y547 HydrophobicContact CB-CE1 4.39Å; H496-D550 IonicContact CE1-OD2 3.09Å; H496-D550 PolarHBondContact CE1-OD2 2.75Å; H496-D550 IonicContact CG-OD1 3.63Å; H496-D550 IonicContact CG-OD2 2.77Å; H496-D550 PolarHBondContact N-OD1 3.5Å; H496-D550 IonicContact ND1-OD1 3.8Å; H496-D550 PolarHBondContact ND1-OD1 2.78Å; H496-D550 IonicContact ND1-OD2 3.02Å; H496-D550 PolarHBondContact ND1-OD2 2.98Å; H496-S654 WeakPolarHBondContact NE2-CB 3.49Å; H496-S654 PolarHBondContact NE2-OG 3.08Å; H496-S674 PolarHBondContact CE1-O 3.41Å
497	V	91.8	Very high	93	Very high	10 Å²	10	44.2 Å²	44.2	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-74.8	-36	173.2	171.9	0	0	0	0	110.7	A494 A495 S654	A494-V497 HydrophobicContact CB-CG2 4.07Å; A494-V497 WeakPolarHBondContact O-CB 3.27Å; A494-V497 PolarHBondContact O-N 2.92Å; A495-V497 PolarHBondContact O-N 2.6Å; A495-V497 VanDerWaalsContact O-N 3.17Å; V497-S654 WeakPolarHBondContact CG2-O 3.2Å
498	V	93.4	Very high	92.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-101.2	-8.4	-174.4	-50.9	0	0	0	0	113.3	T493 A495 Q505 F510 V533 V535 A552 I554	T493-V498 HydrophobicContact CG2-CG1 3.8Å; A495-V498 WeakPolarHBondContact O-CG2 3.4Å; A495-V498 PolarHBondContact O-N 2.84Å; A495-V498 VanDerWaalsContact O-N 3.08Å; V498-Q505 WeakPolarHBondContact O-CG 3.31Å; V498-Q505 PolarHBondContact O-N 2.69Å; V498-F510 HydrophobicContact CB-CE1 3.92Å; V498-F510 HydrophobicContact CB-CZ 3.89Å; V498-F510 HydrophobicContact CG1-CE1 3.73Å; V498-F510 HydrophobicContact CG1-CZ 4.11Å; V498-V533 HydrophobicContact CB-CG1 3.87Å; V498-V533 HydrophobicContact CG1-CG1 4.24Å; V498-V533 HydrophobicContact CG2-CG1 3.79Å; V498-V535 HydrophobicContact CG2-CG2 3.56Å; V498-A552 HydrophobicContact CG1-CB 4.48Å; V498-A552 HydrophobicContact CG2-CB 3.61Å; V498-I554 HydrophobicContact CG1-CD1 3.98Å; V498-I554 HydrophobicContact CG1-CG1 4.25Å
499	V	91.9	Very high	92.6	Very high	27 Å²	27	49.5 Å²	49.5	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115	175.9	179.2	0	0	0	0	109.6	A495 Q503 V504 V535 Y539	A495-V499 WeakPolarHBondContact O-CB 3.42Å; A495-V499 VanDerWaalsContact O-CG2 3.32Å; A495-V499 WeakPolarHBondContact O-CG2 3.49Å; A495-V499 PolarHBondContact O-N 2.99Å; V499-Q503 WeakPolarHBondContact CA-O 3.35Å; V499-V504 HydrophobicContact CG2-CG2 4.17Å; V499-V535 HydrophobicContact CG2-CG1 4.19Å; V499-V535 HydrophobicContact CG2-CG2 3.88Å; V499-Y539 HydrophobicContact CB-CE1 4.29Å; V499-Y539 HydrophobicContact CG1-CE1 4.5Å; V499-Y539 HydrophobicContact CG2-CD1 4.41Å; V499-Y539 HydrophobicContact CG2-CE1 4.24Å
500	M	85.8	Confident	92.3	Very high	50 Å²	50	46.1 Å²	46.1	25%	0.246	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.4	175.3	-60.2	-173.4	174.3	0	0	110.4	V476 S479 G502 Q503 Q505	V476-M500 HydrophobicContact CB-CE 3.57Å; V476-M500 HydrophobicContact CG1-CE 3.57Å; V476-M500 HydrophobicContact CG1-SD 4.14Å; V476-M500 WeakPolarHBondContact O-CE 3.17Å; S479-M500 VanDerWaalsContact CB-CE 3.5Å; M500-G502 PolarHBondContact O-N 3.48Å; M500-G502 VanDerWaalsContact O-N 3.13Å; M500-Q503 PolarHBondContact N-O 2.97Å; M500-Q503 PolarHBondContact O-N 2.83Å; M500-Q503 VanDerWaalsContact O-O 3.12Å; M500-Q505 HydrophobicContact CB-CG 4.26Å; M500-Q505 HydrophobicContact CG-CG 4.01Å; M500-Q505 HydrophobicContact SD-CG 4.32Å
501	N	83.8	Confident	92	Very high	174 Å²	174	47 Å²	47	93%	0.93	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	34.2	-178	-57.1	-32	0	0	0	113.5	Q503	N501-Q503 VanDerWaalsContact C-N 3.29Å; N501-Q503 PolarHBondContact O-N 3.03Å
502	G	83.9	Confident	91.8	Very high	73 Å²	73	47 Å²	47	75%	0.753	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	6.6	-178.5	0	0	0	0	0	115.3	M500	M500-G502 PolarHBondContact O-N 3.48Å; M500-G502 VanDerWaalsContact O-N 3.13Å
503	Q	90	Very high	91.5	Very high	144 Å²	144	47.3 Å²	47.3	67%	0.673	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.1	178.4	-65.6	-168.4	-30.8	0	0	112.1	V499 M500 N501 Q505	V499-Q503 WeakPolarHBondContact CA-O 3.35Å; M500-Q503 PolarHBondContact N-O 2.97Å; M500-Q503 PolarHBondContact O-N 2.83Å; M500-Q503 VanDerWaalsContact O-O 3.12Å; N501-Q503 VanDerWaalsContact C-N 3.29Å; N501-Q503 PolarHBondContact O-N 3.03Å; Q503-Q505 PolarHBondContact O-N 3.16Å; Q503-Q505 PolarHBondContact O-NE2 3.27Å
504	V	92.8	Very high	91.3	Very high	76 Å²	76	48.1 Å²	48.1	46%	0.461	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.6	172.2	-171.7	0	0	0	0	108.5	V499 V533 V535	V499-V504 HydrophobicContact CG2-CG2 4.17Å; V504-V533 HydrophobicContact CG1-CB 4.27Å; V504-V533 HydrophobicContact CG1-CG1 3.97Å; V504-V535 HydrophobicContact CG1-CG2 3.95Å; V504-V535 HydrophobicContact CG2-CB 4.47Å; V504-V535 HydrophobicContact CG2-CG2 3.88Å
505	Q	92.7	Very high	91	Very high	51 Å²	51	48.9 Å²	48.9	24%	0.238	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.1	148.7	179.2	-59	-55.4	-70.5	0	0	111	V476 V498 M500 Q503 A509 F510	V476-Q505 HydrophobicContact CG1-CB 4.15Å; V476-Q505 HydrophobicContact CG1-CG 3.86Å; V498-Q505 WeakPolarHBondContact O-CG 3.31Å; V498-Q505 PolarHBondContact O-N 2.69Å; M500-Q505 HydrophobicContact CB-CG 4.26Å; M500-Q505 HydrophobicContact CG-CG 4.01Å; M500-Q505 HydrophobicContact SD-CG 4.32Å; Q503-Q505 PolarHBondContact O-N 3.16Å; Q503-Q505 PolarHBondContact O-NE2 3.27Å; Q505-A509 HydrophobicContact CB-CB 4.29Å; Q505-F510 HydrophobicContact CB-CE2 3.97Å; Q505-F510 HydrophobicContact CB-CZ 3.71Å
506	T	92.9	Very high	90.7	Very high	82 Å²	82	53.9 Å²	53.9	50%	0.503	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-73.6	151.1	-179.9	72.2	0	0	0	0	110.9	E508 A509 F510	T506-E508 WeakPolarHBondContact CB-OE2 3.29Å; T506-E508 PolarHBondContact O-N 3.37Å; T506-E508 PolarHBondContact OG1-OE2 3.3Å; T506-A509 VanDerWaalsContact O-CB 3.27Å; T506-A509 WeakPolarHBondContact O-CB 3.3Å; T506-A509 PolarHBondContact O-N 3.15Å; T506-F510 WeakPolarHBondContact O-CD2 3.37Å; T506-F510 WeakPolarHBondContact O-CE2 3.38Å
507	P	91.9	Very high	90.6	Very high	28 Å²	28	52.8 Å²	52.8	18%	0.182	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-53.5	-28.7	-177.6	-27.6	36.1	0	0	0	115.1	A509 F510 A530	P507-A509 VanDerWaalsContact C-N 3.27Å; P507-A509 PolarHBondContact O-N 3.07Å; P507-F510 WeakPolarHBondContact O-CD2 3.34Å; P507-A530 HydrophobicContact CB-CB 3.89Å; P507-A530 WeakPolarHBondContact CB-O 3.47Å
508	E	90.4	Very high	90.6	Very high	153 Å²	153	53.2 Å²	53.2	72%	0.715	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-75.5	-15	179.6	-52.6	72.2	-154.2	0	0	113.1	T506 F510	T506-E508 WeakPolarHBondContact CB-OE2 3.29Å; T506-E508 PolarHBondContact O-N 3.37Å; T506-E508 PolarHBondContact OG1-OE2 3.3Å; E508-F510 VanDerWaalsContact C-N 3.26Å; E508-F510 PolarHBondContact O-N 3.23Å
509	A	90.4	Very high	90.3	Very high	38 Å²	38	53.3 Å²	53.3	31%	0.314	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-78.1	-11.5	178.8	0	0	0	0	0	113.1	V476 Q505 T506 P507	V476-A509 HydrophobicContact CG1-CB 4.49Å; Q505-A509 HydrophobicContact CB-CB 4.29Å; T506-A509 VanDerWaalsContact O-CB 3.27Å; T506-A509 WeakPolarHBondContact O-CB 3.3Å; T506-A509 PolarHBondContact O-N 3.15Å; P507-A509 VanDerWaalsContact C-N 3.27Å; P507-A509 PolarHBondContact O-N 3.07Å
510	F	90.7	Very high	90.1	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128	-175.2	-58.3	-90.7	0	0	0	111.3	I474 N475 V476 V498 Q505 T506 P507 E508 I512 V533 I554	I474-F510 HydrophobicContact CG2-CD1 3.92Å; N475-F510 WeakPolarHBondContact O-CA 3.36Å; V476-F510 HydrophobicContact CB-CD1 4.41Å; V476-F510 HydrophobicContact CB-CE1 4.46Å; V476-F510 HydrophobicContact CG1-CD1 4.37Å; V476-F510 HydrophobicContact CG1-CE1 4.14Å; V476-F510 HydrophobicContact CG2-CD1 3.26Å; V476-F510 HydrophobicContact CG2-CE1 3.44Å; V476-F510 VanDerWaalsContact CG2-CE1 3.44Å; V476-F510 HydrophobicContact CG2-CG 4.26Å; V498-F510 HydrophobicContact CB-CE1 3.92Å; V498-F510 HydrophobicContact CB-CZ 3.89Å; V498-F510 HydrophobicContact CG1-CE1 3.73Å; V498-F510 HydrophobicContact CG1-CZ 4.11Å; Q505-F510 HydrophobicContact CB-CE2 3.97Å; Q505-F510 HydrophobicContact CB-CZ 3.71Å; T506-F510 WeakPolarHBondContact O-CD2 3.37Å; T506-F510 WeakPolarHBondContact O-CE2 3.38Å; P507-F510 WeakPolarHBondContact O-CD2 3.34Å; E508-F510 VanDerWaalsContact C-N 3.26Å; E508-F510 PolarHBondContact O-N 3.23Å; F510-I512 HydrophobicContact CB-CD1 4.11Å; F510-I512 HydrophobicContact CB-CG1 4.04Å; F510-V533 HydrophobicContact CD2-CG2 4.21Å; F510-V533 HydrophobicContact CE2-CG2 3.5Å; F510-V533 HydrophobicContact CZ-CG1 4.48Å; F510-V533 HydrophobicContact CZ-CG2 3.86Å; F510-I554 HydrophobicContact CD1-CD1 4.16Å; F510-I554 HydrophobicContact CE1-CD1 4.32Å
511	S	90.9	Very high	90.1	Very high	32 Å²	32	58.1 Å²	58.1	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.3	163.9	-164.5	0	0	0	0	108.5	N475 H513 S527	N475-S511 PolarHBondContact N-O 3.14Å; N475-S511 PolarHBondContact O-N 3.49Å; S511-H513 PolarHBondContact OG-NE2 2.75Å; S511-S527 VanDerWaalsContact OG-CB 3.22Å; S511-S527 WeakPolarHBondContact OG-CB 3.1Å
512	I	93.9	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.9	-171.6	-58.5	167.1	0	0	0	109.5	F473 I474 I491 F510 F514 S527 L528 A530 I554 L556	F473-I512 WeakPolarHBondContact O-CA 3.49Å; I474-I512 HydrophobicContact CG2-CG1 4.5Å; I491-I512 HydrophobicContact CD1-CD1 4.2Å; I491-I512 HydrophobicContact CD1-CG2 3.39Å; F510-I512 HydrophobicContact CB-CD1 4.11Å; F510-I512 HydrophobicContact CB-CG1 4.04Å; I512-F514 HydrophobicContact CG2-CD2 4.48Å; I512-F514 HydrophobicContact CG2-CE2 3.77Å; I512-F514 HydrophobicContact CG2-CZ 4.27Å; I512-S527 WeakPolarHBondContact O-CA 3.23Å; I512-L528 HydrophobicContact CB-CB 4.32Å; I512-L528 PolarHBondContact O-N 3.22Å; I512-A530 HydrophobicContact CD1-CB 4.14Å; I512-I554 HydrophobicContact CD1-CG2 3.79Å; I512-L556 HydrophobicContact CD1-CD2 3.99Å; I512-L556 HydrophobicContact CG2-CD2 4.39Å
513	H	93.3	Very high	90.2	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.028	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.9	-178.4	-55.9	-102.1	0	0	0	112.3	F473 S511 I522 T525	F473-H513 HydrophobicContact CB-CB 4.48Å; F473-H513 PolarHBondContact N-O 2.84Å; F473-H513 PolarHBondContact O-N 3.12Å; S511-H513 PolarHBondContact OG-NE2 2.75Å; H513-I522 HydrophobicContact CB-CG2 3.4Å; H513-I522 VanDerWaalsContact CB-CG2 3.4Å; H513-I522 PolarHBondContact ND1-O 3.3Å; H513-I522 VanDerWaalsContact ND1-O 3.15Å; H513-T525 PolarHBondContact CE1-O 3.05Å; H513-T525 PolarHBondContact ND1-O 3.35Å; H513-T525 PolarHBondContact ND1-OG1 2.84Å; H513-T525 VanDerWaalsContact ND1-OG1 3.12Å
514	F	91.9	Very high	90.1	Very high	16 Å²	16	51.6 Å²	51.6	7%	0.07	27%	0.268	C	S	.	.			trans	-138.8	170.7	179.4	-66.9	-81.9	0	0	0	111.7	Q471 A472 I485 I491 I512 R516 L528 L556 I566	Q471-F514 WeakPolarHBondContact O-CD1 3.37Å; A472-F514 HydrophobicContact CB-CD1 4.08Å; A472-F514 HydrophobicContact CB-CE1 3.33Å; A472-F514 HydrophobicContact CB-CZ 3.66Å; I485-F514 HydrophobicContact CB-CD1 4.49Å; I485-F514 HydrophobicContact CB-CE1 3.62Å; I485-F514 HydrophobicContact CB-CZ 3.91Å; I485-F514 HydrophobicContact CD1-CZ 4.3Å; I485-F514 HydrophobicContact CG2-CD1 4.22Å; I485-F514 HydrophobicContact CG2-CE1 3.78Å; I491-F514 HydrophobicContact CD1-CE2 3.83Å; I491-F514 HydrophobicContact CD1-CZ 3.45Å; I491-F514 VanDerWaalsContact CD1-CZ 3.45Å; I491-F514 HydrophobicContact CG1-CE2 4.5Å; I491-F514 HydrophobicContact CG1-CZ 3.8Å; I512-F514 HydrophobicContact CG2-CD2 4.48Å; I512-F514 HydrophobicContact CG2-CE2 3.77Å; I512-F514 HydrophobicContact CG2-CZ 4.27Å; F514-R516 VanDerWaalsContact C-N 3.3Å; F514-R516 PolarHBondContact O-N 2.92Å; F514-L528 HydrophobicContact CD2-CD1 3.49Å; F514-L528 VanDerWaalsContact CD2-CD1 3.49Å; F514-L528 HydrophobicContact CE2-CD1 3.65Å; F514-L556 HydrophobicContact CE2-CD1 4.38Å; F514-I566 HydrophobicContact CB-CD1 3.71Å; F514-I566 HydrophobicContact CB-CG1 3.85Å; F514-I566 HydrophobicContact CB-CG2 4.24Å; F514-I566 HydrophobicContact CG-CG2 4.37Å
515	G	89.4	Confident	89.7	Confident	16 Å²	16	49.9 Å²	49.9	17%	0.165	26%	0.258	C	S	.	.	S	Bend	trans	75.2	9	162.1	0	0	0	0	0	116.7	A565	G515-A565 WeakPolarHBondContact CA-O 3.49Å
516	R	91.2	Very high	89.4	Confident	106 Å²	106	53 Å²	53	40%	0.4	28%	0.282	S	S	.	.			trans	-135.1	149.5	176.4	-65.9	-66.4	179.6	-102.2	2.1	110.3	F514 I522 T525	F514-R516 VanDerWaalsContact C-N 3.3Å; F514-R516 PolarHBondContact O-N 2.92Å; R516-I522 HydrophobicContact CB-CD1 4.46Å; R516-I522 HydrophobicContact CB-CG1 3.52Å; R516-T525 HydrophobicContact CG-CG2 4.22Å
517	T	90.3	Very high	89.2	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.117	28%	0.275	C	S	.	.	S	Bend	trans	-109	-1.9	-178.1	59.4	0	0	0	0	113.1	K604 L605	T517-K604 CarbonylContact O-C 3.56Å; T517-K604 WeakPolarHBondContact O-CA 3.07Å; T517-L605 HydrophobicContact CG2-CB 4.4Å; T517-L605 HydrophobicContact CG2-CD2 4.15Å; T517-L605 PolarHBondContact O-N 2.87Å
518	D	91.1	Very high	89.3	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.102	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-117.9	125.8	174.7	-167.9	-48	0	0	0	110.6	H520 Q521 I522 N603 K604	D518-H520 PolarHBondContact O-N 3.2Å; D518-H520 WeakPolarHBondContact OD1-CB 3.39Å; D518-H520 IonicContact OD1-CD2 3.53Å; D518-H520 PolarHBondContact OD1-CD2 3.02Å; D518-H520 IonicContact OD1-CG 3.38Å; D518-H520 PolarHBondContact OD1-N 3.44Å; D518-Q521 HydrophobicContact CB-CB 4.26Å; D518-Q521 HydrophobicContact CB-CG 4.06Å; D518-Q521 PolarHBondContact O-N 2.93Å; D518-Q521 VanDerWaalsContact O-N 3.08Å; D518-I522 VanDerWaalsContact O-CG1 3.28Å; D518-I522 WeakPolarHBondContact O-CG1 3.38Å; D518-I522 PolarHBondContact O-N 3.21Å; D518-N603 CarbonylContact C-O 3.51Å; D518-N603 VanDerWaalsContact CA-O 3.27Å; D518-N603 WeakPolarHBondContact CA-O 3.33Å; D518-K604 HydrophobicContact CB-CD 4.06Å; D518-K604 WeakPolarHBondContact OD2-CD 3.35Å; D518-K604 WeakPolarHBondContact OD2-CE 3.31Å; D518-K604 IonicContact OD2-NZ 3.47Å; D518-K604 PolarHBondContact OD2-NZ 2.94Å
519	V	87	Confident	89.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-35.5	179.7	176	0	0	0	0	112.1	F473 I522 L523 F589 N603	F473-V519 HydrophobicContact CE2-CG2 4.17Å; F473-V519 HydrophobicContact CZ-CG1 4.23Å; V519-I522 PolarHBondContact O-N 3.16Å; V519-L523 HydrophobicContact CG1-CD1 3.93Å; V519-L523 HydrophobicContact CG1-CG 4.26Å; V519-L523 VanDerWaalsContact O-CG 3.26Å; V519-L523 WeakPolarHBondContact O-CG 3.18Å; V519-L523 PolarHBondContact O-N 2.86Å; V519-F589 HydrophobicContact CG2-CD1 3.54Å; V519-F589 HydrophobicContact CG2-CE1 3.89Å; V519-F589 HydrophobicContact CG2-CG 4.21Å; V519-N603 HydrophobicContact CB-CB 4.07Å; V519-N603 HydrophobicContact CG2-CB 4.42Å; V519-N603 WeakPolarHBondContact CG2-O 3.41Å; V519-N603 PolarHBondContact N-O 3.02Å
520	H	87.1	Confident	89.6	Confident	108 Å²	108	48.4 Å²	48.4	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-44.9	176.8	-65.3	-64	0	0	0	111.4	D518 L523 E524 N603	D518-H520 PolarHBondContact O-N 3.2Å; D518-H520 WeakPolarHBondContact OD1-CB 3.39Å; D518-H520 IonicContact OD1-CD2 3.53Å; D518-H520 PolarHBondContact OD1-CD2 3.02Å; D518-H520 IonicContact OD1-CG 3.38Å; D518-H520 PolarHBondContact OD1-N 3.44Å; H520-L523 PolarHBondContact O-N 2.91Å; H520-E524 WeakPolarHBondContact O-CG 3.35Å; H520-E524 PolarHBondContact O-N 3.4Å; H520-N603 PolarHBondContact CE1-ND2 2.81Å; H520-N603 PolarHBondContact NE2-ND2 2.83Å
521	Q	86.9	Confident	89.8	Confident	71 Å²	71	51.4 Å²	51.4	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-70.8	-34.6	176.7	-62.5	176	-5.2	0	0	111.9	D518 L523 E524 T525	D518-Q521 HydrophobicContact CB-CB 4.26Å; D518-Q521 HydrophobicContact CB-CG 4.06Å; D518-Q521 PolarHBondContact O-N 2.93Å; D518-Q521 VanDerWaalsContact O-N 3.08Å; Q521-L523 VanDerWaalsContact C-N 3.35Å; Q521-E524 PolarHBondContact O-N 2.85Å; Q521-T525 PolarHBondContact O-N 3.49Å
522	I	85.7	Confident	90.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-49.3	174.2	-75.3	166.4	0	0	0	109.9	F473 H513 R516 D518 V519 E524 T525 F589	F473-I522 HydrophobicContact CB-CD1 4.14Å; F473-I522 HydrophobicContact CB-CG2 4.26Å; F473-I522 HydrophobicContact CD1-CG2 3.62Å; F473-I522 HydrophobicContact CE1-CG2 4.24Å; F473-I522 HydrophobicContact CG-CD1 4.32Å; F473-I522 HydrophobicContact CG-CG2 4.11Å; H513-I522 HydrophobicContact CB-CG2 3.4Å; H513-I522 VanDerWaalsContact CB-CG2 3.4Å; H513-I522 PolarHBondContact ND1-O 3.3Å; H513-I522 VanDerWaalsContact ND1-O 3.15Å; R516-I522 HydrophobicContact CB-CD1 4.46Å; R516-I522 HydrophobicContact CB-CG1 3.52Å; D518-I522 VanDerWaalsContact O-CG1 3.28Å; D518-I522 WeakPolarHBondContact O-CG1 3.38Å; D518-I522 PolarHBondContact O-N 3.21Å; V519-I522 PolarHBondContact O-N 3.16Å; I522-E524 PolarHBondContact O-N 3.09Å; I522-T525 WeakPolarHBondContact O-CB 3.37Å; I522-T525 PolarHBondContact O-N 2.99Å; I522-T525 PolarHBondContact O-OG1 2.87Å; I522-F589 HydrophobicContact CD1-CE1 3.82Å; I522-F589 HydrophobicContact CD1-CE2 4.21Å; I522-F589 HydrophobicContact CD1-CZ 3.43Å; I522-F589 VanDerWaalsContact CD1-CZ 3.43Å
523	L	84.2	Confident	90.2	Very high	93 Å²	93	52.3 Å²	52.3	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-70.8	-14.7	-177.3	-65.7	173.7	0	0	0	113.4	F473 V519 H520 Q521	F473-L523 HydrophobicContact CE1-CD2 4.33Å; V519-L523 HydrophobicContact CG1-CD1 3.93Å; V519-L523 HydrophobicContact CG1-CG 4.26Å; V519-L523 VanDerWaalsContact O-CG 3.26Å; V519-L523 WeakPolarHBondContact O-CG 3.18Å; V519-L523 PolarHBondContact O-N 2.86Å; H520-L523 PolarHBondContact O-N 2.91Å; Q521-L523 VanDerWaalsContact C-N 3.35Å
524	E	86.8	Confident	90.4	Very high	159 Å²	159	53.8 Å²	53.8	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-80.6	-18.1	170.1	-70	169.4	-174.2	0	0	112.6	H520 Q521 I522	H520-E524 WeakPolarHBondContact O-CG 3.35Å; H520-E524 PolarHBondContact O-N 3.4Å; Q521-E524 PolarHBondContact O-N 2.85Å; I522-E524 PolarHBondContact O-N 3.09Å
525	T	84.1	Confident	90.7	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.239	30%	0.297	C	S	.	.	S	Bend	trans	-83	146.1	175.9	63.9	0	0	0	0	111.7	H513 R516 Q521 I522 S527	H513-T525 PolarHBondContact CE1-O 3.05Å; H513-T525 PolarHBondContact ND1-O 3.35Å; H513-T525 PolarHBondContact ND1-OG1 2.84Å; H513-T525 VanDerWaalsContact ND1-OG1 3.12Å; R516-T525 HydrophobicContact CG-CG2 4.22Å; Q521-T525 PolarHBondContact O-N 3.49Å; I522-T525 WeakPolarHBondContact O-CB 3.37Å; I522-T525 PolarHBondContact O-N 2.99Å; I522-T525 PolarHBondContact O-OG1 2.87Å; T525-S527 PolarHBondContact O-N 2.81Å
526	P	86.6	Confident	91.1	Very high	117 Å²	117	54.7 Å²	54.7	76%	0.76	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-56.1	132.5	171.9	-23.3	33.5	0	0	0	111
527	S	89.9	Confident	91.4	Very high	50 Å²	50	54.7 Å²	54.7	35%	0.35	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-72.2	145.4	173.4	60.4	0	0	0	0	110.9	S511 I512 T525	S511-S527 VanDerWaalsContact OG-CB 3.22Å; S511-S527 WeakPolarHBondContact OG-CB 3.1Å; I512-S527 WeakPolarHBondContact O-CA 3.23Å; T525-S527 PolarHBondContact O-N 2.81Å
528	L	92.6	Very high	91.7	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.293	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-85.1	137.6	170.8	-62.2	175.3	0	0	0	109.6	I512 F514 L556 V560	I512-L528 HydrophobicContact CB-CB 4.32Å; I512-L528 PolarHBondContact O-N 3.22Å; F514-L528 HydrophobicContact CD2-CD1 3.49Å; F514-L528 VanDerWaalsContact CD2-CD1 3.49Å; F514-L528 HydrophobicContact CE2-CD1 3.65Å; L528-L556 HydrophobicContact CB-CD2 4.05Å; L528-L556 HydrophobicContact CD1-CD1 4.17Å; L528-V560 HydrophobicContact CD1-CG1 3.64Å
529	N	93.1	Very high	91.9	Very high	88 Å²	88	60.1 Å²	60.1	47%	0.471	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-87	137.1	-179.4	-64.4	-44.7	0	0	0	110.9	K557	N529-K557 HydrophobicContact CB-CB 4.12Å; N529-K557 HydrophobicContact CB-CD 4.37Å; N529-K557 WeakPolarHBondContact O-CB 3.22Å; N529-K557 PolarHBondContact O-N 2.8Å
530	A	94.9	Very high	92.1	Very high	10 Å²	10	65 Å²	65	8%	0.083	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.6	166.7	0	0	0	0	0	110.8	P507 I512 I554 K555	P507-A530 HydrophobicContact CB-CB 3.89Å; P507-A530 WeakPolarHBondContact CB-O 3.47Å; I512-A530 HydrophobicContact CD1-CB 4.14Å; A530-I554 HydrophobicContact CB-CG2 3.53Å; A530-K555 CarbonylContact C-O 3.44Å; A530-K555 WeakPolarHBondContact CA-O 3.43Å
531	T	95.9	Very high	92.2	Very high	72 Å²	72	61.2 Å²	61.2	44%	0.442	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-28.6	170.5	43.7	0	0	0	0	112.6	K555 K557	T531-K555 PolarHBondContact N-O 3.48Å; T531-K555 PolarHBondContact OG1-O 2.78Å; T531-K557 VanDerWaalsContact CG2-CA 3.48Å; T531-K557 HydrophobicContact CG2-CB 3.65Å; T531-K557 HydrophobicContact CG2-CG 3.81Å
532	A	96.3	Very high	92.1	Very high	26 Å²	26	62.6 Å²	62.6	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.1	179.3	0	0	0	0	0	110.8	H534 K555	A532-H534 WeakPolarHBondContact CB-NE2 3.34Å; A532-K555 HydrophobicContact CB-CB 4.17Å; A532-K555 PolarHBondContact O-N 2.92Å
533	V	96.6	Very high	92	Very high	25 Å²	25	69 Å²	69	15%	0.152	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123	173.6	-178.2	0	0	0	0	107.7	V498 V504 F510 V535 L553 I554	V498-V533 HydrophobicContact CB-CG1 3.87Å; V498-V533 HydrophobicContact CG1-CG1 4.24Å; V498-V533 HydrophobicContact CG2-CG1 3.79Å; V504-V533 HydrophobicContact CG1-CB 4.27Å; V504-V533 HydrophobicContact CG1-CG1 3.97Å; F510-V533 HydrophobicContact CD2-CG2 4.21Å; F510-V533 HydrophobicContact CE2-CG2 3.5Å; F510-V533 HydrophobicContact CZ-CG1 4.48Å; F510-V533 HydrophobicContact CZ-CG2 3.86Å; V533-V535 HydrophobicContact CG1-CG2 4.4Å; V533-L553 WeakPolarHBondContact CA-O 3.37Å; V533-I554 HydrophobicContact CG2-CG1 4.47Å
534	H	97.6	Very high	92	Very high	36 Å²	36	66.2 Å²	66.2	17%	0.167	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	105.4	-178.2	-59	-89.5	0	0	0	109	W490 A532 A552 L553 W697 I701 N705	W490-H534 AromaticContact CZ3-CD2 3.93Å; A532-H534 WeakPolarHBondContact CB-NE2 3.34Å; H534-A552 CarbonylContact O-C 3.55Å; H534-A552 VanDerWaalsContact O-CA 3.25Å; H534-A552 WeakPolarHBondContact O-CA 3.44Å; H534-L553 HydrophobicContact CB-CB 4.34Å; H534-L553 PolarHBondContact N-O 2.95Å; H534-L553 PolarHBondContact O-N 3.5Å; H534-W697 HydrophobicContact CB-CZ2 4.43Å; H534-W697 WeakPolarHBondContact O-CH2 2.97Å; H534-I701 HydrophobicContact CB-CG2 3.89Å; H534-N705 PolarHBondContact CE1-OD1 2.93Å
535	V	97.6	Very high	92	Very high	33 Å²	33	60.9 Å²	60.9	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.6	173.9	179.8	0	0	0	0	109	A495 V498 V499 V504 V533 Y539 A552	A495-V535 HydrophobicContact CB-CG1 3.79Å; V498-V535 HydrophobicContact CG2-CG2 3.56Å; V499-V535 HydrophobicContact CG2-CG1 4.19Å; V499-V535 HydrophobicContact CG2-CG2 3.88Å; V504-V535 HydrophobicContact CG1-CG2 3.95Å; V504-V535 HydrophobicContact CG2-CB 4.47Å; V504-V535 HydrophobicContact CG2-CG2 3.88Å; V533-V535 HydrophobicContact CG1-CG2 4.4Å; V535-Y539 HydrophobicContact CG1-CD1 4.02Å; V535-Y539 HydrophobicContact CG1-CG 4.38Å; V535-A552 HydrophobicContact CG2-CB 4.27Å
536	H	98	Very high	92.3	Very high	18 Å²	18	61.2 Å²	61.2	8%	0.083	36%	0.358	C	S	.	.			trans	-58.7	130.4	175.8	-168	-86.7	0	0	0	110.8	Q538 Y539 H549 I551 Y694 W697	H536-Q538 PolarHBondContact CE1-OE1 2.91Å; H536-Q538 PolarHBondContact ND1-N 3.12Å; H536-Q538 PolarHBondContact O-N 3.39Å; H536-Q538 VanDerWaalsContact O-N 3.08Å; H536-Y539 WeakPolarHBondContact O-CB 3.49Å; H536-Y539 PolarHBondContact O-N 2.78Å; H536-H549 HydrophobicContact CB-CB 4.35Å; H536-H549 AromaticContact CE1-ND1 3.57Å; H536-H549 WeakPolarHBondContact ND1-CB 3.39Å; H536-H549 AromaticContact ND1-CG 3.76Å; H536-H549 AromaticContact ND1-ND1 3.8Å; H536-I551 HydrophobicContact CB-CG2 3.67Å; H536-I551 PolarHBondContact N-O 3.48Å; H536-I551 VanDerWaalsContact N-O 3.15Å; H536-Y694 AromaticContact CD2-CD1 3.65Å; H536-Y694 AromaticContact CD2-CE1 3.84Å; H536-Y694 AromaticContact NE2-CD1 3.69Å; H536-Y694 AromaticContact NE2-CE1 3.7Å; H536-W697 HydrophobicContact CB-CZ2 4.24Å; H536-W697 AromaticContact CD2-CD1 3.79Å; H536-W697 AromaticContact CD2-CD2 3.63Å; H536-W697 AromaticContact CD2-CE2 3.8Å; H536-W697 AromaticContact CD2-CG 3.65Å; H536-W697 AromaticContact CD2-NE1 3.87Å
537	P	96.6	Very high	92.6	Very high	106 Å²	106	58 Å²	58	69%	0.688	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.4	-169.8	24.5	-35.6	0	0	0	114.2
538	Q	96.4	Very high	92.9	Very high	119 Å²	119	56.8 Å²	56.8	56%	0.556	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.4	178.2	-62.4	178.1	-47.2	0	0	113.5	H536 N540 H549	H536-Q538 PolarHBondContact CE1-OE1 2.91Å; H536-Q538 PolarHBondContact ND1-N 3.12Å; H536-Q538 PolarHBondContact O-N 3.39Å; H536-Q538 VanDerWaalsContact O-N 3.08Å; Q538-N540 PolarHBondContact O-N 3.33Å; Q538-H549 HydrophobicContact CB-CB 4.28Å; Q538-H549 VanDerWaalsContact CB-CD2 3.47Å; Q538-H549 WeakPolarHBondContact CB-CD2 2.82Å; Q538-H549 PolarHBondContact OE1-CE1 3.13Å; Q538-H549 PolarHBondContact OE1-ND1 2.64Å
539	Y	96	Very high	93.1	Very high	33 Å²	33	55.4 Å²	55.4	13%	0.129	31%	0.313	C	S	.	.			trans	-68.2	121.4	176.5	179.4	-110.1	0	0	0	110.7	A495 H496 V499 V535 H536 N541 D548 H549 D550	A495-Y539 HydrophobicContact CB-CD1 3.45Å; A495-Y539 VanDerWaalsContact CB-CD1 3.45Å; A495-Y539 HydrophobicContact CB-CD2 3.75Å; A495-Y539 HydrophobicContact CB-CE1 3.68Å; A495-Y539 HydrophobicContact CB-CE2 3.98Å; A495-Y539 HydrophobicContact CB-CG 3.48Å; A495-Y539 VanDerWaalsContact CB-CG 3.48Å; H496-Y539 VanDerWaalsContact CB-OH 3.23Å; H496-Y539 WeakPolarHBondContact CB-OH 3.5Å; V499-Y539 HydrophobicContact CB-CE1 4.29Å; V499-Y539 HydrophobicContact CG1-CE1 4.5Å; V499-Y539 HydrophobicContact CG2-CD1 4.41Å; V499-Y539 HydrophobicContact CG2-CE1 4.24Å; V535-Y539 HydrophobicContact CG1-CD1 4.02Å; V535-Y539 HydrophobicContact CG1-CG 4.38Å; H536-Y539 WeakPolarHBondContact O-CB 3.49Å; H536-Y539 PolarHBondContact O-N 2.78Å; Y539-N541 HydrophobicContact CE1-CB 4.45Å; Y539-N541 HydrophobicContact CE2-CB 4.09Å; Y539-N541 WeakPolarHBondContact OH-CB 3.05Å; Y539-D548 WeakPolarHBondContact CD2-O 3.4Å; Y539-H549 WeakPolarHBondContact CB-O 3.33Å; Y539-D550 HydrophobicContact CD2-CB 4.06Å; Y539-D550 HydrophobicContact CE2-CB 3.79Å
540	N	91.3	Very high	93.3	Very high	103 Å²	103	51.2 Å²	51.2	55%	0.551	29%	0.29	S	S	*	.			trans	-150.9	103.1	-179.1	-174.1	23.3	0	0	0	111.9	Q538 P542 N546	Q538-N540 PolarHBondContact O-N 3.33Å; N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact OD1-CD 3.38Å; N540-N546 PolarHBondContact O-ND2 3.39Å
541	N	89.7	Confident	93.4	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.16	29%	0.286	C	S	.	.			trans	-128.3	57.6	-174.5	-164.9	13.7	0	0	0	114.5	Y539 N543 G544 L545 N546 Y547	Y539-N541 HydrophobicContact CE1-CB 4.45Å; Y539-N541 HydrophobicContact CE2-CB 4.09Å; Y539-N541 WeakPolarHBondContact OH-CB 3.05Å; N541-N543 VanDerWaalsContact C-N 3.26Å; N541-N543 PolarHBondContact O-N 2.97Å; N541-G544 PolarHBondContact O-N 2.85Å; N541-G544 WeakPolarHBondContact OD1-CA 3.27Å; N541-G544 PolarHBondContact OD1-N 3.45Å; N541-G544 VanDerWaalsContact OD1-N 3.11Å; N541-L545 PolarHBondContact OD1-N 3.14Å; N541-N546 WeakPolarHBondContact CB-O 3.25Å; N541-N546 PolarHBondContact OD1-N 2.88Å; N541-N546 PolarHBondContact OD1-O 3.38Å; N541-Y547 VanDerWaalsContact ND2-CE1 3.28Å; N541-Y547 WeakPolarHBondContact ND2-CE1 3.27Å; N541-Y547 VanDerWaalsContact ND2-CZ 3.34Å
542	P	84	Confident	93.5	Very high	99 Å²	99	47.3 Å²	47.3	64%	0.643	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.4	-173.8	28.8	-34.4	0	0	0	112.9	N540	N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact OD1-CD 3.38Å
543	N	84.3	Confident	93.6	Very high	137 Å²	137	46 Å²	46	73%	0.733	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	3.2	-175	-60.7	-13.6	0	0	0	113	N541 L545	N541-N543 VanDerWaalsContact C-N 3.26Å; N541-N543 PolarHBondContact O-N 2.97Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 PolarHBondContact O-N 3.29Å
544	G	83.4	Confident	93.7	Very high	34 Å²	34	44.9 Å²	44.9	35%	0.351	25%	0.248	S	C	.	.	S	Bend	trans	67.6	20.5	-177.8	0	0	0	0	0	114.9	N541 Y547	N541-G544 PolarHBondContact O-N 2.85Å; N541-G544 WeakPolarHBondContact OD1-CA 3.27Å; N541-G544 PolarHBondContact OD1-N 3.45Å; N541-G544 VanDerWaalsContact OD1-N 3.11Å; G544-Y547 VanDerWaalsContact O-CE2 3.32Å; G544-Y547 WeakPolarHBondContact O-CE2 3.38Å; G544-Y547 PolarHBondContact O-OH 2.8Å
545	L	86.8	Confident	93.7	Very high	48 Å²	48	45.3 Å²	45.3	25%	0.251	25%	0.249	S	C	.	.			trans	-123.3	-14.2	-175.4	-65.7	177.6	0	0	0	114.1	N541 N543 P631 I632	N541-L545 PolarHBondContact OD1-N 3.14Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 PolarHBondContact O-N 3.29Å; L545-P631 HydrophobicContact CD2-CG 4.37Å; L545-P631 WeakPolarHBondContact O-CA 3.42Å; L545-I632 PolarHBondContact O-N 2.85Å
546	N	91.2	Very high	93.6	Very high	46 Å²	46	43.8 Å²	43.8	25%	0.246	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-116.8	97.3	-179.3	-175.4	23	0	0	0	109.8	N540 N541 D548 I632	N540-N546 PolarHBondContact O-ND2 3.39Å; N541-N546 WeakPolarHBondContact CB-O 3.25Å; N541-N546 PolarHBondContact OD1-N 2.88Å; N541-N546 PolarHBondContact OD1-O 3.38Å; N546-D548 VanDerWaalsContact C-N 3.32Å; N546-D548 VanDerWaalsContact OD1-CB 3.31Å; N546-D548 WeakPolarHBondContact OD1-CB 3.33Å; N546-D548 PolarHBondContact OD1-N 2.86Å; N546-I632 HydrophobicContact CB-CD1 4.15Å
547	Y	92.8	Very high	93.5	Very high	48 Å²	48	48.4 Å²	48.4	19%	0.188	26%	0.26	C	S	.	.			trans	-97.1	18.5	177.7	-67.3	-96.1	0	0	0	111.9	H496 N541 G544 H549 D550 M637 W675	H496-Y547 HydrophobicContact CB-CE1 4.39Å; N541-Y547 VanDerWaalsContact ND2-CE1 3.28Å; N541-Y547 WeakPolarHBondContact ND2-CE1 3.27Å; N541-Y547 VanDerWaalsContact ND2-CZ 3.34Å; G544-Y547 VanDerWaalsContact O-CE2 3.32Å; G544-Y547 WeakPolarHBondContact O-CE2 3.38Å; G544-Y547 PolarHBondContact O-OH 2.8Å; Y547-H549 PolarHBondContact O-N 3.29Å; Y547-D550 WeakPolarHBondContact O-CB 2.88Å; Y547-D550 PolarHBondContact O-N 3.04Å; Y547-M637 VanDerWaalsContact O-CE 3.24Å; Y547-M637 WeakPolarHBondContact O-CE 3.31Å; Y547-W675 HydrophobicContact CD1-CB 4.24Å; Y547-W675 HydrophobicContact CD1-CG 4.44Å; Y547-W675 HydrophobicContact CD2-CB 4.07Å; Y547-W675 AromaticContact CD2-CD1 3.61Å; Y547-W675 HydrophobicContact CD2-CD2 4.35Å; Y547-W675 AromaticContact CD2-CG 3.75Å; Y547-W675 HydrophobicContact CD2-CG 3.75Å; Y547-W675 HydrophobicContact CE1-CB 4.23Å; Y547-W675 HydrophobicContact CE2-CB 4.06Å; Y547-W675 HydrophobicContact CE2-CG 4.17Å; Y547-W675 HydrophobicContact CG-CB 4.17Å; Y547-W675 AromaticContact CG-CD1 3.42Å; Y547-W675 VanDerWaalsContact CG-CD1 3.42Å; Y547-W675 AromaticContact CG-CG 3.92Å; Y547-W675 HydrophobicContact CG-CG 3.92Å
548	D	95.5	Very high	93.3	Very high	26 Å²	26	47.9 Å²	47.9	14%	0.139	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.8	176.8	-160	22.7	0	0	0	110.3	Y539 N546 D550 T634 N636 M637	Y539-D548 WeakPolarHBondContact CD2-O 3.4Å; N546-D548 VanDerWaalsContact C-N 3.32Å; N546-D548 VanDerWaalsContact OD1-CB 3.31Å; N546-D548 WeakPolarHBondContact OD1-CB 3.33Å; N546-D548 PolarHBondContact OD1-N 2.86Å; D548-D550 VanDerWaalsContact C-N 3.25Å; D548-D550 PolarHBondContact O-N 3.31Å; D548-T634 HydrophobicContact CB-CG2 3.92Å; D548-T634 VanDerWaalsContact CG-CG2 3.5Å; D548-T634 PolarHBondContact OD1-OG1 3.02Å; D548-N636 WeakPolarHBondContact OD1-CB 3.07Å; D548-N636 PolarHBondContact OD1-ND2 2.84Å; D548-M637 VanDerWaalsContact CA-CE 3.46Å; D548-M637 HydrophobicContact CB-CE 4.15Å
549	H	96.8	Very high	93.2	Very high	26 Å²	26	45 Å²	45	12%	0.12	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	32.5	-172.3	-42.7	-87.1	0	0	0	115.2	H536 Q538 Y539 Y547 I551 N636 Y694	H536-H549 HydrophobicContact CB-CB 4.35Å; H536-H549 AromaticContact CE1-ND1 3.57Å; H536-H549 WeakPolarHBondContact ND1-CB 3.39Å; H536-H549 AromaticContact ND1-CG 3.76Å; H536-H549 AromaticContact ND1-ND1 3.8Å; Q538-H549 HydrophobicContact CB-CB 4.28Å; Q538-H549 VanDerWaalsContact CB-CD2 3.47Å; Q538-H549 WeakPolarHBondContact CB-CD2 2.82Å; Q538-H549 PolarHBondContact OE1-CE1 3.13Å; Q538-H549 PolarHBondContact OE1-ND1 2.64Å; Y539-H549 WeakPolarHBondContact CB-O 3.33Å; Y547-H549 PolarHBondContact O-N 3.29Å; H549-I551 VanDerWaalsContact C-N 3.25Å; H549-I551 PolarHBondContact O-N 2.84Å; H549-N636 PolarHBondContact CE1-ND2 2.88Å; H549-Y694 VanDerWaalsContact CA-OH 3.22Å; H549-Y694 WeakPolarHBondContact CA-OH 3.48Å; H549-Y694 HydrophobicContact CB-CE1 4.16Å; H549-Y694 PolarHBondContact N-OH 2.83Å; H549-Y694 AromaticContact ND1-CE1 3.48Å; H549-Y694 WeakPolarHBondContact ND1-CE1 3.41Å; H549-Y694 AromaticContact ND1-CZ 3.68Å; H549-Y694 PolarHBondContact ND1-OH 3.33Å
550	D	97.2	Very high	93.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.			trans	-74.5	75.4	176.9	-175.8	29.6	0	0	0	112.4	A495 H496 Y539 Y547 D548 S674 T689	A495-D550 WeakPolarHBondContact CA-OD1 2.96Å; A495-D550 WeakPolarHBondContact CB-OD1 3.39Å; A495-D550 PolarHBondContact N-OD1 2.87Å; H496-D550 IonicContact CE1-OD2 3.09Å; H496-D550 PolarHBondContact CE1-OD2 2.75Å; H496-D550 IonicContact CG-OD1 3.63Å; H496-D550 IonicContact CG-OD2 2.77Å; H496-D550 PolarHBondContact N-OD1 3.5Å; H496-D550 IonicContact ND1-OD1 3.8Å; H496-D550 PolarHBondContact ND1-OD1 2.78Å; H496-D550 IonicContact ND1-OD2 3.02Å; H496-D550 PolarHBondContact ND1-OD2 2.98Å; Y539-D550 HydrophobicContact CD2-CB 4.06Å; Y539-D550 HydrophobicContact CE2-CB 3.79Å; Y547-D550 WeakPolarHBondContact O-CB 2.88Å; Y547-D550 PolarHBondContact O-N 3.04Å; D548-D550 VanDerWaalsContact C-N 3.25Å; D548-D550 PolarHBondContact O-N 3.31Å; D550-S674 WeakPolarHBondContact OD2-CB 3.35Å; D550-S674 PolarHBondContact OD2-OG 3.4Å; D550-T689 PolarHBondContact O-OG1 2.87Å
551	I	98.2	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.			trans	-147.3	139.4	-178.2	-177.6	174.5	0	0	0	110.7	L492 H536 H549 I672 T689 Y694 W697 I698	L492-I551 HydrophobicContact CD1-CD1 3.76Å; L492-I551 HydrophobicContact CD1-CG1 3.74Å; H536-I551 HydrophobicContact CB-CG2 3.67Å; H536-I551 PolarHBondContact N-O 3.48Å; H536-I551 VanDerWaalsContact N-O 3.15Å; H549-I551 VanDerWaalsContact C-N 3.25Å; H549-I551 PolarHBondContact O-N 2.84Å; I551-I672 HydrophobicContact CB-CD1 4.04Å; I551-I672 HydrophobicContact CD1-CD1 3.85Å; I551-I672 HydrophobicContact CG1-CD1 3.57Å; I551-T689 HydrophobicContact CB-CG2 4.25Å; I551-Y694 HydrophobicContact CD1-CD2 4.3Å; I551-Y694 HydrophobicContact CD1-CG 3.94Å; I551-Y694 HydrophobicContact CG2-CD1 3.83Å; I551-Y694 HydrophobicContact CG2-CD2 4.46Å; I551-Y694 HydrophobicContact CG2-CE1 4Å; I551-Y694 HydrophobicContact CG2-CG 4.07Å; I551-W697 HydrophobicContact CD1-CE3 4.16Å; I551-W697 HydrophobicContact CD1-CZ3 3.91Å; I551-W697 HydrophobicContact CG1-CE3 4.49Å; I551-W697 HydrophobicContact CG1-CZ3 3.81Å; I551-W697 HydrophobicContact CG2-CZ3 4.3Å; I551-I698 HydrophobicContact CD1-CD1 4.11Å; I551-I698 HydrophobicContact CD1-CG1 4.29Å
552	A	98	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156	175.5	0	0	0	0	0	111.9	T493 A495 V498 H534 V535	T493-A552 HydrophobicContact CG2-CB 4.25Å; T493-A552 PolarHBondContact N-O 3.25Å; T493-A552 PolarHBondContact O-N 2.95Å; T493-A552 VanDerWaalsContact O-O 3.09Å; A495-A552 HydrophobicContact CB-CB 4.49Å; V498-A552 HydrophobicContact CG1-CB 4.48Å; V498-A552 HydrophobicContact CG2-CB 3.61Å; H534-A552 CarbonylContact O-C 3.55Å; H534-A552 VanDerWaalsContact O-CA 3.25Å; H534-A552 WeakPolarHBondContact O-CA 3.44Å; V535-A552 HydrophobicContact CG2-CB 4.27Å
553	L	98.3	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.2	171.4	-72.1	172.4	0	0	0	110.4	I486 W490 I491 L492 V533 H534 W697 I698 I701 M702	I486-L553 HydrophobicContact CD1-CD2 3.76Å; W490-L553 HydrophobicContact CE3-CB 4.03Å; W490-L553 HydrophobicContact CE3-CD1 4.32Å; W490-L553 HydrophobicContact CZ3-CB 3.99Å; W490-L553 HydrophobicContact CZ3-CD1 4.3Å; I491-L553 WeakPolarHBondContact O-CA 3.05Å; L492-L553 HydrophobicContact CB-CD2 4.37Å; L492-L553 HydrophobicContact CD1-CD2 3.89Å; V533-L553 WeakPolarHBondContact CA-O 3.37Å; H534-L553 HydrophobicContact CB-CB 4.34Å; H534-L553 PolarHBondContact N-O 2.95Å; H534-L553 PolarHBondContact O-N 3.5Å; L553-W697 HydrophobicContact CB-CH2 4.4Å; L553-W697 HydrophobicContact CD1-CH2 4.19Å; L553-W697 HydrophobicContact CD1-CZ3 4.07Å; L553-W697 HydrophobicContact CG-CH2 3.97Å; L553-W697 HydrophobicContact CG-CZ3 3.92Å; L553-I698 HydrophobicContact CD1-CB 4.49Å; L553-I698 HydrophobicContact CD1-CG2 4.26Å; L553-I698 HydrophobicContact CD2-CG2 4.41Å; L553-I701 HydrophobicContact CD1-CB 3.84Å; L553-I701 HydrophobicContact CD1-CG2 3.71Å; L553-M702 HydrophobicContact CD1-CG 4.41Å
554	I	97.5	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	169.5	-55.4	173.8	0	0	0	108	I474 I491 T493 V498 F510 I512 A530 V533	I474-I554 HydrophobicContact CD1-CD1 3.93Å; I474-I554 HydrophobicContact CG2-CD1 4.47Å; I491-I554 HydrophobicContact CB-CB 4.28Å; I491-I554 PolarHBondContact N-O 2.72Å; I491-I554 PolarHBondContact O-N 3.1Å; T493-I554 HydrophobicContact CG2-CD1 4.09Å; T493-I554 HydrophobicContact CG2-CG1 4.26Å; V498-I554 HydrophobicContact CG1-CD1 3.98Å; V498-I554 HydrophobicContact CG1-CG1 4.25Å; F510-I554 HydrophobicContact CD1-CD1 4.16Å; F510-I554 HydrophobicContact CE1-CD1 4.32Å; I512-I554 HydrophobicContact CD1-CG2 3.79Å; A530-I554 HydrophobicContact CB-CG2 3.53Å; V533-I554 HydrophobicContact CG2-CG1 4.47Å
555	K	97.6	Very high	94.9	Very high	45 Å²	45	35.9 Å²	35.9	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122	175.5	-168.6	-177.5	179.9	-173.3	0	110	R489 W490 A530 T531 A532 N705	R489-K555 CarbonylContact O-C 3.59Å; R489-K555 WeakPolarHBondContact O-CA 2.88Å; W490-K555 HydrophobicContact CD2-CG 4.43Å; W490-K555 HydrophobicContact CE3-CB 4.08Å; W490-K555 HydrophobicContact CE3-CG 4.41Å; W490-K555 HydrophobicContact CH2-CB 3.81Å; W490-K555 HydrophobicContact CH2-CD 3.85Å; W490-K555 HydrophobicContact CH2-CG 3.87Å; W490-K555 HydrophobicContact CZ2-CB 4.29Å; W490-K555 HydrophobicContact CZ2-CD 3.79Å; W490-K555 HydrophobicContact CZ2-CG 3.85Å; W490-K555 HydrophobicContact CZ3-CB 3.69Å; W490-K555 HydrophobicContact CZ3-CG 4.15Å; A530-K555 CarbonylContact C-O 3.44Å; A530-K555 WeakPolarHBondContact CA-O 3.43Å; T531-K555 PolarHBondContact N-O 3.48Å; T531-K555 PolarHBondContact OG1-O 2.78Å; A532-K555 HydrophobicContact CB-CB 4.17Å; A532-K555 PolarHBondContact O-N 2.92Å; K555-N705 VanDerWaalsContact NZ-C 3.3Å; K555-N705 PolarHBondContact NZ-O 2.76Å
556	L	96.8	Very high	95.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	147.3	175.9	-62.9	176.8	0	0	0	111.5	R489 I491 I512 F514 L528 V560	R489-L556 PolarHBondContact O-N 2.89Å; I491-L556 HydrophobicContact CD1-CD1 4.33Å; I491-L556 HydrophobicContact CD1-CD2 3.84Å; I491-L556 HydrophobicContact CD1-CG 4.2Å; I491-L556 HydrophobicContact CG1-CD1 4.44Å; I491-L556 HydrophobicContact CG1-CG 4.39Å; I512-L556 HydrophobicContact CD1-CD2 3.99Å; I512-L556 HydrophobicContact CG2-CD2 4.39Å; F514-L556 HydrophobicContact CE2-CD1 4.38Å; L528-L556 HydrophobicContact CB-CD2 4.05Å; L528-L556 HydrophobicContact CD1-CD1 4.17Å; L556-V560 HydrophobicContact CD1-CG1 3.83Å
557	K	95.1	Very high	95.5	Very high	116 Å²	116	32.7 Å²	32.7	50%	0.504	17%	0.171	S	C	.	.	S	Bend	trans	-64.6	-46.2	175.8	-173.8	-179.9	175.3	-177.8	0	112.2	R489 N529 T531	R489-K557 PolarHBondContact NH1-O 3.4Å; N529-K557 HydrophobicContact CB-CB 4.12Å; N529-K557 HydrophobicContact CB-CD 4.37Å; N529-K557 WeakPolarHBondContact O-CB 3.22Å; N529-K557 PolarHBondContact O-N 2.8Å; T531-K557 VanDerWaalsContact CG2-CA 3.48Å; T531-K557 HydrophobicContact CG2-CB 3.65Å; T531-K557 HydrophobicContact CG2-CG 3.81Å
558	D	93.6	Very high	95.7	Very high	94 Å²	94	30.5 Å²	30.5	50%	0.503	16%	0.163	S	C	.	.	S	Bend	trans	-118.1	145.5	-176.6	-59.4	-59.5	0	0	0	109
559	P	93.6	Very high	95.8	Very high	59 Å²	59	29.3 Å²	29.3	38%	0.383	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-73.3	141.9	178.5	30.6	-23.2	0	0	0	109	D488 R489	D488-P559 HydrophobicContact CB-CB 4.19Å; D488-P559 CarbonylContact O-C 3.46Å; D488-P559 VanDerWaalsContact O-CA 3.31Å; D488-P559 WeakPolarHBondContact O-CA 3.44Å; R489-P559 HydrophobicContact CG-CB 3.85Å; R489-P559 VanDerWaalsContact CZ-CD 3.42Å
560	V	93.2	Very high	95.8	Very high	14 Å²	14	28.2 Å²	28.2	9%	0.085	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-83.6	144	172	-55.1	0	0	0	0	110.4	I485 D488 L528 L556 F562 I566	I485-V560 HydrophobicContact CD1-CB 4.44Å; I485-V560 HydrophobicContact CD1-CG1 4.45Å; I485-V560 HydrophobicContact CD1-CG2 3.22Å; D488-V560 PolarHBondContact O-N 2.82Å; L528-V560 HydrophobicContact CD1-CG1 3.64Å; L556-V560 HydrophobicContact CD1-CG1 3.83Å; V560-F562 HydrophobicContact CG2-CD1 4.14Å; V560-F562 HydrophobicContact CG2-CE1 3.72Å; V560-F562 HydrophobicContact CG2-CZ 4.21Å; V560-I566 HydrophobicContact CG2-CG2 4.21Å
561	T	93.9	Very high	95.7	Very high	95 Å²	95	30 Å²	30	58%	0.583	16%	0.161	S	C	*	.	P	Polyproline II helix	trans	-85.7	121.9	169.7	-54.5	0	0	0	0	108.8
562	F	95.9	Very high	95.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.018	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-73.3	135.1	176.2	-61	-56.8	0	0	0	112.6	F408 Y409 P441 I485 D488 V560 I566 P568	F408-F562 HydrophobicContact CB-CB 4.16Å; Y409-F562 AromaticContact CE1-CD2 3.85Å; Y409-F562 HydrophobicContact CE1-CD2 3.85Å; Y409-F562 HydrophobicContact CE2-CB 3.99Å; Y409-F562 AromaticContact CZ-CD2 3.76Å; Y409-F562 PolarHBondContact OH-N 3.39Å; P441-F562 HydrophobicContact CB-CD2 3.6Å; P441-F562 HydrophobicContact CB-CE2 3.46Å; P441-F562 VanDerWaalsContact CB-CE2 3.46Å; P441-F562 HydrophobicContact CB-CZ 4.5Å; P441-F562 HydrophobicContact CG-CD2 3.82Å; P441-F562 HydrophobicContact CG-CE2 3.48Å; P441-F562 VanDerWaalsContact CG-CE2 3.48Å; I485-F562 HydrophobicContact CD1-CE1 3.7Å; I485-F562 HydrophobicContact CD1-CZ 4.21Å; I485-F562 HydrophobicContact CG1-CE1 4.11Å; I485-F562 HydrophobicContact CG1-CZ 4.45Å; D488-F562 HydrophobicContact CB-CE2 3.97Å; D488-F562 HydrophobicContact CB-CZ 4.16Å; V560-F562 HydrophobicContact CG2-CD1 4.14Å; V560-F562 HydrophobicContact CG2-CE1 3.72Å; V560-F562 HydrophobicContact CG2-CZ 4.21Å; F562-I566 VanDerWaalsContact CA-O 3.28Å; F562-I566 WeakPolarHBondContact CA-O 3.43Å; F562-I566 HydrophobicContact CD1-CG2 4.26Å; F562-I566 WeakPolarHBondContact CD1-O 3.01Å; F562-P568 HydrophobicContact CD1-CG 4.36Å; F562-P568 HydrophobicContact CD2-CG 4.34Å; F562-P568 HydrophobicContact CE1-CB 4Å; F562-P568 VanDerWaalsContact CE1-CD 3.47Å; F562-P568 HydrophobicContact CE1-CG 3.89Å; F562-P568 HydrophobicContact CE2-CG 3.89Å; F562-P568 HydrophobicContact CZ-CB 3.79Å; F562-P568 HydrophobicContact CZ-CG 3.62Å
563	E	94.6	Very high	95	Very high	100 Å²	100	32.9 Å²	32.9	47%	0.467	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-152.4	-177	-178.7	62.3	174.3	-176.6	0	0	109.2	A565 I566 M567	E563-A565 HydrophobicContact CG-CB 4.42Å; E563-A565 PolarHBondContact O-N 2.84Å; E563-I566 PolarHBondContact N-O 2.98Å; E563-I566 CarbonylContact O-C 3.48Å; E563-I566 VanDerWaalsContact O-C 3.3Å; E563-I566 PolarHBondContact O-N 2.02Å; E563-M567 WeakPolarHBondContact O-CG 2.98Å
564	A	94.1	Very high	94	Very high	27 Å²	27	42.6 Å²	42.6	22%	0.223	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33	-176.2	0	0	0	0	0	113.6	F408 H466	F408-A564 HydrophobicContact CE1-CB 4.21Å; F408-A564 HydrophobicContact CZ-CB 4.2Å; F408-A564 VanDerWaalsContact CZ-N 3.34Å; H466-A564 WeakPolarHBondContact CB-O 3.49Å
565	A	92.8	Very high	92.8	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-24.2	-179.3	0	0	0	0	0	113.9	P469 G515 E563	P469-A565 WeakPolarHBondContact CA-O 3.16Å; G515-A565 WeakPolarHBondContact CA-O 3.49Å; E563-A565 HydrophobicContact CG-CB 4.42Å; E563-A565 PolarHBondContact O-N 2.84Å
566	I	94.9	Very high	92.1	Very high	25 Å²	25	48.8 Å²	48.8	13%	0.128	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-135.2	111.1	-173.2	-48.3	178.9	0	0	0	108.4	P469 I485 F514 V560 F562 E563	P469-I566 WeakPolarHBondContact O-CA 3.28Å; I485-I566 HydrophobicContact CD1-CG2 4.42Å; I485-I566 HydrophobicContact CG2-CG2 4.47Å; F514-I566 HydrophobicContact CB-CD1 3.71Å; F514-I566 HydrophobicContact CB-CG1 3.85Å; F514-I566 HydrophobicContact CB-CG2 4.24Å; F514-I566 HydrophobicContact CG-CG2 4.37Å; V560-I566 HydrophobicContact CG2-CG2 4.21Å; F562-I566 VanDerWaalsContact CA-O 3.28Å; F562-I566 WeakPolarHBondContact CA-O 3.43Å; F562-I566 HydrophobicContact CD1-CG2 4.26Å; F562-I566 WeakPolarHBondContact CD1-O 3.01Å; E563-I566 PolarHBondContact N-O 2.98Å; E563-I566 CarbonylContact O-C 3.48Å; E563-I566 VanDerWaalsContact O-C 3.3Å; E563-I566 PolarHBondContact O-N 2.02Å
567	M	95.8	Very high	91.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.281	C	S	.	.			trans	-142.2	143.6	178.4	-58.5	-175.6	67.4	0	0	109.3	F408 R445 T447 P469 W470 I485 E563	F408-M567 HydrophobicContact CD1-CE 3.98Å; F408-M567 HydrophobicContact CD1-CG 4.28Å; F408-M567 HydrophobicContact CD1-SD 3.98Å; F408-M567 HydrophobicContact CE1-SD 4.24Å; R445-M567 WeakPolarHBondContact O-CE 3.37Å; T447-M567 HydrophobicContact CG2-SD 4.22Å; P469-M567 CarbonylContact C-O 3.58Å; P469-M567 HydrophobicContact CB-CB 3.9Å; P469-M567 HydrophobicContact CB-CG 4Å; P469-M567 HydrophobicContact CG-CB 3.76Å; P469-M567 HydrophobicContact CG-CG 4.07Å; P469-M567 HydrophobicContact CG-SD 4.3Å; P469-M567 PolarHBondContact O-N 3.02Å; P469-M567 VanDerWaalsContact O-N 3.14Å; W470-M567 VanDerWaalsContact CA-O 3.23Å; W470-M567 WeakPolarHBondContact CA-O 3.43Å; W470-M567 WeakPolarHBondContact CB-O 3.35Å; W470-M567 PolarHBondContact N-O 3.36Å; I485-M567 WeakPolarHBondContact CG2-O 3.25Å; E563-M567 WeakPolarHBondContact O-CG 2.98Å
568	P	97.3	Very high	91	Very high	2 Å²	2	48 Å²	48	1%	0.013	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-74.1	148.4	-176.7	28.6	-26	0	0	0	110.6	P441 C443 G444 I485 F562	P441-P568 HydrophobicContact CB-CG 3.99Å; C443-P568 CarbonylContact C-O 3.51Å; C443-P568 VanDerWaalsContact CA-O 3.23Å; C443-P568 WeakPolarHBondContact CA-O 3.33Å; C443-P568 HydrophobicContact CB-CB 4.38Å; C443-P568 HydrophobicContact CB-CG 4.08Å; G444-P568 PolarHBondContact N-O 3.09Å; I485-P568 CarbonylContact O-C 3.58Å; I485-P568 WeakPolarHBondContact O-CA 3.09Å; F562-P568 HydrophobicContact CD1-CG 4.36Å; F562-P568 HydrophobicContact CD2-CG 4.34Å; F562-P568 HydrophobicContact CE1-CB 4Å; F562-P568 VanDerWaalsContact CE1-CD 3.47Å; F562-P568 HydrophobicContact CE1-CG 3.89Å; F562-P568 HydrophobicContact CE2-CG 3.89Å; F562-P568 HydrophobicContact CZ-CB 3.79Å; F562-P568 HydrophobicContact CZ-CG 3.62Å
569	L	96.6	Very high	90.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-87.8	141.7	168.7	-172.1	62.1	0	0	0	109.7	W470 M484 I485 T659 F667 A669	W470-L569 HydrophobicContact CB-CB 3.73Å; W470-L569 HydrophobicContact CD2-CB 4.14Å; W470-L569 HydrophobicContact CD2-CD1 3.72Å; W470-L569 HydrophobicContact CD2-CD2 4.47Å; W470-L569 HydrophobicContact CD2-CG 4.33Å; W470-L569 HydrophobicContact CE3-CB 4.45Å; W470-L569 HydrophobicContact CE3-CD1 3.84Å; W470-L569 HydrophobicContact CG-CB 3.82Å; W470-L569 HydrophobicContact CG-CD1 4.22Å; W470-L569 HydrophobicContact CG-CD2 4.21Å; W470-L569 HydrophobicContact CG-CG 4.32Å; W470-L569 HydrophobicContact CH2-CD1 4.28Å; W470-L569 HydrophobicContact CZ2-CD1 4.17Å; W470-L569 HydrophobicContact CZ3-CD1 4.12Å; M484-L569 HydrophobicContact CB-CD2 4.35Å; M484-L569 HydrophobicContact CG-CD2 4.09Å; M484-L569 HydrophobicContact SD-CD2 3.39Å; M484-L569 WeakPolarHBondContact SD-CD2 3.48Å; I485-L569 PolarHBondContact O-N 2.67Å; L569-T659 HydrophobicContact CD1-CG2 4.13Å; L569-T659 HydrophobicContact CD2-CG2 3.53Å; L569-F667 HydrophobicContact CD1-CB 3.67Å; L569-F667 WeakPolarHBondContact CD1-O 3.34Å; L569-A669 HydrophobicContact CD2-CB 3.59Å; L569-A669 HydrophobicContact CG-CB 4.11Å
570	C	96.6	Very high	90.5	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.027	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.3	146.4	177.3	-58.9	0	0	0	0	111.3	C443 R666 F667 W668 A669	C443-C570 HydrophobicContact CB-CB 4.01Å; C443-C570 WeakPolarHBondContact CB-SG 3.28Å; C443-C570 PolarHBondContact O-SG 2.8Å; C443-C570 WeakPolarHBondContact SG-CA 3.33Å; C443-C570 WeakPolarHBondContact SG-CB 3.38Å; C443-C570 CovalentContact SG-SG 2.04Å; C443-C570 PolarHBondContact SG-SG 2.03Å; C570-R666 VanDerWaalsContact SG-CD 3.58Å; C570-R666 VanDerWaalsContact SG-CG 3.59Å; C570-F667 WeakPolarHBondContact CB-O 3.42Å; C570-W668 HydrophobicContact CB-CB 4.04Å; C570-W668 CarbonylContact O-C 3.49Å; C570-W668 VanDerWaalsContact O-CA 3.24Å; C570-W668 WeakPolarHBondContact O-CA 3.15Å; C570-W668 WeakPolarHBondContact O-CB 3.43Å; C570-A669 PolarHBondContact O-N 2.81Å
571	L	96.2	Very high	90.2	Very high	37 Å²	37	50.5 Å²	50.5	19%	0.194	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-75.3	152.6	164.4	-65.5	177.7	0	0	0	110.2	I486 L492 V691 I698	I486-L571 HydrophobicContact CB-CD2 4.37Å; I486-L571 HydrophobicContact CD1-CD2 4.15Å; I486-L571 HydrophobicContact CG2-CD2 4.12Å; L492-L571 HydrophobicContact CD2-CD2 4.44Å; L571-V691 HydrophobicContact CD2-CG1 4.45Å; L571-I698 HydrophobicContact CD1-CG2 3.68Å; L571-I698 HydrophobicContact CD2-CD1 4.03Å; L571-I698 HydrophobicContact CD2-CG2 4.36Å
572	P	93.9	Very high	90.1	Very high	8 Å²	8	49 Å²	49	5%	0.052	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.5	143	172.9	17.2	-22.9	0	0	0	111.5	D576 W668 A669 V691 A692 V695	P572-D576 HydrophobicContact CB-CB 4.44Å; P572-W668 HydrophobicContact CB-CE3 3.62Å; P572-W668 HydrophobicContact CB-CZ3 3.7Å; P572-W668 HydrophobicContact CG-CE3 4.31Å; P572-W668 HydrophobicContact CG-CZ3 4.43Å; P572-A669 WeakPolarHBondContact CD-O 3.5Å; P572-V691 HydrophobicContact CG-CB 4.07Å; P572-V691 HydrophobicContact CG-CG1 3.77Å; P572-A692 HydrophobicContact CB-CB 4.22Å; P572-A692 HydrophobicContact CG-CB 4.14Å; P572-V695 HydrophobicContact CG-CG2 3.68Å
573	S	87.7	Confident	89.7	Confident	52 Å²	52	52.9 Å²	52.9	36%	0.364	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-93	168.5	169.5	65.1	0	0	0	0	111.2	D575 D576	S573-D575 PolarHBondContact O-N 2.73Å; S573-D576 WeakPolarHBondContact CB-OD2 3.41Å; S573-D576 PolarHBondContact N-OD2 2.61Å; S573-D576 PolarHBondContact O-N 2.93Å; S573-D576 VanDerWaalsContact OG-CG 3.25Å; S573-D576 PolarHBondContact OG-OD2 3.13Å
574	E	75.8	Confident	89.5	Confident	204 Å²	204	48.1 Å²	48.1	95%	0.953	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.9	177.4	-67.9	-174.5	173.5	0	0	113
575	D	73.3	Confident	89.4	Confident	148 Å²	148	47.3 Å²	47.3	79%	0.791	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.9	-179.5	-62	-43	0	0	0	113.4	S573 T577	S573-D575 PolarHBondContact O-N 2.73Å; D575-T577 PolarHBondContact O-N 3.06Å
576	D	82.2	Confident	89.3	Confident	28 Å²	28	47.2 Å²	47.2	15%	0.15	27%	0.266	C	S	.	.			trans	-76.9	122.8	-175.7	-74.7	-50.8	0	0	0	111.7	P572 S573 R666 W668	P572-D576 HydrophobicContact CB-CB 4.44Å; S573-D576 WeakPolarHBondContact CB-OD2 3.41Å; S573-D576 PolarHBondContact N-OD2 2.61Å; S573-D576 PolarHBondContact O-N 2.93Å; S573-D576 VanDerWaalsContact OG-CG 3.25Å; S573-D576 PolarHBondContact OG-OD2 3.13Å; D576-R666 IonicContact OD1-NH2 3.88Å; D576-R666 IonicContact OD2-NH2 3.78Å; D576-W668 HydrophobicContact CB-CD2 4.43Å; D576-W668 HydrophobicContact CB-CE3 4.45Å; D576-W668 HydrophobicContact CB-CH2 3.75Å; D576-W668 HydrophobicContact CB-CZ2 3.72Å; D576-W668 HydrophobicContact CB-CZ3 4.1Å
577	T	81.5	Confident	89	Confident	68 Å²	68	46.2 Å²	46.2	42%	0.417	26%	0.26	S	S	.	.			trans	-101.2	161.2	-175.6	55.2	0	0	0	0	113.2	D575 M582	D575-T577 PolarHBondContact O-N 3.06Å; T577-M582 VanDerWaalsContact OG1-CE 3.28Å; T577-M582 WeakPolarHBondContact OG1-CE 3.41Å
578	Y	88	Confident	88.6	Confident	32 Å²	32	46.2 Å²	46.2	13%	0.125	26%	0.261	C	S	.	.			trans	-123	46.8	-178.2	-70.6	-103.3	0	0	0	110.9	F638 W668 A670 K690 A692	Y578-F638 HydrophobicContact CD1-CD1 4.17Å; Y578-F638 HydrophobicContact CD1-CE1 4.2Å; Y578-F638 HydrophobicContact CD1-CG 4.37Å; Y578-F638 HydrophobicContact CD1-CZ 4.45Å; Y578-F638 HydrophobicContact CE1-CD1 4.07Å; Y578-F638 AromaticContact CE1-CE1 3.8Å; Y578-F638 HydrophobicContact CE1-CE1 3.8Å; Y578-F638 HydrophobicContact CE1-CZ 4.24Å; Y578-W668 HydrophobicContact CD2-CH2 4.47Å; Y578-W668 HydrophobicContact CE1-CH2 4.31Å; Y578-W668 HydrophobicContact CE1-CZ3 4.36Å; Y578-W668 AromaticContact CE2-CH2 3.98Å; Y578-W668 HydrophobicContact CE2-CH2 3.98Å; Y578-W668 HydrophobicContact CE2-CZ3 4.13Å; Y578-W668 AromaticContact CZ-CH2 3.91Å; Y578-W668 AromaticContact CZ-CZ3 3.77Å; Y578-A670 HydrophobicContact CE1-CB 3.9Å; Y578-A670 VanDerWaalsContact CE1-O 3.23Å; Y578-A670 WeakPolarHBondContact CE1-O 3.39Å; Y578-A670 PolarHBondContact OH-O 3.01Å; Y578-K690 HydrophobicContact CD1-CG 4.45Å; Y578-K690 VanDerWaalsContact CD2-CE 3.42Å; Y578-K690 HydrophobicContact CE1-CG 3.89Å; Y578-K690 HydrophobicContact CE2-CD 4.48Å; Y578-K690 VanDerWaalsContact CE2-CE 3.47Å; Y578-K690 HydrophobicContact CE2-CG 4.19Å; Y578-A692 HydrophobicContact CE2-CB 3.76Å; Y578-A692 WeakPolarHBondContact OH-CB 3.43Å; Y578-A692 PolarHBondContact OH-N 3.25Å
579	D	88.1	Confident	87.9	Confident	94 Å²	94	46.3 Å²	46.3	50%	0.503	26%	0.261	S	S	.	.			trans	-67.3	141.2	-171.7	-62.3	-34.3	0	0	0	112	G581 M582	D579-G581 PolarHBondContact O-N 3.39Å; D579-M582 HydrophobicContact CB-CE 3.94Å; D579-M582 HydrophobicContact CB-CG 4.08Å; D579-M582 HydrophobicContact CB-SD 4.15Å; D579-M582 WeakPolarHBondContact O-CB 3.09Å; D579-M582 WeakPolarHBondContact O-CG 3.46Å; D579-M582 PolarHBondContact O-N 2.05Å; D579-M582 VanDerWaalsContact O-N 3.08Å
580	S	88.8	Confident	86.8	Confident	82 Å²	82	46.3 Å²	46.3	57%	0.573	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	129.6	176.5	-172.8	0	0	0	0	110.2
581	G	87.2	Confident	85.5	Confident	44 Å²	44	48.2 Å²	48.2	45%	0.454	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-10.7	-177	0	0	0	0	0	115.2	D579 I583 V612	D579-G581 PolarHBondContact O-N 3.39Å; G581-I583 PolarHBondContact O-N 2.87Å; G581-V612 PolarHBondContact N-O 3.06Å
582	M	90.4	Very high	83.7	Confident	63 Å²	63	47.4 Å²	47.4	31%	0.31	27%	0.267	S	S	.	.			trans	-57.6	128.7	170.7	-75	-171.3	166.5	0	0	110.3	T577 D579 G584 P611 V612 L660	T577-M582 VanDerWaalsContact OG1-CE 3.28Å; T577-M582 WeakPolarHBondContact OG1-CE 3.41Å; D579-M582 HydrophobicContact CB-CE 3.94Å; D579-M582 HydrophobicContact CB-CG 4.08Å; D579-M582 HydrophobicContact CB-SD 4.15Å; D579-M582 WeakPolarHBondContact O-CB 3.09Å; D579-M582 WeakPolarHBondContact O-CG 3.46Å; D579-M582 PolarHBondContact O-N 2.05Å; D579-M582 VanDerWaalsContact O-N 3.08Å; M582-G584 PolarHBondContact O-N 2.84Å; M582-P611 CarbonylContact O-C 3.57Å; M582-P611 VanDerWaalsContact O-CA 3.31Å; M582-P611 WeakPolarHBondContact O-CA 3.43Å; M582-V612 HydrophobicContact CB-CG2 4.26Å; M582-V612 PolarHBondContact O-N 3.11Å; M582-L660 HydrophobicContact CB-CD2 4.08Å; M582-L660 HydrophobicContact SD-CD1 4.39Å
583	I	88.8	Confident	82	Confident	86 Å²	86	51.4 Å²	51.4	44%	0.441	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.6	-177.6	-56.6	-58.3	0	0	0	109	G581 H609 P611	G581-I583 PolarHBondContact O-N 2.87Å; I583-H609 HydrophobicContact CG2-CB 3.75Å; I583-P611 HydrophobicContact CD1-CB 3.87Å
584	G	90.1	Very high	80.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.2	172.6	0	0	0	0	0	112.9	M582 H609 I610 T659	M582-G584 PolarHBondContact O-N 2.84Å; G584-H609 VanDerWaalsContact O-CA 3.29Å; G584-H609 WeakPolarHBondContact O-CA 3.16Å; G584-I610 PolarHBondContact N-O 3.03Å; G584-I610 PolarHBondContact O-N 3.08Å; G584-T659 CarbonylContact C-O 3.59Å; G584-T659 WeakPolarHBondContact CA-O 3.47Å
585	L	91	Very high	78.8	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.052	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.4	171.3	171.6	77	0	0	0	108.6	I468 W470 Y607 T659 F667	I468-L585 HydrophobicContact CD1-CD2 4.31Å; I468-L585 HydrophobicContact CG1-CD2 4.49Å; W470-L585 HydrophobicContact CZ2-CD2 4.43Å; L585-Y607 HydrophobicContact CD1-CD2 3.36Å; L585-Y607 HydrophobicContact CD1-CE2 4.28Å; L585-Y607 HydrophobicContact CD1-CG 3.92Å; L585-T659 WeakPolarHBondContact CB-OG1 3.15Å; L585-T659 PolarHBondContact N-O 2.94Å; L585-T659 PolarHBondContact O-N 3.11Å; L585-T659 PolarHBondContact O-OG1 2.95Å; L585-F667 HydrophobicContact CD2-CE1 4.24Å
586	V	90.6	Very high	77.4	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.2	171.5	-175.5	0	0	0	0	109.1	Y607 V608 I610 F658 V673 Y688	V586-Y607 CarbonylContact O-C 3.54Å; V586-Y607 WeakPolarHBondContact O-CA 3.04Å; V586-V608 HydrophobicContact CB-CG1 4.17Å; V586-V608 PolarHBondContact N-O 3.05Å; V586-V608 PolarHBondContact O-N 3.04Å; V586-I610 HydrophobicContact CG2-CD1 3.83Å; V586-I610 HydrophobicContact CG2-CG1 4.02Å; V586-F658 HydrophobicContact CG2-CB 4.18Å; V586-F658 HydrophobicContact CG2-CD2 3.18Å; V586-F658 HydrophobicContact CG2-CE2 3.76Å; V586-F658 HydrophobicContact CG2-CG 3.95Å; V586-V673 HydrophobicContact CG1-CG2 3.96Å; V586-Y688 HydrophobicContact CG1-CE1 4.5Å; V586-Y688 HydrophobicContact CG2-CE1 4.19Å
587	S	90	Very high	75.9	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	176.9	56.4	0	0	0	0	112.3	Q471 K606 S656	Q471-S587 PolarHBondContact OE1-OG 3.27Å; S587-K606 WeakPolarHBondContact CA-O 3.42Å; S587-K606 WeakPolarHBondContact CB-O 3.31Å; S587-S656 WeakPolarHBondContact O-CB 3.34Å; S587-S656 PolarHBondContact O-OG 2.77Å
588	G	87.6	Confident	74.7	Confident	1 Å²	1	65 Å²	65	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	179.5	174.1	0	0	0	0	0	114	K606 D653	G588-K606 PolarHBondContact N-O 2.79Å; G588-K606 PolarHBondContact O-N 2.96Å; G588-D653 WeakPolarHBondContact CA-OD1 3.3Å
589	F	82.6	Confident	73.4	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.018	37%	0.368	C	S	.	.	S	Bend	trans	-106.6	30.5	-178	-62.6	-87.1	0	0	0	111.7	Q471 F473 V519 I522 L605 G652 D653	Q471-F589 HydrophobicContact CG-CE2 4.14Å; F473-F589 HydrophobicContact CB-CE2 4.05Å; F473-F589 AromaticContact CD2-CD2 3.64Å; F473-F589 HydrophobicContact CD2-CD2 3.64Å; F473-F589 AromaticContact CD2-CE2 3.91Å; F473-F589 HydrophobicContact CD2-CE2 3.91Å; F473-F589 HydrophobicContact CD2-CG 4.09Å; F473-F589 HydrophobicContact CE2-CD2 4.41Å; F473-F589 HydrophobicContact CE2-CG 4.45Å; F473-F589 HydrophobicContact CG-CE2 4.43Å; V519-F589 HydrophobicContact CG2-CD1 3.54Å; V519-F589 HydrophobicContact CG2-CE1 3.89Å; V519-F589 HydrophobicContact CG2-CG 4.21Å; I522-F589 HydrophobicContact CD1-CE1 3.82Å; I522-F589 HydrophobicContact CD1-CE2 4.21Å; I522-F589 HydrophobicContact CD1-CZ 3.43Å; I522-F589 VanDerWaalsContact CD1-CZ 3.43Å; F589-L605 HydrophobicContact CD1-CB 4.26Å; F589-L605 HydrophobicContact CD2-CD1 4.1Å; F589-L605 HydrophobicContact CE1-CB 3.58Å; F589-L605 HydrophobicContact CE1-CD1 4.28Å; F589-L605 HydrophobicContact CE1-CG 4.5Å; F589-L605 HydrophobicContact CE2-CB 4.47Å; F589-L605 HydrophobicContact CE2-CD1 3.77Å; F589-L605 HydrophobicContact CG-CD1 4.5Å; F589-L605 HydrophobicContact CZ-CB 3.69Å; F589-L605 HydrophobicContact CZ-CD1 3.86Å; F589-L605 HydrophobicContact CZ-CG 4.23Å; F589-G652 CarbonylContact C-O 3.54Å; F589-D653 PolarHBondContact N-OD1 3.49Å
590	G	73.3	Confident	72.4	Confident	2 Å²	2	68.7 Å²	68.7	2%	0.021	36%	0.36	C	S	.	.			trans	-74	-175.4	-174.2	0	0	0	0	0	116	T602 Q651 G652 D653	G590-T602 VanDerWaalsContact O-CG2 3.23Å; G590-T602 WeakPolarHBondContact O-CG2 3.49Å; G590-T602 PolarHBondContact O-N 2.76Å; G590-Q651 CarbonylContact C-O 3.57Å; G590-Q651 WeakPolarHBondContact CA-O 3.2Å; G590-G652 VanDerWaalsContact CA-C 3.45Å; G590-G652 PolarHBondContact N-O 3.4Å; G590-D653 VanDerWaalsContact CA-OD1 3.22Å; G590-D653 WeakPolarHBondContact CA-OD1 3.38Å; G590-D653 PolarHBondContact N-OD1 3.27Å
591	I	68.1	Low	71.6	Confident	43 Å²	43	69 Å²	69	22%	0.221	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.9	-179.9	-69.2	178.5	0	0	0	110.7	R599 F600 L601 C650 Q651	I591-R599 HydrophobicContact CG2-CB 3.5Å; I591-R599 VanDerWaalsContact CG2-CB 3.5Å; I591-R599 HydrophobicContact CG2-CG 3.7Å; I591-F600 WeakPolarHBondContact CA-O 3.47Å; I591-L601 HydrophobicContact CG1-CD2 4.36Å; I591-L601 HydrophobicContact CG1-CG 4.44Å; I591-C650 HydrophobicContact CB-CB 4.48Å; I591-Q651 HydrophobicContact CD1-CB 3.74Å; I591-Q651 HydrophobicContact CG1-CB 4.24Å; I591-Q651 WeakPolarHBondContact CG1-O 3.47Å; I591-Q651 PolarHBondContact N-O 3.28Å
592	T	58.7	Low	71.3	Confident	20 Å²	20	67.3 Å²	67.3	12%	0.123	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.8	173.2	60.6	0	0	0	0	111.6	F600 T602 K606	T592-F600 PolarHBondContact N-O 2.78Å; T592-F600 PolarHBondContact O-N 2.71Å; T592-F600 WeakPolarHBondContact OG1-CZ 2.85Å; T592-T602 HydrophobicContact CG2-CG2 4.26Å; T592-K606 HydrophobicContact CG2-CG 3.91Å
593	D	58.9	Low	71	Confident	93 Å²	93	66.8 Å²	66.8	50%	0.497	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.8	176.5	-76.3	-32.2	0	0	0	110.5	R599	D593-R599 WeakPolarHBondContact OD1-CG 3.44Å
594	K	49.8	Very low	71	Confident	155 Å²	155	66.8 Å²	66.8	67%	0.674	33%	0.331	S	S	*	.			trans	-105.4	97	164.4	-89	-178.1	177.8	-178.2	0	109.2	N596 F600	K594-N596 PolarHBondContact O-N 3.44Å; K594-F600 HydrophobicContact CB-CE1 3.71Å; K594-F600 HydrophobicContact CB-CZ 4.35Å; K594-F600 HydrophobicContact CD-CE1 3.79Å; K594-F600 HydrophobicContact CD-CZ 3.69Å; K594-F600 HydrophobicContact CG-CE1 3.58Å; K594-F600 HydrophobicContact CG-CZ 3.7Å
595	G	45.8	Very low	71	Confident	82 Å²	82	67 Å²	67	85%	0.845	33%	0.332	S	S	*	.	S	Bend	trans	49.8	-14.7	154	0	0	0	0	0	121.6
596	N	43.7	Very low	70.8	Confident	142 Å²	142	68.6 Å²	68.6	76%	0.759	34%	0.338	S	S	*	.	S	Bend	trans	-138.4	30.1	-165.4	-75.5	-5.5	0	0	0	111.2	K594 R598	K594-N596 PolarHBondContact O-N 3.44Å; N596-R598 PolarHBondContact O-N 2.93Å
597	Q	51.7	Low	70.7	Confident	197 Å²	197	69.1 Å²	69.1	92%	0.921	34%	0.34	S	S	*	.	S	Bend	trans	60.7	11.7	173	-60.9	-176.4	-20.5	0	0	117.6
598	R	55	Low	70.5	Confident	210 Å²	210	69.6 Å²	69.6	79%	0.792	34%	0.343	S	S	*	.			trans	-99.2	110.5	170.9	-71.9	-173.3	179.4	175.7	0.3	110.7	N596	N596-R598 PolarHBondContact O-N 2.93Å
599	R	60.9	Low	70.4	Confident	124 Å²	124	71.9 Å²	71.9	47%	0.468	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.8	169.5	-80.7	178.3	-178.4	-177.3	-3.3	110.1	I591 D593 C679	I591-R599 HydrophobicContact CG2-CB 3.5Å; I591-R599 VanDerWaalsContact CG2-CB 3.5Å; I591-R599 HydrophobicContact CG2-CG 3.7Å; D593-R599 WeakPolarHBondContact OD1-CG 3.44Å; R599-C679 PolarHBondContact NH2-O 2.67Å; R599-C679 VanDerWaalsContact NH2-O 3.11Å
600	F	68.3	Low	70.7	Confident	79 Å²	79	71.7 Å²	71.7	35%	0.346	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.9	174.9	66	-81.3	0	0	0	111.6	I591 T592 K594 T602	I591-F600 WeakPolarHBondContact CA-O 3.47Å; T592-F600 PolarHBondContact N-O 2.78Å; T592-F600 PolarHBondContact O-N 2.71Å; T592-F600 WeakPolarHBondContact OG1-CZ 2.85Å; K594-F600 HydrophobicContact CB-CE1 3.71Å; K594-F600 HydrophobicContact CB-CZ 4.35Å; K594-F600 HydrophobicContact CD-CE1 3.79Å; K594-F600 HydrophobicContact CD-CZ 3.69Å; K594-F600 HydrophobicContact CG-CE1 3.58Å; K594-F600 HydrophobicContact CG-CZ 3.7Å; F600-T602 PolarHBondContact O-N 2.73Å
601	L	71.6	Confident	71.5	Confident	88 Å²	88	72.9 Å²	72.9	46%	0.461	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.7	173.3	-79.2	156.3	0	0	0	109.8	I591	I591-L601 HydrophobicContact CG1-CD2 4.36Å; I591-L601 HydrophobicContact CG1-CG 4.44Å
602	T	79.9	Confident	72.6	Confident	8 Å²	8	71.1 Å²	71.1	5%	0.049	35%	0.351	C	S	.	.			trans	-72.1	147.5	174.6	-174.2	0	0	0	0	110.7	R480 G590 T592 F600 K604 K606	R480-T602 PolarHBondContact NH1-O 2.85Å; G590-T602 VanDerWaalsContact O-CG2 3.23Å; G590-T602 WeakPolarHBondContact O-CG2 3.49Å; G590-T602 PolarHBondContact O-N 2.76Å; T592-T602 HydrophobicContact CG2-CG2 4.26Å; F600-T602 PolarHBondContact O-N 2.73Å; T602-K604 WeakPolarHBondContact CG2-O 3.24Å; T602-K604 PolarHBondContact OG1-N 2.78Å; T602-K604 PolarHBondContact OG1-O 2.92Å; T602-K606 HydrophobicContact CG2-CG 4.04Å
603	N	85.3	Confident	74.2	Confident	52 Å²	52	70.7 Å²	70.7	28%	0.278	35%	0.349	S	S	.	.	S	Bend	trans	-97.3	-6.8	165.1	-68.7	-23.5	0	0	0	111.8	R480 D518 V519 H520	R480-N603 PolarHBondContact NH1-OD1 2.83Å; D518-N603 CarbonylContact C-O 3.51Å; D518-N603 VanDerWaalsContact CA-O 3.27Å; D518-N603 WeakPolarHBondContact CA-O 3.33Å; V519-N603 HydrophobicContact CB-CB 4.07Å; V519-N603 HydrophobicContact CG2-CB 4.42Å; V519-N603 WeakPolarHBondContact CG2-O 3.41Å; V519-N603 PolarHBondContact N-O 3.02Å; H520-N603 PolarHBondContact CE1-ND2 2.81Å; H520-N603 PolarHBondContact NE2-ND2 2.83Å
604	K	88.7	Confident	75.8	Confident	87 Å²	87	71.8 Å²	71.8	38%	0.378	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-100.8	135.2	173.8	-66.4	-62	-164.8	-177.4	0	110.2	D462 T517 D518 T602 K606	D462-K604 VanDerWaalsContact OD1-CB 3.26Å; D462-K604 WeakPolarHBondContact OD1-CB 3.5Å; T517-K604 CarbonylContact O-C 3.56Å; T517-K604 WeakPolarHBondContact O-CA 3.07Å; D518-K604 HydrophobicContact CB-CD 4.06Å; D518-K604 WeakPolarHBondContact OD2-CD 3.35Å; D518-K604 WeakPolarHBondContact OD2-CE 3.31Å; D518-K604 IonicContact OD2-NZ 3.47Å; D518-K604 PolarHBondContact OD2-NZ 2.94Å; T602-K604 WeakPolarHBondContact CG2-O 3.24Å; T602-K604 PolarHBondContact OG1-N 2.78Å; T602-K604 PolarHBondContact OG1-O 2.92Å; K604-K606 PolarHBondContact O-N 2.94Å
605	L	90.1	Very high	77.6	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-57.7	121.3	171.2	179.7	59.2	0	0	0	108.3	A463 I468 Q471 T517 F589	A463-L605 HydrophobicContact CB-CB 4.08Å; A463-L605 HydrophobicContact CB-CD2 3.85Å; A463-L605 HydrophobicContact CB-CG 3.74Å; A463-L605 WeakPolarHBondContact CB-O 3.21Å; A463-L605 PolarHBondContact N-O 3.23Å; I468-L605 HydrophobicContact CB-CD2 4.42Å; Q471-L605 HydrophobicContact CB-CD2 4.24Å; Q471-L605 HydrophobicContact CG-CD1 3.81Å; Q471-L605 HydrophobicContact CG-CD2 4.06Å; T517-L605 HydrophobicContact CG2-CB 4.4Å; T517-L605 HydrophobicContact CG2-CD2 4.15Å; T517-L605 PolarHBondContact O-N 2.87Å; F589-L605 HydrophobicContact CD1-CB 4.26Å; F589-L605 HydrophobicContact CD2-CD1 4.1Å; F589-L605 HydrophobicContact CE1-CB 3.58Å; F589-L605 HydrophobicContact CE1-CD1 4.28Å; F589-L605 HydrophobicContact CE1-CG 4.5Å; F589-L605 HydrophobicContact CE2-CB 4.47Å; F589-L605 HydrophobicContact CE2-CD1 3.77Å; F589-L605 HydrophobicContact CG-CD1 4.5Å; F589-L605 HydrophobicContact CZ-CB 3.69Å; F589-L605 HydrophobicContact CZ-CD1 3.86Å; F589-L605 HydrophobicContact CZ-CG 4.23Å
606	K	87.2	Confident	79.6	Confident	43 Å²	43	69 Å²	69	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	156.4	176	-65.2	-63.4	-169	175.4	0	110	N461 D462 S587 G588 T592 T602 K604	N461-K606 CarbonylContact O-C 3.58Å; N461-K606 VanDerWaalsContact O-CA 3.25Å; N461-K606 WeakPolarHBondContact O-CA 3.3Å; N461-K606 WeakPolarHBondContact O-CD 3.31Å; D462-K606 WeakPolarHBondContact OD1-CD 3.42Å; D462-K606 WeakPolarHBondContact OD1-CE 3.43Å; D462-K606 IonicContact OD1-NZ 2.71Å; D462-K606 PolarHBondContact OD1-NZ 2.82Å; D462-K606 IonicContact OD2-NZ 3.86Å; D462-K606 PolarHBondContact OD2-NZ 2.82Å; S587-K606 WeakPolarHBondContact CA-O 3.42Å; S587-K606 WeakPolarHBondContact CB-O 3.31Å; G588-K606 PolarHBondContact N-O 2.79Å; G588-K606 PolarHBondContact O-N 2.96Å; T592-K606 HydrophobicContact CG2-CG 3.91Å; T602-K606 HydrophobicContact CG2-CG 4.04Å; K604-K606 PolarHBondContact O-N 2.94Å
607	Y	88.1	Confident	81.8	Confident	14 Å²	14	68 Å²	68	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.3	167.7	77.8	-86.7	0	0	0	112.3	N450 G460 N461 D462 A463 I468 L585 V586 H609	N450-Y607 HydrophobicContact CB-CE1 4.12Å; N450-Y607 HydrophobicContact CB-CE2 4.17Å; G460-Y607 CarbonylContact C-O 3.58Å; G460-Y607 WeakPolarHBondContact CA-O 3.33Å; N461-Y607 HydrophobicContact CB-CD1 4.05Å; N461-Y607 HydrophobicContact CB-CE1 3.46Å; N461-Y607 VanDerWaalsContact CB-CE1 3.46Å; N461-Y607 HydrophobicContact CB-CE2 4.23Å; N461-Y607 PolarHBondContact N-O 2.99Å; N461-Y607 PolarHBondContact ND2-OH 3.45Å; N461-Y607 WeakPolarHBondContact O-CD1 3.26Å; N461-Y607 PolarHBondContact O-N 2.89Å; D462-Y607 WeakPolarHBondContact O-CE1 3.42Å; A463-Y607 HydrophobicContact CB-CD1 3.95Å; I468-Y607 HydrophobicContact CD1-CG 4.35Å; L585-Y607 HydrophobicContact CD1-CD2 3.36Å; L585-Y607 HydrophobicContact CD1-CE2 4.28Å; L585-Y607 HydrophobicContact CD1-CG 3.92Å; V586-Y607 CarbonylContact O-C 3.54Å; V586-Y607 WeakPolarHBondContact O-CA 3.04Å; Y607-H609 AromaticContact CE2-CE1 3.8Å; Y607-H609 AromaticContact CE2-ND1 3.99Å
608	V	85.4	Confident	83.5	Confident	14 Å²	14	58.6 Å²	58.6	9%	0.085	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.7	176.5	69.5	0	0	0	0	111	V586 I610 K647	V586-V608 HydrophobicContact CB-CG1 4.17Å; V586-V608 PolarHBondContact N-O 3.05Å; V586-V608 PolarHBondContact O-N 3.04Å; V608-I610 HydrophobicContact CG1-CG2 4.23Å; V608-I610 HydrophobicContact CG2-CG2 4.09Å; V608-K647 HydrophobicContact CG2-CB 3.82Å; V608-K647 HydrophobicContact CG2-CD 3.8Å; V608-K647 HydrophobicContact CG2-CG 3.83Å
609	H	86.2	Confident	85.1	Confident	49 Å²	49	50.7 Å²	50.7	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.5	170.6	-69.2	103.5	0	0	0	109.9	I583 G584 Y607	I583-H609 HydrophobicContact CG2-CB 3.75Å; G584-H609 VanDerWaalsContact O-CA 3.29Å; G584-H609 WeakPolarHBondContact O-CA 3.16Å; Y607-H609 AromaticContact CE2-CE1 3.8Å; Y607-H609 AromaticContact CE2-ND1 3.99Å
610	I	87.3	Confident	86.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.9	-179.7	53.4	170.5	0	0	0	111.2	G584 V586 V608 A640 K647 F658 Y688	G584-I610 PolarHBondContact N-O 3.03Å; G584-I610 PolarHBondContact O-N 3.08Å; V586-I610 HydrophobicContact CG2-CD1 3.83Å; V586-I610 HydrophobicContact CG2-CG1 4.02Å; V608-I610 HydrophobicContact CG1-CG2 4.23Å; V608-I610 HydrophobicContact CG2-CG2 4.09Å; I610-A640 HydrophobicContact CD1-CB 3.73Å; I610-A640 HydrophobicContact CG1-CB 4.13Å; I610-K647 HydrophobicContact CG2-CB 3.93Å; I610-F658 HydrophobicContact CD1-CD2 4.43Å; I610-F658 HydrophobicContact CD1-CE2 3.95Å; I610-F658 HydrophobicContact CG1-CE2 3.81Å; I610-Y688 VanDerWaalsContact CD1-OH 3.3Å; I610-Y688 WeakPolarHBondContact CD1-OH 3.26Å
611	P	90.2	Very high	87.1	Confident	27 Å²	27	45.4 Å²	45.4	18%	0.175	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.1	179.4	30.8	-33.4	0	0	0	111.5	M582 I583 A640 G641	M582-P611 CarbonylContact O-C 3.57Å; M582-P611 VanDerWaalsContact O-CA 3.31Å; M582-P611 WeakPolarHBondContact O-CA 3.43Å; I583-P611 HydrophobicContact CD1-CB 3.87Å; P611-A640 WeakPolarHBondContact O-CA 3.2Å; P611-A640 VanDerWaalsContact O-CB 3.28Å; P611-A640 WeakPolarHBondContact O-CB 3.03Å; P611-G641 PolarHBondContact O-N 3.41Å
612	V	92.5	Very high	87.8	Confident	6 Å²	6	41.5 Å²	41.5	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138	162	177.6	0	0	0	0	108.9	G581 M582 F638 F658	G581-V612 PolarHBondContact N-O 3.06Å; M582-V612 HydrophobicContact CB-CG2 4.26Å; M582-V612 PolarHBondContact O-N 3.11Å; V612-F638 HydrophobicContact CG1-CD2 4.21Å; V612-F638 HydrophobicContact CG2-CE2 4.3Å; V612-F658 HydrophobicContact CG2-CE1 3.94Å; V612-F658 HydrophobicContact CG2-CZ 3.82Å
613	V	91.7	Very high	88	Confident	11 Å²	11	48 Å²	48	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.9	-177.5	-179.4	0	0	0	0	109.8	R617 C618 C639 G641 Y685	V613-R617 HydrophobicContact CG1-CB 3.93Å; V613-R617 HydrophobicContact CG1-CG 4.06Å; V613-C618 WeakPolarHBondContact CG1-SG 2.99Å; V613-C639 PolarHBondContact N-O 3.37Å; V613-C639 PolarHBondContact O-SG 2.93Å; V613-G641 WeakPolarHBondContact CG2-O 3.04Å; V613-Y685 HydrophobicContact CG1-CE1 4.2Å; V613-Y685 HydrophobicContact CG1-CE2 4.42Å; V613-Y685 HydrophobicContact CG2-CD1 3.94Å; V613-Y685 HydrophobicContact CG2-CE1 3.94Å
614	E	91.6	Very high	87.9	Confident	116 Å²	116	53.5 Å²	53.5	54%	0.542	26%	0.26	S	S	.	.			trans	-58.8	136.2	176.3	-172.8	178.1	-165.8	0	0	112.5	E616 R617 C618	E614-E616 VanDerWaalsContact C-N 3.27Å; E614-E616 PolarHBondContact O-N 2.81Å; E614-R617 WeakPolarHBondContact O-CB 3.49Å; E614-R617 PolarHBondContact O-N 2.77Å; E614-C618 PolarHBondContact O-N 3.15Å
615	Q	88.3	Confident	87.6	Confident	52 Å²	52	51.1 Å²	51.1	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-37.3	-174	-167.6	71.7	-14.8	0	0	113.4	R617 C618 S619 T634 M637	Q615-R617 VanDerWaalsContact C-N 3.34Å; Q615-R617 PolarHBondContact O-N 3.1Å; Q615-C618 PolarHBondContact O-N 2.86Å; Q615-S619 WeakPolarHBondContact O-CB 3.4Å; Q615-S619 PolarHBondContact O-N 2.99Å; Q615-S619 PolarHBondContact O-OG 3.18Å; Q615-T634 PolarHBondContact NE2-O 3.44Å; Q615-T634 VanDerWaalsContact NE2-O 3.09Å; Q615-M637 PolarHBondContact NE2-O 3.06Å; Q615-M637 VanDerWaalsContact NE2-O 3.1Å; Q615-M637 PolarHBondContact OE1-O 2.79Å
616	E	89.1	Confident	87.3	Confident	125 Å²	125	54.9 Å²	54.9	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-42.8	177.9	-160	-159.7	143.1	0	0	111	E614 C618 S619 N620	E614-E616 VanDerWaalsContact C-N 3.27Å; E614-E616 PolarHBondContact O-N 2.81Å; E616-C618 VanDerWaalsContact C-N 3.29Å; E616-C618 PolarHBondContact O-N 2.85Å; E616-S619 PolarHBondContact O-N 2.96Å; E616-N620 VanDerWaalsContact O-CB 3.27Å; E616-N620 WeakPolarHBondContact O-CB 3.31Å; E616-N620 PolarHBondContact O-N 2.83Å; E616-N620 PolarHBondContact O-ND2 2.93Å; E616-N620 VanDerWaalsContact O-ND2 3.16Å; E616-N620 PolarHBondContact OE1-ND2 2.94Å
617	R	89.3	Confident	86.9	Confident	121 Å²	121	64.3 Å²	64.3	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-35.6	179.6	-170.8	173.9	-176.6	179.1	2.9	111.8	V613 E614 Q615 N620 S621 Y685	V613-R617 HydrophobicContact CG1-CB 3.93Å; V613-R617 HydrophobicContact CG1-CG 4.06Å; E614-R617 WeakPolarHBondContact O-CB 3.49Å; E614-R617 PolarHBondContact O-N 2.77Å; Q615-R617 VanDerWaalsContact C-N 3.34Å; Q615-R617 PolarHBondContact O-N 3.1Å; R617-N620 PolarHBondContact O-N 3.44Å; R617-S621 PolarHBondContact O-N 3.09Å; R617-S621 VanDerWaalsContact O-N 3.1Å; R617-Y685 HydrophobicContact CG-CE2 4.35Å; R617-Y685 PolarHBondContact NE-OH 3.03Å
618	C	87.4	Confident	86.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-74.9	-37.4	175.7	-67	0	0	0	0	113.2	V613 E614 Q615 E616 N620 S621 C639 Y685 F687	V613-C618 WeakPolarHBondContact CG1-SG 2.99Å; E614-C618 PolarHBondContact O-N 3.15Å; Q615-C618 PolarHBondContact O-N 2.86Å; E616-C618 VanDerWaalsContact C-N 3.29Å; E616-C618 PolarHBondContact O-N 2.85Å; C618-N620 PolarHBondContact O-N 3Å; C618-S621 PolarHBondContact O-N 3.07Å; C618-S621 PolarHBondContact O-OG 2.7Å; C618-C639 HydrophobicContact CB-CB 3.63Å; C618-C639 WeakPolarHBondContact CB-SG 3.33Å; C618-C639 WeakPolarHBondContact SG-CB 3.43Å; C618-C639 CovalentContact SG-SG 1.96Å; C618-C639 PolarHBondContact SG-SG 3.43Å; C618-Y685 HydrophobicContact CB-CD2 4.31Å; C618-Y685 VanDerWaalsContact SG-CD2 3.53Å; C618-F687 HydrophobicContact CB-CE1 4.04Å; C618-F687 HydrophobicContact CB-CZ 3.92Å
619	S	87.2	Confident	86.3	Confident	45 Å²	45	76.7 Å²	76.7	32%	0.315	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-36.1	171.2	-62.5	0	0	0	0	111.5	Q615 E616 L622	Q615-S619 WeakPolarHBondContact O-CB 3.4Å; Q615-S619 PolarHBondContact O-N 2.99Å; Q615-S619 PolarHBondContact O-OG 3.18Å; E616-S619 PolarHBondContact O-N 2.96Å; S619-L622 PolarHBondContact O-N 2.02Å
620	N	87.7	Confident	86.2	Confident	57 Å²	57	78.1 Å²	78.1	31%	0.305	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-35.9	178.2	-75.1	-28.2	0	0	0	113	E616 R617 C618 L622 K623	E616-N620 VanDerWaalsContact O-CB 3.27Å; E616-N620 WeakPolarHBondContact O-CB 3.31Å; E616-N620 PolarHBondContact O-N 2.83Å; E616-N620 PolarHBondContact O-ND2 2.93Å; E616-N620 VanDerWaalsContact O-ND2 3.16Å; E616-N620 PolarHBondContact OE1-ND2 2.94Å; R617-N620 PolarHBondContact O-N 3.44Å; C618-N620 PolarHBondContact O-N 3Å; N620-L622 PolarHBondContact O-N 2.87Å; N620-K623 WeakPolarHBondContact O-CB 3.48Å; N620-K623 PolarHBondContact O-N 2.89Å; N620-K623 WeakPolarHBondContact OD1-CE 3.23Å; N620-K623 PolarHBondContact OD1-NZ 3.38Å
621	S	85.5	Confident	86.2	Confident	34 Å²	34	78.8 Å²	78.8	24%	0.238	38%	0.38	C	S	.	.	H	α-helix	trans	-64.5	-25.4	178.1	66.9	0	0	0	0	113.2	R617 C618 G683	R617-S621 PolarHBondContact O-N 3.09Å; R617-S621 VanDerWaalsContact O-N 3.1Å; C618-S621 PolarHBondContact O-N 3.07Å; C618-S621 PolarHBondContact O-OG 2.7Å; S621-G683 VanDerWaalsContact CB-O 3.3Å; S621-G683 WeakPolarHBondContact CB-O 3.24Å
622	L	86.2	Confident	86.1	Confident	7 Å²	7	81.7 Å²	81.7	4%	0.037	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-86.7	-2.5	179.2	-56.9	173.7	0	0	0	113.9	S619 N620 L624 I625 V633 W675 I677 F687	S619-L622 PolarHBondContact O-N 2.02Å; N620-L622 PolarHBondContact O-N 2.87Å; L622-L624 VanDerWaalsContact C-N 3.26Å; L622-L624 PolarHBondContact O-N 2.84Å; L622-I625 HydrophobicContact CB-CD1 4.46Å; L622-I625 HydrophobicContact CD2-CD1 3.71Å; L622-I625 PolarHBondContact O-N 2.92Å; L622-V633 HydrophobicContact CD1-CG2 3.39Å; L622-W675 HydrophobicContact CD1-CH2 3.84Å; L622-W675 HydrophobicContact CD2-CH2 4.47Å; L622-W675 HydrophobicContact CD2-CZ3 4.41Å; L622-I677 HydrophobicContact CD2-CD1 3.67Å; L622-F687 HydrophobicContact CD1-CE1 4.49Å; L622-F687 HydrophobicContact CD1-CE2 4.24Å; L622-F687 HydrophobicContact CD1-CZ 3.75Å; L622-F687 HydrophobicContact CD2-CE2 4.36Å; L622-F687 HydrophobicContact CG-CZ 4.28Å
623	K	84.1	Confident	85.9	Confident	143 Å²	143	83.2 Å²	83.2	62%	0.622	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64	-29.2	-176.7	-77.7	179	170.2	170.5	0	113.6	N620 I625	N620-K623 WeakPolarHBondContact O-CB 3.48Å; N620-K623 PolarHBondContact O-N 2.89Å; N620-K623 WeakPolarHBondContact OD1-CE 3.23Å; N620-K623 PolarHBondContact OD1-NZ 3.38Å; K623-I625 PolarHBondContact O-N 2.89Å
624	L	81.4	Confident	86	Confident	168 Å²	168	83.9 Å²	83.9	88%	0.88	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-80.1	-4.4	-178.6	-63.9	174	0	0	0	113.4	L622	L622-L624 VanDerWaalsContact C-N 3.26Å; L622-L624 PolarHBondContact O-N 2.84Å
625	I	82.9	Confident	86	Confident	38 Å²	38	85 Å²	85	20%	0.195	42%	0.416	C	S	.	.	S	Bend	trans	-87.7	133	-177.3	-55.6	-174.9	0	0	0	109.8	L622 K623 R627 R629 K630 I677	L622-I625 HydrophobicContact CB-CD1 4.46Å; L622-I625 HydrophobicContact CD2-CD1 3.71Å; L622-I625 PolarHBondContact O-N 2.92Å; K623-I625 PolarHBondContact O-N 2.89Å; I625-R627 PolarHBondContact O-N 2.82Å; I625-R629 HydrophobicContact CG2-CB 4.5Å; I625-K630 HydrophobicContact CG2-CB 4.38Å; I625-I677 HydrophobicContact CD1-CD1 3.22Å; I625-I677 HydrophobicContact CD1-CG2 4.24Å
626	P	84.1	Confident	86.3	Confident	83 Å²	83	84.2 Å²	84.2	54%	0.539	41%	0.413	S	S	.	.			trans	-54.4	137.1	177.1	-25.4	33.6	0	0	0	112.2	S628 R629 K630	P626-S628 PolarHBondContact O-N 2.83Å; P626-R629 CarbonylContact O-C 3.52Å; P626-R629 PolarHBondContact O-N 2.86Å; P626-K630 PolarHBondContact O-N 2.81Å; P626-K630 VanDerWaalsContact O-N 3.12Å
627	R	78.3	Confident	86.5	Confident	240 Å²	240	78.5 Å²	78.5	91%	0.906	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.9	-178.1	-81.9	-173.5	174.1	164.1	-1.9	113.9	I625 R629	I625-R627 PolarHBondContact O-N 2.82Å; R627-R629 PolarHBondContact O-N 3.04Å
628	S	79.8	Confident	86.7	Confident	98 Å²	98	73.2 Å²	73.2	69%	0.685	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14.3	179	54.1	0	0	0	0	114.6	P626	P626-S628 PolarHBondContact O-N 2.83Å
629	R	81.6	Confident	86.9	Confident	190 Å²	190	73.2 Å²	73.2	72%	0.717	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-127.4	9.4	-179.7	-63.8	-173.1	-180	174.6	0	112.8	I625 P626 R627 P631	I625-R629 HydrophobicContact CG2-CB 4.5Å; P626-R629 CarbonylContact O-C 3.52Å; P626-R629 PolarHBondContact O-N 2.86Å; R627-R629 PolarHBondContact O-N 3.04Å; R629-P631 WeakPolarHBondContact O-CD 3.34Å
630	K	84.6	Confident	87.1	Confident	80 Å²	80	71.1 Å²	71.1	35%	0.348	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-82	119.6	-175.7	-171.9	-179.3	-179.7	-174.8	0	109.5	I625 P626	I625-K630 HydrophobicContact CG2-CB 4.38Å; P626-K630 PolarHBondContact O-N 2.81Å; P626-K630 VanDerWaalsContact O-N 3.12Å
631	P	86.6	Confident	87.1	Confident	13 Å²	13	68.4 Å²	68.4	8%	0.084	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68	156.2	174.6	-21.7	36.5	0	0	0	112.3	L545 R629 W675 I677	L545-P631 HydrophobicContact CD2-CG 4.37Å; L545-P631 WeakPolarHBondContact O-CA 3.42Å; R629-P631 WeakPolarHBondContact O-CD 3.34Å; P631-W675 HydrophobicContact CB-CD2 4.49Å; P631-W675 HydrophobicContact CB-CE3 4.14Å; P631-W675 HydrophobicContact CB-CH2 3.55Å; P631-W675 HydrophobicContact CB-CZ2 3.92Å; P631-W675 HydrophobicContact CB-CZ3 3.68Å; P631-W675 HydrophobicContact CG-CE3 4.09Å; P631-W675 HydrophobicContact CG-CH2 4.01Å; P631-W675 HydrophobicContact CG-CZ3 3.64Å; P631-I677 HydrophobicContact CG-CD1 3.89Å
632	I	87.8	Confident	86.9	Confident	89 Å²	89	68 Å²	68	46%	0.456	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-88.6	125.5	177.7	-59.5	173.1	0	0	0	108.7	L545 N546 T634	L545-I632 PolarHBondContact O-N 2.85Å; N546-I632 HydrophobicContact CB-CD1 4.15Å; I632-T634 HydrophobicContact CG2-CG2 3.92Å
633	V	89.6	Confident	86.4	Confident	38 Å²	38	69.4 Å²	69.4	23%	0.23	34%	0.344	C	S	.	.			trans	-104.1	129.3	173.2	-177.7	0	0	0	0	107.8	L622 W675 F687	L622-V633 HydrophobicContact CD1-CG2 3.39Å; V633-W675 HydrophobicContact CG2-CH2 4.07Å; V633-W675 HydrophobicContact CG2-CZ2 4Å; V633-F687 HydrophobicContact CB-CE1 4.42Å; V633-F687 HydrophobicContact CG1-CD1 4.39Å; V633-F687 HydrophobicContact CG1-CE1 3.88Å; V633-F687 HydrophobicContact CG2-CD1 4.29Å; V633-F687 HydrophobicContact CG2-CE1 3.59Å; V633-F687 HydrophobicContact CG2-CZ 4.04Å
634	T	92.4	Very high	86	Confident	24 Å²	24	69.3 Å²	69.3	15%	0.147	35%	0.345	C	S	.	.			trans	-122.6	169.6	-178.6	67.3	0	0	0	0	110.6	D548 Q615 I632 N636 M637	D548-T634 HydrophobicContact CB-CG2 3.92Å; D548-T634 VanDerWaalsContact CG-CG2 3.5Å; D548-T634 PolarHBondContact OD1-OG1 3.02Å; Q615-T634 PolarHBondContact NE2-O 3.44Å; Q615-T634 VanDerWaalsContact NE2-O 3.09Å; I632-T634 HydrophobicContact CG2-CG2 3.92Å; T634-N636 PolarHBondContact O-N 2.04Å; T634-N636 PolarHBondContact OG1-N 3.33Å; T634-M637 PolarHBondContact O-N 2.97Å; T634-M637 VanDerWaalsContact O-N 3.08Å
635	D	92.1	Very high	85.5	Confident	139 Å²	139	61.9 Å²	61.9	74%	0.743	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.3	176.2	-62	-29.4	0	0	0	113.2	N693	D635-N693 PolarHBondContact O-ND2 3.24Å
636	N	94.2	Very high	84.8	Confident	36 Å²	36	60.9 Å²	60.9	19%	0.193	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.1	170.6	-59.2	-41.3	0	0	0	113.1	D548 H549 T634 K690 N693 Y694	D548-N636 WeakPolarHBondContact OD1-CB 3.07Å; D548-N636 PolarHBondContact OD1-ND2 2.84Å; H549-N636 PolarHBondContact CE1-ND2 2.88Å; T634-N636 PolarHBondContact O-N 2.04Å; T634-N636 PolarHBondContact OG1-N 3.33Å; N636-K690 WeakPolarHBondContact O-CB 3.26Å; N636-K690 PolarHBondContact O-N 2.85Å; N636-N693 PolarHBondContact OD1-ND2 2.78Å; N636-Y694 HydrophobicContact CB-CE2 4.18Å; N636-Y694 WeakPolarHBondContact CB-OH 3.47Å; N636-Y694 VanDerWaalsContact CG-OH 3.28Å; N636-Y694 PolarHBondContact ND2-OH 3.17Å
637	M	94.2	Very high	83.9	Confident	5 Å²	5	59 Å²	59	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.2	178	-55.5	178.8	-165.8	0	0	110.3	Y547 D548 Q615 T634 W675 Y688	Y547-M637 VanDerWaalsContact O-CE 3.24Å; Y547-M637 WeakPolarHBondContact O-CE 3.31Å; D548-M637 VanDerWaalsContact CA-CE 3.46Å; D548-M637 HydrophobicContact CB-CE 4.15Å; Q615-M637 PolarHBondContact NE2-O 3.06Å; Q615-M637 VanDerWaalsContact NE2-O 3.1Å; Q615-M637 PolarHBondContact OE1-O 2.79Å; T634-M637 PolarHBondContact O-N 2.97Å; T634-M637 VanDerWaalsContact O-N 3.08Å; M637-W675 HydrophobicContact SD-CZ2 4.3Å; M637-W675 PolarHBondContact SD-NE1 3.1Å; M637-Y688 VanDerWaalsContact CA-O 3.26Å; M637-Y688 WeakPolarHBondContact CA-O 3.33Å
638	F	93.9	Very high	83	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	172.3	160.9	72.9	-81.5	0	0	0	109	Y578 V612 F658 Y688 K690	Y578-F638 HydrophobicContact CD1-CD1 4.17Å; Y578-F638 HydrophobicContact CD1-CE1 4.2Å; Y578-F638 HydrophobicContact CD1-CG 4.37Å; Y578-F638 HydrophobicContact CD1-CZ 4.45Å; Y578-F638 HydrophobicContact CE1-CD1 4.07Å; Y578-F638 AromaticContact CE1-CE1 3.8Å; Y578-F638 HydrophobicContact CE1-CE1 3.8Å; Y578-F638 HydrophobicContact CE1-CZ 4.24Å; V612-F638 HydrophobicContact CG1-CD2 4.21Å; V612-F638 HydrophobicContact CG2-CE2 4.3Å; F638-F658 AromaticContact CE2-CD1 3.95Å; F638-F658 HydrophobicContact CE2-CD1 3.95Å; F638-F658 HydrophobicContact CE2-CD2 4.37Å; F638-F658 AromaticContact CE2-CE1 3.94Å; F638-F658 HydrophobicContact CE2-CE1 3.94Å; F638-F658 HydrophobicContact CE2-CE2 4.4Å; F638-F658 HydrophobicContact CE2-CG 4.19Å; F638-F658 HydrophobicContact CE2-CZ 4.19Å; F638-F658 HydrophobicContact CZ-CB 4.31Å; F638-F658 AromaticContact CZ-CD1 3.73Å; F638-F658 HydrophobicContact CZ-CD1 3.73Å; F638-F658 HydrophobicContact CZ-CE1 4.17Å; F638-F658 AromaticContact CZ-CG 3.95Å; F638-F658 HydrophobicContact CZ-CG 3.95Å; F638-Y688 HydrophobicContact CD2-CD2 4.47Å; F638-Y688 HydrophobicContact CE2-CD2 4.07Å; F638-Y688 HydrophobicContact CE2-CG 4.26Å; F638-Y688 HydrophobicContact CZ-CD2 4.35Å; F638-Y688 HydrophobicContact CZ-CG 4.07Å; F638-Y688 PolarHBondContact N-O 3.05Å; F638-Y688 PolarHBondContact O-N 2.89Å; F638-K690 HydrophobicContact CD1-CB 4.02Å; F638-K690 HydrophobicContact CD1-CG 4.23Å
639	C	91.8	Very high	82.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.4	-178.8	54.6	0	0	0	0	110.7	V613 C618 G686 F687	V613-C639 PolarHBondContact N-O 3.37Å; V613-C639 PolarHBondContact O-SG 2.93Å; C618-C639 HydrophobicContact CB-CB 3.63Å; C618-C639 WeakPolarHBondContact CB-SG 3.33Å; C618-C639 WeakPolarHBondContact SG-CB 3.43Å; C618-C639 CovalentContact SG-SG 1.96Å; C618-C639 PolarHBondContact SG-SG 3.43Å; C639-G686 CarbonylContact C-O 3.57Å; C639-G686 WeakPolarHBondContact CA-O 3.12Å; C639-G686 WeakPolarHBondContact CB-O 3.47Å; C639-F687 HydrophobicContact CB-CD1 4.14Å; C639-F687 HydrophobicContact CB-CE1 4.08Å; C639-F687 HydrophobicContact CB-CZ 4.4Å
640	A	90.9	Very high	81.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.2	176.4	0	0	0	0	0	110.6	I610 P611 F658 G686 Y688	I610-A640 HydrophobicContact CD1-CB 3.73Å; I610-A640 HydrophobicContact CG1-CB 4.13Å; P611-A640 WeakPolarHBondContact O-CA 3.2Å; P611-A640 VanDerWaalsContact O-CB 3.28Å; P611-A640 WeakPolarHBondContact O-CB 3.03Å; A640-F658 HydrophobicContact CB-CD2 4.14Å; A640-F658 HydrophobicContact CB-CE2 3.3Å; A640-F658 HydrophobicContact CB-CZ 3.84Å; A640-G686 PolarHBondContact N-O 3.47Å; A640-G686 PolarHBondContact O-N 2.87Å; A640-G686 VanDerWaalsContact O-N 3.07Å; A640-Y688 HydrophobicContact CB-CD2 4.24Å; A640-Y688 HydrophobicContact CB-CE2 3.66Å
641	G	87.1	Confident	80	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.01	21%	0.212	C	C	.	.			trans	151	162.5	178.7	0	0	0	0	0	113.2	P611 V613	P611-G641 PolarHBondContact O-N 3.41Å; V613-G641 WeakPolarHBondContact CG2-O 3.04Å
642	T	82	Confident	78.7	Confident	26 Å²	26	39.3 Å²	39.3	16%	0.16	22%	0.215	C	C	.	.			trans	-87.8	133.5	178.2	50	0	0	0	0	110.9	E644 G645	T642-E644 PolarHBondContact O-N 3.42Å; T642-E644 VanDerWaalsContact O-N 3.11Å; T642-G645 PolarHBondContact O-N 2.96Å; T642-G645 PolarHBondContact OG1-O 3.41Å
643	P	75.9	Confident	78.1	Confident	36 Å²	36	35.9 Å²	35.9	23%	0.234	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.4	178.8	-25.8	34.5	0	0	0	114.3	G645 K682 G683	P643-G645 PolarHBondContact O-N 3.45Å; P643-K682 WeakPolarHBondContact O-CG 3.35Å; P643-G683 PolarHBondContact O-N 3.45Å; P643-G683 VanDerWaalsContact O-N 3.14Å
644	E	75.5	Confident	77.9	Confident	140 Å²	140	35.2 Å²	35.2	65%	0.654	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.3	-179.4	-59.7	72	-151.3	0	0	113.1	T642	T642-E644 PolarHBondContact O-N 3.42Å; T642-E644 VanDerWaalsContact O-N 3.11Å
645	G	70.6	Confident	77.8	Confident	13 Å²	13	34.1 Å²	34.1	13%	0.134	19%	0.187	C	C	.	.			trans	75.3	-168.4	-168.7	0	0	0	0	0	112.8	T642 P643 K647 Q681	T642-G645 PolarHBondContact O-N 2.96Å; T642-G645 PolarHBondContact OG1-O 3.41Å; P643-G645 PolarHBondContact O-N 3.45Å; G645-K647 VanDerWaalsContact C-N 3.29Å; G645-K647 PolarHBondContact O-N 3.29Å; G645-Q681 WeakPolarHBondContact CA-O 3.5Å
646	G	67	Low	77.8	Confident	17 Å²	17	27.5 Å²	27.5	18%	0.175	15%	0.152	C	C	.	.	S	Bend	trans	82.8	-14.6	177.1	0	0	0	0	0	116.3	I458 G459 G680	I458-G646 WeakPolarHBondContact CA-O 3.34Å; I458-G646 WeakPolarHBondContact CG2-O 3.48Å; G459-G646 PolarHBondContact N-O 3.19Å; G459-G646 VanDerWaalsContact N-O 3.07Å; G646-G680 PolarHBondContact N-O 3.03Å
647	K	65.4	Low	77.8	Confident	43 Å²	43	25.8 Å²	25.8	19%	0.187	14%	0.143	C	C	.	.			trans	-131.4	116.3	172.5	-70.2	-177.2	176	-172.5	0	109	Q455 I457 V608 I610 G645	Q455-K647 PolarHBondContact O-NZ 2.88Å; Q455-K647 VanDerWaalsContact O-NZ 3.17Å; I457-K647 WeakPolarHBondContact O-CE 3.33Å; V608-K647 HydrophobicContact CG2-CB 3.82Å; V608-K647 HydrophobicContact CG2-CD 3.8Å; V608-K647 HydrophobicContact CG2-CG 3.83Å; I610-K647 HydrophobicContact CG2-CB 3.93Å; G645-K647 VanDerWaalsContact C-N 3.29Å; G645-K647 PolarHBondContact O-N 3.29Å
648	D	60.4	Low	77.8	Confident	23 Å²	23	25.5 Å²	25.5	12%	0.123	14%	0.142	C	C	.	.			trans	-160.2	157.1	-177.7	-155.5	-3.6	0	0	0	110.5	C679 G680 G686	D648-C679 WeakPolarHBondContact OD2-CA 3.12Å; D648-G680 VanDerWaalsContact CB-N 3.31Å; D648-G680 PolarHBondContact OD2-N 3.22Å; D648-G686 PolarHBondContact OD1-N 2.85Å
649	S	60.9	Low	77.8	Confident	6 Å²	6	25 Å²	25	4%	0.042	14%	0.14	C	C	.	.			trans	-87.1	137	169.3	59.1	0	0	0	0	110.3	C679 Y688	S649-C679 PolarHBondContact O-SG 3.09Å; S649-C679 VanDerWaalsContact O-SG 3.4Å; S649-Y688 WeakPolarHBondContact CB-OH 3.45Å; S649-Y688 PolarHBondContact OG-OH 2.91Å
650	C	66.1	Low	77.9	Confident	19 Å²	19	25.4 Å²	25.4	13%	0.128	14%	0.141	C	C	.	.			trans	-130.9	178.5	-167.6	-73.3	0	0	0	0	115.1	I591 G652 D653 C679	I591-C650 HydrophobicContact CB-CB 4.48Å; C650-G652 PolarHBondContact O-N 3.47Å; C650-D653 PolarHBondContact N-OD2 2.82Å; C650-D653 WeakPolarHBondContact O-CB 3.49Å; C650-D653 PolarHBondContact O-N 2.77Å; C650-C679 WeakPolarHBondContact CA-SG 3.28Å; C650-C679 HydrophobicContact CB-CB 4.14Å; C650-C679 WeakPolarHBondContact CB-SG 2.95Å; C650-C679 WeakPolarHBondContact SG-CB 3.37Å; C650-C679 CovalentContact SG-SG 2.04Å; C650-C679 PolarHBondContact SG-SG 3.19Å
651	Q	56.6	Low	77.9	Confident	147 Å²	147	29.4 Å²	29.4	69%	0.687	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	128.7	176.2	-70.9	-173.9	-18.4	0	0	109.9	G590 I591	G590-Q651 CarbonylContact C-O 3.57Å; G590-Q651 WeakPolarHBondContact CA-O 3.2Å; I591-Q651 HydrophobicContact CD1-CB 3.74Å; I591-Q651 HydrophobicContact CG1-CB 4.24Å; I591-Q651 WeakPolarHBondContact CG1-O 3.47Å; I591-Q651 PolarHBondContact N-O 3.28Å
652	G	58.1	Low	78	Confident	13 Å²	13	30.6 Å²	30.6	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-5.6	-174.3	0	0	0	0	0	115.2	F589 G590 C650	F589-G652 CarbonylContact C-O 3.54Å; G590-G652 VanDerWaalsContact CA-C 3.45Å; G590-G652 PolarHBondContact N-O 3.4Å; C650-G652 PolarHBondContact O-N 3.47Å
653	D	75.6	Confident	78.1	Confident	16 Å²	16	39.4 Å²	39.4	9%	0.086	21%	0.208	C	C	.	.			trans	-93.7	-10.7	164.8	-57.9	-40.7	0	0	0	112.3	G588 F589 G590 C650 G655 S656 V673	G588-D653 WeakPolarHBondContact CA-OD1 3.3Å; F589-D653 PolarHBondContact N-OD1 3.49Å; G590-D653 VanDerWaalsContact CA-OD1 3.22Å; G590-D653 WeakPolarHBondContact CA-OD1 3.38Å; G590-D653 PolarHBondContact N-OD1 3.27Å; C650-D653 PolarHBondContact N-OD2 2.82Å; C650-D653 WeakPolarHBondContact O-CB 3.49Å; C650-D653 PolarHBondContact O-N 2.77Å; D653-G655 PolarHBondContact O-N 2.59Å; D653-S656 WeakPolarHBondContact O-CB 3.12Å; D653-S656 PolarHBondContact O-N 2.84Å; D653-S656 PolarHBondContact O-OG 2.96Å; D653-V673 HydrophobicContact CB-CG1 4.18Å; D653-V673 HydrophobicContact CB-CG2 4.47Å; D653-V673 WeakPolarHBondContact O-CB 3.42Å
654	S	85.6	Confident	78.5	Confident	25 Å²	25	42 Å²	42	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	126.4	-179.8	-76.3	0	0	0	0	113.2	G481 G482 H496 V497 S656	G481-S654 WeakPolarHBondContact CA-O 3.35Å; G482-S654 PolarHBondContact N-O 3.06Å; H496-S654 WeakPolarHBondContact NE2-CB 3.49Å; H496-S654 PolarHBondContact NE2-OG 3.08Å; V497-S654 WeakPolarHBondContact CG2-O 3.2Å; S654-S656 VanDerWaalsContact C-N 3.28Å; S654-S656 PolarHBondContact O-N 2.89Å
655	G	89.9	Confident	79.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-11.9	-177.6	0	0	0	0	0	115.3	G482 G483 T493 D653 V673	G482-G655 VanDerWaalsContact C-C 3.48Å; G482-G655 CarbonylContact C-O 3.54Å; G482-G655 CarbonylContact O-C 3.51Å; G482-G655 WeakPolarHBondContact O-CA 3.12Å; G483-G655 WeakPolarHBondContact CA-O 3.11Å; T493-G655 WeakPolarHBondContact OG1-CA 3.42Å; D653-G655 PolarHBondContact O-N 2.59Å; G655-V673 PolarHBondContact N-O 3.34Å
656	S	92.2	Very high	80.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.			trans	-70.8	167.7	173.7	-50.2	0	0	0	0	112	Q471 G482 S587 D653 S654 V673	Q471-S656 PolarHBondContact NE2-OG 3.3Å; Q471-S656 VanDerWaalsContact NE2-OG 3.15Å; G482-S656 WeakPolarHBondContact CA-OG 3.17Å; S587-S656 WeakPolarHBondContact O-CB 3.34Å; S587-S656 PolarHBondContact O-OG 2.77Å; D653-S656 WeakPolarHBondContact O-CB 3.12Å; D653-S656 PolarHBondContact O-N 2.84Å; D653-S656 PolarHBondContact O-OG 2.96Å; S654-S656 VanDerWaalsContact C-N 3.28Å; S654-S656 PolarHBondContact O-N 2.89Å; S656-V673 WeakPolarHBondContact O-CG2 3.49Å; S656-V673 PolarHBondContact O-N 2.56Å
657	G	93.1	Very high	81.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.9	-177.6	0	0	0	0	0	115.4	M484	M484-G657 WeakPolarHBondContact SD-CA 3.38Å
658	F	94.4	Very high	82.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.3	149.9	-173.7	-75.7	0	0	0	107.5	V586 I610 V612 F638 A640 L660 A670 G671 Y688	V586-F658 HydrophobicContact CG2-CB 4.18Å; V586-F658 HydrophobicContact CG2-CD2 3.18Å; V586-F658 HydrophobicContact CG2-CE2 3.76Å; V586-F658 HydrophobicContact CG2-CG 3.95Å; I610-F658 HydrophobicContact CD1-CD2 4.43Å; I610-F658 HydrophobicContact CD1-CE2 3.95Å; I610-F658 HydrophobicContact CG1-CE2 3.81Å; V612-F658 HydrophobicContact CG2-CE1 3.94Å; V612-F658 HydrophobicContact CG2-CZ 3.82Å; F638-F658 AromaticContact CE2-CD1 3.95Å; F638-F658 HydrophobicContact CE2-CD1 3.95Å; F638-F658 HydrophobicContact CE2-CD2 4.37Å; F638-F658 AromaticContact CE2-CE1 3.94Å; F638-F658 HydrophobicContact CE2-CE1 3.94Å; F638-F658 HydrophobicContact CE2-CE2 4.4Å; F638-F658 HydrophobicContact CE2-CG 4.19Å; F638-F658 HydrophobicContact CE2-CZ 4.19Å; F638-F658 HydrophobicContact CZ-CB 4.31Å; F638-F658 AromaticContact CZ-CD1 3.73Å; F638-F658 HydrophobicContact CZ-CD1 3.73Å; F638-F658 HydrophobicContact CZ-CE1 4.17Å; F638-F658 AromaticContact CZ-CG 3.95Å; F638-F658 HydrophobicContact CZ-CG 3.95Å; A640-F658 HydrophobicContact CB-CD2 4.14Å; A640-F658 HydrophobicContact CB-CE2 3.3Å; A640-F658 HydrophobicContact CB-CZ 3.84Å; F658-L660 HydrophobicContact CD1-CG 4.5Å; F658-L660 HydrophobicContact CE1-CD2 3.96Å; F658-L660 HydrophobicContact CE1-CG 3.99Å; F658-A670 HydrophobicContact CD1-CB 4.02Å; F658-A670 PolarHBondContact O-N 3.03Å; F658-G671 PolarHBondContact N-O 3.06Å; F658-G671 PolarHBondContact O-N 3.41Å; F658-Y688 HydrophobicContact CB-CD1 3.64Å; F658-Y688 HydrophobicContact CB-CE1 3.9Å; F658-Y688 HydrophobicContact CB-CG 4.26Å; F658-Y688 HydrophobicContact CD2-CD1 4.03Å; F658-Y688 HydrophobicContact CD2-CD2 4.27Å; F658-Y688 AromaticContact CD2-CE1 3.71Å; F658-Y688 HydrophobicContact CD2-CE1 3.71Å; F658-Y688 AromaticContact CD2-CE2 3.99Å; F658-Y688 HydrophobicContact CD2-CE2 3.99Å; F658-Y688 HydrophobicContact CD2-CG 4.31Å; F658-Y688 AromaticContact CD2-CZ 3.71Å; F658-Y688 HydrophobicContact CE2-CE2 4.4Å; F658-Y688 HydrophobicContact CG-CD1 4.2Å; F658-Y688 HydrophobicContact CG-CE1 4.26Å
659	T	95	Very high	84.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.9	-174.3	64.9	0	0	0	0	111	W470 L569 G584 L585 W668	W470-T659 HydrophobicContact CZ2-CG2 4.15Å; L569-T659 HydrophobicContact CD1-CG2 4.13Å; L569-T659 HydrophobicContact CD2-CG2 3.53Å; G584-T659 CarbonylContact C-O 3.59Å; G584-T659 WeakPolarHBondContact CA-O 3.47Å; L585-T659 WeakPolarHBondContact CB-OG1 3.15Å; L585-T659 PolarHBondContact N-O 2.94Å; L585-T659 PolarHBondContact O-N 3.11Å; L585-T659 PolarHBondContact O-OG1 2.95Å; T659-W668 VanDerWaalsContact CA-O 3.31Å; T659-W668 WeakPolarHBondContact CA-O 3.38Å
660	L	93.8	Very high	86.3	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	155.5	169.4	-73.5	174.3	0	0	0	108.7	M582 F658 F667 W668 A670	M582-L660 HydrophobicContact CB-CD2 4.08Å; M582-L660 HydrophobicContact SD-CD1 4.39Å; F658-L660 HydrophobicContact CD1-CG 4.5Å; F658-L660 HydrophobicContact CE1-CD2 3.96Å; F658-L660 HydrophobicContact CE1-CG 3.99Å; L660-F667 WeakPolarHBondContact O-CA 3.18Å; L660-W668 HydrophobicContact CB-CD2 4.28Å; L660-W668 HydrophobicContact CB-CH2 4.25Å; L660-W668 HydrophobicContact CB-CZ2 3.52Å; L660-W668 HydrophobicContact CD1-CH2 3.64Å; L660-W668 HydrophobicContact CD1-CZ2 3.51Å; L660-W668 HydrophobicContact CG-CH2 4.47Å; L660-W668 HydrophobicContact CG-CZ2 4.11Å; L660-W668 PolarHBondContact N-O 2.85Å; L660-W668 PolarHBondContact O-N 3.07Å; L660-A670 HydrophobicContact CB-CB 4.08Å; L660-A670 HydrophobicContact CD1-CB 3.68Å; L660-A670 HydrophobicContact CG-CB 3.71Å
661	Q	90.4	Very high	87.7	Confident	85 Å²	85	34.3 Å²	34.3	40%	0.397	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	-179.5	-165.9	178.7	29	0	0	109.2	G665 R666 F667	Q661-G665 PolarHBondContact NE2-O 3.41Å; Q661-R666 WeakPolarHBondContact CA-O 3.2Å; Q661-F667 HydrophobicContact CB-CD1 4.13Å; Q661-F667 HydrophobicContact CB-CE1 3.97Å; Q661-F667 HydrophobicContact CB-CZ 4.29Å; Q661-F667 HydrophobicContact CG-CD1 4.39Å; Q661-F667 HydrophobicContact CG-CD2 4.28Å; Q661-F667 HydrophobicContact CG-CE1 4.18Å; Q661-F667 HydrophobicContact CG-CE2 4.08Å; Q661-F667 HydrophobicContact CG-CG 4.43Å; Q661-F667 HydrophobicContact CG-CZ 4.03Å
662	S	88.6	Confident	89.6	Confident	25 Å²	25	27.3 Å²	27.3	18%	0.175	14%	0.143	C	C	.	.			trans	-69.8	162.5	170.4	-60.5	0	0	0	0	110.7	D664 G665 R666	S662-D664 WeakPolarHBondContact CB-OD1 3.44Å; S662-D664 PolarHBondContact O-N 3.16Å; S662-D664 VanDerWaalsContact O-N 3.16Å; S662-G665 PolarHBondContact O-N 2.79Å; S662-R666 PolarHBondContact N-O 3.05Å; S662-R666 PolarHBondContact OG-NH2 3.27Å
663	E	84.8	Confident	91.3	Very high	212 Å²	212	27 Å²	27	99%	0.991	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.5	179.8	-64.3	-173.7	167.3	0	0	113.4	G665	E663-G665 PolarHBondContact O-N 3.47Å
664	D	85.4	Confident	92.1	Very high	89 Å²	89	26.4 Å²	26.4	48%	0.476	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.9	176.4	80	-36.6	0	0	0	113.6	R445 S662 R666	R445-D664 IonicContact CZ-OD2 3.9Å; R445-D664 IonicContact NH2-OD2 2.81Å; R445-D664 PolarHBondContact NH2-OD2 3.38Å; S662-D664 WeakPolarHBondContact CB-OD1 3.44Å; S662-D664 PolarHBondContact O-N 3.16Å; S662-D664 VanDerWaalsContact O-N 3.16Å; D664-R666 VanDerWaalsContact OD1-CB 3.24Å; D664-R666 WeakPolarHBondContact OD1-CB 3.13Å; D664-R666 PolarHBondContact OD1-N 3.09Å; D664-R666 VanDerWaalsContact OD1-N 3.16Å
665	G	87.3	Confident	92.1	Very high	21 Å²	21	26.3 Å²	26.3	22%	0.216	13%	0.131	C	C	.	.	S	Bend	trans	85.6	2.5	178.5	0	0	0	0	0	115	Q661 S662 E663	Q661-G665 PolarHBondContact NE2-O 3.41Å; S662-G665 PolarHBondContact O-N 2.79Å; E663-G665 PolarHBondContact O-N 3.47Å
666	R	92.3	Very high	91.8	Very high	55 Å²	55	28.1 Å²	28.1	21%	0.208	15%	0.15	C	C	.	.			trans	-75.8	126.2	178.1	-176.3	-177	65	101.7	6.2	111.2	C570 D576 Q661 S662 D664	C570-R666 VanDerWaalsContact SG-CD 3.58Å; C570-R666 VanDerWaalsContact SG-CG 3.59Å; D576-R666 IonicContact OD1-NH2 3.88Å; D576-R666 IonicContact OD2-NH2 3.78Å; Q661-R666 WeakPolarHBondContact CA-O 3.2Å; S662-R666 PolarHBondContact N-O 3.05Å; S662-R666 PolarHBondContact OG-NH2 3.27Å; D664-R666 VanDerWaalsContact OD1-CB 3.24Å; D664-R666 WeakPolarHBondContact OD1-CB 3.13Å; D664-R666 PolarHBondContact OD1-N 3.09Å; D664-R666 VanDerWaalsContact OD1-N 3.16Å
667	F	94.4	Very high	91	Very high	18 Å²	18	30 Å²	30	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.7	172.3	-69.9	-94.8	0	0	0	111.5	G444 P446 W470 L569 C570 L585 L660 Q661	G444-F667 WeakPolarHBondContact CA-O 3.47Å; G444-F667 PolarHBondContact O-N 3.47Å; P446-F667 HydrophobicContact CG-CD2 4.11Å; P446-F667 HydrophobicContact CG-CE2 4.03Å; W470-F667 HydrophobicContact CH2-CB 3.57Å; W470-F667 AromaticContact CH2-CD1 3.93Å; W470-F667 HydrophobicContact CH2-CD1 3.93Å; W470-F667 AromaticContact CH2-CD2 3.78Å; W470-F667 HydrophobicContact CH2-CD2 3.78Å; W470-F667 HydrophobicContact CH2-CE2 4.44Å; W470-F667 AromaticContact CH2-CG 3.48Å; W470-F667 HydrophobicContact CH2-CG 3.48Å; W470-F667 VanDerWaalsContact CH2-CG 3.48Å; W470-F667 HydrophobicContact CZ2-CB 4.17Å; W470-F667 HydrophobicContact CZ2-CD1 4.2Å; W470-F667 HydrophobicContact CZ2-CG 4.15Å; W470-F667 HydrophobicContact CZ3-CB 4Å; W470-F667 HydrophobicContact CZ3-CD2 4.37Å; W470-F667 HydrophobicContact CZ3-CG 4.25Å; L569-F667 HydrophobicContact CD1-CB 3.67Å; L569-F667 WeakPolarHBondContact CD1-O 3.34Å; C570-F667 WeakPolarHBondContact CB-O 3.42Å; L585-F667 HydrophobicContact CD2-CE1 4.24Å; L660-F667 WeakPolarHBondContact O-CA 3.18Å; Q661-F667 HydrophobicContact CB-CD1 4.13Å; Q661-F667 HydrophobicContact CB-CE1 3.97Å; Q661-F667 HydrophobicContact CB-CZ 4.29Å; Q661-F667 HydrophobicContact CG-CD1 4.39Å; Q661-F667 HydrophobicContact CG-CD2 4.28Å; Q661-F667 HydrophobicContact CG-CE1 4.18Å; Q661-F667 HydrophobicContact CG-CE2 4.08Å; Q661-F667 HydrophobicContact CG-CG 4.43Å; Q661-F667 HydrophobicContact CG-CZ 4.03Å
668	W	96	Very high	89.9	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	175.8	57.2	-88.1	0	0	0	111.9	C570 P572 D576 Y578 T659 L660 A670	C570-W668 HydrophobicContact CB-CB 4.04Å; C570-W668 CarbonylContact O-C 3.49Å; C570-W668 VanDerWaalsContact O-CA 3.24Å; C570-W668 WeakPolarHBondContact O-CA 3.15Å; C570-W668 WeakPolarHBondContact O-CB 3.43Å; P572-W668 HydrophobicContact CB-CE3 3.62Å; P572-W668 HydrophobicContact CB-CZ3 3.7Å; P572-W668 HydrophobicContact CG-CE3 4.31Å; P572-W668 HydrophobicContact CG-CZ3 4.43Å; D576-W668 HydrophobicContact CB-CD2 4.43Å; D576-W668 HydrophobicContact CB-CE3 4.45Å; D576-W668 HydrophobicContact CB-CH2 3.75Å; D576-W668 HydrophobicContact CB-CZ2 3.72Å; D576-W668 HydrophobicContact CB-CZ3 4.1Å; Y578-W668 HydrophobicContact CD2-CH2 4.47Å; Y578-W668 HydrophobicContact CE1-CH2 4.31Å; Y578-W668 HydrophobicContact CE1-CZ3 4.36Å; Y578-W668 AromaticContact CE2-CH2 3.98Å; Y578-W668 HydrophobicContact CE2-CH2 3.98Å; Y578-W668 HydrophobicContact CE2-CZ3 4.13Å; Y578-W668 AromaticContact CZ-CH2 3.91Å; Y578-W668 AromaticContact CZ-CZ3 3.77Å; T659-W668 VanDerWaalsContact CA-O 3.31Å; T659-W668 WeakPolarHBondContact CA-O 3.38Å; L660-W668 HydrophobicContact CB-CD2 4.28Å; L660-W668 HydrophobicContact CB-CH2 4.25Å; L660-W668 HydrophobicContact CB-CZ2 3.52Å; L660-W668 HydrophobicContact CD1-CH2 3.64Å; L660-W668 HydrophobicContact CD1-CZ2 3.51Å; L660-W668 HydrophobicContact CG-CH2 4.47Å; L660-W668 HydrophobicContact CG-CZ2 4.11Å; L660-W668 PolarHBondContact N-O 2.85Å; L660-W668 PolarHBondContact O-N 3.07Å; W668-A670 HydrophobicContact CD2-CB 4.42Å; W668-A670 HydrophobicContact CE3-CB 3.72Å; W668-A670 HydrophobicContact CH2-CB 3.63Å; W668-A670 HydrophobicContact CZ2-CB 4.32Å; W668-A670 HydrophobicContact CZ3-CB 3.31Å; W668-A670 PolarHBondContact O-N 2.88Å
669	A	96.5	Very high	88.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	86.7	-177.5	0	0	0	0	0	110.2	M484 L492 L569 C570 P572 V691	M484-A669 HydrophobicContact CE-CB 4.48Å; M484-A669 HydrophobicContact SD-CB 4Å; L492-A669 HydrophobicContact CD2-CB 4.36Å; L569-A669 HydrophobicContact CD2-CB 3.59Å; L569-A669 HydrophobicContact CG-CB 4.11Å; C570-A669 PolarHBondContact O-N 2.81Å; P572-A669 WeakPolarHBondContact CD-O 3.5Å; A669-V691 HydrophobicContact CB-CG1 4.48Å; A669-V691 WeakPolarHBondContact O-CB 3.41Å; A669-V691 WeakPolarHBondContact O-CG1 3.31Å; A669-V691 WeakPolarHBondContact O-CG2 3.42Å
670	A	96	Very high	87.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-40.6	-179.8	0	0	0	0	0	112.4	Y578 F658 L660 W668 V691	Y578-A670 HydrophobicContact CE1-CB 3.9Å; Y578-A670 VanDerWaalsContact CE1-O 3.23Å; Y578-A670 WeakPolarHBondContact CE1-O 3.39Å; Y578-A670 PolarHBondContact OH-O 3.01Å; F658-A670 HydrophobicContact CD1-CB 4.02Å; F658-A670 PolarHBondContact O-N 3.03Å; L660-A670 HydrophobicContact CB-CB 4.08Å; L660-A670 HydrophobicContact CD1-CB 3.68Å; L660-A670 HydrophobicContact CG-CB 3.71Å; W668-A670 HydrophobicContact CD2-CB 4.42Å; W668-A670 HydrophobicContact CE3-CB 3.72Å; W668-A670 HydrophobicContact CH2-CB 3.63Å; W668-A670 HydrophobicContact CZ2-CB 4.32Å; W668-A670 HydrophobicContact CZ3-CB 3.31Å; W668-A670 PolarHBondContact O-N 2.88Å; A670-V691 PolarHBondContact O-N 3.08Å
671	G	95.3	Very high	86.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.4	-179.9	0	0	0	0	0	114.2	F658 T689	F658-G671 PolarHBondContact N-O 3.06Å; F658-G671 PolarHBondContact O-N 3.41Å; G671-T689 WeakPolarHBondContact CA-O 3.49Å
672	I	96.6	Very high	85.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.4	170.7	-56.6	165.2	0	0	0	107.6	M484 L492 A494 I551 S674 Y688 T689 V691	M484-I672 HydrophobicContact CE-CG1 3.89Å; L492-I672 HydrophobicContact CD1-CD1 3.86Å; L492-I672 HydrophobicContact CD2-CD1 4.1Å; L492-I672 HydrophobicContact CD2-CG1 4.32Å; L492-I672 HydrophobicContact CG-CD1 3.79Å; L492-I672 HydrophobicContact CG-CG1 4.27Å; A494-I672 HydrophobicContact CB-CG2 3.83Å; I551-I672 HydrophobicContact CB-CD1 4.04Å; I551-I672 HydrophobicContact CD1-CD1 3.85Å; I551-I672 HydrophobicContact CG1-CD1 3.57Å; I672-S674 PolarHBondContact O-N 2.81Å; I672-S674 VanDerWaalsContact O-N 3.07Å; I672-Y688 CarbonylContact O-C 3.48Å; I672-Y688 WeakPolarHBondContact O-CA 3.48Å; I672-T689 PolarHBondContact N-O 2.89Å; I672-T689 VanDerWaalsContact N-O 3.1Å; I672-T689 PolarHBondContact O-N 2.81Å; I672-V691 HydrophobicContact CD1-CG2 4.08Å; I672-V691 HydrophobicContact CG1-CG2 3.75Å
673	V	94.3	Very high	85.3	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	113.3	176.7	179.7	0	0	0	0	109.1	V586 D653 G655 S656 Y688	V586-V673 HydrophobicContact CG1-CG2 3.96Å; D653-V673 HydrophobicContact CB-CG1 4.18Å; D653-V673 HydrophobicContact CB-CG2 4.47Å; D653-V673 WeakPolarHBondContact O-CB 3.42Å; G655-V673 PolarHBondContact N-O 3.34Å; S656-V673 WeakPolarHBondContact O-CG2 3.49Å; S656-V673 PolarHBondContact O-N 2.56Å; V673-Y688 HydrophobicContact CB-CD1 4.44Å; V673-Y688 HydrophobicContact CB-CE1 4.32Å; V673-Y688 HydrophobicContact CG2-CD1 4.11Å; V673-Y688 HydrophobicContact CG2-CE1 3.7Å
674	S	91.5	Very high	85.2	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-65.6	-173.8	-179.3	0	0	0	0	111.7	H496 D550 I672 F687	H496-S674 PolarHBondContact CE1-O 3.41Å; D550-S674 WeakPolarHBondContact OD2-CB 3.35Å; D550-S674 PolarHBondContact OD2-OG 3.4Å; I672-S674 PolarHBondContact O-N 2.81Å; I672-S674 VanDerWaalsContact O-N 3.07Å; S674-F687 PolarHBondContact N-O 2.86Å; S674-F687 VanDerWaalsContact N-O 3.12Å
675	W	87.5	Confident	85.3	Confident	23 Å²	23	32.7 Å²	32.7	9%	0.087	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.3	-178.3	62.5	-84.4	0	0	0	112.6	Y547 L622 P631 V633 M637 I677 F687	Y547-W675 HydrophobicContact CD1-CB 4.24Å; Y547-W675 HydrophobicContact CD1-CG 4.44Å; Y547-W675 HydrophobicContact CD2-CB 4.07Å; Y547-W675 AromaticContact CD2-CD1 3.61Å; Y547-W675 HydrophobicContact CD2-CD2 4.35Å; Y547-W675 AromaticContact CD2-CG 3.75Å; Y547-W675 HydrophobicContact CD2-CG 3.75Å; Y547-W675 HydrophobicContact CE1-CB 4.23Å; Y547-W675 HydrophobicContact CE2-CB 4.06Å; Y547-W675 HydrophobicContact CE2-CG 4.17Å; Y547-W675 HydrophobicContact CG-CB 4.17Å; Y547-W675 AromaticContact CG-CD1 3.42Å; Y547-W675 VanDerWaalsContact CG-CD1 3.42Å; Y547-W675 AromaticContact CG-CG 3.92Å; Y547-W675 HydrophobicContact CG-CG 3.92Å; L622-W675 HydrophobicContact CD1-CH2 3.84Å; L622-W675 HydrophobicContact CD2-CH2 4.47Å; L622-W675 HydrophobicContact CD2-CZ3 4.41Å; P631-W675 HydrophobicContact CB-CD2 4.49Å; P631-W675 HydrophobicContact CB-CE3 4.14Å; P631-W675 HydrophobicContact CB-CH2 3.55Å; P631-W675 HydrophobicContact CB-CZ2 3.92Å; P631-W675 HydrophobicContact CB-CZ3 3.68Å; P631-W675 HydrophobicContact CG-CE3 4.09Å; P631-W675 HydrophobicContact CG-CH2 4.01Å; P631-W675 HydrophobicContact CG-CZ3 3.64Å; V633-W675 HydrophobicContact CG2-CH2 4.07Å; V633-W675 HydrophobicContact CG2-CZ2 4Å; M637-W675 HydrophobicContact SD-CZ2 4.3Å; M637-W675 PolarHBondContact SD-NE1 3.1Å; W675-I677 HydrophobicContact CE3-CG1 4.31Å; W675-I677 HydrophobicContact CZ3-CD1 4.05Å; W675-I677 HydrophobicContact CZ3-CG1 4.05Å; W675-F687 HydrophobicContact CD2-CB 3.89Å; W675-F687 HydrophobicContact CD2-CD2 4.2Å; W675-F687 HydrophobicContact CD2-CG 4.17Å; W675-F687 AromaticContact CE2-CG 3.67Å; W675-F687 HydrophobicContact CE3-CB 4.49Å; W675-F687 AromaticContact CE3-CD2 3.96Å; W675-F687 HydrophobicContact CE3-CD2 3.96Å; W675-F687 HydrophobicContact CE3-CG 4.39Å; W675-F687 HydrophobicContact CG-CB 4.22Å; W675-F687 HydrophobicContact CH2-CB 4.45Å; W675-F687 HydrophobicContact CH2-CD1 4.03Å; W675-F687 AromaticContact CH2-CD2 3.45Å; W675-F687 HydrophobicContact CH2-CD2 3.45Å; W675-F687 VanDerWaalsContact CH2-CD2 3.45Å; W675-F687 HydrophobicContact CH2-CE1 4.11Å; W675-F687 AromaticContact CH2-CE2 3.54Å; W675-F687 HydrophobicContact CH2-CE2 3.54Å; W675-F687 AromaticContact CH2-CG 3.71Å; W675-F687 HydrophobicContact CH2-CG 3.71Å; W675-F687 AromaticContact CH2-CZ 3.88Å; W675-F687 HydrophobicContact CH2-CZ 3.88Å; W675-F687 HydrophobicContact CZ2-CB 3.87Å; W675-F687 AromaticContact CZ2-CD1 3.65Å; W675-F687 HydrophobicContact CZ2-CD1 3.65Å; W675-F687 AromaticContact CZ2-CD2 3.72Å; W675-F687 HydrophobicContact CZ2-CD2 3.72Å; W675-F687 HydrophobicContact CZ2-CE1 4.09Å; W675-F687 HydrophobicContact CZ2-CE2 4.16Å; W675-F687 AromaticContact CZ2-CG 3.45Å; W675-F687 HydrophobicContact CZ2-CG 3.45Å; W675-F687 VanDerWaalsContact CZ2-CG 3.45Å; W675-F687 HydrophobicContact CZ2-CZ 4.33Å; W675-F687 AromaticContact CZ3-CD2 3.57Å; W675-F687 HydrophobicContact CZ3-CD2 3.57Å; W675-F687 AromaticContact CZ3-CE2 3.8Å; W675-F687 HydrophobicContact CZ3-CE2 3.8Å; W675-F687 HydrophobicContact CZ3-CG 4.17Å; W675-F687 PolarHBondContact N-O 3.13Å; W675-F687 PolarHBondContact O-N 2.83Å
676	G	83	Confident	85.4	Confident	38 Å²	38	31.7 Å²	31.7	39%	0.392	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	159.3	177.6	0	0	0	0	0	111.5
677	I	75.4	Confident	85.4	Confident	40 Å²	40	29.2 Å²	29.2	21%	0.205	17%	0.166	C	C	.	.	S	Bend	trans	-120.1	124	-179.4	-57.9	178.6	0	0	0	109	L622 I625 P631 W675 C679 T684	L622-I677 HydrophobicContact CD2-CD1 3.67Å; I625-I677 HydrophobicContact CD1-CD1 3.22Å; I625-I677 HydrophobicContact CD1-CG2 4.24Å; P631-I677 HydrophobicContact CG-CD1 3.89Å; W675-I677 HydrophobicContact CE3-CG1 4.31Å; W675-I677 HydrophobicContact CZ3-CD1 4.05Å; W675-I677 HydrophobicContact CZ3-CG1 4.05Å; I677-C679 PolarHBondContact O-N 2.8Å; I677-C679 VanDerWaalsContact O-N 3.14Å; I677-T684 WeakPolarHBondContact O-CB 3.41Å; I677-T684 WeakPolarHBondContact O-CG2 3.38Å
678	N	70.1	Confident	85.4	Confident	91 Å²	91	28.4 Å²	28.4	49%	0.487	16%	0.162	S	C	.	.	S	Bend	trans	51.4	36	176.4	-64.8	-28.9	0	0	0	114.9	G680 Q681	N678-G680 PolarHBondContact O-N 2.87Å; N678-Q681 HydrophobicContact CB-CB 4.43Å; N678-Q681 HydrophobicContact CB-CG 4.19Å; N678-Q681 VanDerWaalsContact O-CB 3.25Å; N678-Q681 WeakPolarHBondContact O-CB 3.34Å; N678-Q681 WeakPolarHBondContact O-CG 3.4Å; N678-Q681 PolarHBondContact O-N 3.14Å; N678-Q681 VanDerWaalsContact O-N 3.12Å
679	C	69.6	Low	85.4	Confident	21 Å²	21	28.1 Å²	28.1	14%	0.142	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	11.1	107.1	155.9	-103	0	0	0	0	117.6	R599 D648 S649 C650 I677 Q681	R599-C679 PolarHBondContact NH2-O 2.67Å; R599-C679 VanDerWaalsContact NH2-O 3.11Å; D648-C679 WeakPolarHBondContact OD2-CA 3.12Å; S649-C679 PolarHBondContact O-SG 3.09Å; S649-C679 VanDerWaalsContact O-SG 3.4Å; C650-C679 WeakPolarHBondContact CA-SG 3.28Å; C650-C679 HydrophobicContact CB-CB 4.14Å; C650-C679 WeakPolarHBondContact CB-SG 2.95Å; C650-C679 WeakPolarHBondContact SG-CB 3.37Å; C650-C679 CovalentContact SG-SG 2.04Å; C650-C679 PolarHBondContact SG-SG 3.19Å; I677-C679 PolarHBondContact O-N 2.8Å; I677-C679 VanDerWaalsContact O-N 3.14Å; C679-Q681 PolarHBondContact O-N 3.26Å
680	G	66.3	Low	85.4	Confident	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	8	174.3	0	0	0	0	0	114.7	G646 D648 N678	G646-G680 PolarHBondContact N-O 3.03Å; D648-G680 VanDerWaalsContact CB-N 3.31Å; D648-G680 PolarHBondContact OD2-N 3.22Å; N678-G680 PolarHBondContact O-N 2.87Å
681	Q	74.5	Confident	85.4	Confident	94 Å²	94	30.8 Å²	30.8	44%	0.439	17%	0.173	S	C	.	.			trans	-76.1	156.9	169.7	-76.5	-175.3	1.9	0	0	111.9	G645 N678 C679 G683 T684	G645-Q681 WeakPolarHBondContact CA-O 3.5Å; N678-Q681 HydrophobicContact CB-CB 4.43Å; N678-Q681 HydrophobicContact CB-CG 4.19Å; N678-Q681 VanDerWaalsContact O-CB 3.25Å; N678-Q681 WeakPolarHBondContact O-CB 3.34Å; N678-Q681 WeakPolarHBondContact O-CG 3.4Å; N678-Q681 PolarHBondContact O-N 3.14Å; N678-Q681 VanDerWaalsContact O-N 3.12Å; C679-Q681 PolarHBondContact O-N 3.26Å; Q681-G683 PolarHBondContact O-N 2.8Å; Q681-T684 HydrophobicContact CB-CG2 4.28Å; Q681-T684 PolarHBondContact N-OG1 3.32Å; Q681-T684 PolarHBondContact O-N 3.24Å; Q681-T684 PolarHBondContact O-OG1 3.3Å
682	K	78.9	Confident	85.4	Confident	173 Å²	173	32.5 Å²	32.5	75%	0.752	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	128.8	177.3	-173.7	176.1	-180	177.1	0	110	P643 T684	P643-K682 WeakPolarHBondContact O-CG 3.35Å; K682-T684 VanDerWaalsContact C-N 3.35Å
683	G	76.6	Confident	85.4	Confident	31 Å²	31	36 Å²	36	32%	0.32	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	8.6	177.7	0	0	0	0	0	115.8	S621 P643 Q681	S621-G683 VanDerWaalsContact CB-O 3.3Å; S621-G683 WeakPolarHBondContact CB-O 3.24Å; P643-G683 PolarHBondContact O-N 3.45Å; P643-G683 VanDerWaalsContact O-N 3.14Å; Q681-G683 PolarHBondContact O-N 2.8Å
684	T	81.8	Confident	85.5	Confident	28 Å²	28	36 Å²	36	17%	0.172	21%	0.205	C	C	.	.			trans	-104.7	152.1	170.9	58.2	0	0	0	0	110.6	I677 Q681 K682	I677-T684 WeakPolarHBondContact O-CB 3.41Å; I677-T684 WeakPolarHBondContact O-CG2 3.38Å; Q681-T684 HydrophobicContact CB-CG2 4.28Å; Q681-T684 PolarHBondContact N-OG1 3.32Å; Q681-T684 PolarHBondContact O-N 3.24Å; Q681-T684 PolarHBondContact O-OG1 3.3Å; K682-T684 VanDerWaalsContact C-N 3.35Å
685	Y	87.4	Confident	85.7	Confident	12 Å²	12	37 Å²	37	5%	0.047	21%	0.211	C	C	.	.			trans	-131.6	153.4	-179.9	-50.6	-71.2	0	0	0	110.1	V613 R617 C618	V613-Y685 HydrophobicContact CG1-CE1 4.2Å; V613-Y685 HydrophobicContact CG1-CE2 4.42Å; V613-Y685 HydrophobicContact CG2-CD1 3.94Å; V613-Y685 HydrophobicContact CG2-CE1 3.94Å; R617-Y685 HydrophobicContact CG-CE2 4.35Å; R617-Y685 PolarHBondContact NE-OH 3.03Å; C618-Y685 HydrophobicContact CB-CD2 4.31Å; C618-Y685 VanDerWaalsContact SG-CD2 3.53Å
686	G	89.2	Confident	86.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	144.6	166.2	0	0	0	0	0	110.7	C639 A640 D648 Y688	C639-G686 CarbonylContact C-O 3.57Å; C639-G686 WeakPolarHBondContact CA-O 3.12Å; C639-G686 WeakPolarHBondContact CB-O 3.47Å; A640-G686 PolarHBondContact N-O 3.47Å; A640-G686 PolarHBondContact O-N 2.87Å; A640-G686 VanDerWaalsContact O-N 3.07Å; D648-G686 PolarHBondContact OD1-N 2.85Å; G686-Y688 VanDerWaalsContact O-CE2 3.32Å; G686-Y688 WeakPolarHBondContact O-CE2 3.33Å
687	F	92	Very high	86.8	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.7	176.9	-73.6	-98.2	0	0	0	110.5	C618 L622 V633 C639 S674 W675	C618-F687 HydrophobicContact CB-CE1 4.04Å; C618-F687 HydrophobicContact CB-CZ 3.92Å; L622-F687 HydrophobicContact CD1-CE1 4.49Å; L622-F687 HydrophobicContact CD1-CE2 4.24Å; L622-F687 HydrophobicContact CD1-CZ 3.75Å; L622-F687 HydrophobicContact CD2-CE2 4.36Å; L622-F687 HydrophobicContact CG-CZ 4.28Å; V633-F687 HydrophobicContact CB-CE1 4.42Å; V633-F687 HydrophobicContact CG1-CD1 4.39Å; V633-F687 HydrophobicContact CG1-CE1 3.88Å; V633-F687 HydrophobicContact CG2-CD1 4.29Å; V633-F687 HydrophobicContact CG2-CE1 3.59Å; V633-F687 HydrophobicContact CG2-CZ 4.04Å; C639-F687 HydrophobicContact CB-CD1 4.14Å; C639-F687 HydrophobicContact CB-CE1 4.08Å; C639-F687 HydrophobicContact CB-CZ 4.4Å; S674-F687 PolarHBondContact N-O 2.86Å; S674-F687 VanDerWaalsContact N-O 3.12Å; W675-F687 HydrophobicContact CD2-CB 3.89Å; W675-F687 HydrophobicContact CD2-CD2 4.2Å; W675-F687 HydrophobicContact CD2-CG 4.17Å; W675-F687 AromaticContact CE2-CG 3.67Å; W675-F687 HydrophobicContact CE3-CB 4.49Å; W675-F687 AromaticContact CE3-CD2 3.96Å; W675-F687 HydrophobicContact CE3-CD2 3.96Å; W675-F687 HydrophobicContact CE3-CG 4.39Å; W675-F687 HydrophobicContact CG-CB 4.22Å; W675-F687 HydrophobicContact CH2-CB 4.45Å; W675-F687 HydrophobicContact CH2-CD1 4.03Å; W675-F687 AromaticContact CH2-CD2 3.45Å; W675-F687 HydrophobicContact CH2-CD2 3.45Å; W675-F687 VanDerWaalsContact CH2-CD2 3.45Å; W675-F687 HydrophobicContact CH2-CE1 4.11Å; W675-F687 AromaticContact CH2-CE2 3.54Å; W675-F687 HydrophobicContact CH2-CE2 3.54Å; W675-F687 AromaticContact CH2-CG 3.71Å; W675-F687 HydrophobicContact CH2-CG 3.71Å; W675-F687 AromaticContact CH2-CZ 3.88Å; W675-F687 HydrophobicContact CH2-CZ 3.88Å; W675-F687 HydrophobicContact CZ2-CB 3.87Å; W675-F687 AromaticContact CZ2-CD1 3.65Å; W675-F687 HydrophobicContact CZ2-CD1 3.65Å; W675-F687 AromaticContact CZ2-CD2 3.72Å; W675-F687 HydrophobicContact CZ2-CD2 3.72Å; W675-F687 HydrophobicContact CZ2-CE1 4.09Å; W675-F687 HydrophobicContact CZ2-CE2 4.16Å; W675-F687 AromaticContact CZ2-CG 3.45Å; W675-F687 HydrophobicContact CZ2-CG 3.45Å; W675-F687 VanDerWaalsContact CZ2-CG 3.45Å; W675-F687 HydrophobicContact CZ2-CZ 4.33Å; W675-F687 AromaticContact CZ3-CD2 3.57Å; W675-F687 HydrophobicContact CZ3-CD2 3.57Å; W675-F687 AromaticContact CZ3-CE2 3.8Å; W675-F687 HydrophobicContact CZ3-CE2 3.8Å; W675-F687 HydrophobicContact CZ3-CG 4.17Å; W675-F687 PolarHBondContact N-O 3.13Å; W675-F687 PolarHBondContact O-N 2.83Å
688	Y	94.8	Very high	87.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.5	-172	-55.9	-93.5	0	0	0	110.1	V586 I610 M637 F638 A640 S649 F658 I672 V673 G686 K690	V586-Y688 HydrophobicContact CG1-CE1 4.5Å; V586-Y688 HydrophobicContact CG2-CE1 4.19Å; I610-Y688 VanDerWaalsContact CD1-OH 3.3Å; I610-Y688 WeakPolarHBondContact CD1-OH 3.26Å; M637-Y688 VanDerWaalsContact CA-O 3.26Å; M637-Y688 WeakPolarHBondContact CA-O 3.33Å; F638-Y688 HydrophobicContact CD2-CD2 4.47Å; F638-Y688 HydrophobicContact CE2-CD2 4.07Å; F638-Y688 HydrophobicContact CE2-CG 4.26Å; F638-Y688 HydrophobicContact CZ-CD2 4.35Å; F638-Y688 HydrophobicContact CZ-CG 4.07Å; F638-Y688 PolarHBondContact N-O 3.05Å; F638-Y688 PolarHBondContact O-N 2.89Å; A640-Y688 HydrophobicContact CB-CD2 4.24Å; A640-Y688 HydrophobicContact CB-CE2 3.66Å; S649-Y688 WeakPolarHBondContact CB-OH 3.45Å; S649-Y688 PolarHBondContact OG-OH 2.91Å; F658-Y688 HydrophobicContact CB-CD1 3.64Å; F658-Y688 HydrophobicContact CB-CE1 3.9Å; F658-Y688 HydrophobicContact CB-CG 4.26Å; F658-Y688 HydrophobicContact CD2-CD1 4.03Å; F658-Y688 HydrophobicContact CD2-CD2 4.27Å; F658-Y688 AromaticContact CD2-CE1 3.71Å; F658-Y688 HydrophobicContact CD2-CE1 3.71Å; F658-Y688 AromaticContact CD2-CE2 3.99Å; F658-Y688 HydrophobicContact CD2-CE2 3.99Å; F658-Y688 HydrophobicContact CD2-CG 4.31Å; F658-Y688 AromaticContact CD2-CZ 3.71Å; F658-Y688 HydrophobicContact CE2-CE2 4.4Å; F658-Y688 HydrophobicContact CG-CD1 4.2Å; F658-Y688 HydrophobicContact CG-CE1 4.26Å; I672-Y688 CarbonylContact O-C 3.48Å; I672-Y688 WeakPolarHBondContact O-CA 3.48Å; V673-Y688 HydrophobicContact CB-CD1 4.44Å; V673-Y688 HydrophobicContact CB-CE1 4.32Å; V673-Y688 HydrophobicContact CG2-CD1 4.11Å; V673-Y688 HydrophobicContact CG2-CE1 3.7Å; G686-Y688 VanDerWaalsContact O-CE2 3.32Å; G686-Y688 WeakPolarHBondContact O-CE2 3.33Å; Y688-K690 PolarHBondContact O-N 2.79Å
689	T	96.4	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.8	169.7	-54.1	0	0	0	0	108.7	D550 I551 G671 I672 V691 Y694	D550-T689 PolarHBondContact O-OG1 2.87Å; I551-T689 HydrophobicContact CB-CG2 4.25Å; G671-T689 WeakPolarHBondContact CA-O 3.49Å; I672-T689 PolarHBondContact N-O 2.89Å; I672-T689 VanDerWaalsContact N-O 3.1Å; I672-T689 PolarHBondContact O-N 2.81Å; T689-V691 PolarHBondContact O-N 3.49Å; T689-Y694 HydrophobicContact CG2-CD2 4Å; T689-Y694 HydrophobicContact CG2-CE2 3.54Å
690	K	95.8	Very high	90.4	Very high	57 Å²	57	43.4 Å²	43.4	25%	0.248	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	98.8	-178	-170.1	178.8	179.9	-174.4	0	110.5	Y578 N636 F638 Y688 A692 N693 Y694	Y578-K690 HydrophobicContact CD1-CG 4.45Å; Y578-K690 VanDerWaalsContact CD2-CE 3.42Å; Y578-K690 HydrophobicContact CE1-CG 3.89Å; Y578-K690 HydrophobicContact CE2-CD 4.48Å; Y578-K690 VanDerWaalsContact CE2-CE 3.47Å; Y578-K690 HydrophobicContact CE2-CG 4.19Å; N636-K690 WeakPolarHBondContact O-CB 3.26Å; N636-K690 PolarHBondContact O-N 2.85Å; F638-K690 HydrophobicContact CD1-CB 4.02Å; F638-K690 HydrophobicContact CD1-CG 4.23Å; Y688-K690 PolarHBondContact O-N 2.79Å; K690-A692 PolarHBondContact O-N 3.41Å; K690-N693 PolarHBondContact O-N 3.19Å; K690-N693 VanDerWaalsContact O-N 3.1Å; K690-Y694 WeakPolarHBondContact O-CD2 3.31Å
691	V	96.9	Very high	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.3	-171.3	178	0	0	0	0	112.8	L492 L571 P572 A669 A670 I672 T689 N693 Y694 V695 I698	L492-V691 HydrophobicContact CD2-CG1 4.06Å; L492-V691 HydrophobicContact CD2-CG2 4.2Å; L571-V691 HydrophobicContact CD2-CG1 4.45Å; P572-V691 HydrophobicContact CG-CB 4.07Å; P572-V691 HydrophobicContact CG-CG1 3.77Å; A669-V691 HydrophobicContact CB-CG1 4.48Å; A669-V691 WeakPolarHBondContact O-CB 3.41Å; A669-V691 WeakPolarHBondContact O-CG1 3.31Å; A669-V691 WeakPolarHBondContact O-CG2 3.42Å; A670-V691 PolarHBondContact O-N 3.08Å; I672-V691 HydrophobicContact CD1-CG2 4.08Å; I672-V691 HydrophobicContact CG1-CG2 3.75Å; T689-V691 PolarHBondContact O-N 3.49Å; V691-N693 PolarHBondContact O-N 3.15Å; V691-N693 VanDerWaalsContact O-N 3.14Å; V691-Y694 PolarHBondContact O-N 2.9Å; V691-V695 PolarHBondContact O-N 2.8Å; V691-I698 HydrophobicContact CG1-CD1 3.97Å
692	A	95.3	Very high	92.9	Very high	35 Å²	35	41 Å²	41	29%	0.289	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-52.6	-35	177.3	0	0	0	0	0	113.4	P572 Y578 K690 Y694	P572-A692 HydrophobicContact CB-CB 4.22Å; P572-A692 HydrophobicContact CG-CB 4.14Å; Y578-A692 HydrophobicContact CE2-CB 3.76Å; Y578-A692 WeakPolarHBondContact OH-CB 3.43Å; Y578-A692 PolarHBondContact OH-N 3.25Å; K690-A692 PolarHBondContact O-N 3.41Å; A692-Y694 PolarHBondContact O-N 3.27Å
693	N	95.3	Very high	93.7	Very high	74 Å²	74	42.5 Å²	42.5	40%	0.396	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-72.2	-7.1	179	-65.9	13.5	0	0	0	113.4	D635 N636 K690 V691	D635-N693 PolarHBondContact O-ND2 3.24Å; N636-N693 PolarHBondContact OD1-ND2 2.78Å; K690-N693 PolarHBondContact O-N 3.19Å; K690-N693 VanDerWaalsContact O-N 3.1Å; V691-N693 PolarHBondContact O-N 3.15Å; V691-N693 VanDerWaalsContact O-N 3.14Å
694	Y	96.9	Very high	94.5	Very high	6 Å²	6	47 Å²	47	2%	0.024	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-124.9	4.2	-172.8	-60.9	-83	0	0	0	113.9	H536 H549 I551 N636 T689 K690 V691 A692 D696 W697 I698	H536-Y694 AromaticContact CD2-CD1 3.65Å; H536-Y694 AromaticContact CD2-CE1 3.84Å; H536-Y694 AromaticContact NE2-CD1 3.69Å; H536-Y694 AromaticContact NE2-CE1 3.7Å; H549-Y694 VanDerWaalsContact CA-OH 3.22Å; H549-Y694 WeakPolarHBondContact CA-OH 3.48Å; H549-Y694 HydrophobicContact CB-CE1 4.16Å; H549-Y694 PolarHBondContact N-OH 2.83Å; H549-Y694 AromaticContact ND1-CE1 3.48Å; H549-Y694 WeakPolarHBondContact ND1-CE1 3.41Å; H549-Y694 AromaticContact ND1-CZ 3.68Å; H549-Y694 PolarHBondContact ND1-OH 3.33Å; I551-Y694 HydrophobicContact CD1-CD2 4.3Å; I551-Y694 HydrophobicContact CD1-CG 3.94Å; I551-Y694 HydrophobicContact CG2-CD1 3.83Å; I551-Y694 HydrophobicContact CG2-CD2 4.46Å; I551-Y694 HydrophobicContact CG2-CE1 4Å; I551-Y694 HydrophobicContact CG2-CG 4.07Å; N636-Y694 HydrophobicContact CB-CE2 4.18Å; N636-Y694 WeakPolarHBondContact CB-OH 3.47Å; N636-Y694 VanDerWaalsContact CG-OH 3.28Å; N636-Y694 PolarHBondContact ND2-OH 3.17Å; T689-Y694 HydrophobicContact CG2-CD2 4Å; T689-Y694 HydrophobicContact CG2-CE2 3.54Å; K690-Y694 WeakPolarHBondContact O-CD2 3.31Å; V691-Y694 PolarHBondContact O-N 2.9Å; A692-Y694 PolarHBondContact O-N 3.27Å; Y694-D696 VanDerWaalsContact C-N 3.27Å; Y694-D696 PolarHBondContact O-N 2.9Å; Y694-W697 WeakPolarHBondContact O-CB 3.35Å; Y694-W697 PolarHBondContact O-N 3.28Å; Y694-W697 VanDerWaalsContact O-N 3.08Å; Y694-I698 WeakPolarHBondContact O-CG1 3.25Å; Y694-I698 PolarHBondContact O-N 3.04Å
695	V	96.4	Very high	94.8	Very high	24 Å²	24	49.9 Å²	49.9	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-40.3	-178.3	173.9	0	0	0	0	111.7	P572 V691 W697 I698 N699	P572-V695 HydrophobicContact CG-CG2 3.68Å; V691-V695 PolarHBondContact O-N 2.8Å; V695-W697 PolarHBondContact O-N 2.89Å; V695-I698 PolarHBondContact O-N 2.84Å; V695-N699 WeakPolarHBondContact CG1-ND2 3.35Å; V695-N699 WeakPolarHBondContact O-CB 3.45Å; V695-N699 PolarHBondContact O-N 3.11Å; V695-N699 PolarHBondContact O-ND2 2.93Å
696	D	95.5	Very high	95.2	Very high	140 Å²	140	51.8 Å²	51.8	75%	0.749	25%	0.25	S	C	*	.	H	α-helix	trans	-61.7	-43	176.1	-71.9	-24.1	0	0	0	112.6	Y694 K700	Y694-D696 VanDerWaalsContact C-N 3.27Å; Y694-D696 PolarHBondContact O-N 2.9Å; D696-K700 VanDerWaalsContact O-CB 3.23Å; D696-K700 WeakPolarHBondContact O-CB 3.49Å; D696-K700 PolarHBondContact O-N 3.21Å
697	W	97.3	Very high	95.5	Very high	32 Å²	32	54.5 Å²	54.5	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-44	176	173.2	81.4	0	0	0	111	H534 H536 I551 L553 Y694 V695 K700 I701	H534-W697 HydrophobicContact CB-CZ2 4.43Å; H534-W697 WeakPolarHBondContact O-CH2 2.97Å; H536-W697 HydrophobicContact CB-CZ2 4.24Å; H536-W697 AromaticContact CD2-CD1 3.79Å; H536-W697 AromaticContact CD2-CD2 3.63Å; H536-W697 AromaticContact CD2-CE2 3.8Å; H536-W697 AromaticContact CD2-CG 3.65Å; H536-W697 AromaticContact CD2-NE1 3.87Å; I551-W697 HydrophobicContact CD1-CE3 4.16Å; I551-W697 HydrophobicContact CD1-CZ3 3.91Å; I551-W697 HydrophobicContact CG1-CE3 4.49Å; I551-W697 HydrophobicContact CG1-CZ3 3.81Å; I551-W697 HydrophobicContact CG2-CZ3 4.3Å; L553-W697 HydrophobicContact CB-CH2 4.4Å; L553-W697 HydrophobicContact CD1-CH2 4.19Å; L553-W697 HydrophobicContact CD1-CZ3 4.07Å; L553-W697 HydrophobicContact CG-CH2 3.97Å; L553-W697 HydrophobicContact CG-CZ3 3.92Å; Y694-W697 WeakPolarHBondContact O-CB 3.35Å; Y694-W697 PolarHBondContact O-N 3.28Å; Y694-W697 VanDerWaalsContact O-N 3.08Å; V695-W697 PolarHBondContact O-N 2.89Å; W697-K700 PolarHBondContact O-N 3.4Å; W697-I701 HydrophobicContact CD2-CG1 4.32Å; W697-I701 HydrophobicContact CZ2-CG1 4.14Å; W697-I701 VanDerWaalsContact O-CG1 3.32Å; W697-I701 WeakPolarHBondContact O-CG1 3.49Å; W697-I701 PolarHBondContact O-N 2.96Å
698	I	97.9	Very high	95.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-53.6	176.9	-66.6	164.2	0	0	0	110.2	I486 L492 I551 L553 L571 V691 Y694 V695 K700 I701 M702	I486-I698 HydrophobicContact CD1-CG2 3.78Å; L492-I698 HydrophobicContact CD1-CD1 4.11Å; L492-I698 HydrophobicContact CD1-CG1 4.43Å; L492-I698 HydrophobicContact CD2-CD1 4.37Å; I551-I698 HydrophobicContact CD1-CD1 4.11Å; I551-I698 HydrophobicContact CD1-CG1 4.29Å; L553-I698 HydrophobicContact CD1-CB 4.49Å; L553-I698 HydrophobicContact CD1-CG2 4.26Å; L553-I698 HydrophobicContact CD2-CG2 4.41Å; L571-I698 HydrophobicContact CD1-CG2 3.68Å; L571-I698 HydrophobicContact CD2-CD1 4.03Å; L571-I698 HydrophobicContact CD2-CG2 4.36Å; V691-I698 HydrophobicContact CG1-CD1 3.97Å; Y694-I698 WeakPolarHBondContact O-CG1 3.25Å; Y694-I698 PolarHBondContact O-N 3.04Å; V695-I698 PolarHBondContact O-N 2.84Å; I698-K700 VanDerWaalsContact C-N 3.31Å; I698-K700 PolarHBondContact O-N 3.35Å; I698-I701 PolarHBondContact O-N 2.89Å; I698-M702 HydrophobicContact CG2-CG 4.36Å; I698-M702 HydrophobicContact CG2-SD 3.55Å; I698-M702 VanDerWaalsContact CG2-SD 3.55Å; I698-M702 WeakPolarHBondContact O-CB 2.88Å; I698-M702 VanDerWaalsContact O-CG 3.3Å; I698-M702 WeakPolarHBondContact O-CG 3.5Å; I698-M702 PolarHBondContact O-N 3.35Å
699	N	96.6	Very high	95.8	Very high	63 Å²	63	60.7 Å²	60.7	34%	0.337	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-36.7	-178.9	-75.6	-28.3	0	0	0	112.6	V695 R703	V695-N699 WeakPolarHBondContact CG1-ND2 3.35Å; V695-N699 WeakPolarHBondContact O-CB 3.45Å; V695-N699 PolarHBondContact O-N 3.11Å; V695-N699 PolarHBondContact O-ND2 2.93Å; N699-R703 VanDerWaalsContact O-CB 3.27Å; N699-R703 WeakPolarHBondContact O-CB 3.46Å; N699-R703 PolarHBondContact O-N 2.69Å
700	K	97.1	Very high	95.7	Very high	113 Å²	113	64.4 Å²	64.4	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-51.8	175.3	-179.2	-177.9	177	-176.3	0	110.9	D696 W697 I698 M702 R703 E704	D696-K700 VanDerWaalsContact O-CB 3.23Å; D696-K700 WeakPolarHBondContact O-CB 3.49Å; D696-K700 PolarHBondContact O-N 3.21Å; W697-K700 PolarHBondContact O-N 3.4Å; I698-K700 VanDerWaalsContact C-N 3.31Å; I698-K700 PolarHBondContact O-N 3.35Å; K700-M702 PolarHBondContact O-N 3.36Å; K700-R703 PolarHBondContact O-N 2.84Å; K700-E704 VanDerWaalsContact CE-CD 3.45Å; K700-E704 WeakPolarHBondContact CE-OE1 3.34Å; K700-E704 VanDerWaalsContact CE-OE2 3.32Å; K700-E704 WeakPolarHBondContact CE-OE2 3.28Å; K700-E704 HydrophobicContact CG-CG 4.37Å; K700-E704 WeakPolarHBondContact CG-OE1 3.27Å; K700-E704 WeakPolarHBondContact O-CB 3.28Å; K700-E704 WeakPolarHBondContact O-CG 3.48Å; K700-E704 PolarHBondContact O-N 3.09Å
701	I	97.6	Very high	95.7	Very high	22 Å²	22	64.9 Å²	64.9	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-44.2	-178.8	-65.6	-62.1	0	0	0	111.2	W490 H534 L553 W697 I698 R703 E704 N705	W490-I701 HydrophobicContact CH2-CG2 3.86Å; W490-I701 HydrophobicContact CZ3-CG2 3.93Å; H534-I701 HydrophobicContact CB-CG2 3.89Å; L553-I701 HydrophobicContact CD1-CB 3.84Å; L553-I701 HydrophobicContact CD1-CG2 3.71Å; W697-I701 HydrophobicContact CD2-CG1 4.32Å; W697-I701 HydrophobicContact CZ2-CG1 4.14Å; W697-I701 VanDerWaalsContact O-CG1 3.32Å; W697-I701 WeakPolarHBondContact O-CG1 3.49Å; W697-I701 PolarHBondContact O-N 2.96Å; I698-I701 PolarHBondContact O-N 2.89Å; I701-R703 PolarHBondContact O-N 2.75Å; I701-E704 PolarHBondContact O-N 3.5Å; I701-N705 PolarHBondContact O-N 2.67Å; I701-N705 PolarHBondContact O-ND2 3.34Å
702	M	96.3	Very high	95.7	Very high	46 Å²	46	69.6 Å²	69.6	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-23.1	178.6	-70.8	175.6	60.3	0	0	114	I486 A487 W490 L553 I698 K700	I486-M702 HydrophobicContact CD1-SD 3.77Å; A487-M702 HydrophobicContact CB-CE 3.61Å; W490-M702 HydrophobicContact CB-CE 4.35Å; W490-M702 HydrophobicContact CB-SD 4.45Å; W490-M702 HydrophobicContact CD2-CG 3.71Å; W490-M702 HydrophobicContact CE3-CG 4.23Å; W490-M702 HydrophobicContact CG-CE 4.11Å; W490-M702 HydrophobicContact CG-CG 3.83Å; W490-M702 HydrophobicContact CG-SD 4.29Å; W490-M702 HydrophobicContact CZ2-CB 4.41Å; W490-M702 HydrophobicContact CZ2-CG 4.32Å; L553-M702 HydrophobicContact CD1-CG 4.41Å; I698-M702 HydrophobicContact CG2-CG 4.36Å; I698-M702 HydrophobicContact CG2-SD 3.55Å; I698-M702 VanDerWaalsContact CG2-SD 3.55Å; I698-M702 WeakPolarHBondContact O-CB 2.88Å; I698-M702 VanDerWaalsContact O-CG 3.3Å; I698-M702 WeakPolarHBondContact O-CG 3.5Å; I698-M702 PolarHBondContact O-N 3.35Å; K700-M702 PolarHBondContact O-N 3.36Å
703	R	94.9	Very high	95.7	Very high	205 Å²	205	72.2 Å²	72.2	77%	0.774	34%	0.341	S	S	*	.	H	α-helix	trans	-91	-36.6	179.5	-169.5	-171.4	-50.3	173.8	4.7	112.6	N699 K700 I701	N699-R703 VanDerWaalsContact O-CB 3.27Å; N699-R703 WeakPolarHBondContact O-CB 3.46Å; N699-R703 PolarHBondContact O-N 2.69Å; K700-R703 PolarHBondContact O-N 2.84Å; I701-R703 PolarHBondContact O-N 2.75Å
704	E	93.4	Very high	95.7	Very high	125 Å²	125	72.1 Å²	72.1	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-80.7	-16.9	-177.3	-71.9	177.4	173	0	0	113.3	K700 I701	K700-E704 VanDerWaalsContact CE-CD 3.45Å; K700-E704 WeakPolarHBondContact CE-OE1 3.34Å; K700-E704 VanDerWaalsContact CE-OE2 3.32Å; K700-E704 WeakPolarHBondContact CE-OE2 3.28Å; K700-E704 HydrophobicContact CG-CG 4.37Å; K700-E704 WeakPolarHBondContact CG-OE1 3.27Å; K700-E704 WeakPolarHBondContact O-CB 3.28Å; K700-E704 WeakPolarHBondContact O-CG 3.48Å; K700-E704 PolarHBondContact O-N 3.09Å; I701-E704 PolarHBondContact O-N 3.5Å
705	N	88.8	Confident	95.6	Very high	89 Å²	89	78.1 Å²	78.1	48%	0.476	37%	0.365	S	S	.	.			trans	-125.1	0	-177.1	-60.1	-93.9	0	0	0	110	W490 H534 K555 I701	W490-N705 HydrophobicContact CH2-CB 4.03Å; W490-N705 HydrophobicContact CZ2-CB 4.21Å; W490-N705 WeakPolarHBondContact CZ2-OXT 3.32Å; H534-N705 PolarHBondContact CE1-OD1 2.93Å; K555-N705 VanDerWaalsContact NZ-C 3.3Å; K555-N705 PolarHBondContact NZ-O 2.76Å; I701-N705 PolarHBondContact O-N 2.67Å; I701-N705 PolarHBondContact O-ND2 3.34Å

Retrieved 705 of 705 residues in 226.5 ms (Link to these results)

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