A0A3Q0KUX9_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	47.9	Very low	219 Å²	219	139.9 Å²	139.9	100%	1.079	71%	0.713	S	S	*	*				0	150.5	0	-67	164.7	179.1	0	0	108.2
2	R	38.8	Very low	48.5	Very low	243 Å²	243	133.6 Å²	133.6	92%	0.917	69%	0.691	S	S	*	*			trans	-82.4	117.5	170	-76.1	-177.6	174.8	174.8	-2.3	108.2	T4	R2-T4 PolarHBondContact O-N 3.43Å
3	Y	49.3	Very low	48.8	Very low	211 Å²	211	134.6 Å²	134.6	83%	0.827	69%	0.688	S	S	*	*			trans	-81.1	101.8	174.2	-75.5	-84.7	0	0	0	109.7	L5	Y3-L5 PolarHBondContact O-N 3.48Å
4	T	45.3	Very low	49.3	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	67%	0.67	S	S	*	*			trans	-74.6	103	163.7	46.2	0	0	0	0	108.7	R2 L6	R2-T4 PolarHBondContact O-N 3.43Å; T4-L6 PolarHBondContact O-N 3.48Å
5	L	42.9	Very low	49.6	Very low	151 Å²	151	128.4 Å²	128.4	79%	0.791	66%	0.664	S	S	*	*			trans	-59.7	126.4	167.4	-78.7	160.7	0	0	0	109	Y3 L9	Y3-L5 PolarHBondContact O-N 3.48Å; L5-L9 HydrophobicContact CD2-CD1 4.49Å
6	L	48.3	Very low	50.2	Low	113 Å²	113	126.8 Å²	126.8	59%	0.592	66%	0.655	S	S	*	*			trans	-71.1	137.7	179.1	-93.2	69	0	0	0	110.3	T4 S8 L9	T4-L6 PolarHBondContact O-N 3.48Å; L6-S8 PolarHBondContact O-N 2.93Å; L6-S8 VanDerWaalsContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 2.72Å
7	P	53.6	Low	50.6	Low	105 Å²	105	123.8 Å²	123.8	68%	0.682	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-13.9	-179.1	26.1	-34.6	0	0	0	114	L9 S10	P7-L9 PolarHBondContact O-N 2.99Å; P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 2.9Å; P7-S10 VanDerWaalsContact O-N 3.11Å
8	S	53.9	Low	50.9	Low	73 Å²	73	122.9 Å²	122.9	51%	0.51	64%	0.639	S	S	.	*	H	α-helix	trans	-59.4	-31.4	176.6	50.7	0	0	0	0	113.7	L6 S10 I11	L6-S8 PolarHBondContact O-N 2.93Å; L6-S8 VanDerWaalsContact O-N 3.1Å; S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.33Å; S8-I11 PolarHBondContact O-N 2.88Å
9	L	47.7	Very low	50.9	Low	118 Å²	118	125.6 Å²	125.6	62%	0.618	64%	0.64	S	S	*	*	H	α-helix	trans	-66.5	-32.3	176.2	-78.2	164	0	0	0	112.5	L5 L6 P7 F13	L5-L9 HydrophobicContact CD2-CD1 4.49Å; L6-L9 PolarHBondContact O-N 2.72Å; P7-L9 PolarHBondContact O-N 2.99Å; L9-F13 PolarHBondContact O-N 2.77Å
10	S	50.9	Low	50.9	Low	76 Å²	76	122.1 Å²	122.1	53%	0.531	63%	0.626	S	S	.	*	H	α-helix	trans	-67.1	-39.3	179.6	-165.8	0	0	0	0	112	P7 S8 F13 C14	P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 2.9Å; P7-S10 VanDerWaalsContact O-N 3.11Å; S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.33Å; S10-F13 PolarHBondContact O-N 2.83Å; S10-C14 PolarHBondContact O-N 2.86Å; S10-C14 PolarHBondContact O-SG 2.91Å
11	I	52.7	Low	50.8	Low	112 Å²	112	121.4 Å²	121.4	57%	0.574	62%	0.623	S	S	*	*	H	α-helix	trans	-65.5	-43.4	-178.6	-59.5	169.5	0	0	0	110.1	S8 F13 C14 L15	S8-I11 PolarHBondContact O-N 2.88Å; I11-F13 VanDerWaalsContact C-N 3.28Å; I11-F13 PolarHBondContact O-N 2.87Å; I11-C14 PolarHBondContact O-N 2.84Å; I11-L15 HydrophobicContact CG2-CD1 4.45Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 2.73Å; I11-L15 VanDerWaalsContact O-N 3.1Å
12	S	55.6	Low	51.2	Low	64 Å²	64	119.2 Å²	119.2	45%	0.448	61%	0.608	S	S	.	*	H	α-helix	trans	-61.7	-36.8	175.9	-168.9	0	0	0	0	112.3	I16	S12-I16 WeakPolarHBondContact O-CD1 3.41Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.36Å; S12-I16 PolarHBondContact O-N 3.25Å
13	F	52.6	Low	51.6	Low	147 Å²	147	113 Å²	113	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-70.9	-40.5	179	-144.5	-85.9	0	0	0	111.7	L9 S10 I11 L15 I16 V17	L9-F13 PolarHBondContact O-N 2.77Å; S10-F13 PolarHBondContact O-N 2.83Å; I11-F13 VanDerWaalsContact C-N 3.28Å; I11-F13 PolarHBondContact O-N 2.87Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.69Å; F13-I16 PolarHBondContact O-N 2.83Å; F13-V17 HydrophobicContact CD1-CG2 4.07Å; F13-V17 HydrophobicContact CE1-CG2 4.15Å; F13-V17 WeakPolarHBondContact O-CG2 3.26Å; F13-V17 PolarHBondContact O-N 2.99Å; F13-V17 VanDerWaalsContact O-N 3.09Å
14	C	55.2	Low	51.3	Low	65 Å²	65	109.5 Å²	109.5	44%	0.439	58%	0.577	S	S	.	*	H	α-helix	trans	-59.4	-43.2	173.7	-65.8	0	0	0	0	112	S10 I11 I16 V17 I18	S10-C14 PolarHBondContact O-N 2.86Å; S10-C14 PolarHBondContact O-SG 2.91Å; I11-C14 PolarHBondContact O-N 2.84Å; C14-I16 PolarHBondContact O-N 3.38Å; C14-V17 PolarHBondContact O-N 3.08Å; C14-I18 HydrophobicContact CB-CD1 4.4Å; C14-I18 WeakPolarHBondContact O-CB 3.42Å; C14-I18 WeakPolarHBondContact O-CD1 3.35Å; C14-I18 WeakPolarHBondContact O-CG1 3.34Å; C14-I18 PolarHBondContact O-N 2.84Å
15	L	53.9	Low	51.3	Low	111 Å²	111	108.8 Å²	108.8	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-63.4	-39.4	177.3	-69.3	171.6	0	0	0	112.5	I11 F13 V17 I18 W19	I11-L15 HydrophobicContact CG2-CD1 4.45Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 2.73Å; I11-L15 VanDerWaalsContact O-N 3.1Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.69Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.7Å; L15-I18 PolarHBondContact O-N 2.66Å; L15-W19 WeakPolarHBondContact O-CB 3.28Å; L15-W19 PolarHBondContact O-N 3.14Å; L15-W19 VanDerWaalsContact O-N 3.13Å
16	I	59.5	Low	51.7	Low	103 Å²	103	105.7 Å²	105.7	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-28.5	177.2	-69.2	164.7	0	0	0	112.2	S12 F13 C14 P20	S12-I16 WeakPolarHBondContact O-CD1 3.41Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.36Å; S12-I16 PolarHBondContact O-N 3.25Å; F13-I16 PolarHBondContact O-N 2.83Å; C14-I16 PolarHBondContact O-N 3.38Å; I16-P20 WeakPolarHBondContact O-CD 3.34Å
17	V	56.7	Low	51.5	Low	75 Å²	75	107 Å²	107	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-87.5	-33.7	177.1	175.6	0	0	0	0	112.5	F13 C14 L15 P20	F13-V17 HydrophobicContact CD1-CG2 4.07Å; F13-V17 HydrophobicContact CE1-CG2 4.15Å; F13-V17 WeakPolarHBondContact O-CG2 3.26Å; F13-V17 PolarHBondContact O-N 2.99Å; F13-V17 VanDerWaalsContact O-N 3.09Å; C14-V17 PolarHBondContact O-N 3.08Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.7Å; V17-P20 WeakPolarHBondContact O-CD 3.42Å; V17-P20 WeakPolarHBondContact O-CG 3.37Å
18	I	55.5	Low	51.4	Low	108 Å²	108	107 Å²	107	55%	0.554	56%	0.556	S	S	*	*	H	α-helix	trans	-72.3	-34.2	178.9	-69.7	164.2	0	0	0	111.7	C14 L15 N21 K22	C14-I18 HydrophobicContact CB-CD1 4.4Å; C14-I18 WeakPolarHBondContact O-CB 3.42Å; C14-I18 WeakPolarHBondContact O-CD1 3.35Å; C14-I18 WeakPolarHBondContact O-CG1 3.34Å; C14-I18 PolarHBondContact O-N 2.84Å; L15-I18 PolarHBondContact O-N 2.66Å; I18-N21 PolarHBondContact O-N 2.75Å; I18-K22 PolarHBondContact O-N 3.04Å
19	W	50.8	Low	51.6	Low	174 Å²	174	106.2 Å²	106.2	66%	0.659	55%	0.55	S	S	*	*	H	α-helix	trans	-58.4	-55.8	-179.6	-157.7	-28.8	0	0	0	113.2	L15 N21 K22 F23	L15-W19 WeakPolarHBondContact O-CB 3.28Å; L15-W19 PolarHBondContact O-N 3.14Å; L15-W19 VanDerWaalsContact O-N 3.13Å; W19-N21 VanDerWaalsContact C-N 3.31Å; W19-N21 PolarHBondContact O-N 3.07Å; W19-K22 PolarHBondContact O-N 2.83Å; W19-K22 VanDerWaalsContact O-N 3.09Å; W19-F23 AromaticContact CD1-CD2 3.78Å; W19-F23 AromaticContact CD1-CE2 3.47Å; W19-F23 VanDerWaalsContact CD1-CE2 3.47Å; W19-F23 AromaticContact NE1-CE2 3.37Å; W19-F23 AromaticContact NE1-CZ 3.88Å; W19-F23 WeakPolarHBondContact O-CD2 3.23Å
20	P	52.1	Low	52.5	Low	55 Å²	55	101.6 Å²	101.6	36%	0.357	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-34.6	178.7	25.8	-35	0	0	0	112.7	I16 V17 K22 F23 F24	I16-P20 WeakPolarHBondContact O-CD 3.34Å; V17-P20 WeakPolarHBondContact O-CD 3.42Å; V17-P20 WeakPolarHBondContact O-CG 3.37Å; P20-K22 PolarHBondContact O-N 2.83Å; P20-K22 VanDerWaalsContact O-N 3.13Å; P20-F23 WeakPolarHBondContact O-CA 3.49Å; P20-F23 PolarHBondContact O-N 2.75Å; P20-F24 HydrophobicContact CB-CD2 4.45Å; P20-F24 HydrophobicContact CB-CE2 4.13Å; P20-F24 VanDerWaalsContact O-CD2 3.23Å; P20-F24 WeakPolarHBondContact O-CD2 3.07Å; P20-F24 PolarHBondContact O-N 2.97Å
21	N	49.1	Very low	52.8	Low	108 Å²	108	105.6 Å²	105.6	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-60.1	-22.4	174.8	-94.5	40.7	0	0	0	113.6	I18 W19 N25	I18-N21 PolarHBondContact O-N 2.75Å; W19-N21 VanDerWaalsContact C-N 3.31Å; W19-N21 PolarHBondContact O-N 3.07Å; N21-N25 PolarHBondContact O-OD1 3.03Å; N21-N25 VanDerWaalsContact O-OD1 3.11Å
22	K	50.3	Low	53.1	Low	174 Å²	174	107 Å²	107	76%	0.757	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.3	173.5	-145.6	-172.6	179.3	-170.9	0	113.9	I18 W19 P20	I18-K22 PolarHBondContact O-N 3.04Å; W19-K22 PolarHBondContact O-N 2.83Å; W19-K22 VanDerWaalsContact O-N 3.09Å; P20-K22 PolarHBondContact O-N 2.83Å; P20-K22 VanDerWaalsContact O-N 3.13Å
23	F	47.8	Very low	53.3	Low	113 Å²	113	106.1 Å²	106.1	50%	0.496	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-22.9	176.8	-82.3	-112.9	0	0	0	112.2	W19 P20 N25 C26	W19-F23 AromaticContact CD1-CD2 3.78Å; W19-F23 AromaticContact CD1-CE2 3.47Å; W19-F23 VanDerWaalsContact CD1-CE2 3.47Å; W19-F23 AromaticContact NE1-CE2 3.37Å; W19-F23 AromaticContact NE1-CZ 3.88Å; W19-F23 WeakPolarHBondContact O-CD2 3.23Å; P20-F23 WeakPolarHBondContact O-CA 3.49Å; P20-F23 PolarHBondContact O-N 2.75Å; F23-N25 PolarHBondContact O-N 2.79Å; F23-C26 PolarHBondContact O-N 2.86Å
24	F	43.4	Very low	53.6	Low	136 Å²	136	104.1 Å²	104.1	60%	0.596	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.4	173	-80.6	-66.1	0	0	0	113.9	P20 C26 E27	P20-F24 HydrophobicContact CB-CD2 4.45Å; P20-F24 HydrophobicContact CB-CE2 4.13Å; P20-F24 VanDerWaalsContact O-CD2 3.23Å; P20-F24 WeakPolarHBondContact O-CD2 3.07Å; P20-F24 PolarHBondContact O-N 2.97Å; F24-C26 PolarHBondContact O-N 2.96Å; F24-E27 PolarHBondContact O-N 2.93Å
25	N	44.9	Very low	54	Low	103 Å²	103	109.9 Å²	109.9	55%	0.551	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-63.5	4.6	173.1	-73.8	74.9	0	0	0	115.3	N21 F23	N21-N25 PolarHBondContact O-OD1 3.03Å; N21-N25 VanDerWaalsContact O-OD1 3.11Å; F23-N25 PolarHBondContact O-N 2.79Å
26	C	50.5	Low	55	Low	86 Å²	86	106.9 Å²	106.9	58%	0.581	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-80.5	-18.2	169.4	-70.9	0	0	0	0	113.4	F23 F24 S29	F23-C26 PolarHBondContact O-N 2.86Å; F24-C26 PolarHBondContact O-N 2.96Å; C26-S29 PolarHBondContact O-OG 2.82Å
27	E	45.1	Very low	56.3	Low	140 Å²	140	105.4 Å²	105.4	65%	0.654	52%	0.52	S	S	*	.	S	Bend	trans	-66.4	-46.1	-179.8	-146.9	92.8	-156.5	0	0	111.4	F24 S29	F24-E27 PolarHBondContact O-N 2.93Å; E27-S29 PolarHBondContact O-N 3.16Å
28	D	51.7	Low	57.9	Low	107 Å²	107	105 Å²	105	57%	0.572	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.7	-174.4	-55.1	-45.6	0	0	0	113.3	C30 Q31	D28-C30 VanDerWaalsContact C-N 3.26Å; D28-C30 PolarHBondContact O-N 3.29Å; D28-C30 VanDerWaalsContact O-N 3.15Å; D28-Q31 PolarHBondContact O-N 2.87Å
29	S	58.6	Low	59.7	Low	55 Å²	55	103.2 Å²	103.2	39%	0.385	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-67	-16.8	-168.4	66.3	0	0	0	0	115.8	C26 E27 L33	C26-S29 PolarHBondContact O-OG 2.82Å; E27-S29 PolarHBondContact O-N 3.16Å; S29-L33 WeakPolarHBondContact O-CG 3.21Å
30	C	66.2	Low	61.7	Low	21 Å²	21	95.2 Å²	95.2	14%	0.142	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-81.7	-29.2	176.2	-72.9	0	0	0	0	113.5	D28 L33 C187 N188	D28-C30 VanDerWaalsContact C-N 3.26Å; D28-C30 PolarHBondContact O-N 3.29Å; D28-C30 VanDerWaalsContact O-N 3.15Å; C30-L33 PolarHBondContact O-N 2.69Å; C30-C187 WeakPolarHBondContact CA-SG 3.3Å; C30-C187 HydrophobicContact CB-CB 3.89Å; C30-C187 WeakPolarHBondContact CB-SG 3.44Å; C30-C187 WeakPolarHBondContact SG-CB 3.39Å; C30-C187 CovalentContact SG-SG 2.04Å; C30-C187 PolarHBondContact SG-SG 2.94Å; C30-N188 VanDerWaalsContact SG-CG 3.52Å; C30-N188 PolarHBondContact SG-ND2 2.81Å; C30-N188 VanDerWaalsContact SG-ND2 3.36Å
31	Q	56.2	Low	63.6	Low	160 Å²	160	94.2 Å²	94.2	75%	0.748	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-76.4	-32.7	-177.8	-167.7	168.1	-2	0	0	111.7	D28 L33 Q34	D28-Q31 PolarHBondContact O-N 2.87Å; Q31-L33 PolarHBondContact O-N 2.83Å; Q31-Q34 PolarHBondContact O-N 2.69Å
32	E	59.5	Low	65.7	Low	141 Å²	141	92.7 Å²	92.7	66%	0.659	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.2	172	-65.6	-169.6	151.1	0	0	113.2	Y36	E32-Y36 WeakPolarHBondContact O-CB 3.4Å
33	L	60.7	Low	67.7	Low	47 Å²	47	87.2 Å²	87.2	25%	0.246	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-84.6	-14.6	-175.1	-72.4	173.2	0	0	0	114.9	S29 C30 Q31 N52 I192	S29-L33 WeakPolarHBondContact O-CG 3.21Å; C30-L33 PolarHBondContact O-N 2.69Å; Q31-L33 PolarHBondContact O-N 2.83Å; L33-N52 PolarHBondContact O-ND2 3.22Å; L33-I192 HydrophobicContact CB-CD1 3.68Å
34	Q	58	Low	69.9	Low	104 Å²	104	88.4 Å²	88.4	49%	0.486	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-43.2	176	-75	-176.8	-29.5	0	0	112	Q31 I192	Q31-Q34 PolarHBondContact O-N 2.69Å; Q34-I192 HydrophobicContact CG-CB 4.15Å; Q34-I192 HydrophobicContact CG-CD1 4.13Å; Q34-I192 HydrophobicContact CG-CG2 4.34Å
35	E	62.8	Low	72.4	Confident	186 Å²	186	83.8 Å²	83.8	87%	0.869	44%	0.436	S	S	*	.	S	Bend	trans	-101.4	25.7	-176.1	-61.6	-175.3	168.5	0	0	113.4	D37	E35-D37 PolarHBondContact O-N 3.42Å
36	Y	75.9	Confident	74.8	Confident	48 Å²	48	79.2 Å²	79.2	19%	0.188	41%	0.411	C	S	.	.			trans	-78.9	78.1	-175.2	-155.4	-95.4	0	0	0	112.9	E32 K38 I50 H51 E245	E32-Y36 WeakPolarHBondContact O-CB 3.4Å; Y36-K38 HydrophobicContact CE1-CD 4.06Å; Y36-K38 HydrophobicContact CE1-CG 4.37Å; Y36-K38 HydrophobicContact CE2-CD 4.3Å; Y36-K38 VanDerWaalsContact CZ-CE 3.47Å; Y36-K38 VanDerWaalsContact OH-CE 3.31Å; Y36-K38 WeakPolarHBondContact OH-CE 3.48Å; Y36-K38 PolarHBondContact OH-NZ 2.84Å; Y36-I50 HydrophobicContact CE1-CG2 4.13Å; Y36-H51 VanDerWaalsContact O-CA 3.25Å; Y36-H51 WeakPolarHBondContact O-CA 3.31Å; Y36-E245 PolarHBondContact OH-OE1 3.47Å; Y36-E245 PolarHBondContact OH-OE2 2.99Å
37	D	86.5	Confident	76.9	Confident	73 Å²	73	76 Å²	76	39%	0.39	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.5	158.9	177.7	11.4	0	0	0	109.7	E35 R47 S49 H51	E35-D37 PolarHBondContact O-N 3.42Å; D37-R47 IonicContact OD1-NH2 2.73Å; D37-R47 IonicContact OD2-NH2 3.2Å; D37-R47 PolarHBondContact OD2-NH2 3.25Å; D37-S49 WeakPolarHBondContact OD1-CB 3.14Å; D37-H51 IonicContact OD1-CE1 3.93Å; D37-H51 PolarHBondContact OD1-CE1 2.6Å; D37-H51 VanDerWaalsContact OD1-CE1 3.28Å; D37-H51 IonicContact OD1-NE2 2.75Å; D37-H51 IonicContact OD2-CE1 2.78Å
38	K	91	Very high	79.3	Confident	67 Å²	67	69.4 Å²	69.4	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101	169.5	-71.7	-176.9	177.7	173.7	0	110.2	Y36 I40 S49 I50 A243 E245	Y36-K38 HydrophobicContact CE1-CD 4.06Å; Y36-K38 HydrophobicContact CE1-CG 4.37Å; Y36-K38 HydrophobicContact CE2-CD 4.3Å; Y36-K38 VanDerWaalsContact CZ-CE 3.47Å; Y36-K38 VanDerWaalsContact OH-CE 3.31Å; Y36-K38 WeakPolarHBondContact OH-CE 3.48Å; Y36-K38 PolarHBondContact OH-NZ 2.84Å; K38-I40 HydrophobicContact CB-CD1 3.96Å; K38-I40 VanDerWaalsContact O-CD1 3.22Å; K38-I40 WeakPolarHBondContact O-CD1 3.07Å; K38-I40 WeakPolarHBondContact O-CG1 3.46Å; K38-I40 PolarHBondContact O-N 3.06Å; K38-S49 CarbonylContact O-C 3.56Å; K38-S49 VanDerWaalsContact O-CA 3.27Å; K38-S49 WeakPolarHBondContact O-CA 3.33Å; K38-I50 HydrophobicContact CB-CB 4.44Å; K38-I50 PolarHBondContact N-O 3.35Å; K38-I50 PolarHBondContact O-N 3.09Å; K38-A243 HydrophobicContact CD-CB 3.97Å; K38-A243 PolarHBondContact NZ-O 2.98Å; K38-E245 IonicContact NZ-OE1 3.64Å
39	V	93.4	Very high	81.4	Confident	69 Å²	69	64.3 Å²	64.3	42%	0.418	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.4	170.2	-168.4	0	0	0	0	109.9	E42 R47	V39-E42 HydrophobicContact CG1-CB 4.12Å; V39-R47 HydrophobicContact CG1-CG 4.37Å; V39-R47 VanDerWaalsContact CG2-CZ 3.47Å; V39-R47 VanDerWaalsContact CG2-NH2 3.32Å
40	I	92.8	Very high	83	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-43.2	-176.2	-49.3	-49.2	0	0	0	110.1	K38 Y48 I50 K242 A243 D261	K38-I40 HydrophobicContact CB-CD1 3.96Å; K38-I40 VanDerWaalsContact O-CD1 3.22Å; K38-I40 WeakPolarHBondContact O-CD1 3.07Å; K38-I40 WeakPolarHBondContact O-CG1 3.46Å; K38-I40 PolarHBondContact O-N 3.06Å; I40-Y48 HydrophobicContact CB-CD1 3.81Å; I40-Y48 HydrophobicContact CB-CE1 4.38Å; I40-Y48 HydrophobicContact CG1-CD1 3.9Å; I40-Y48 HydrophobicContact CG1-CE1 4.06Å; I40-Y48 HydrophobicContact CG2-CD1 4.21Å; I40-Y48 PolarHBondContact N-O 2.92Å; I40-I50 HydrophobicContact CD1-CD1 3.89Å; I40-I50 HydrophobicContact CD1-CG1 4.19Å; I40-I50 HydrophobicContact CG1-CD1 3.83Å; I40-I50 HydrophobicContact CG1-CG1 3.87Å; I40-K242 HydrophobicContact CG2-CB 4.31Å; I40-K242 HydrophobicContact CG2-CD 4.09Å; I40-K242 WeakPolarHBondContact O-CD 3.43Å; I40-K242 WeakPolarHBondContact O-CE 3.42Å; I40-K242 PolarHBondContact O-NZ 2.82Å; I40-A243 HydrophobicContact CD1-CB 3.75Å; I40-D261 WeakPolarHBondContact CG2-O 3.43Å
41	F	91.2	Very high	84.2	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.145	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.1	178.6	-175	-76.4	0	0	0	109.3	N43 Y46 R47 Y48	F41-N43 HydrophobicContact CE1-CB 3.89Å; F41-N43 HydrophobicContact CZ-CB 4.33Å; F41-Y46 AromaticContact CD1-CD1 3.7Å; F41-Y46 HydrophobicContact CD1-CD1 3.7Å; F41-Y46 HydrophobicContact CD1-CE1 4.24Å; F41-Y46 AromaticContact CE1-CD1 3.97Å; F41-Y46 HydrophobicContact CE1-CD1 3.97Å; F41-R47 CarbonylContact O-C 3.46Å; F41-R47 VanDerWaalsContact O-CA 3.31Å; F41-R47 WeakPolarHBondContact O-CA 3.29Å; F41-Y48 PolarHBondContact N-O 3.32Å; F41-Y48 VanDerWaalsContact N-O 3.13Å; F41-Y48 PolarHBondContact O-N 2.91Å
42	E	93.1	Very high	85.6	Confident	77 Å²	77	54.3 Å²	54.3	36%	0.36	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.5	170.4	-170.2	169.4	127.6	0	0	109.6	V39 Y46 R47 K201 W202	V39-E42 HydrophobicContact CG1-CB 4.12Å; E42-Y46 WeakPolarHBondContact CA-O 3.31Å; E42-R47 HydrophobicContact CB-CG 4.43Å; E42-R47 HydrophobicContact CG-CB 4.23Å; E42-R47 HydrophobicContact CG-CG 4.34Å; E42-R47 VanDerWaalsContact OE2-CD 3.3Å; E42-R47 WeakPolarHBondContact OE2-CD 3.34Å; E42-R47 IonicContact OE2-CZ 3.14Å; E42-R47 IonicContact OE2-NE 2.75Å; E42-R47 IonicContact OE2-NH1 2.63Å; E42-R47 PolarHBondContact OE2-NH1 3.47Å; E42-K201 IonicContact OE1-NZ 2.84Å; E42-K201 PolarHBondContact OE1-NZ 2.87Å; E42-W202 HydrophobicContact CG-CH2 4.45Å; E42-W202 HydrophobicContact CG-CZ2 3.84Å
43	N	93.4	Very high	87.1	Confident	58 Å²	58	48.7 Å²	48.7	31%	0.31	25%	0.247	S	C	.	.			trans	-136.1	-161.2	166.9	74.8	18.2	0	0	0	109.7	F41 S45 Y46 W202	F41-N43 HydrophobicContact CE1-CB 3.89Å; F41-N43 HydrophobicContact CZ-CB 4.33Å; N43-S45 VanDerWaalsContact C-N 3.34Å; N43-S45 PolarHBondContact O-N 3.09Å; N43-S45 PolarHBondContact OD1-N 2.98Å; N43-S45 PolarHBondContact OD1-OG 3.01Å; N43-Y46 PolarHBondContact N-O 2.81Å; N43-Y46 WeakPolarHBondContact OD1-CB 3.48Å; N43-Y46 PolarHBondContact OD1-N 2.89Å; N43-Y46 PolarHBondContact OD1-O 2.88Å; N43-W202 WeakPolarHBondContact O-CH2 3.41Å
44	V	93.4	Very high	88.7	Confident	138 Å²	138	46.5 Å²	46.5	84%	0.836	24%	0.236	S	C	*	.	S	Bend	trans	-74.3	-17.3	-178	-60.2	0	0	0	0	115.1
45	S	95	Very high	90.4	Very high	40 Å²	40	41.6 Å²	41.6	28%	0.28	21%	0.213	S	C	.	.	S	Bend	trans	-130	-6.5	-173.1	57.6	0	0	0	0	114.5	N43 R60	N43-S45 VanDerWaalsContact C-N 3.34Å; N43-S45 PolarHBondContact O-N 3.09Å; N43-S45 PolarHBondContact OD1-N 2.98Å; N43-S45 PolarHBondContact OD1-OG 3.01Å; S45-R60 WeakPolarHBondContact O-CB 3.26Å; S45-R60 WeakPolarHBondContact O-CG 3.36Å; S45-R60 PolarHBondContact O-N 2.86Å
46	Y	95.4	Very high	91.9	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	137.3	-172	-171.5	-89.2	0	0	0	111.6	F41 E42 N43 R57 I58 R59 D261	F41-Y46 AromaticContact CD1-CD1 3.7Å; F41-Y46 HydrophobicContact CD1-CD1 3.7Å; F41-Y46 HydrophobicContact CD1-CE1 4.24Å; F41-Y46 AromaticContact CE1-CD1 3.97Å; F41-Y46 HydrophobicContact CE1-CD1 3.97Å; E42-Y46 WeakPolarHBondContact CA-O 3.31Å; N43-Y46 PolarHBondContact N-O 2.81Å; N43-Y46 WeakPolarHBondContact OD1-CB 3.48Å; N43-Y46 PolarHBondContact OD1-N 2.89Å; N43-Y46 PolarHBondContact OD1-O 2.88Å; Y46-R57 HydrophobicContact CE2-CG 3.84Å; Y46-R57 VanDerWaalsContact OH-CD 3.3Å; Y46-R57 WeakPolarHBondContact OH-CD 3.44Å; Y46-R57 PolarHBondContact OH-NE 2.9Å; Y46-I58 VanDerWaalsContact CA-O 3.32Å; Y46-I58 WeakPolarHBondContact CA-O 3.31Å; Y46-R59 HydrophobicContact CD2-CG 3.87Å; Y46-R59 HydrophobicContact CE2-CG 3.9Å; Y46-D261 WeakPolarHBondContact CE1-OD1 3.28Å; Y46-D261 VanDerWaalsContact CZ-OD1 3.28Å; Y46-D261 PolarHBondContact OH-OD1 2.74Å; Y46-D261 PolarHBondContact OH-OD2 2.77Å; Y46-D261 VanDerWaalsContact OH-OD2 3.08Å
47	R	95.6	Very high	92.9	Very high	19 Å²	19	30.4 Å²	30.4	7%	0.072	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	168.7	177.6	-176.8	167.1	128.7	-16.5	109.5	D37 V39 F41 E42 R57 I58 W202	D37-R47 IonicContact OD1-NH2 2.73Å; D37-R47 IonicContact OD2-NH2 3.2Å; D37-R47 PolarHBondContact OD2-NH2 3.25Å; V39-R47 HydrophobicContact CG1-CG 4.37Å; V39-R47 VanDerWaalsContact CG2-CZ 3.47Å; V39-R47 VanDerWaalsContact CG2-NH2 3.32Å; F41-R47 CarbonylContact O-C 3.46Å; F41-R47 VanDerWaalsContact O-CA 3.31Å; F41-R47 WeakPolarHBondContact O-CA 3.29Å; E42-R47 HydrophobicContact CB-CG 4.43Å; E42-R47 HydrophobicContact CG-CB 4.23Å; E42-R47 HydrophobicContact CG-CG 4.34Å; E42-R47 VanDerWaalsContact OE2-CD 3.3Å; E42-R47 WeakPolarHBondContact OE2-CD 3.34Å; E42-R47 IonicContact OE2-CZ 3.14Å; E42-R47 IonicContact OE2-NE 2.75Å; E42-R47 IonicContact OE2-NH1 2.63Å; E42-R47 PolarHBondContact OE2-NH1 3.47Å; R47-R57 CarbonylContact O-C 3.53Å; R47-R57 WeakPolarHBondContact O-CA 3.37Å; R47-I58 HydrophobicContact CB-CB 4.18Å; R47-I58 HydrophobicContact CB-CD1 4.42Å; R47-I58 HydrophobicContact CB-CG1 4.37Å; R47-I58 PolarHBondContact N-O 3.23Å; R47-I58 PolarHBondContact O-N 3.02Å; R47-W202 HydrophobicContact CB-CH2 4.13Å; R47-W202 HydrophobicContact CB-CZ2 3.72Å
48	Y	95.4	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.6	166.8	-179.7	-102.9	0	0	0	109.4	I40 F41 I50 S55 R57 I247 K258 D261	I40-Y48 HydrophobicContact CB-CD1 3.81Å; I40-Y48 HydrophobicContact CB-CE1 4.38Å; I40-Y48 HydrophobicContact CG1-CD1 3.9Å; I40-Y48 HydrophobicContact CG1-CE1 4.06Å; I40-Y48 HydrophobicContact CG2-CD1 4.21Å; I40-Y48 PolarHBondContact N-O 2.92Å; F41-Y48 PolarHBondContact N-O 3.32Å; F41-Y48 VanDerWaalsContact N-O 3.13Å; F41-Y48 PolarHBondContact O-N 2.91Å; Y48-I50 HydrophobicContact CE1-CD1 4.31Å; Y48-I50 HydrophobicContact CE1-CG1 4.03Å; Y48-S55 VanDerWaalsContact OH-CB 3.3Å; Y48-S55 WeakPolarHBondContact OH-CB 3.31Å; Y48-R57 HydrophobicContact CD2-CB 4.08Å; Y48-R57 HydrophobicContact CD2-CG 4.49Å; Y48-I247 WeakPolarHBondContact OH-CD1 3.39Å; Y48-K258 WeakPolarHBondContact OH-CE 3.37Å; Y48-D261 HydrophobicContact CD1-CB 3.52Å; Y48-D261 HydrophobicContact CD2-CB 4.44Å; Y48-D261 HydrophobicContact CE1-CB 3.87Å; Y48-D261 HydrophobicContact CG-CB 3.85Å
49	S	95.1	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.4	-174.9	40.9	0	0	0	0	111.1	D37 K38 H51 S55 M56	D37-S49 WeakPolarHBondContact OD1-CB 3.14Å; K38-S49 CarbonylContact O-C 3.56Å; K38-S49 VanDerWaalsContact O-CA 3.27Å; K38-S49 WeakPolarHBondContact O-CA 3.33Å; S49-H51 WeakPolarHBondContact CB-NE2 3.42Å; S49-H51 PolarHBondContact OG-NE2 3.08Å; S49-S55 CarbonylContact O-C 3.55Å; S49-S55 WeakPolarHBondContact O-CA 3.48Å; S49-M56 PolarHBondContact N-O 2.86Å; S49-M56 PolarHBondContact O-N 3.19Å; S49-M56 WeakPolarHBondContact OG-CE 3.39Å; S49-M56 PolarHBondContact OG-O 2.8Å
50	I	92.7	Very high	93.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.9	-179.6	-65.5	173.1	0	0	0	108.9	Y36 K38 I40 Y48 I214 C240 A243 I247	Y36-I50 HydrophobicContact CE1-CG2 4.13Å; K38-I50 HydrophobicContact CB-CB 4.44Å; K38-I50 PolarHBondContact N-O 3.35Å; K38-I50 PolarHBondContact O-N 3.09Å; I40-I50 HydrophobicContact CD1-CD1 3.89Å; I40-I50 HydrophobicContact CD1-CG1 4.19Å; I40-I50 HydrophobicContact CG1-CD1 3.83Å; I40-I50 HydrophobicContact CG1-CG1 3.87Å; Y48-I50 HydrophobicContact CE1-CD1 4.31Å; Y48-I50 HydrophobicContact CE1-CG1 4.03Å; I50-I214 HydrophobicContact CG2-CD1 3.76Å; I50-C240 HydrophobicContact CD1-CB 4.02Å; I50-A243 HydrophobicContact CD1-CB 4.1Å; I50-I247 HydrophobicContact CD1-CD1 3.85Å; I50-I247 HydrophobicContact CD1-CG2 4.17Å
51	H	91.8	Very high	93.9	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.8	179.3	-54.4	-98.6	0	0	0	110.9	Y36 D37 S49 K53 Y54 I196	Y36-H51 VanDerWaalsContact O-CA 3.25Å; Y36-H51 WeakPolarHBondContact O-CA 3.31Å; D37-H51 IonicContact OD1-CE1 3.93Å; D37-H51 PolarHBondContact OD1-CE1 2.6Å; D37-H51 VanDerWaalsContact OD1-CE1 3.28Å; D37-H51 IonicContact OD1-NE2 2.75Å; D37-H51 IonicContact OD2-CE1 2.78Å; S49-H51 WeakPolarHBondContact CB-NE2 3.42Å; S49-H51 PolarHBondContact OG-NE2 3.08Å; H51-K53 VanDerWaalsContact C-N 3.26Å; H51-K53 PolarHBondContact O-N 3.01Å; H51-Y54 CarbonylContact C-O 3.53Å; H51-Y54 VanDerWaalsContact CA-O 3.32Å; H51-Y54 WeakPolarHBondContact CA-O 3.46Å; H51-Y54 VanDerWaalsContact CB-O 3.28Å; H51-Y54 WeakPolarHBondContact CB-O 3.32Å; H51-Y54 PolarHBondContact N-O 2.93Å; H51-Y54 PolarHBondContact O-N 2.96Å; H51-Y54 VanDerWaalsContact O-N 3.15Å; H51-Y54 VanDerWaalsContact O-O 3.12Å; H51-I196 HydrophobicContact CB-CD1 3.59Å; H51-I196 HydrophobicContact CB-CG1 3.85Å
52	N	85.8	Confident	94	Very high	16 Å²	16	31.3 Å²	31.3	9%	0.086	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.9	-44.9	-171.7	179	-17.5	0	0	0	115.6	L33 P194	L33-N52 PolarHBondContact O-ND2 3.22Å; N52-P194 HydrophobicContact CB-CB 4.13Å
53	K	90	Very high	94	Very high	24 Å²	24	34.4 Å²	34.4	10%	0.104	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	3.3	178.4	-68	-71.8	155.1	-69.8	0	114.7	H51 Y89 V185 I214	H51-K53 VanDerWaalsContact C-N 3.26Å; H51-K53 PolarHBondContact O-N 3.01Å; K53-Y89 HydrophobicContact CB-CD1 3.78Å; K53-Y89 HydrophobicContact CB-CE1 3.89Å; K53-Y89 HydrophobicContact CG-CD1 3.79Å; K53-Y89 HydrophobicContact CG-CE1 4.17Å; K53-V185 HydrophobicContact CG-CG2 4.2Å; K53-I214 PolarHBondContact O-N 3Å
54	Y	93.5	Very high	93.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	140.1	-173.7	-73.1	-88.9	0	0	0	112	H51 Y88 Y89 I196 F211 E212 V213	H51-Y54 CarbonylContact C-O 3.53Å; H51-Y54 VanDerWaalsContact CA-O 3.32Å; H51-Y54 WeakPolarHBondContact CA-O 3.46Å; H51-Y54 VanDerWaalsContact CB-O 3.28Å; H51-Y54 WeakPolarHBondContact CB-O 3.32Å; H51-Y54 PolarHBondContact N-O 2.93Å; H51-Y54 PolarHBondContact O-N 2.96Å; H51-Y54 VanDerWaalsContact O-N 3.15Å; H51-Y54 VanDerWaalsContact O-O 3.12Å; Y54-Y88 WeakPolarHBondContact OH-CD2 3.47Å; Y54-Y89 HydrophobicContact CD2-CE1 4.32Å; Y54-Y89 HydrophobicContact CD2-CE2 4.16Å; Y54-Y89 HydrophobicContact CE2-CD1 4.35Å; Y54-Y89 AromaticContact CE2-CD2 3.7Å; Y54-Y89 HydrophobicContact CE2-CD2 3.7Å; Y54-Y89 HydrophobicContact CE2-CE1 4.26Å; Y54-Y89 AromaticContact CE2-CE2 3.64Å; Y54-Y89 HydrophobicContact CE2-CE2 3.64Å; Y54-Y89 HydrophobicContact CE2-CG 4.08Å; Y54-Y89 AromaticContact CE2-CZ 3.94Å; Y54-Y89 PolarHBondContact OH-N 2.8Å; Y54-I196 HydrophobicContact CD2-CD1 4.21Å; Y54-I196 HydrophobicContact CG-CD1 4.44Å; Y54-F211 HydrophobicContact CD1-CB 3.88Å; Y54-E212 CarbonylContact C-O 3.53Å; Y54-E212 VanDerWaalsContact CA-O 3.25Å; Y54-E212 WeakPolarHBondContact CA-O 3.33Å; Y54-V213 HydrophobicContact CD1-CG2 4.3Å; Y54-V213 HydrophobicContact CE1-CB 4.33Å; Y54-V213 HydrophobicContact CE1-CG2 3.56Å
55	S	93.9	Very high	93.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.5	159.4	32.4	0	0	0	0	109.2	Y48 S49 F211 E212 K258	Y48-S55 VanDerWaalsContact OH-CB 3.3Å; Y48-S55 WeakPolarHBondContact OH-CB 3.31Å; S49-S55 CarbonylContact O-C 3.55Å; S49-S55 WeakPolarHBondContact O-CA 3.48Å; S55-F211 WeakPolarHBondContact O-CA 3.48Å; S55-E212 PolarHBondContact N-O 2.87Å; S55-E212 PolarHBondContact O-N 2.76Å; S55-E212 PolarHBondContact OG-O 3.47Å; S55-K258 WeakPolarHBondContact OG-CE 3.15Å; S55-K258 PolarHBondContact OG-NZ 2.76Å
56	M	96.2	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.9	173.3	178.3	177.5	59.8	0	0	110	S49 I58 I196 V198 V209 E210 F211	S49-M56 PolarHBondContact N-O 2.86Å; S49-M56 PolarHBondContact O-N 3.19Å; S49-M56 WeakPolarHBondContact OG-CE 3.39Å; S49-M56 PolarHBondContact OG-O 2.8Å; M56-I58 HydrophobicContact CE-CD1 4.18Å; M56-I58 HydrophobicContact CG-CG1 4.17Å; M56-I58 HydrophobicContact SD-CD1 4.18Å; M56-I58 HydrophobicContact SD-CG1 4.25Å; M56-I196 HydrophobicContact SD-CG2 4.45Å; M56-V198 HydrophobicContact SD-CG2 4.17Å; M56-V209 HydrophobicContact CG-CG1 3.67Å; M56-V209 HydrophobicContact SD-CG1 3.88Å; M56-E210 CarbonylContact C-O 3.56Å; M56-E210 WeakPolarHBondContact CA-O 3.38Å; M56-F211 HydrophobicContact CB-CD1 3.94Å; M56-F211 HydrophobicContact CB-CE1 3.86Å; M56-F211 HydrophobicContact CG-CD1 4.11Å; M56-F211 HydrophobicContact CG-CE1 3.66Å; M56-F211 HydrophobicContact CG-CZ 4.11Å; M56-F211 HydrophobicContact SD-CE1 3.59Å; M56-F211 VanDerWaalsContact SD-CE1 3.59Å; M56-F211 HydrophobicContact SD-CZ 3.8Å
57	R	96.1	Very high	92.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.1	168.7	-173.8	-179.3	-70.2	106.2	6.4	109.6	Y46 R47 Y48 R59 V209 E210 E212 D261	Y46-R57 HydrophobicContact CE2-CG 3.84Å; Y46-R57 VanDerWaalsContact OH-CD 3.3Å; Y46-R57 WeakPolarHBondContact OH-CD 3.44Å; Y46-R57 PolarHBondContact OH-NE 2.9Å; R47-R57 CarbonylContact O-C 3.53Å; R47-R57 WeakPolarHBondContact O-CA 3.37Å; Y48-R57 HydrophobicContact CD2-CB 4.08Å; Y48-R57 HydrophobicContact CD2-CG 4.49Å; R57-R59 HydrophobicContact CG-CG 4.15Å; R57-V209 CarbonylContact O-C 3.57Å; R57-V209 VanDerWaalsContact O-CA 3.31Å; R57-V209 WeakPolarHBondContact O-CA 3.43Å; R57-E210 HydrophobicContact CB-CB 4.41Å; R57-E210 PolarHBondContact N-O 3.5Å; R57-E210 PolarHBondContact O-N 3.33Å; R57-E212 IonicContact CZ-OE1 2.65Å; R57-E212 IonicContact NH1-OE1 3.8Å; R57-E212 PolarHBondContact NH1-OE1 3.4Å; R57-E212 IonicContact NH2-OE1 3.67Å; R57-E212 PolarHBondContact NH2-OE1 3.12Å; R57-D261 IonicContact CZ-OD2 2.69Å; R57-D261 IonicContact NE-OD2 2.83Å; R57-D261 PolarHBondContact NE-OD2 2.9Å; R57-D261 IonicContact NH2-OD2 3.36Å; R57-D261 PolarHBondContact NH2-OD2 2.59Å
58	I	97.4	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.3	174.4	-50.9	-175.6	0	0	0	108.6	Y46 R47 M56 V198 W202 T207 L208 V209	Y46-I58 VanDerWaalsContact CA-O 3.32Å; Y46-I58 WeakPolarHBondContact CA-O 3.31Å; R47-I58 HydrophobicContact CB-CB 4.18Å; R47-I58 HydrophobicContact CB-CD1 4.42Å; R47-I58 HydrophobicContact CB-CG1 4.37Å; R47-I58 PolarHBondContact N-O 3.23Å; R47-I58 PolarHBondContact O-N 3.02Å; M56-I58 HydrophobicContact CE-CD1 4.18Å; M56-I58 HydrophobicContact CG-CG1 4.17Å; M56-I58 HydrophobicContact SD-CD1 4.18Å; M56-I58 HydrophobicContact SD-CG1 4.25Å; I58-V198 HydrophobicContact CD1-CG1 4.33Å; I58-W202 HydrophobicContact CB-CD2 4.4Å; I58-W202 HydrophobicContact CB-CE3 4.35Å; I58-W202 HydrophobicContact CD1-CB 4.11Å; I58-W202 HydrophobicContact CD1-CD2 4.1Å; I58-W202 HydrophobicContact CD1-CG 3.69Å; I58-W202 HydrophobicContact CG2-CB 3.97Å; I58-W202 HydrophobicContact CG2-CD2 3.73Å; I58-W202 HydrophobicContact CG2-CE3 3.5Å; I58-W202 VanDerWaalsContact CG2-CE3 3.5Å; I58-W202 HydrophobicContact CG2-CG 3.94Å; I58-W202 HydrophobicContact CG2-CZ3 4.25Å; I58-T207 HydrophobicContact CG2-CG2 3.72Å; I58-L208 WeakPolarHBondContact CA-O 3.39Å; I58-V209 HydrophobicContact CB-CG2 4.49Å; I58-V209 HydrophobicContact CG1-CG1 4.19Å; I58-V209 HydrophobicContact CG1-CG2 4.11Å; I58-V209 HydrophobicContact CG2-CG2 4.13Å
59	R	96.9	Very high	91.9	Very high	46 Å²	46	43.1 Å²	43.1	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.8	178.6	-57.6	-166.2	-93.2	150.8	-21.9	110.5	Y46 R57 Q62 T207 L208 E210	Y46-R59 HydrophobicContact CD2-CG 3.87Å; Y46-R59 HydrophobicContact CE2-CG 3.9Å; R57-R59 HydrophobicContact CG-CG 4.15Å; R59-Q62 HydrophobicContact CB-CG 3.53Å; R59-Q62 WeakPolarHBondContact O-CG 3.37Å; R59-T207 WeakPolarHBondContact O-CA 3.02Å; R59-L208 PolarHBondContact N-O 2.82Å; R59-L208 PolarHBondContact O-N 2.7Å; R59-E210 IonicContact CZ-OE2 3.38Å; R59-E210 IonicContact NE-OE2 2.86Å; R59-E210 PolarHBondContact NE-OE2 3.38Å; R59-E210 IonicContact NH2-OE1 3.87Å; R59-E210 PolarHBondContact NH2-OE1 2.68Å; R59-E210 VanDerWaalsContact NH2-OE1 3.14Å; R59-E210 IonicContact NH2-OE2 2.77Å; R59-E210 PolarHBondContact NH2-OE2 2.94Å
60	R	95.8	Very high	91.7	Very high	40 Å²	40	50.7 Å²	50.7	15%	0.151	26%	0.262	C	S	.	.	S	Bend	trans	-84.9	161.8	174.9	-65.8	-70.3	-59.2	-178.3	3	111.9	S45 Q62 W202 K204 G206 T207	S45-R60 WeakPolarHBondContact O-CB 3.26Å; S45-R60 WeakPolarHBondContact O-CG 3.36Å; S45-R60 PolarHBondContact O-N 2.86Å; R60-Q62 PolarHBondContact O-N 3.2Å; R60-Q62 PolarHBondContact O-NE2 3.4Å; R60-W202 HydrophobicContact CG-CE3 3.75Å; R60-W202 HydrophobicContact CG-CZ3 3.64Å; R60-W202 PolarHBondContact NH1-O 3.39Å; R60-K204 VanDerWaalsContact NH1-CB 3.26Å; R60-K204 PolarHBondContact NH1-O 3.42Å; R60-G206 CarbonylContact C-O 3.53Å; R60-T207 WeakPolarHBondContact CD-OG1 3.38Å; R60-T207 PolarHBondContact NH1-OG1 3.41Å
61	H	93.8	Very high	91.9	Very high	148 Å²	148	52.5 Å²	52.5	69%	0.685	27%	0.27	S	S	*	.	S	Bend	trans	54	33.6	174.3	-50.3	-73.4	0	0	0	113.7	G206	H61-G206 CarbonylContact C-O 3.54Å; H61-G206 WeakPolarHBondContact CA-O 3.28Å; H61-G206 PolarHBondContact N-O 2.83Å
62	Q	94.2	Very high	92.2	Very high	34 Å²	34	58.4 Å²	58.4	16%	0.159	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-85.7	143.4	177.1	-54.7	-62	-88.1	0	0	110.1	R59 R60 Y164 G206 L208	R59-Q62 HydrophobicContact CB-CG 3.53Å; R59-Q62 WeakPolarHBondContact O-CG 3.37Å; R60-Q62 PolarHBondContact O-N 3.2Å; R60-Q62 PolarHBondContact O-NE2 3.4Å; Q62-Y164 HydrophobicContact CB-CE2 4.29Å; Q62-Y164 WeakPolarHBondContact O-CE2 3.37Å; Q62-Y164 PolarHBondContact O-OH 3.18Å; Q62-G206 PolarHBondContact N-O 2.9Å; Q62-L208 HydrophobicContact CB-CB 4.17Å; Q62-L208 HydrophobicContact CG-CB 3.93Å
63	L	92	Very high	92.7	Very high	141 Å²	141	63.3 Å²	63.3	74%	0.738	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-64.7	154.2	170.7	-59.8	177.1	0	0	0	110.6
64	H	87	Confident	93.1	Very high	49 Å²	49	62.3 Å²	62.3	23%	0.227	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.9	131.1	174.7	177	109.1	0	0	0	109.7	V66 R135 Y164 E166	H64-V66 WeakPolarHBondContact O-CG2 3.49Å; H64-V66 PolarHBondContact O-N 3.37Å; H64-R135 PolarHBondContact NE2-NH2 3.27Å; H64-Y164 HydrophobicContact CB-CD1 4.5Å; H64-Y164 HydrophobicContact CB-CE1 3.74Å; H64-Y164 PolarHBondContact N-OH 2.89Å; H64-Y164 VanDerWaalsContact N-OH 3.17Å; H64-Y164 AromaticContact ND1-CD1 3.98Å; H64-Y164 AromaticContact ND1-CE1 3.84Å; H64-E166 IonicContact CE1-OE2 3.28Å; H64-E166 PolarHBondContact CE1-OE2 3.28Å; H64-E166 IonicContact ND1-OE2 2.7Å; H64-E166 PolarHBondContact ND1-OE2 3.14Å
65	P	86.3	Confident	93.1	Very high	29 Å²	29	68 Å²	68	19%	0.188	35%	0.351	C	S	.	.			trans	-70	98.6	175.1	29	-33	0	0	0	109.2	V67 L154 Y164	P65-V67 VanDerWaalsContact C-N 3.35Å; P65-V67 PolarHBondContact O-N 3.16Å; P65-L154 HydrophobicContact CB-CD1 3.92Å; P65-L154 HydrophobicContact CG-CD1 4Å; P65-Y164 HydrophobicContact CG-CG 4.19Å
66	V	82.9	Confident	93.2	Very high	115 Å²	115	71.6 Å²	71.6	70%	0.697	38%	0.376	S	S	*	.			trans	-69.6	87.4	-172.6	-175.1	0	0	0	0	111.2	H64	H64-V66 WeakPolarHBondContact O-CG2 3.49Å; H64-V66 PolarHBondContact O-N 3.37Å
67	V	89.7	Confident	93.1	Very high	23 Å²	23	77.1 Å²	77.1	14%	0.139	40%	0.402	C	S	.	.			trans	-83.4	118.6	166.8	-178.6	0	0	0	0	109.2	P65 F71 L126 L131 A133 R135 L154	P65-V67 VanDerWaalsContact C-N 3.35Å; P65-V67 PolarHBondContact O-N 3.16Å; V67-F71 HydrophobicContact CB-CZ 4.31Å; V67-F71 HydrophobicContact CG1-CE2 4.19Å; V67-F71 HydrophobicContact CG1-CZ 3.9Å; V67-L126 HydrophobicContact CG1-CD2 3.57Å; V67-L131 HydrophobicContact CG1-CD1 4.13Å; V67-L131 HydrophobicContact CG2-CD1 4.45Å; V67-L131 HydrophobicContact CG2-CD2 4.46Å; V67-A133 HydrophobicContact CG1-CB 4.03Å; V67-A133 HydrophobicContact CG2-CB 4.42Å; V67-R135 PolarHBondContact O-NH2 3.26Å; V67-R135 VanDerWaalsContact O-NH2 3.09Å; V67-L154 HydrophobicContact CG2-CD1 4.14Å; V67-L154 HydrophobicContact CG2-CD2 3.72Å
68	K	88.8	Confident	93.2	Very high	186 Å²	186	80.5 Å²	80.5	81%	0.809	42%	0.418	S	S	*	.			trans	-91.1	150.8	167.9	-61.8	178.1	-177.7	174.3	0	109.5	L126	K68-L126 WeakPolarHBondContact O-CD2 3.3Å
69	G	89.7	Confident	93.2	Very high	44 Å²	44	84.3 Å²	84.3	45%	0.454	44%	0.441	S	S	.	.	S	Bend	trans	147.9	165.8	178.1	0	0	0	0	0	110.6	F71	G69-F71 WeakPolarHBondContact O-CD2 3.45Å; G69-F71 PolarHBondContact O-N 2.85Å
70	D	92.4	Very high	93.3	Very high	159 Å²	159	82.3 Å²	82.3	85%	0.85	43%	0.434	S	S	*	.			trans	-84.9	103.3	176.4	-68.2	-37.1	0	0	0	109.1
71	F	96.9	Very high	93.4	Very high	40 Å²	40	86.4 Å²	86.4	18%	0.175	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-81.6	128.9	-179.1	-80.7	-103.5	0	0	0	111.4	V67 G69 Q124 I125 L126 A133 R135	V67-F71 HydrophobicContact CB-CZ 4.31Å; V67-F71 HydrophobicContact CG1-CE2 4.19Å; V67-F71 HydrophobicContact CG1-CZ 3.9Å; G69-F71 WeakPolarHBondContact O-CD2 3.45Å; G69-F71 PolarHBondContact O-N 2.85Å; F71-Q124 HydrophobicContact CB-CB 4.16Å; F71-Q124 HydrophobicContact CD1-CB 4.01Å; F71-I125 CarbonylContact C-O 3.56Å; F71-I125 WeakPolarHBondContact CA-O 3.36Å; F71-L126 HydrophobicContact CD1-CB 3.82Å; F71-L126 HydrophobicContact CD2-CB 4.14Å; F71-L126 HydrophobicContact CD2-CD2 4.5Å; F71-L126 HydrophobicContact CE1-CB 3.62Å; F71-L126 HydrophobicContact CE2-CB 3.93Å; F71-L126 HydrophobicContact CE2-CD2 3.84Å; F71-L126 HydrophobicContact CE2-CG 4.46Å; F71-L126 HydrophobicContact CG-CB 4.07Å; F71-L126 HydrophobicContact CZ-CB 3.68Å; F71-L126 HydrophobicContact CZ-CD2 3.99Å; F71-L126 HydrophobicContact CZ-CG 4.49Å; F71-A133 HydrophobicContact CE1-CB 3.82Å; F71-A133 HydrophobicContact CZ-CB 3.79Å; F71-R135 HydrophobicContact CE1-CG 4.2Å
72	E	97	Very high	93.5	Very high	132 Å²	132	80.2 Å²	80.2	62%	0.617	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.2	174.9	-59.8	-173.3	158.1	0	0	111.1	Q124 I125	E72-Q124 CarbonylContact O-C 3.52Å; E72-Q124 VanDerWaalsContact O-CA 3.23Å; E72-Q124 WeakPolarHBondContact O-CA 3.33Å; E72-I125 HydrophobicContact CB-CG2 4.06Å; E72-I125 PolarHBondContact N-O 3.2Å; E72-I125 PolarHBondContact O-N 3.29Å
73	E	97.1	Very high	93.7	Very high	119 Å²	119	83.6 Å²	83.6	56%	0.556	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	127	177.1	-174.8	175.6	-160.9	0	0	111.7	T75 Q122	E73-T75 HydrophobicContact CG-CG2 4.34Å; E73-Q122 PolarHBondContact OE1-NE2 2.81Å
74	V	96.9	Very high	93.9	Very high	3 Å²	3	77.9 Å²	77.9	2%	0.018	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.1	-177	-177.7	0	0	0	0	109	S76 Q78 I98 P100 L123 I125	V74-S76 VanDerWaalsContact CG1-O 3.26Å; V74-S76 WeakPolarHBondContact CG1-O 3.13Å; V74-Q78 HydrophobicContact CG1-CB 3.98Å; V74-I98 HydrophobicContact CG1-CD1 4.24Å; V74-I98 HydrophobicContact CG1-CG1 4.36Å; V74-I98 HydrophobicContact CG2-CD1 3.99Å; V74-P100 WeakPolarHBondContact O-CG 3.49Å; V74-L123 HydrophobicContact CB-CB 4.11Å; V74-L123 HydrophobicContact CB-CD2 4.05Å; V74-L123 HydrophobicContact CB-CG 3.89Å; V74-L123 HydrophobicContact CG1-CD2 3.98Å; V74-L123 HydrophobicContact CG1-CG 4.39Å; V74-L123 HydrophobicContact CG2-CG 4.27Å; V74-L123 PolarHBondContact N-O 2.83Å; V74-I125 HydrophobicContact CG2-CB 4.17Å; V74-I125 HydrophobicContact CG2-CG2 3.57Å
75	T	94.5	Very high	94.1	Very high	119 Å²	119	79.5 Å²	79.5	73%	0.73	43%	0.431	S	S	*	.			trans	-103.4	-6.3	-171.1	53.1	0	0	0	0	114.6	E73	E73-T75 HydrophobicContact CG-CG2 4.34Å
76	S	94.8	Very high	94.6	Very high	76 Å²	76	78.3 Å²	78.3	53%	0.531	42%	0.422	S	S	.	.	S	Bend	trans	-157.6	-178.7	178.3	56.4	0	0	0	0	109.9	V74 Q78	V74-S76 VanDerWaalsContact CG1-O 3.26Å; V74-S76 WeakPolarHBondContact CG1-O 3.13Å; S76-Q78 PolarHBondContact O-N 2.91Å
77	E	95.9	Very high	95	Very high	117 Å²	117	76 Å²	76	55%	0.547	40%	0.404	S	S	.	.			trans	-61.7	127.3	176.4	-170.7	-178.6	172.4	0	0	111	N97 I98	E77-N97 HydrophobicContact CG-CB 4.22Å; E77-N97 WeakPolarHBondContact OE1-CB 3.39Å; E77-N97 PolarHBondContact OE1-ND2 2.81Å; E77-I98 WeakPolarHBondContact CA-O 3.49Å
78	Q	96.7	Very high	95.3	Very high	71 Å²	71	74.9 Å²	74.9	33%	0.332	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.4	-175.3	176.2	171.3	-19	0	0	110.9	V74 S76 N97 I98	V74-Q78 HydrophobicContact CG1-CB 3.98Å; S76-Q78 PolarHBondContact O-N 2.91Å; Q78-N97 CarbonylContact O-C 3.59Å; Q78-N97 WeakPolarHBondContact O-CA 3.43Å; Q78-I98 HydrophobicContact CB-CG1 4.17Å; Q78-I98 PolarHBondContact N-O 2.89Å; Q78-I98 PolarHBondContact O-N 3.01Å
79	T	98.1	Very high	95.5	Very high	79 Å²	79	66.5 Å²	66.5	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.3	167.6	-53.4	0	0	0	0	110.1	H95 F96 N97	T79-H95 HydrophobicContact CG2-CB 4.04Å; T79-F96 WeakPolarHBondContact CA-O 3.49Å; T79-N97 WeakPolarHBondContact CA-OD1 3.22Å; T79-N97 WeakPolarHBondContact CB-OD1 3.07Å; T79-N97 PolarHBondContact OG1-OD1 2.85Å
80	V	98	Very high	95.4	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.03	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	176.6	-175.9	0	0	0	0	108.5	H95 F96 I98 I125	V80-H95 WeakPolarHBondContact O-CA 3.5Å; V80-F96 HydrophobicContact CB-CD1 4.15Å; V80-F96 HydrophobicContact CB-CE1 3.7Å; V80-F96 HydrophobicContact CB-CE2 4.15Å; V80-F96 HydrophobicContact CB-CZ 3.72Å; V80-F96 HydrophobicContact CG1-CD1 4.49Å; V80-F96 HydrophobicContact CG1-CE1 3.64Å; V80-F96 HydrophobicContact CG1-CZ 3.7Å; V80-F96 HydrophobicContact CG2-CE2 4.25Å; V80-F96 HydrophobicContact CG2-CZ 4.15Å; V80-F96 PolarHBondContact N-O 2.75Å; V80-F96 PolarHBondContact O-N 3.16Å; V80-I98 HydrophobicContact CG2-CD1 3.69Å; V80-I98 HydrophobicContact CG2-CG1 3.87Å; V80-I98 HydrophobicContact CG2-CG2 4.15Å; V80-I125 HydrophobicContact CB-CD1 4.4Å; V80-I125 HydrophobicContact CG1-CD1 3.84Å; V80-I125 HydrophobicContact CG2-CD1 3.58Å
81	I	97.9	Very high	95.3	Very high	126 Å²	126	63.7 Å²	63.7	65%	0.646	34%	0.335	S	S	*	.			trans	-100.3	116.3	166.5	-60.1	175.8	0	0	0	106.5	N127	I81-N127 PolarHBondContact O-ND2 3.11Å
82	P	97.7	Very high	95.2	Very high	17 Å²	17	66.5 Å²	66.5	11%	0.11	35%	0.349	C	S	.	.			trans	-58.9	144.6	176.4	-23.7	34	0	0	0	112.5	F84 F86 D94 F96 I132	P82-F84 WeakPolarHBondContact CB-O 3.28Å; P82-F84 PolarHBondContact O-N 2.83Å; P82-F86 HydrophobicContact CB-CD1 4.48Å; P82-F86 HydrophobicContact CB-CE1 4.17Å; P82-F86 HydrophobicContact CG-CD1 4.38Å; P82-F86 HydrophobicContact CG-CE1 3.72Å; P82-D94 VanDerWaalsContact CD-O 3.31Å; P82-D94 WeakPolarHBondContact CD-O 3.08Å; P82-F96 HydrophobicContact CG-CD1 4.14Å; P82-F96 HydrophobicContact CG-CE1 4.02Å; P82-I132 HydrophobicContact CB-CD1 4.08Å; P82-I132 HydrophobicContact CG-CD1 4.4Å
83	K	97	Very high	95.2	Very high	105 Å²	105	60.4 Å²	60.4	46%	0.457	32%	0.32	S	S	.	.	S	Bend	trans	-74.3	-10.2	165.5	-75.2	179.4	-176.5	157.4	0	113.4	N127 E128 E129	K83-N127 WeakPolarHBondContact CD-O 3.2Å; K83-N127 WeakPolarHBondContact CE-O 3.34Å; K83-N127 PolarHBondContact N-OD1 3.01Å; K83-N127 PolarHBondContact NZ-O 3.26Å; K83-E128 IonicContact NZ-OE1 2.83Å; K83-E128 PolarHBondContact NZ-OE1 2.81Å; K83-E128 IonicContact NZ-OE2 2.69Å; K83-E128 PolarHBondContact NZ-OE2 2.96Å; K83-E129 HydrophobicContact CB-CG 4.01Å; K83-E129 HydrophobicContact CD-CG 4.2Å
84	F	96.3	Very high	95.1	Very high	22 Å²	22	59.1 Å²	59.1	10%	0.096	32%	0.317	C	S	.	.	S	Bend	trans	-133.9	152.2	179.8	56.1	-97.8	0	0	0	112.6	P82 F86 E128 E129 I132 I155 P157	P82-F84 WeakPolarHBondContact CB-O 3.28Å; P82-F84 PolarHBondContact O-N 2.83Å; F84-F86 HydrophobicContact CD2-CB 4.16Å; F84-F86 AromaticContact CD2-CD1 3.81Å; F84-F86 HydrophobicContact CD2-CD1 3.81Å; F84-F86 HydrophobicContact CD2-CG 4.4Å; F84-F86 HydrophobicContact CE2-CB 4.09Å; F84-F86 AromaticContact CE2-CD1 3.44Å; F84-F86 HydrophobicContact CE2-CD1 3.44Å; F84-F86 VanDerWaalsContact CE2-CD1 3.44Å; F84-F86 HydrophobicContact CE2-CE1 4.11Å; F84-F86 HydrophobicContact CE2-CG 4Å; F84-F86 HydrophobicContact CZ-CD1 4.48Å; F84-E128 VanDerWaalsContact CD1-O 3.26Å; F84-E128 WeakPolarHBondContact CD1-O 3.44Å; F84-E128 VanDerWaalsContact CE1-O 3.31Å; F84-E128 WeakPolarHBondContact CE1-O 3.34Å; F84-E129 WeakPolarHBondContact CD1-O 3.48Å; F84-I132 HydrophobicContact CE1-CD1 4.07Å; F84-I132 HydrophobicContact CE1-CG1 3.84Å; F84-I132 HydrophobicContact CZ-CD1 3.81Å; F84-I132 HydrophobicContact CZ-CG1 3.92Å; F84-I155 WeakPolarHBondContact CZ-O 3.34Å; F84-P157 HydrophobicContact CB-CB 4.38Å; F84-P157 HydrophobicContact CB-CG 4.11Å; F84-P157 HydrophobicContact CD1-CG 4.07Å; F84-P157 HydrophobicContact CD2-CB 3.91Å; F84-P157 HydrophobicContact CD2-CG 3.78Å; F84-P157 HydrophobicContact CE1-CG 4.45Å; F84-P157 HydrophobicContact CE2-CB 4.47Å; F84-P157 HydrophobicContact CE2-CG 4.18Å; F84-P157 HydrophobicContact CG-CB 4.19Å; F84-P157 HydrophobicContact CG-CG 3.72Å
85	S	92.5	Very high	95.1	Very high	82 Å²	82	63 Å²	63	57%	0.573	34%	0.335	S	S	*	.			trans	-78.3	128.6	171.4	169.1	0	0	0	0	111	H92	S85-H92 PolarHBondContact OG-CE1 2.99Å; S85-H92 PolarHBondContact OG-ND1 3Å
86	F	95	Very high	95.3	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	175.9	168.2	71.5	-81.3	0	0	0	112.1	P82 F84 H92 V93 F106 I155 P157	P82-F86 HydrophobicContact CB-CD1 4.48Å; P82-F86 HydrophobicContact CB-CE1 4.17Å; P82-F86 HydrophobicContact CG-CD1 4.38Å; P82-F86 HydrophobicContact CG-CE1 3.72Å; F84-F86 HydrophobicContact CD2-CB 4.16Å; F84-F86 AromaticContact CD2-CD1 3.81Å; F84-F86 HydrophobicContact CD2-CD1 3.81Å; F84-F86 HydrophobicContact CD2-CG 4.4Å; F84-F86 HydrophobicContact CE2-CB 4.09Å; F84-F86 AromaticContact CE2-CD1 3.44Å; F84-F86 HydrophobicContact CE2-CD1 3.44Å; F84-F86 VanDerWaalsContact CE2-CD1 3.44Å; F84-F86 HydrophobicContact CE2-CE1 4.11Å; F84-F86 HydrophobicContact CE2-CG 4Å; F84-F86 HydrophobicContact CZ-CD1 4.48Å; F86-H92 PolarHBondContact O-ND1 2.97Å; F86-V93 HydrophobicContact CD1-CB 4.34Å; F86-V93 HydrophobicContact CD2-CB 4.38Å; F86-V93 HydrophobicContact CD2-CG2 4.26Å; F86-V93 HydrophobicContact CE1-CB 3.87Å; F86-V93 HydrophobicContact CE1-CG1 3.92Å; F86-V93 HydrophobicContact CE2-CB 3.9Å; F86-V93 HydrophobicContact CE2-CG1 4.29Å; F86-V93 HydrophobicContact CE2-CG2 3.72Å; F86-V93 HydrophobicContact CZ-CB 3.63Å; F86-V93 HydrophobicContact CZ-CG1 3.6Å; F86-V93 HydrophobicContact CZ-CG2 3.92Å; F86-V93 PolarHBondContact O-N 3.1Å; F86-V93 VanDerWaalsContact O-N 3.16Å; F86-F106 HydrophobicContact CE2-CE1 4.06Å; F86-F106 HydrophobicContact CZ-CD1 4.39Å; F86-F106 AromaticContact CZ-CE1 3.86Å; F86-F106 HydrophobicContact CZ-CE1 3.86Å; F86-I155 HydrophobicContact CD2-CG2 4.13Å; F86-I155 HydrophobicContact CE1-CG2 4.24Å; F86-I155 HydrophobicContact CE2-CG2 3.78Å; F86-I155 HydrophobicContact CZ-CG2 3.84Å; F86-P157 WeakPolarHBondContact CB-O 3.38Å
87	E	93.1	Very high	95.4	Very high	66 Å²	66	55.6 Å²	55.6	31%	0.308	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.7	177.7	-64.6	176.6	148.3	0	0	111.1	N91 R215	E87-N91 CarbonylContact C-O 3.57Å; E87-N91 VanDerWaalsContact CA-O 3.25Å; E87-N91 WeakPolarHBondContact CA-O 3.41Å; E87-R215 IonicContact OE1-NH2 3.5Å; E87-R215 IonicContact OE2-CZ 3.5Å; E87-R215 IonicContact OE2-NE 3.56Å; E87-R215 PolarHBondContact OE2-NE 3.02Å; E87-R215 IonicContact OE2-NH2 2.68Å; E87-R215 PolarHBondContact OE2-NH2 3.43Å
88	Y	95.1	Very high	95.5	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.8	170.4	-175.8	-101.5	0	0	0	109	Y54 N90 N91 F106 V108 L110 I161 I181 T182	Y54-Y88 WeakPolarHBondContact OH-CD2 3.47Å; Y88-N90 PolarHBondContact O-N 3.2Å; Y88-N91 PolarHBondContact N-O 3.47Å; Y88-N91 PolarHBondContact O-N 2.84Å; Y88-F106 HydrophobicContact CD1-CB 3.7Å; Y88-F106 AromaticContact CD1-CD2 3.69Å; Y88-F106 HydrophobicContact CD1-CD2 3.69Å; Y88-F106 AromaticContact CD1-CG 3.83Å; Y88-F106 HydrophobicContact CD1-CG 3.83Å; Y88-F106 AromaticContact CD2-CD2 3.75Å; Y88-F106 HydrophobicContact CD2-CD2 3.75Å; Y88-F106 AromaticContact CD2-CE2 3.75Å; Y88-F106 HydrophobicContact CD2-CE2 3.75Å; Y88-F106 HydrophobicContact CD2-CG 4.29Å; Y88-F106 HydrophobicContact CD2-CZ 4.31Å; Y88-F106 HydrophobicContact CE1-CB 4.02Å; Y88-F106 AromaticContact CE1-CD2 3.52Å; Y88-F106 HydrophobicContact CE1-CD2 3.52Å; Y88-F106 HydrophobicContact CE1-CE2 4.33Å; Y88-F106 HydrophobicContact CE1-CG 4.08Å; Y88-F106 AromaticContact CE2-CD2 3.59Å; Y88-F106 HydrophobicContact CE2-CD2 3.59Å; Y88-F106 AromaticContact CE2-CE2 3.53Å; Y88-F106 HydrophobicContact CE2-CE2 3.53Å; Y88-F106 HydrophobicContact CE2-CZ 4.44Å; Y88-F106 HydrophobicContact CG-CB 4.22Å; Y88-F106 AromaticContact CG-CD2 3.79Å; Y88-F106 HydrophobicContact CG-CD2 3.79Å; Y88-F106 HydrophobicContact CG-CE2 4.24Å; Y88-F106 AromaticContact CG-CG 3.93Å; Y88-F106 HydrophobicContact CG-CG 3.93Å; Y88-F106 AromaticContact CZ-CD2 3.46Å; Y88-F106 VanDerWaalsContact CZ-CD2 3.46Å; Y88-F106 AromaticContact CZ-CE2 3.84Å; Y88-V108 HydrophobicContact CD1-CG2 4.22Å; Y88-L110 PolarHBondContact OH-N 2.89Å; Y88-L110 PolarHBondContact OH-O 2.87Å; Y88-I161 HydrophobicContact CD2-CD1 3.94Å; Y88-I161 HydrophobicContact CE2-CD1 3.79Å; Y88-I181 HydrophobicContact CE2-CG2 4.3Å; Y88-I181 WeakPolarHBondContact OH-CG2 3.44Å; Y88-T182 PolarHBondContact OH-O 3.33Å; Y88-T182 VanDerWaalsContact OH-O 3.04Å
89	Y	92.4	Very high	95.5	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.039	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	38.7	-171.4	-81.8	-90.1	0	0	0	114.4	K53 Y54 N91 I181 V185 P194 I196	K53-Y89 HydrophobicContact CB-CD1 3.78Å; K53-Y89 HydrophobicContact CB-CE1 3.89Å; K53-Y89 HydrophobicContact CG-CD1 3.79Å; K53-Y89 HydrophobicContact CG-CE1 4.17Å; Y54-Y89 HydrophobicContact CD2-CE1 4.32Å; Y54-Y89 HydrophobicContact CD2-CE2 4.16Å; Y54-Y89 HydrophobicContact CE2-CD1 4.35Å; Y54-Y89 AromaticContact CE2-CD2 3.7Å; Y54-Y89 HydrophobicContact CE2-CD2 3.7Å; Y54-Y89 HydrophobicContact CE2-CE1 4.26Å; Y54-Y89 AromaticContact CE2-CE2 3.64Å; Y54-Y89 HydrophobicContact CE2-CE2 3.64Å; Y54-Y89 HydrophobicContact CE2-CG 4.08Å; Y54-Y89 AromaticContact CE2-CZ 3.94Å; Y54-Y89 PolarHBondContact OH-N 2.8Å; Y89-N91 PolarHBondContact O-N 3.04Å; Y89-I181 HydrophobicContact CE2-CG2 4.13Å; Y89-V185 HydrophobicContact CD1-CG2 3.77Å; Y89-V185 HydrophobicContact CE1-CG2 4.4Å; Y89-P194 HydrophobicContact CD1-CG 4.27Å; Y89-P194 HydrophobicContact CE1-CB 4.43Å; Y89-P194 HydrophobicContact CE1-CG 3.6Å; Y89-I196 WeakPolarHBondContact OH-CD1 3.18Å
90	N	87.4	Confident	95.4	Very high	67 Å²	67	44.6 Å²	44.6	36%	0.358	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	18.8	-174	-56.1	-10.1	0	0	0	115.1	Y88	Y88-N90 PolarHBondContact O-N 3.2Å
91	N	91.5	Very high	95.3	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.6	168.5	-152.3	-47.2	0	0	0	110.2	E87 Y88 Y89 V108	E87-N91 CarbonylContact C-O 3.57Å; E87-N91 VanDerWaalsContact CA-O 3.25Å; E87-N91 WeakPolarHBondContact CA-O 3.41Å; Y88-N91 PolarHBondContact N-O 3.47Å; Y88-N91 PolarHBondContact O-N 2.84Å; Y89-N91 PolarHBondContact O-N 3.04Å; N91-V108 HydrophobicContact CB-CB 4.48Å; N91-V108 HydrophobicContact CB-CG1 4.04Å; N91-V108 HydrophobicContact CB-CG2 3.62Å; N91-V108 VanDerWaalsContact ND2-CG1 3.3Å; N91-V108 WeakPolarHBondContact ND2-CG1 3.3Å
92	H	94	Very high	95.1	Very high	98 Å²	98	42.5 Å²	42.5	45%	0.454	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.7	-178.1	173.7	54.2	0	0	0	110.4	S85 F86	S85-H92 PolarHBondContact OG-CE1 2.99Å; S85-H92 PolarHBondContact OG-ND1 3Å; F86-H92 PolarHBondContact O-ND1 2.97Å
93	V	96.4	Very high	95.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	103	178	-174.9	0	0	0	0	109.7	F86 H95 F96 F106	F86-V93 HydrophobicContact CD1-CB 4.34Å; F86-V93 HydrophobicContact CD2-CB 4.38Å; F86-V93 HydrophobicContact CD2-CG2 4.26Å; F86-V93 HydrophobicContact CE1-CB 3.87Å; F86-V93 HydrophobicContact CE1-CG1 3.92Å; F86-V93 HydrophobicContact CE2-CB 3.9Å; F86-V93 HydrophobicContact CE2-CG1 4.29Å; F86-V93 HydrophobicContact CE2-CG2 3.72Å; F86-V93 HydrophobicContact CZ-CB 3.63Å; F86-V93 HydrophobicContact CZ-CG1 3.6Å; F86-V93 HydrophobicContact CZ-CG2 3.92Å; F86-V93 PolarHBondContact O-N 3.1Å; F86-V93 VanDerWaalsContact O-N 3.16Å; V93-H95 WeakPolarHBondContact CG1-O 3.32Å; V93-F96 HydrophobicContact CG1-CB 4.12Å; V93-F96 HydrophobicContact CG1-CD1 4.05Å; V93-F96 HydrophobicContact CG1-CG 4.49Å; V93-F106 HydrophobicContact CG1-CD1 4.05Å; V93-F106 HydrophobicContact CG2-CD1 4.14Å
94	D	95.5	Very high	95.1	Very high	92 Å²	92	38.5 Å²	38.5	49%	0.492	21%	0.209	S	C	.	.	S	Bend	trans	-90.7	-26	171	66.9	-25.7	0	0	0	112.4	P82	P82-D94 VanDerWaalsContact CD-O 3.31Å; P82-D94 WeakPolarHBondContact CD-O 3.08Å
95	H	97.1	Very high	95.2	Very high	85 Å²	85	40.7 Å²	40.7	39%	0.394	22%	0.222	S	C	.	.			trans	-153.2	157.8	171.5	68.9	-62.1	0	0	0	111.2	T79 V80 V93 P107	T79-H95 HydrophobicContact CG2-CB 4.04Å; V80-H95 WeakPolarHBondContact O-CA 3.5Å; V93-H95 WeakPolarHBondContact CG1-O 3.32Å; H95-P107 WeakPolarHBondContact O-CD 3.43Å; H95-P107 WeakPolarHBondContact O-CG 3.37Å
96	F	98.1	Very high	95.4	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.8	172.2	67.9	-80.7	0	0	0	110.4	T79 V80 P82 V93 I98 I104 N105 F106 I132 I155	T79-F96 WeakPolarHBondContact CA-O 3.49Å; V80-F96 HydrophobicContact CB-CD1 4.15Å; V80-F96 HydrophobicContact CB-CE1 3.7Å; V80-F96 HydrophobicContact CB-CE2 4.15Å; V80-F96 HydrophobicContact CB-CZ 3.72Å; V80-F96 HydrophobicContact CG1-CD1 4.49Å; V80-F96 HydrophobicContact CG1-CE1 3.64Å; V80-F96 HydrophobicContact CG1-CZ 3.7Å; V80-F96 HydrophobicContact CG2-CE2 4.25Å; V80-F96 HydrophobicContact CG2-CZ 4.15Å; V80-F96 PolarHBondContact N-O 2.75Å; V80-F96 PolarHBondContact O-N 3.16Å; P82-F96 HydrophobicContact CG-CD1 4.14Å; P82-F96 HydrophobicContact CG-CE1 4.02Å; V93-F96 HydrophobicContact CG1-CB 4.12Å; V93-F96 HydrophobicContact CG1-CD1 4.05Å; V93-F96 HydrophobicContact CG1-CG 4.49Å; F96-I98 HydrophobicContact CD2-CG2 3.91Å; F96-I98 HydrophobicContact CE2-CG2 3.46Å; F96-I98 VanDerWaalsContact CE2-CG2 3.46Å; F96-I104 HydrophobicContact CD2-CG2 3.53Å; F96-I104 HydrophobicContact CE2-CG2 3.74Å; F96-N105 WeakPolarHBondContact CA-O 3.44Å; F96-N105 WeakPolarHBondContact CB-O 3.24Å; F96-F106 HydrophobicContact CB-CD1 3.6Å; F96-F106 HydrophobicContact CB-CE1 4.1Å; F96-F106 HydrophobicContact CB-CG 4.44Å; F96-F106 HydrophobicContact CD1-CE1 4.41Å; F96-F106 HydrophobicContact CD2-CD1 4.35Å; F96-F106 HydrophobicContact CD2-CE1 4.02Å; F96-F106 AromaticContact CG-CD1 3.97Å; F96-F106 HydrophobicContact CG-CD1 3.97Å; F96-F106 AromaticContact CG-CE1 3.93Å; F96-F106 HydrophobicContact CG-CE1 3.93Å; F96-I132 HydrophobicContact CE1-CD1 3.82Å; F96-I132 HydrophobicContact CZ-CD1 3.98Å; F96-I132 HydrophobicContact CZ-CG2 4.34Å; F96-I155 HydrophobicContact CE2-CD1 4.32Å; F96-I155 HydrophobicContact CZ-CD1 4.22Å
97	N	98.2	Very high	95.4	Very high	37 Å²	37	40 Å²	40	20%	0.198	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.4	176.9	-72.1	3.7	0	0	0	111.5	E77 Q78 T79 N105	E77-N97 HydrophobicContact CG-CB 4.22Å; E77-N97 WeakPolarHBondContact OE1-CB 3.39Å; E77-N97 PolarHBondContact OE1-ND2 2.81Å; Q78-N97 CarbonylContact O-C 3.59Å; Q78-N97 WeakPolarHBondContact O-CA 3.43Å; T79-N97 WeakPolarHBondContact CA-OD1 3.22Å; T79-N97 WeakPolarHBondContact CB-OD1 3.07Å; T79-N97 PolarHBondContact OG1-OD1 2.85Å; N97-N105 HydrophobicContact CB-CB 4.3Å; N97-N105 PolarHBondContact N-O 2.82Å; N97-N105 PolarHBondContact O-N 3.39Å
98	I	98.2	Very high	95.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146	171.2	59.7	177.7	0	0	0	110.5	V74 E77 Q78 V80 F96 I104 L123 I125 L134	V74-I98 HydrophobicContact CG1-CD1 4.24Å; V74-I98 HydrophobicContact CG1-CG1 4.36Å; V74-I98 HydrophobicContact CG2-CD1 3.99Å; E77-I98 WeakPolarHBondContact CA-O 3.49Å; Q78-I98 HydrophobicContact CB-CG1 4.17Å; Q78-I98 PolarHBondContact N-O 2.89Å; Q78-I98 PolarHBondContact O-N 3.01Å; V80-I98 HydrophobicContact CG2-CD1 3.69Å; V80-I98 HydrophobicContact CG2-CG1 3.87Å; V80-I98 HydrophobicContact CG2-CG2 4.15Å; F96-I98 HydrophobicContact CD2-CG2 3.91Å; F96-I98 HydrophobicContact CE2-CG2 3.46Å; F96-I98 VanDerWaalsContact CE2-CG2 3.46Å; I98-I104 HydrophobicContact CG2-CG2 4.36Å; I98-L123 HydrophobicContact CB-CD2 4.12Å; I98-L123 HydrophobicContact CD1-CD2 4.06Å; I98-L123 HydrophobicContact CG1-CD2 4.15Å; I98-I125 HydrophobicContact CD1-CB 4.24Å; I98-I125 HydrophobicContact CD1-CD1 3.8Å; I98-L134 HydrophobicContact CD1-CD2 3.76Å; I98-L134 HydrophobicContact CG2-CD1 3.79Å; I98-L134 HydrophobicContact CG2-CD2 4.1Å
99	S	96.6	Very high	95.4	Very high	20 Å²	20	38.9 Å²	38.9	14%	0.14	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.5	177.1	178.1	0	0	0	0	112.1	T101 G102 V103 W136	S99-T101 PolarHBondContact O-N 3.34Å; S99-T101 PolarHBondContact OG-N 3.24Å; S99-T101 VanDerWaalsContact OG-N 3.07Å; S99-T101 PolarHBondContact OG-OG1 3.19Å; S99-G102 PolarHBondContact O-N 2.99Å; S99-G102 VanDerWaalsContact O-N 3.16Å; S99-V103 PolarHBondContact N-O 3.01Å; S99-W136 PolarHBondContact O-NE1 3.27Å
100	P	96.3	Very high	95.6	Very high	15 Å²	15	41 Å²	41	10%	0.097	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.7	166.4	-24.7	35.1	0	0	0	114.4	V74 G102 S121 L123	V74-P100 WeakPolarHBondContact O-CG 3.49Å; P100-G102 PolarHBondContact O-N 2.88Å; P100-S121 VanDerWaalsContact O-CB 3.31Å; P100-S121 WeakPolarHBondContact O-CB 3.16Å; P100-S121 PolarHBondContact O-OG 3.06Å; P100-L123 HydrophobicContact CB-CB 4.24Å; P100-L123 HydrophobicContact CG-CB 4.25Å
101	T	93.9	Very high	96.1	Very high	88 Å²	88	37.8 Å²	37.8	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	13.9	175.1	67.7	0	0	0	0	114.1	S99	S99-T101 PolarHBondContact O-N 3.34Å; S99-T101 PolarHBondContact OG-N 3.24Å; S99-T101 VanDerWaalsContact OG-N 3.07Å; S99-T101 PolarHBondContact OG-OG1 3.19Å
102	G	95.7	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	36.6	176.7	0	0	0	0	0	114.7	S99 P100 T112 F113	S99-G102 PolarHBondContact O-N 2.99Å; S99-G102 VanDerWaalsContact O-N 3.16Å; P100-G102 PolarHBondContact O-N 2.88Å; G102-T112 WeakPolarHBondContact O-CA 3.3Å; G102-F113 WeakPolarHBondContact O-CD2 3.35Å; G102-F113 PolarHBondContact O-N 3Å
103	V	96.5	Very high	96.5	Very high	38 Å²	38	31.3 Å²	31.3	23%	0.23	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.7	179.9	-176.8	0	0	0	0	111.2	S99 N105 V111	S99-V103 PolarHBondContact N-O 3.01Å; V103-N105 HydrophobicContact CG1-CB 4.33Å; V103-V111 WeakPolarHBondContact CA-O 3.46Å
104	I	98.1	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.1	161.5	-45.2	172.4	0	0	0	106.8	F96 I98 F106 L110 V111 L134 W136	F96-I104 HydrophobicContact CD2-CG2 3.53Å; F96-I104 HydrophobicContact CE2-CG2 3.74Å; I98-I104 HydrophobicContact CG2-CG2 4.36Å; I104-F106 HydrophobicContact CB-CE2 4.31Å; I104-F106 HydrophobicContact CB-CZ 4.4Å; I104-F106 HydrophobicContact CG2-CD2 4.4Å; I104-F106 HydrophobicContact CG2-CE1 3.86Å; I104-F106 HydrophobicContact CG2-CE2 3.75Å; I104-F106 HydrophobicContact CG2-CZ 3.45Å; I104-F106 VanDerWaalsContact CG2-CZ 3.45Å; I104-L110 CarbonylContact O-C 3.54Å; I104-L110 WeakPolarHBondContact O-CA 3.32Å; I104-L110 VanDerWaalsContact O-CB 3.28Å; I104-L110 WeakPolarHBondContact O-CB 3.42Å; I104-V111 HydrophobicContact CB-CB 4.22Å; I104-V111 HydrophobicContact CD1-CB 4.18Å; I104-V111 HydrophobicContact CD1-CG1 4.44Å; I104-V111 HydrophobicContact CG1-CB 4.39Å; I104-V111 PolarHBondContact N-O 3.1Å; I104-V111 PolarHBondContact O-N 2.77Å; I104-L134 HydrophobicContact CD1-CD1 3.76Å; I104-L134 HydrophobicContact CG1-CD1 3.88Å; I104-W136 HydrophobicContact CD1-CH2 3.93Å; I104-W136 HydrophobicContact CG1-CH2 3.72Å; I104-W136 HydrophobicContact CG1-CZ2 4.09Å
105	N	97.5	Very high	96	Very high	68 Å²	68	31 Å²	31	36%	0.364	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	104.9	-174.4	-176.2	25.5	0	0	0	110.1	F96 N97 V103	F96-N105 WeakPolarHBondContact CA-O 3.44Å; F96-N105 WeakPolarHBondContact CB-O 3.24Å; N97-N105 HydrophobicContact CB-CB 4.3Å; N97-N105 PolarHBondContact N-O 2.82Å; N97-N105 PolarHBondContact O-N 3.39Å; V103-N105 HydrophobicContact CG1-CB 4.33Å
106	F	97.3	Very high	95.4	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.022	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	162.1	178.3	-58	-73.1	0	0	0	111.1	F86 Y88 V93 F96 I104 V108 G109 V111 I155 I161	F86-F106 HydrophobicContact CE2-CE1 4.06Å; F86-F106 HydrophobicContact CZ-CD1 4.39Å; F86-F106 AromaticContact CZ-CE1 3.86Å; F86-F106 HydrophobicContact CZ-CE1 3.86Å; Y88-F106 HydrophobicContact CD1-CB 3.7Å; Y88-F106 AromaticContact CD1-CD2 3.69Å; Y88-F106 HydrophobicContact CD1-CD2 3.69Å; Y88-F106 AromaticContact CD1-CG 3.83Å; Y88-F106 HydrophobicContact CD1-CG 3.83Å; Y88-F106 AromaticContact CD2-CD2 3.75Å; Y88-F106 HydrophobicContact CD2-CD2 3.75Å; Y88-F106 AromaticContact CD2-CE2 3.75Å; Y88-F106 HydrophobicContact CD2-CE2 3.75Å; Y88-F106 HydrophobicContact CD2-CG 4.29Å; Y88-F106 HydrophobicContact CD2-CZ 4.31Å; Y88-F106 HydrophobicContact CE1-CB 4.02Å; Y88-F106 AromaticContact CE1-CD2 3.52Å; Y88-F106 HydrophobicContact CE1-CD2 3.52Å; Y88-F106 HydrophobicContact CE1-CE2 4.33Å; Y88-F106 HydrophobicContact CE1-CG 4.08Å; Y88-F106 AromaticContact CE2-CD2 3.59Å; Y88-F106 HydrophobicContact CE2-CD2 3.59Å; Y88-F106 AromaticContact CE2-CE2 3.53Å; Y88-F106 HydrophobicContact CE2-CE2 3.53Å; Y88-F106 HydrophobicContact CE2-CZ 4.44Å; Y88-F106 HydrophobicContact CG-CB 4.22Å; Y88-F106 AromaticContact CG-CD2 3.79Å; Y88-F106 HydrophobicContact CG-CD2 3.79Å; Y88-F106 HydrophobicContact CG-CE2 4.24Å; Y88-F106 AromaticContact CG-CG 3.93Å; Y88-F106 HydrophobicContact CG-CG 3.93Å; Y88-F106 AromaticContact CZ-CD2 3.46Å; Y88-F106 VanDerWaalsContact CZ-CD2 3.46Å; Y88-F106 AromaticContact CZ-CE2 3.84Å; V93-F106 HydrophobicContact CG1-CD1 4.05Å; V93-F106 HydrophobicContact CG2-CD1 4.14Å; F96-F106 HydrophobicContact CB-CD1 3.6Å; F96-F106 HydrophobicContact CB-CE1 4.1Å; F96-F106 HydrophobicContact CB-CG 4.44Å; F96-F106 HydrophobicContact CD1-CE1 4.41Å; F96-F106 HydrophobicContact CD2-CD1 4.35Å; F96-F106 HydrophobicContact CD2-CE1 4.02Å; F96-F106 AromaticContact CG-CD1 3.97Å; F96-F106 HydrophobicContact CG-CD1 3.97Å; F96-F106 AromaticContact CG-CE1 3.93Å; F96-F106 HydrophobicContact CG-CE1 3.93Å; I104-F106 HydrophobicContact CB-CE2 4.31Å; I104-F106 HydrophobicContact CB-CZ 4.4Å; I104-F106 HydrophobicContact CG2-CD2 4.4Å; I104-F106 HydrophobicContact CG2-CE1 3.86Å; I104-F106 HydrophobicContact CG2-CE2 3.75Å; I104-F106 HydrophobicContact CG2-CZ 3.45Å; I104-F106 VanDerWaalsContact CG2-CZ 3.45Å; F106-V108 PolarHBondContact O-N 2.8Å; F106-G109 CarbonylContact C-O 3.57Å; F106-G109 WeakPolarHBondContact CA-O 3.13Å; F106-G109 WeakPolarHBondContact CB-O 3.22Å; F106-G109 PolarHBondContact N-O 2.83Å; F106-G109 PolarHBondContact O-N 3.27Å; F106-V111 HydrophobicContact CE2-CG2 4.07Å; F106-I155 HydrophobicContact CE1-CD1 4.21Å; F106-I155 HydrophobicContact CZ-CD1 3.96Å; F106-I161 HydrophobicContact CE2-CD1 4.28Å; F106-I161 HydrophobicContact CZ-CD1 4.27Å
107	P	94.4	Very high	95	Very high	66 Å²	66	33.2 Å²	33.2	43%	0.429	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.9	-177.1	-28.2	36.8	0	0	0	116.2	H95	H95-P107 WeakPolarHBondContact O-CD 3.43Å; H95-P107 WeakPolarHBondContact O-CG 3.37Å
108	V	93.2	Very high	94.4	Very high	29 Å²	29	34.3 Å²	34.3	18%	0.176	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	18.9	179	-62.4	0	0	0	0	114.1	Y88 N91 F106 G183 E184	Y88-V108 HydrophobicContact CD1-CG2 4.22Å; N91-V108 HydrophobicContact CB-CB 4.48Å; N91-V108 HydrophobicContact CB-CG1 4.04Å; N91-V108 HydrophobicContact CB-CG2 3.62Å; N91-V108 VanDerWaalsContact ND2-CG1 3.3Å; N91-V108 WeakPolarHBondContact ND2-CG1 3.3Å; F106-V108 PolarHBondContact O-N 2.8Å; V108-G183 CarbonylContact O-C 3.59Å; V108-G183 WeakPolarHBondContact O-CA 3.37Å; V108-E184 HydrophobicContact CB-CB 4.36Å; V108-E184 PolarHBondContact O-N 3.43Å
109	G	95.6	Very high	94.1	Very high	15 Å²	15	40 Å²	40	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-171.3	-179.2	0	0	0	0	0	114.1	F106 T182	F106-G109 CarbonylContact C-O 3.57Å; F106-G109 WeakPolarHBondContact CA-O 3.13Å; F106-G109 WeakPolarHBondContact CB-O 3.22Å; F106-G109 PolarHBondContact N-O 2.83Å; F106-G109 PolarHBondContact O-N 3.27Å; G109-T182 CarbonylContact C-O 3.53Å; G109-T182 VanDerWaalsContact CA-O 3.22Å; G109-T182 WeakPolarHBondContact CA-O 3.39Å
110	L	96.9	Very high	93.8	Very high	53 Å²	53	41.8 Å²	41.8	28%	0.277	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.3	-171.1	59.6	82	0	0	0	114.4	Y88 I104 T112 I181 T182	Y88-L110 PolarHBondContact OH-N 2.89Å; Y88-L110 PolarHBondContact OH-O 2.87Å; I104-L110 CarbonylContact O-C 3.54Å; I104-L110 WeakPolarHBondContact O-CA 3.32Å; I104-L110 VanDerWaalsContact O-CB 3.28Å; I104-L110 WeakPolarHBondContact O-CB 3.42Å; L110-T112 HydrophobicContact CD1-CG2 3.67Å; L110-I181 WeakPolarHBondContact O-CA 3.38Å; L110-T182 HydrophobicContact CD1-CG2 3.85Å; L110-T182 HydrophobicContact CG-CG2 3.9Å; L110-T182 PolarHBondContact N-O 3.37Å; L110-T182 PolarHBondContact O-N 3.48Å
111	V	97.8	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.2	162.6	178.6	0	0	0	0	106.9	V103 I104 F106 F113 I161 L163 L180 I181	V103-V111 WeakPolarHBondContact CA-O 3.46Å; I104-V111 HydrophobicContact CB-CB 4.22Å; I104-V111 HydrophobicContact CD1-CB 4.18Å; I104-V111 HydrophobicContact CD1-CG1 4.44Å; I104-V111 HydrophobicContact CG1-CB 4.39Å; I104-V111 PolarHBondContact N-O 3.1Å; I104-V111 PolarHBondContact O-N 2.77Å; F106-V111 HydrophobicContact CE2-CG2 4.07Å; V111-F113 HydrophobicContact CG1-CZ 4.39Å; V111-I161 HydrophobicContact CG2-CD1 4.35Å; V111-L163 HydrophobicContact CG1-CD1 4.24Å; V111-L180 WeakPolarHBondContact CA-O 3.32Å; V111-I181 HydrophobicContact CB-CG1 4.46Å; V111-I181 HydrophobicContact CG1-CD1 4.33Å; V111-I181 HydrophobicContact CG1-CG1 4.15Å; V111-I181 HydrophobicContact CG2-CB 4.43Å; V111-I181 HydrophobicContact CG2-CD1 3.84Å; V111-I181 HydrophobicContact CG2-CG1 3.88Å; V111-I181 HydrophobicContact CG2-CG2 4.15Å
112	T	97.2	Very high	93.8	Very high	31 Å²	31	44 Å²	44	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.1	-179.5	-176.2	0	0	0	0	111.8	G102 L110 T179 L180	G102-T112 WeakPolarHBondContact O-CA 3.3Å; L110-T112 HydrophobicContact CD1-CG2 3.67Å; T112-T179 WeakPolarHBondContact O-CA 3.43Å; T112-L180 HydrophobicContact CG2-CB 3.85Å; T112-L180 HydrophobicContact CG2-CD2 4.33Å; T112-L180 HydrophobicContact CG2-CG 4.39Å; T112-L180 PolarHBondContact N-O 3.45Å; T112-L180 PolarHBondContact O-N 3.17Å; T112-L180 VanDerWaalsContact O-N 3.1Å
113	F	96.3	Very high	93.9	Very high	8 Å²	8	44 Å²	44	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.6	174.8	-58.1	-75	0	0	0	109.4	G102 V111 M115 W136 I151 L163 Y165 T179	G102-F113 WeakPolarHBondContact O-CD2 3.35Å; G102-F113 PolarHBondContact O-N 3Å; V111-F113 HydrophobicContact CG1-CZ 4.39Å; F113-M115 HydrophobicContact CB-CE 3.87Å; F113-W136 HydrophobicContact CD2-CE3 4.49Å; F113-W136 HydrophobicContact CE2-CD2 4.37Å; F113-W136 AromaticContact CE2-CE3 3.89Å; F113-W136 HydrophobicContact CE2-CE3 3.89Å; F113-W136 AromaticContact CE2-CH2 3.84Å; F113-W136 HydrophobicContact CE2-CH2 3.84Å; F113-W136 HydrophobicContact CE2-CZ2 4.31Å; F113-W136 AromaticContact CE2-CZ3 3.61Å; F113-W136 HydrophobicContact CE2-CZ3 3.61Å; F113-W136 HydrophobicContact CZ-CZ3 4.22Å; F113-I151 HydrophobicContact CD1-CD1 3.89Å; F113-I151 HydrophobicContact CD1-CG2 4.24Å; F113-I151 HydrophobicContact CE1-CD1 4.34Å; F113-I151 HydrophobicContact CE1-CG2 3.67Å; F113-I151 HydrophobicContact CE2-CG2 4.44Å; F113-I151 HydrophobicContact CG-CD1 4.3Å; F113-I151 HydrophobicContact CZ-CG2 3.78Å; F113-L163 HydrophobicContact CE1-CD1 3.98Å; F113-L163 HydrophobicContact CZ-CD1 4.25Å; F113-L163 HydrophobicContact CZ-CD2 4.13Å; F113-Y165 HydrophobicContact CE1-CE1 4.45Å; F113-T179 HydrophobicContact CD1-CG2 3.68Å; F113-T179 WeakPolarHBondContact CD1-OG1 3.28Å; F113-T179 HydrophobicContact CE1-CG2 3.67Å
114	T	91.7	Very high	94	Very high	65 Å²	65	46 Å²	46	40%	0.399	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.9	175.3	-52.7	0	0	0	0	109.2	D178	T114-D178 PolarHBondContact N-O 3.42Å; T114-D178 PolarHBondContact O-N 3.36Å
115	M	88.6	Confident	94	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.128	25%	0.252	C	S	.	.			trans	-141.6	164.3	-170.3	-65.1	-66.7	149.9	0	0	110.8	F113 I118 I149 I151 E176 L177	F113-M115 HydrophobicContact CB-CE 3.87Å; M115-I118 HydrophobicContact CB-CD1 4.22Å; M115-I118 HydrophobicContact CB-CG1 4.33Å; M115-I149 HydrophobicContact CE-CG2 4.3Å; M115-I149 HydrophobicContact SD-CD1 3.48Å; M115-I149 WeakPolarHBondContact SD-CD1 3.46Å; M115-I149 HydrophobicContact SD-CG2 3.99Å; M115-I151 HydrophobicContact CE-CD1 3.53Å; M115-E176 CarbonylContact C-O 3.57Å; M115-L177 HydrophobicContact CE-CD2 4.08Å; M115-L177 HydrophobicContact SD-CD2 3.42Å; M115-L177 WeakPolarHBondContact SD-CD2 3.24Å
116	P	85.9	Confident	94	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.104	24%	0.238	C	C	.	.	S	Bend	trans	-53.6	168.4	161.3	-21.9	31.2	0	0	0	112.7	I118 Y143 I172 E176	P116-I118 WeakPolarHBondContact O-CG1 3.42Å; P116-I118 PolarHBondContact O-N 3.06Å; P116-I118 VanDerWaalsContact O-N 3.14Å; P116-Y143 HydrophobicContact CB-CE2 3.98Å; P116-Y143 HydrophobicContact CG-CE2 4.03Å; P116-I172 HydrophobicContact CG-CD1 4.46Å; P116-I172 HydrophobicContact CG-CG2 3.69Å; P116-E176 HydrophobicContact CG-CB 4.03Å
117	E	88.2	Confident	94	Very high	117 Å²	117	45 Å²	45	55%	0.547	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57.5	122.1	178.8	-164.9	-174.1	155	0	0	110.9	K141	E117-K141 HydrophobicContact CB-CB 4.46Å; E117-K141 HydrophobicContact CB-CD 4.23Å; E117-K141 HydrophobicContact CG-CD 3.92Å; E117-K141 WeakPolarHBondContact O-CB 3.16Å; E117-K141 PolarHBondContact O-N 3.38Å; E117-K141 VanDerWaalsContact OE1-CD 3.31Å; E117-K141 WeakPolarHBondContact OE1-CD 3.45Å; E117-K141 IonicContact OE1-NZ 3.57Å; E117-K141 PolarHBondContact OE1-NZ 2.91Å; E117-K141 IonicContact OE2-NZ 2.7Å; E117-K141 PolarHBondContact OE2-NZ 2.85Å
118	I	87	Confident	94.1	Very high	60 Å²	60	45.7 Å²	45.7	31%	0.308	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.9	-173.8	-62.5	162.2	0	0	0	109.8	M115 P116 S120 F138	M115-I118 HydrophobicContact CB-CD1 4.22Å; M115-I118 HydrophobicContact CB-CG1 4.33Å; P116-I118 WeakPolarHBondContact O-CG1 3.42Å; P116-I118 PolarHBondContact O-N 3.06Å; P116-I118 VanDerWaalsContact O-N 3.14Å; I118-S120 WeakPolarHBondContact CG2-O 3.5Å; I118-F138 HydrophobicContact CD1-CB 4.5Å; I118-F138 HydrophobicContact CD1-CD1 3.7Å; I118-F138 HydrophobicContact CD1-CE1 4.26Å; I118-F138 HydrophobicContact CD1-CG 4.34Å; I118-F138 HydrophobicContact CG1-CB 4.44Å; I118-F138 HydrophobicContact CG1-CD1 4.48Å; I118-F138 HydrophobicContact CG2-CB 4.42Å
119	Q	90.3	Very high	94.2	Very high	121 Å²	121	51.5 Å²	51.5	57%	0.565	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-42	171.3	179.3	177.8	21	0	0	112	Q139 K141	Q119-Q139 PolarHBondContact N-O 3.17Å; Q119-K141 HydrophobicContact CB-CB 4.16Å
120	S	91.8	Very high	94.1	Very high	57 Å²	57	58.2 Å²	58.2	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	153.8	177.9	72.3	0	0	0	0	111.2	I118 Q139	I118-S120 WeakPolarHBondContact CG2-O 3.5Å; S120-Q139 PolarHBondContact N-O 2.75Å; S120-Q139 PolarHBondContact O-N 2.97Å; S120-Q139 WeakPolarHBondContact OG-CB 3.25Å; S120-Q139 PolarHBondContact OG-OE1 2.68Å
121	S	94.4	Very high	94.1	Very high	40 Å²	40	57 Å²	57	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.7	171.5	65.4	0	0	0	0	112.2	P100 S137	P100-S121 VanDerWaalsContact O-CB 3.31Å; P100-S121 WeakPolarHBondContact O-CB 3.16Å; P100-S121 PolarHBondContact O-OG 3.06Å; S121-S137 CarbonylContact C-O 3.5Å; S121-S137 VanDerWaalsContact CA-O 3.28Å; S121-S137 WeakPolarHBondContact CA-O 3.45Å
122	Q	95.7	Very high	94.1	Very high	110 Å²	110	57 Å²	57	51%	0.514	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.3	173.2	-63.3	-174.1	-66.2	0	0	108.8	E73 W136 S137	E73-Q122 PolarHBondContact OE1-NE2 2.81Å; Q122-W136 VanDerWaalsContact O-CA 3.32Å; Q122-W136 WeakPolarHBondContact O-CA 3.47Å; Q122-S137 PolarHBondContact N-O 3.12Å; Q122-S137 PolarHBondContact O-N 2.8Å
123	L	97.8	Very high	94.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.5	172.8	173.2	57.3	0	0	0	109.4	V74 I98 P100 L134 R135 W136	V74-L123 HydrophobicContact CB-CB 4.11Å; V74-L123 HydrophobicContact CB-CD2 4.05Å; V74-L123 HydrophobicContact CB-CG 3.89Å; V74-L123 HydrophobicContact CG1-CD2 3.98Å; V74-L123 HydrophobicContact CG1-CG 4.39Å; V74-L123 HydrophobicContact CG2-CG 4.27Å; V74-L123 PolarHBondContact N-O 2.83Å; I98-L123 HydrophobicContact CB-CD2 4.12Å; I98-L123 HydrophobicContact CD1-CD2 4.06Å; I98-L123 HydrophobicContact CG1-CD2 4.15Å; P100-L123 HydrophobicContact CB-CB 4.24Å; P100-L123 HydrophobicContact CG-CB 4.25Å; L123-L134 HydrophobicContact CD1-CB 4.29Å; L123-L134 HydrophobicContact CD1-CD2 4.39Å; L123-R135 CarbonylContact C-O 3.44Å; L123-R135 WeakPolarHBondContact CA-O 3.41Å; L123-R135 WeakPolarHBondContact CD1-O 3.43Å; L123-W136 HydrophobicContact CD1-CD2 3.8Å; L123-W136 HydrophobicContact CD1-CE3 4.43Å; L123-W136 HydrophobicContact CD1-CG 4.02Å; L123-W136 HydrophobicContact CD1-CZ2 3.99Å
124	Q	97.7	Very high	94.2	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.2	172.6	-72.8	177.9	-6.7	0	0	110.4	F71 E72 L134 R135	F71-Q124 HydrophobicContact CB-CB 4.16Å; F71-Q124 HydrophobicContact CD1-CB 4.01Å; E72-Q124 CarbonylContact O-C 3.52Å; E72-Q124 VanDerWaalsContact O-CA 3.23Å; E72-Q124 WeakPolarHBondContact O-CA 3.33Å; Q124-L134 CarbonylContact O-C 3.47Å; Q124-L134 WeakPolarHBondContact O-CA 3.13Å; Q124-R135 HydrophobicContact CB-CB 4.33Å; Q124-R135 PolarHBondContact N-O 3.48Å; Q124-R135 PolarHBondContact O-N 3.22Å
125	I	98.1	Very high	94.5	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.2	175.9	-176.2	167.9	0	0	0	111.7	F71 E72 V74 V80 I98 N127 I132 A133 L134	F71-I125 CarbonylContact C-O 3.56Å; F71-I125 WeakPolarHBondContact CA-O 3.36Å; E72-I125 HydrophobicContact CB-CG2 4.06Å; E72-I125 PolarHBondContact N-O 3.2Å; E72-I125 PolarHBondContact O-N 3.29Å; V74-I125 HydrophobicContact CG2-CB 4.17Å; V74-I125 HydrophobicContact CG2-CG2 3.57Å; V80-I125 HydrophobicContact CB-CD1 4.4Å; V80-I125 HydrophobicContact CG1-CD1 3.84Å; V80-I125 HydrophobicContact CG2-CD1 3.58Å; I98-I125 HydrophobicContact CD1-CB 4.24Å; I98-I125 HydrophobicContact CD1-CD1 3.8Å; I125-N127 HydrophobicContact CD1-CB 4.35Å; I125-N127 HydrophobicContact CG1-CB 4.44Å; I125-I132 HydrophobicContact CD1-CG2 4.37Å; I125-I132 HydrophobicContact CG1-CG2 4.43Å; I125-A133 CarbonylContact C-O 3.45Å; I125-A133 WeakPolarHBondContact CA-O 3.42Å; I125-L134 HydrophobicContact CB-CD2 3.81Å; I125-L134 HydrophobicContact CD1-CD2 3.85Å; I125-L134 HydrophobicContact CG1-CD2 3.69Å
126	L	97.7	Very high	94.9	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.1	158.2	177.2	72.3	0	0	0	107.1	V67 K68 F71 E128 I132 A133	V67-L126 HydrophobicContact CG1-CD2 3.57Å; K68-L126 WeakPolarHBondContact O-CD2 3.3Å; F71-L126 HydrophobicContact CD1-CB 3.82Å; F71-L126 HydrophobicContact CD2-CB 4.14Å; F71-L126 HydrophobicContact CD2-CD2 4.5Å; F71-L126 HydrophobicContact CE1-CB 3.62Å; F71-L126 HydrophobicContact CE2-CB 3.93Å; F71-L126 HydrophobicContact CE2-CD2 3.84Å; F71-L126 HydrophobicContact CE2-CG 4.46Å; F71-L126 HydrophobicContact CG-CB 4.07Å; F71-L126 HydrophobicContact CZ-CB 3.68Å; F71-L126 HydrophobicContact CZ-CD2 3.99Å; F71-L126 HydrophobicContact CZ-CG 4.49Å; L126-E128 HydrophobicContact CD1-CG 4.01Å; L126-E128 HydrophobicContact CD2-CG 4.4Å; L126-E128 HydrophobicContact CG-CG 4.03Å; L126-I132 CarbonylContact O-C 3.5Å; L126-I132 WeakPolarHBondContact O-CA 3.47Å; L126-A133 HydrophobicContact CB-CB 4.34Å; L126-A133 PolarHBondContact N-O 3.28Å; L126-A133 PolarHBondContact O-N 2.76Å
127	N	97.2	Very high	95.3	Very high	35 Å²	35	54.9 Å²	54.9	19%	0.187	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	97.1	-176.7	172.6	15.9	0	0	0	108.1	I81 K83 I125 I132	I81-N127 PolarHBondContact O-ND2 3.11Å; K83-N127 WeakPolarHBondContact CD-O 3.2Å; K83-N127 WeakPolarHBondContact CE-O 3.34Å; K83-N127 PolarHBondContact N-OD1 3.01Å; K83-N127 PolarHBondContact NZ-O 3.26Å; I125-N127 HydrophobicContact CD1-CB 4.35Å; I125-N127 HydrophobicContact CG1-CB 4.44Å; N127-I132 HydrophobicContact CB-CG1 4.24Å; N127-I132 WeakPolarHBondContact OD1-CG1 3.44Å
128	E	96.3	Very high	95.7	Very high	80 Å²	80	49.3 Å²	49.3	37%	0.374	25%	0.245	S	C	.	.			trans	-116.1	167.9	-178.3	-67.1	-48.3	133.8	0	0	112.5	K83 F84 L126 E130 L131	K83-E128 IonicContact NZ-OE1 2.83Å; K83-E128 PolarHBondContact NZ-OE1 2.81Å; K83-E128 IonicContact NZ-OE2 2.69Å; K83-E128 PolarHBondContact NZ-OE2 2.96Å; F84-E128 VanDerWaalsContact CD1-O 3.26Å; F84-E128 WeakPolarHBondContact CD1-O 3.44Å; F84-E128 VanDerWaalsContact CE1-O 3.31Å; F84-E128 WeakPolarHBondContact CE1-O 3.34Å; L126-E128 HydrophobicContact CD1-CG 4.01Å; L126-E128 HydrophobicContact CD2-CG 4.4Å; L126-E128 HydrophobicContact CG-CG 4.03Å; E128-E130 PolarHBondContact O-N 3.36Å; E128-L131 CarbonylContact C-O 3.54Å; E128-L131 WeakPolarHBondContact CA-O 3.44Å; E128-L131 PolarHBondContact N-O 2.91Å; E128-L131 VanDerWaalsContact O-O 3.1Å
129	E	95.2	Very high	95.9	Very high	150 Å²	150	48.4 Å²	48.4	70%	0.701	24%	0.24	S	C	*	.	S	Bend	trans	-64.8	-25.6	-179.9	-67.2	-178.8	-170.1	0	0	112.7	K83 F84	K83-E129 HydrophobicContact CB-CG 4.01Å; K83-E129 HydrophobicContact CD-CG 4.2Å; F84-E129 WeakPolarHBondContact CD1-O 3.48Å
130	E	94.2	Very high	95.9	Very high	156 Å²	156	42.8 Å²	42.8	73%	0.729	21%	0.214	S	C	*	.	S	Bend	trans	-88.7	-32.4	-179.7	-58.3	-171.8	155	0	0	113.9	E128 P157	E128-E130 PolarHBondContact O-N 3.36Å; E130-P157 WeakPolarHBondContact O-CD 3.42Å
131	L	96.7	Very high	95.6	Very high	28 Å²	28	44.6 Å²	44.6	15%	0.147	21%	0.214	C	C	.	.			trans	-165.4	159.6	-179.8	62.9	85.3	0	0	0	112.1	V67 E128 A133 I155 Y156	V67-L131 HydrophobicContact CG1-CD1 4.13Å; V67-L131 HydrophobicContact CG2-CD1 4.45Å; V67-L131 HydrophobicContact CG2-CD2 4.46Å; E128-L131 CarbonylContact C-O 3.54Å; E128-L131 WeakPolarHBondContact CA-O 3.44Å; E128-L131 PolarHBondContact N-O 2.91Å; E128-L131 VanDerWaalsContact O-O 3.1Å; L131-A133 HydrophobicContact CD1-CB 3.81Å; L131-I155 CarbonylContact C-O 3.58Å; L131-I155 VanDerWaalsContact CA-O 3.3Å; L131-I155 WeakPolarHBondContact CA-O 3.43Å; L131-I155 WeakPolarHBondContact CB-O 3.31Å; L131-Y156 HydrophobicContact CB-CD1 4.01Å; L131-Y156 HydrophobicContact CB-CE1 4.15Å; L131-Y156 HydrophobicContact CD2-CE1 3.98Å
132	I	97.9	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.8	161.4	-65	156.1	0	0	0	107.8	P82 F84 F96 I125 L126 N127 L134 L154 I155	P82-I132 HydrophobicContact CB-CD1 4.08Å; P82-I132 HydrophobicContact CG-CD1 4.4Å; F84-I132 HydrophobicContact CE1-CD1 4.07Å; F84-I132 HydrophobicContact CE1-CG1 3.84Å; F84-I132 HydrophobicContact CZ-CD1 3.81Å; F84-I132 HydrophobicContact CZ-CG1 3.92Å; F96-I132 HydrophobicContact CE1-CD1 3.82Å; F96-I132 HydrophobicContact CZ-CD1 3.98Å; F96-I132 HydrophobicContact CZ-CG2 4.34Å; I125-I132 HydrophobicContact CD1-CG2 4.37Å; I125-I132 HydrophobicContact CG1-CG2 4.43Å; L126-I132 CarbonylContact O-C 3.5Å; L126-I132 WeakPolarHBondContact O-CA 3.47Å; N127-I132 HydrophobicContact CB-CG1 4.24Å; N127-I132 WeakPolarHBondContact OD1-CG1 3.44Å; I132-L134 HydrophobicContact CG2-CG 4.38Å; I132-L154 CarbonylContact O-C 3.58Å; I132-L154 VanDerWaalsContact O-CA 3.32Å; I132-L154 WeakPolarHBondContact O-CA 3.44Å; I132-I155 HydrophobicContact CB-CB 4.36Å; I132-I155 PolarHBondContact N-O 2.81Å; I132-I155 PolarHBondContact O-N 2.91Å
133	A	98.1	Very high	94.2	Very high	1 Å²	1	46 Å²	46	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.7	172.8	0	0	0	0	0	110.7	V67 F71 I125 L126 L131 S153 L154	V67-A133 HydrophobicContact CG1-CB 4.03Å; V67-A133 HydrophobicContact CG2-CB 4.42Å; F71-A133 HydrophobicContact CE1-CB 3.82Å; F71-A133 HydrophobicContact CZ-CB 3.79Å; I125-A133 CarbonylContact C-O 3.45Å; I125-A133 WeakPolarHBondContact CA-O 3.42Å; L126-A133 HydrophobicContact CB-CB 4.34Å; L126-A133 PolarHBondContact N-O 3.28Å; L126-A133 PolarHBondContact O-N 2.76Å; L131-A133 HydrophobicContact CD1-CB 3.81Å; A133-S153 CarbonylContact C-O 3.57Å; A133-S153 WeakPolarHBondContact CA-O 3.34Å; A133-L154 HydrophobicContact CB-CD2 3.44Å; A133-L154 VanDerWaalsContact CB-CD2 3.44Å
134	L	98	Very high	93	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	173.4	-61	169.5	0	0	0	108.3	I98 I104 L123 Q124 I125 I132 W136 A152 S153	I98-L134 HydrophobicContact CD1-CD2 3.76Å; I98-L134 HydrophobicContact CG2-CD1 3.79Å; I98-L134 HydrophobicContact CG2-CD2 4.1Å; I104-L134 HydrophobicContact CD1-CD1 3.76Å; I104-L134 HydrophobicContact CG1-CD1 3.88Å; L123-L134 HydrophobicContact CD1-CB 4.29Å; L123-L134 HydrophobicContact CD1-CD2 4.39Å; Q124-L134 CarbonylContact O-C 3.47Å; Q124-L134 WeakPolarHBondContact O-CA 3.13Å; I125-L134 HydrophobicContact CB-CD2 3.81Å; I125-L134 HydrophobicContact CD1-CD2 3.85Å; I125-L134 HydrophobicContact CG1-CD2 3.69Å; I132-L134 HydrophobicContact CG2-CG 4.38Å; L134-W136 HydrophobicContact CB-CE3 4.34Å; L134-W136 HydrophobicContact CB-CH2 3.55Å; L134-W136 HydrophobicContact CB-CZ2 4.33Å; L134-W136 HydrophobicContact CB-CZ3 3.55Å; L134-W136 HydrophobicContact CD1-CH2 3.61Å; L134-W136 HydrophobicContact CD1-CZ2 4.24Å; L134-W136 HydrophobicContact CD1-CZ3 4.4Å; L134-W136 HydrophobicContact CG-CH2 4.19Å; L134-A152 CarbonylContact O-C 3.6Å; L134-A152 VanDerWaalsContact O-CA 3.22Å; L134-A152 WeakPolarHBondContact O-CA 3.29Å; L134-S153 PolarHBondContact N-O 2.68Å; L134-S153 PolarHBondContact O-N 2.91Å
135	R	97.3	Very high	91.3	Very high	64 Å²	64	49.7 Å²	49.7	24%	0.242	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.1	174.6	-70.6	178.4	172.7	141.2	-0.4	109.4	H64 V67 F71 L123 Q124 I151 A152	H64-R135 PolarHBondContact NE2-NH2 3.27Å; V67-R135 PolarHBondContact O-NH2 3.26Å; V67-R135 VanDerWaalsContact O-NH2 3.09Å; F71-R135 HydrophobicContact CE1-CG 4.2Å; L123-R135 CarbonylContact C-O 3.44Å; L123-R135 WeakPolarHBondContact CA-O 3.41Å; L123-R135 WeakPolarHBondContact CD1-O 3.43Å; Q124-R135 HydrophobicContact CB-CB 4.33Å; Q124-R135 PolarHBondContact N-O 3.48Å; Q124-R135 PolarHBondContact O-N 3.22Å; R135-I151 WeakPolarHBondContact CA-O 3.43Å; R135-A152 HydrophobicContact CG-CB 4.16Å
136	W	97	Very high	90	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.5	168.8	-64.5	-97.9	0	0	0	110.4	S99 I104 F113 Q122 L123 L134 F138 N150 I151	S99-W136 PolarHBondContact O-NE1 3.27Å; I104-W136 HydrophobicContact CD1-CH2 3.93Å; I104-W136 HydrophobicContact CG1-CH2 3.72Å; I104-W136 HydrophobicContact CG1-CZ2 4.09Å; F113-W136 HydrophobicContact CD2-CE3 4.49Å; F113-W136 HydrophobicContact CE2-CD2 4.37Å; F113-W136 AromaticContact CE2-CE3 3.89Å; F113-W136 HydrophobicContact CE2-CE3 3.89Å; F113-W136 AromaticContact CE2-CH2 3.84Å; F113-W136 HydrophobicContact CE2-CH2 3.84Å; F113-W136 HydrophobicContact CE2-CZ2 4.31Å; F113-W136 AromaticContact CE2-CZ3 3.61Å; F113-W136 HydrophobicContact CE2-CZ3 3.61Å; F113-W136 HydrophobicContact CZ-CZ3 4.22Å; Q122-W136 VanDerWaalsContact O-CA 3.32Å; Q122-W136 WeakPolarHBondContact O-CA 3.47Å; L123-W136 HydrophobicContact CD1-CD2 3.8Å; L123-W136 HydrophobicContact CD1-CE3 4.43Å; L123-W136 HydrophobicContact CD1-CG 4.02Å; L123-W136 HydrophobicContact CD1-CZ2 3.99Å; L134-W136 HydrophobicContact CB-CE3 4.34Å; L134-W136 HydrophobicContact CB-CH2 3.55Å; L134-W136 HydrophobicContact CB-CZ2 4.33Å; L134-W136 HydrophobicContact CB-CZ3 3.55Å; L134-W136 HydrophobicContact CD1-CH2 3.61Å; L134-W136 HydrophobicContact CD1-CZ2 4.24Å; L134-W136 HydrophobicContact CD1-CZ3 4.4Å; L134-W136 HydrophobicContact CG-CH2 4.19Å; W136-F138 HydrophobicContact CB-CD2 4.18Å; W136-F138 HydrophobicContact CB-CE1 4.11Å; W136-F138 HydrophobicContact CB-CE2 3.46Å; W136-F138 VanDerWaalsContact CB-CE2 3.46Å; W136-F138 HydrophobicContact CB-CZ 3.42Å; W136-F138 VanDerWaalsContact CB-CZ 3.42Å; W136-F138 AromaticContact CD1-CE1 3.8Å; W136-F138 AromaticContact CD1-CZ 3.55Å; W136-F138 HydrophobicContact CD2-CZ 4.42Å; W136-F138 HydrophobicContact CG-CE1 4.17Å; W136-F138 HydrophobicContact CG-CE2 4.05Å; W136-F138 AromaticContact CG-CZ 3.52Å; W136-F138 HydrophobicContact CG-CZ 3.52Å; W136-N150 WeakPolarHBondContact O-CA 3.46Å; W136-I151 PolarHBondContact N-O 3.06Å; W136-I151 PolarHBondContact O-N 3.24Å
137	S	95.7	Very high	89.2	Confident	31 Å²	31	57.9 Å²	57.9	22%	0.217	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.9	156.5	-164.6	0	0	0	0	108.4	S121 Q122 I149 N150	S121-S137 CarbonylContact C-O 3.5Å; S121-S137 VanDerWaalsContact CA-O 3.28Å; S121-S137 WeakPolarHBondContact CA-O 3.45Å; Q122-S137 PolarHBondContact N-O 3.12Å; Q122-S137 PolarHBondContact O-N 2.8Å; S137-I149 CarbonylContact C-O 3.55Å; S137-I149 WeakPolarHBondContact CA-O 3.21Å; S137-N150 PolarHBondContact OG-OD1 2.83Å
138	F	94.8	Very high	88.9	Confident	1 Å²	1	58 Å²	58	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.2	176	-46.3	-85.9	0	0	0	109.5	I118 W136 T148 I149 I151	I118-F138 HydrophobicContact CD1-CB 4.5Å; I118-F138 HydrophobicContact CD1-CD1 3.7Å; I118-F138 HydrophobicContact CD1-CE1 4.26Å; I118-F138 HydrophobicContact CD1-CG 4.34Å; I118-F138 HydrophobicContact CG1-CB 4.44Å; I118-F138 HydrophobicContact CG1-CD1 4.48Å; I118-F138 HydrophobicContact CG2-CB 4.42Å; W136-F138 HydrophobicContact CB-CD2 4.18Å; W136-F138 HydrophobicContact CB-CE1 4.11Å; W136-F138 HydrophobicContact CB-CE2 3.46Å; W136-F138 VanDerWaalsContact CB-CE2 3.46Å; W136-F138 HydrophobicContact CB-CZ 3.42Å; W136-F138 VanDerWaalsContact CB-CZ 3.42Å; W136-F138 AromaticContact CD1-CE1 3.8Å; W136-F138 AromaticContact CD1-CZ 3.55Å; W136-F138 HydrophobicContact CD2-CZ 4.42Å; W136-F138 HydrophobicContact CG-CE1 4.17Å; W136-F138 HydrophobicContact CG-CE2 4.05Å; W136-F138 AromaticContact CG-CZ 3.52Å; W136-F138 HydrophobicContact CG-CZ 3.52Å; F138-T148 CarbonylContact O-C 3.57Å; F138-T148 VanDerWaalsContact O-CA 3.29Å; F138-T148 WeakPolarHBondContact O-CA 3.32Å; F138-I149 HydrophobicContact CB-CB 4.26Å; F138-I149 HydrophobicContact CD2-CB 4.16Å; F138-I149 HydrophobicContact CD2-CG2 4.07Å; F138-I149 PolarHBondContact N-O 2.89Å; F138-I149 PolarHBondContact O-N 2.94Å; F138-I151 HydrophobicContact CE2-CD1 4.3Å
139	Q	92.3	Very high	88.8	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105.9	169.4	-176.2	174.1	50.4	0	0	108.7	Q119 S120 T145	Q119-Q139 PolarHBondContact N-O 3.17Å; S120-Q139 PolarHBondContact N-O 2.75Å; S120-Q139 PolarHBondContact O-N 2.97Å; S120-Q139 WeakPolarHBondContact OG-CB 3.25Å; S120-Q139 PolarHBondContact OG-OE1 2.68Å; Q139-T145 PolarHBondContact NE2-O 3.38Å
140	P	90.1	Very high	88.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	146.1	172.5	-24.1	37	0	0	0	111.7	Y143 D147 I149 I172	P140-Y143 HydrophobicContact CB-CD2 3.43Å; P140-Y143 VanDerWaalsContact CB-CD2 3.43Å; P140-Y143 HydrophobicContact CB-CE2 4.16Å; P140-Y143 HydrophobicContact CB-CG 4.12Å; P140-Y143 HydrophobicContact CG-CD2 4.39Å; P140-D147 WeakPolarHBondContact CD-O 3.32Å; P140-I149 HydrophobicContact CG-CD1 3.62Å; P140-I149 HydrophobicContact CG-CG1 3.84Å; P140-I172 HydrophobicContact CG-CD1 4.36Å
141	K	86.5	Confident	89	Confident	95 Å²	95	41.2 Å²	41.2	41%	0.413	21%	0.213	S	C	.	.	S	Bend	trans	-79.9	-35.5	-172.2	175.9	-172.1	164.6	-167.7	0	114.7	E117 Q119	E117-K141 HydrophobicContact CB-CB 4.46Å; E117-K141 HydrophobicContact CB-CD 4.23Å; E117-K141 HydrophobicContact CG-CD 3.92Å; E117-K141 WeakPolarHBondContact O-CB 3.16Å; E117-K141 PolarHBondContact O-N 3.38Å; E117-K141 VanDerWaalsContact OE1-CD 3.31Å; E117-K141 WeakPolarHBondContact OE1-CD 3.45Å; E117-K141 IonicContact OE1-NZ 3.57Å; E117-K141 PolarHBondContact OE1-NZ 2.91Å; E117-K141 IonicContact OE2-NZ 2.7Å; E117-K141 PolarHBondContact OE2-NZ 2.85Å; Q119-K141 HydrophobicContact CB-CB 4.16Å
142	D	82.6	Confident	89	Confident	129 Å²	129	40 Å²	40	69%	0.69	21%	0.207	S	C	*	.	S	Bend	trans	-97.3	6.1	-173.8	-64.8	-43	0	0	0	113.5
143	Y	77.2	Confident	89	Confident	51 Å²	51	40 Å²	40	20%	0.2	21%	0.207	C	C	.	.	S	Bend	trans	-111	179.5	-179	-60.7	-97	0	0	0	110.4	P116 P140 E171 I172 E176	P116-Y143 HydrophobicContact CB-CE2 3.98Å; P116-Y143 HydrophobicContact CG-CE2 4.03Å; P140-Y143 HydrophobicContact CB-CD2 3.43Å; P140-Y143 VanDerWaalsContact CB-CD2 3.43Å; P140-Y143 HydrophobicContact CB-CE2 4.16Å; P140-Y143 HydrophobicContact CB-CG 4.12Å; P140-Y143 HydrophobicContact CG-CD2 4.39Å; Y143-E171 HydrophobicContact CD1-CB 4.07Å; Y143-E171 HydrophobicContact CE1-CB 4.1Å; Y143-I172 HydrophobicContact CD1-CG1 4.08Å; Y143-I172 HydrophobicContact CE1-CB 4.3Å; Y143-I172 HydrophobicContact CE1-CG1 3.65Å; Y143-I172 HydrophobicContact CE2-CG1 4.33Å; Y143-E176 PolarHBondContact OH-OE1 3.2Å; Y143-E176 PolarHBondContact OH-OE2 2.88Å
144	S	72.9	Confident	89	Confident	56 Å²	56	40.3 Å²	40.3	39%	0.392	21%	0.209	S	C	.	.			trans	-72.1	155.5	179.6	88.3	0	0	0	0	111.2	E146 D147	S144-E146 PolarHBondContact O-N 3.12Å; S144-E146 PolarHBondContact OG-N 2.76Å; S144-D147 WeakPolarHBondContact CA-OD2 3.2Å; S144-D147 WeakPolarHBondContact CB-OD2 3.36Å; S144-D147 PolarHBondContact N-OD2 2.96Å; S144-D147 WeakPolarHBondContact O-CB 3.25Å; S144-D147 PolarHBondContact O-N 2.79Å; S144-D147 PolarHBondContact OG-OD2 3.42Å
145	T	62	Low	89	Confident	101 Å²	101	40.4 Å²	40.4	62%	0.62	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.5	179.5	47.3	0	0	0	0	113.9	Q139	Q139-T145 PolarHBondContact NE2-O 3.38Å
146	E	69.8	Low	88.9	Confident	156 Å²	156	40.3 Å²	40.3	73%	0.729	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.9	176.6	-60.9	-175.4	-168.9	0	0	112.6	S144 T148 K167	S144-E146 PolarHBondContact O-N 3.12Å; S144-E146 PolarHBondContact OG-N 2.76Å; E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 3.01Å; E146-K167 PolarHBondContact O-NZ 3.23Å
147	D	80.9	Confident	88.8	Confident	34 Å²	34	42.8 Å²	42.8	18%	0.182	23%	0.226	C	C	.	.			trans	-85.5	49.7	-172.1	-64.9	-40.8	0	0	0	113.7	P140 S144 P169	P140-D147 WeakPolarHBondContact CD-O 3.32Å; S144-D147 WeakPolarHBondContact CA-OD2 3.2Å; S144-D147 WeakPolarHBondContact CB-OD2 3.36Å; S144-D147 PolarHBondContact N-OD2 2.96Å; S144-D147 WeakPolarHBondContact O-CB 3.25Å; S144-D147 PolarHBondContact O-N 2.79Å; S144-D147 PolarHBondContact OG-OD2 3.42Å; D147-P169 HydrophobicContact CB-CB 4.13Å; D147-P169 HydrophobicContact CB-CG 3.73Å; D147-P169 WeakPolarHBondContact O-CG 3.28Å
148	T	92.2	Very high	88.6	Confident	36 Å²	36	44.5 Å²	44.5	22%	0.221	23%	0.232	C	C	.	.			trans	-62	139.1	174.8	68.2	0	0	0	0	112.7	F138 E146 N150 K167	F138-T148 CarbonylContact O-C 3.57Å; F138-T148 VanDerWaalsContact O-CA 3.29Å; F138-T148 WeakPolarHBondContact O-CA 3.32Å; E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 3.01Å; T148-N150 PolarHBondContact OG1-OD1 2.81Å; T148-N150 VanDerWaalsContact OG1-OD1 3.09Å; T148-K167 WeakPolarHBondContact O-CD 3.45Å; T148-K167 WeakPolarHBondContact O-CE 3.18Å; T148-K167 WeakPolarHBondContact O-CG 3.43Å; T148-K167 PolarHBondContact O-NZ 2.69Å; T148-K167 PolarHBondContact OG1-NZ 3.36Å
149	I	94.5	Very high	88.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.7	168.6	-57.9	177.4	0	0	0	107.5	M115 S137 F138 P140 I151 K167 I168 I172 L177	M115-I149 HydrophobicContact CE-CG2 4.3Å; M115-I149 HydrophobicContact SD-CD1 3.48Å; M115-I149 WeakPolarHBondContact SD-CD1 3.46Å; M115-I149 HydrophobicContact SD-CG2 3.99Å; S137-I149 CarbonylContact C-O 3.55Å; S137-I149 WeakPolarHBondContact CA-O 3.21Å; F138-I149 HydrophobicContact CB-CB 4.26Å; F138-I149 HydrophobicContact CD2-CB 4.16Å; F138-I149 HydrophobicContact CD2-CG2 4.07Å; F138-I149 PolarHBondContact N-O 2.89Å; F138-I149 PolarHBondContact O-N 2.94Å; P140-I149 HydrophobicContact CG-CD1 3.62Å; P140-I149 HydrophobicContact CG-CG1 3.84Å; I149-I151 HydrophobicContact CG2-CD1 4.06Å; I149-I151 HydrophobicContact CG2-CG1 4.08Å; I149-K167 CarbonylContact C-O 3.51Å; I149-K167 WeakPolarHBondContact CA-O 2.95Å; I149-I168 HydrophobicContact CG2-CD1 3.74Å; I149-I172 HydrophobicContact CD1-CD1 3.51Å; I149-I172 HydrophobicContact CG1-CD1 3.86Å; I149-L177 HydrophobicContact CD1-CD2 4.44Å
150	N	95.6	Very high	88.7	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.171	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	178.6	-64.8	4.1	0	0	0	110.2	W136 S137 T148 E166 K167	W136-N150 WeakPolarHBondContact O-CA 3.46Å; S137-N150 PolarHBondContact OG-OD1 2.83Å; T148-N150 PolarHBondContact OG1-OD1 2.81Å; T148-N150 VanDerWaalsContact OG1-OD1 3.09Å; N150-E166 HydrophobicContact CB-CB 4.02Å; N150-E166 HydrophobicContact CB-CG 4.37Å; N150-E166 PolarHBondContact ND2-OE1 2.8Å; N150-E166 PolarHBondContact O-N 2.79Å; N150-K167 HydrophobicContact CB-CB 3.99Å; N150-K167 PolarHBondContact N-O 2.97Å; N150-K167 PolarHBondContact O-N 2.86Å
151	I	97	Very high	89	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.2	-179.8	-57.7	-178.6	0	0	0	110	F113 M115 R135 W136 F138 I149 Y164 Y165 I168	F113-I151 HydrophobicContact CD1-CD1 3.89Å; F113-I151 HydrophobicContact CD1-CG2 4.24Å; F113-I151 HydrophobicContact CE1-CD1 4.34Å; F113-I151 HydrophobicContact CE1-CG2 3.67Å; F113-I151 HydrophobicContact CE2-CG2 4.44Å; F113-I151 HydrophobicContact CG-CD1 4.3Å; F113-I151 HydrophobicContact CZ-CG2 3.78Å; M115-I151 HydrophobicContact CE-CD1 3.53Å; R135-I151 WeakPolarHBondContact CA-O 3.43Å; W136-I151 PolarHBondContact N-O 3.06Å; W136-I151 PolarHBondContact O-N 3.24Å; F138-I151 HydrophobicContact CE2-CD1 4.3Å; I149-I151 HydrophobicContact CG2-CD1 4.06Å; I149-I151 HydrophobicContact CG2-CG1 4.08Å; I151-Y164 WeakPolarHBondContact CA-O 3.31Å; I151-Y165 HydrophobicContact CD1-CD1 3.8Å; I151-Y165 HydrophobicContact CD1-CE1 3.97Å; I151-Y165 HydrophobicContact CG1-CD1 3.97Å; I151-Y165 HydrophobicContact CG2-CD1 4.34Å; I151-I168 HydrophobicContact CG1-CD1 4.5Å
152	A	97.5	Very high	89.5	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.5	168.6	0	0	0	0	0	111.3	L134 R135 L163 Y164	L134-A152 CarbonylContact O-C 3.6Å; L134-A152 VanDerWaalsContact O-CA 3.22Å; L134-A152 WeakPolarHBondContact O-CA 3.29Å; R135-A152 HydrophobicContact CG-CB 4.16Å; A152-L163 CarbonylContact O-C 3.54Å; A152-L163 WeakPolarHBondContact O-CA 3.49Å; A152-Y164 PolarHBondContact N-O 2.9Å; A152-Y164 PolarHBondContact O-N 2.85Å
153	S	97.9	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.8	168.1	-177.3	0	0	0	0	109.4	A133 L134 S162 L163	A133-S153 CarbonylContact C-O 3.57Å; A133-S153 WeakPolarHBondContact CA-O 3.34Å; L134-S153 PolarHBondContact N-O 2.68Å; L134-S153 PolarHBondContact O-N 2.91Å; S153-S162 CarbonylContact C-O 3.5Å; S153-S162 WeakPolarHBondContact CA-O 3.32Å; S153-L163 WeakPolarHBondContact OG-CD2 3.36Å
154	L	97.7	Very high	91.3	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.8	176.1	-49.9	179.5	0	0	0	108.9	P65 V67 I132 A133 Y156 I161 S162	P65-L154 HydrophobicContact CB-CD1 3.92Å; P65-L154 HydrophobicContact CG-CD1 4Å; V67-L154 HydrophobicContact CG2-CD1 4.14Å; V67-L154 HydrophobicContact CG2-CD2 3.72Å; I132-L154 CarbonylContact O-C 3.58Å; I132-L154 VanDerWaalsContact O-CA 3.32Å; I132-L154 WeakPolarHBondContact O-CA 3.44Å; A133-L154 HydrophobicContact CB-CD2 3.44Å; A133-L154 VanDerWaalsContact CB-CD2 3.44Å; L154-Y156 HydrophobicContact CB-CE2 3.79Å; L154-Y156 VanDerWaalsContact CD1-OH 3.32Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.43Å; L154-I161 CarbonylContact O-C 3.54Å; L154-I161 WeakPolarHBondContact O-CA 3.39Å; L154-S162 PolarHBondContact N-O 3.3Å; L154-S162 PolarHBondContact O-N 2.73Å
155	I	97.7	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.9	176.9	-53.3	170.2	0	0	0	107.9	F84 F86 F96 F106 L131 I132 I161	F84-I155 WeakPolarHBondContact CZ-O 3.34Å; F86-I155 HydrophobicContact CD2-CG2 4.13Å; F86-I155 HydrophobicContact CE1-CG2 4.24Å; F86-I155 HydrophobicContact CE2-CG2 3.78Å; F86-I155 HydrophobicContact CZ-CG2 3.84Å; F96-I155 HydrophobicContact CE2-CD1 4.32Å; F96-I155 HydrophobicContact CZ-CD1 4.22Å; F106-I155 HydrophobicContact CE1-CD1 4.21Å; F106-I155 HydrophobicContact CZ-CD1 3.96Å; L131-I155 CarbonylContact C-O 3.58Å; L131-I155 VanDerWaalsContact CA-O 3.3Å; L131-I155 WeakPolarHBondContact CA-O 3.43Å; L131-I155 WeakPolarHBondContact CB-O 3.31Å; I132-I155 HydrophobicContact CB-CB 4.36Å; I132-I155 PolarHBondContact N-O 2.81Å; I132-I155 PolarHBondContact O-N 2.91Å; I155-I161 HydrophobicContact CG1-CG1 4.46Å
156	Y	96	Very high	94	Very high	63 Å²	63	27.3 Å²	27.3	25%	0.247	14%	0.138	C	C	.	.			trans	-116.1	156.5	-175	-60.3	-89.4	0	0	0	112.5	L131 L154 N158 G159 K160	L131-Y156 HydrophobicContact CB-CD1 4.01Å; L131-Y156 HydrophobicContact CB-CE1 4.15Å; L131-Y156 HydrophobicContact CD2-CE1 3.98Å; L154-Y156 HydrophobicContact CB-CE2 3.79Å; L154-Y156 VanDerWaalsContact CD1-OH 3.32Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.43Å; Y156-N158 WeakPolarHBondContact CB-OD1 3.36Å; Y156-N158 PolarHBondContact O-N 3.49Å; Y156-G159 PolarHBondContact O-N 3.16Å; Y156-K160 HydrophobicContact CD2-CB 4.02Å; Y156-K160 HydrophobicContact CD2-CD 4.25Å; Y156-K160 HydrophobicContact CD2-CG 4.11Å; Y156-K160 PolarHBondContact N-O 3.47Å
157	P	94.5	Very high	95.2	Very high	57 Å²	57	23 Å²	23	37%	0.37	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.2	178.8	-28.4	32.7	0	0	0	116.2	F84 F86 E130 G159	F84-P157 HydrophobicContact CB-CB 4.38Å; F84-P157 HydrophobicContact CB-CG 4.11Å; F84-P157 HydrophobicContact CD1-CG 4.07Å; F84-P157 HydrophobicContact CD2-CB 3.91Å; F84-P157 HydrophobicContact CD2-CG 3.78Å; F84-P157 HydrophobicContact CE1-CG 4.45Å; F84-P157 HydrophobicContact CE2-CB 4.47Å; F84-P157 HydrophobicContact CE2-CG 4.18Å; F84-P157 HydrophobicContact CG-CB 4.19Å; F84-P157 HydrophobicContact CG-CG 3.72Å; F86-P157 WeakPolarHBondContact CB-O 3.38Å; E130-P157 WeakPolarHBondContact O-CD 3.42Å; P157-G159 PolarHBondContact O-N 2.86Å
158	N	91.2	Very high	95.8	Very high	66 Å²	66	21.8 Å²	21.8	35%	0.353	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	9	175.6	69.7	-11.6	0	0	0	114.1	Y156 K160	Y156-N158 WeakPolarHBondContact CB-OD1 3.36Å; Y156-N158 PolarHBondContact O-N 3.49Å; N158-K160 VanDerWaalsContact C-N 3.26Å; N158-K160 PolarHBondContact O-N 3.4Å; N158-K160 WeakPolarHBondContact OD1-CB 3.31Å; N158-K160 PolarHBondContact OD1-N 2.77Å
159	G	93.6	Very high	95.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	77.3	5.9	-177.9	0	0	0	0	0	114.5	Y156 P157 V213	Y156-G159 PolarHBondContact O-N 3.16Å; P157-G159 PolarHBondContact O-N 2.86Å; G159-V213 WeakPolarHBondContact O-CG2 3.49Å
160	K	94.9	Very high	95.4	Very high	19 Å²	19	26.8 Å²	26.8	8%	0.083	14%	0.141	C	C	.	.			trans	-67.1	138.7	172.4	-176.5	179.4	-176	175	0	110.1	Y156 N158 E210 F211 D251	Y156-K160 HydrophobicContact CD2-CB 4.02Å; Y156-K160 HydrophobicContact CD2-CD 4.25Å; Y156-K160 HydrophobicContact CD2-CG 4.11Å; Y156-K160 PolarHBondContact N-O 3.47Å; N158-K160 VanDerWaalsContact C-N 3.26Å; N158-K160 PolarHBondContact O-N 3.4Å; N158-K160 WeakPolarHBondContact OD1-CB 3.31Å; N158-K160 PolarHBondContact OD1-N 2.77Å; K160-E210 VanDerWaalsContact CE-OE1 3.27Å; K160-E210 WeakPolarHBondContact CE-OE1 3.44Å; K160-E210 IonicContact NZ-OE1 3.65Å; K160-E210 PolarHBondContact NZ-OE1 2.86Å; K160-F211 VanDerWaalsContact CA-O 3.31Å; K160-F211 WeakPolarHBondContact CA-O 3.39Å; K160-D251 WeakPolarHBondContact CD-OD2 3.33Å; K160-D251 WeakPolarHBondContact CE-OD2 3.4Å; K160-D251 IonicContact NZ-OD2 2.6Å; K160-D251 PolarHBondContact NZ-OD2 3.02Å
161	I	97.1	Very high	94.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.9	172.2	-57.9	178.5	0	0	0	108.5	Y88 F106 V111 L154 I155 L163 F211	Y88-I161 HydrophobicContact CD2-CD1 3.94Å; Y88-I161 HydrophobicContact CE2-CD1 3.79Å; F106-I161 HydrophobicContact CE2-CD1 4.28Å; F106-I161 HydrophobicContact CZ-CD1 4.27Å; V111-I161 HydrophobicContact CG2-CD1 4.35Å; L154-I161 CarbonylContact O-C 3.54Å; L154-I161 WeakPolarHBondContact O-CA 3.39Å; I155-I161 HydrophobicContact CG1-CG1 4.46Å; I161-L163 HydrophobicContact CG2-CD2 3.71Å; I161-L163 HydrophobicContact CG2-CG 4.41Å; I161-F211 HydrophobicContact CB-CB 4.45Å; I161-F211 PolarHBondContact N-O 2.83Å; I161-F211 PolarHBondContact O-N 2.91Å
162	S	97.5	Very high	94.4	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.3	177.4	-63.7	0	0	0	0	110.5	S153 L154 V209	S153-S162 CarbonylContact C-O 3.5Å; S153-S162 WeakPolarHBondContact CA-O 3.32Å; L154-S162 PolarHBondContact N-O 3.3Å; L154-S162 PolarHBondContact O-N 2.73Å; S162-V209 CarbonylContact C-O 3.53Å; S162-V209 VanDerWaalsContact CA-O 3.3Å; S162-V209 WeakPolarHBondContact CA-O 3.5Å
163	L	98	Very high	93.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	177.8	-48.5	-174.4	0	0	0	109.5	V111 F113 A152 S153 I161 T179 I181 L208 V209 F211	V111-L163 HydrophobicContact CG1-CD1 4.24Å; F113-L163 HydrophobicContact CE1-CD1 3.98Å; F113-L163 HydrophobicContact CZ-CD1 4.25Å; F113-L163 HydrophobicContact CZ-CD2 4.13Å; A152-L163 CarbonylContact O-C 3.54Å; A152-L163 WeakPolarHBondContact O-CA 3.49Å; S153-L163 WeakPolarHBondContact OG-CD2 3.36Å; I161-L163 HydrophobicContact CG2-CD2 3.71Å; I161-L163 HydrophobicContact CG2-CG 4.41Å; L163-T179 HydrophobicContact CD1-CG2 3.62Å; L163-I181 HydrophobicContact CD1-CD1 4.43Å; L163-L208 CarbonylContact O-C 3.59Å; L163-L208 WeakPolarHBondContact O-CA 3.39Å; L163-V209 HydrophobicContact CB-CB 4.49Å; L163-V209 PolarHBondContact N-O 2.84Å; L163-V209 PolarHBondContact O-N 3.14Å; L163-F211 HydrophobicContact CD1-CE2 3.79Å; L163-F211 HydrophobicContact CG-CD2 4.49Å; L163-F211 HydrophobicContact CG-CE2 4.04Å
164	Y	98.1	Very high	93.3	Very high	15 Å²	15	40 Å²	40	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.4	178.5	-175.6	-104.5	0	0	0	111.1	Q62 H64 P65 I151 A152 E166 T207 L208	Q62-Y164 HydrophobicContact CB-CE2 4.29Å; Q62-Y164 WeakPolarHBondContact O-CE2 3.37Å; Q62-Y164 PolarHBondContact O-OH 3.18Å; H64-Y164 HydrophobicContact CB-CD1 4.5Å; H64-Y164 HydrophobicContact CB-CE1 3.74Å; H64-Y164 PolarHBondContact N-OH 2.89Å; H64-Y164 VanDerWaalsContact N-OH 3.17Å; H64-Y164 AromaticContact ND1-CD1 3.98Å; H64-Y164 AromaticContact ND1-CE1 3.84Å; P65-Y164 HydrophobicContact CG-CG 4.19Å; I151-Y164 WeakPolarHBondContact CA-O 3.31Å; A152-Y164 PolarHBondContact N-O 2.9Å; A152-Y164 PolarHBondContact O-N 2.85Å; Y164-E166 HydrophobicContact CD1-CB 3.88Å; Y164-E166 VanDerWaalsContact CE1-CA 3.48Å; Y164-E166 HydrophobicContact CE1-CB 3.7Å; Y164-E166 HydrophobicContact CE1-CG 4.14Å; Y164-E166 PolarHBondContact O-N 2.75Å; Y164-T207 WeakPolarHBondContact CA-O 3.5Å; Y164-T207 WeakPolarHBondContact CD2-O 3.27Å; Y164-L208 HydrophobicContact CD2-CB 4.13Å; Y164-L208 HydrophobicContact CD2-CD1 4.2Å
165	Y	97.1	Very high	92.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	93.4	173.8	-53.9	-75.5	0	0	0	108.3	F113 I151 I168 T179 V198 I203 S205 G206 T207 V209	F113-Y165 HydrophobicContact CE1-CE1 4.45Å; I151-Y165 HydrophobicContact CD1-CD1 3.8Å; I151-Y165 HydrophobicContact CD1-CE1 3.97Å; I151-Y165 HydrophobicContact CG1-CD1 3.97Å; I151-Y165 HydrophobicContact CG2-CD1 4.34Å; Y165-I168 HydrophobicContact CD1-CD1 4.11Å; Y165-T179 VanDerWaalsContact OH-CB 3.29Å; Y165-T179 WeakPolarHBondContact OH-CB 3.49Å; Y165-T179 WeakPolarHBondContact OH-CG2 3.25Å; Y165-T179 PolarHBondContact OH-OG1 2.63Å; Y165-V198 HydrophobicContact CE2-CG1 4.35Å; Y165-I203 HydrophobicContact CD1-CG2 3.75Å; Y165-I203 HydrophobicContact CE1-CG1 4.41Å; Y165-I203 HydrophobicContact CE1-CG2 3.7Å; Y165-I203 HydrophobicContact CE2-CG1 4.29Å; Y165-I203 HydrophobicContact CG-CG2 4.22Å; Y165-S205 CarbonylContact O-C 3.58Å; Y165-S205 WeakPolarHBondContact O-CA 3.34Å; Y165-G206 PolarHBondContact O-N 2.75Å; Y165-T207 HydrophobicContact CD2-CG2 4.31Å; Y165-T207 PolarHBondContact N-O 3.47Å; Y165-T207 PolarHBondContact O-N 2.83Å; Y165-V209 HydrophobicContact CE2-CG2 3.78Å
166	E	95.6	Very high	92.3	Very high	72 Å²	72	50.4 Å²	50.4	34%	0.336	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-53.6	-176.2	179.2	-175.3	115.2	0	0	111	H64 N150 Y164 S205	H64-E166 IonicContact CE1-OE2 3.28Å; H64-E166 PolarHBondContact CE1-OE2 3.28Å; H64-E166 IonicContact ND1-OE2 2.7Å; H64-E166 PolarHBondContact ND1-OE2 3.14Å; N150-E166 HydrophobicContact CB-CB 4.02Å; N150-E166 HydrophobicContact CB-CG 4.37Å; N150-E166 PolarHBondContact ND2-OE1 2.8Å; N150-E166 PolarHBondContact O-N 2.79Å; Y164-E166 HydrophobicContact CD1-CB 3.88Å; Y164-E166 VanDerWaalsContact CE1-CA 3.48Å; Y164-E166 HydrophobicContact CE1-CB 3.7Å; Y164-E166 HydrophobicContact CE1-CG 4.14Å; Y164-E166 PolarHBondContact O-N 2.75Å; E166-S205 WeakPolarHBondContact O-CB 3.46Å
167	K	94	Very high	92.1	Very high	67 Å²	67	47.7 Å²	47.7	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117	179.6	-178.2	-174.4	165	-163.8	0	109.4	E146 T148 I149 N150	E146-K167 PolarHBondContact O-NZ 3.23Å; T148-K167 WeakPolarHBondContact O-CD 3.45Å; T148-K167 WeakPolarHBondContact O-CE 3.18Å; T148-K167 WeakPolarHBondContact O-CG 3.43Å; T148-K167 PolarHBondContact O-NZ 2.69Å; T148-K167 PolarHBondContact OG1-NZ 3.36Å; I149-K167 CarbonylContact C-O 3.51Å; I149-K167 WeakPolarHBondContact CA-O 2.95Å; N150-K167 HydrophobicContact CB-CB 3.99Å; N150-K167 PolarHBondContact N-O 2.97Å; N150-K167 PolarHBondContact O-N 2.86Å
168	I	93.7	Very high	92	Very high	8 Å²	8	47 Å²	47	4%	0.041	23%	0.233	C	C	.	.			trans	-121.4	121	165.1	-50.4	-60.6	0	0	0	105.9	I149 I151 Y165 L177 I203 S205	I149-I168 HydrophobicContact CG2-CD1 3.74Å; I151-I168 HydrophobicContact CG1-CD1 4.5Å; Y165-I168 HydrophobicContact CD1-CD1 4.11Å; I168-L177 HydrophobicContact CG2-CD1 3.58Å; I168-I203 HydrophobicContact CD1-CG2 4.18Å; I168-I203 HydrophobicContact CG1-CG2 4.35Å; I168-S205 PolarHBondContact N-OG 3.03Å; I168-S205 PolarHBondContact O-OG 2.78Å
169	P	91.7	Very high	92.3	Very high	12 Å²	12	43.9 Å²	43.9	8%	0.078	22%	0.216	C	C	.	.			trans	-56	149.4	172.6	-23.2	32.4	0	0	0	112.1	D147 E171 I172	D147-P169 HydrophobicContact CB-CB 4.13Å; D147-P169 HydrophobicContact CB-CG 3.73Å; D147-P169 WeakPolarHBondContact O-CG 3.28Å; P169-E171 WeakPolarHBondContact CB-OE2 3.08Å; P169-E171 PolarHBondContact O-N 3.37Å; P169-I172 HydrophobicContact CB-CD1 4.29Å; P169-I172 HydrophobicContact CB-CG1 4.26Å; P169-I172 HydrophobicContact CG-CD1 4.03Å
170	T	87.7	Confident	92.4	Very high	128 Å²	128	45.1 Å²	45.1	79%	0.785	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.1	-179	30	0	0	0	0	114
171	E	85.2	Confident	92.5	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-18.7	-170.6	-64.4	58.6	-126.2	0	0	112.1	Y143 P169	Y143-E171 HydrophobicContact CD1-CB 4.07Å; Y143-E171 HydrophobicContact CE1-CB 4.1Å; P169-E171 WeakPolarHBondContact CB-OE2 3.08Å; P169-E171 PolarHBondContact O-N 3.37Å
172	I	85.8	Confident	92.4	Very high	14 Å²	14	45 Å²	45	7%	0.072	22%	0.223	C	C	.	.	S	Bend	trans	-77.1	133.6	177.3	-52.5	176.8	0	0	0	108.9	P116 P140 Y143 I149 P169 E176 L177	P116-I172 HydrophobicContact CG-CD1 4.46Å; P116-I172 HydrophobicContact CG-CG2 3.69Å; P140-I172 HydrophobicContact CG-CD1 4.36Å; Y143-I172 HydrophobicContact CD1-CG1 4.08Å; Y143-I172 HydrophobicContact CE1-CB 4.3Å; Y143-I172 HydrophobicContact CE1-CG1 3.65Å; Y143-I172 HydrophobicContact CE2-CG1 4.33Å; I149-I172 HydrophobicContact CD1-CD1 3.51Å; I149-I172 HydrophobicContact CG1-CD1 3.86Å; P169-I172 HydrophobicContact CB-CD1 4.29Å; P169-I172 HydrophobicContact CB-CG1 4.26Å; P169-I172 HydrophobicContact CG-CD1 4.03Å; I172-E176 HydrophobicContact CG2-CB 3.93Å; I172-L177 HydrophobicContact CB-CD1 4.33Å; I172-L177 HydrophobicContact CG2-CD1 3.95Å; I172-L177 HydrophobicContact CG2-CD2 4.02Å; I172-L177 HydrophobicContact CG2-CG 3.76Å
173	Q	85.3	Confident	92.2	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	22%	0.222	S	C	*	.			trans	-73.8	149.8	178.8	-61.6	160.3	104.7	0	0	110.2	E175 E176	Q173-E175 PolarHBondContact O-N 2.95Å; Q173-E176 HydrophobicContact CB-CG 4.12Å; Q173-E176 VanDerWaalsContact CB-OE2 3.24Å; Q173-E176 WeakPolarHBondContact CB-OE2 3.41Å; Q173-E176 WeakPolarHBondContact CG-OE2 3.25Å; Q173-E176 PolarHBondContact N-OE2 2.95Å; Q173-E176 VanDerWaalsContact NE2-CD 3.33Å; Q173-E176 PolarHBondContact NE2-OE2 3.48Å; Q173-E176 PolarHBondContact O-N 2.84Å
174	E	87.3	Confident	91.9	Very high	78 Å²	78	49 Å²	49	36%	0.364	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.3	-32.1	-178.9	-61.8	-173.9	-179.9	0	0	110.7	E176 L177 S200 K201 K204	E174-E176 PolarHBondContact O-N 2.81Å; E174-L177 PolarHBondContact O-N 2.96Å; E174-L177 VanDerWaalsContact O-O 3.13Å; E174-S200 WeakPolarHBondContact O-CB 3.31Å; E174-S200 PolarHBondContact O-OG 2.87Å; E174-K201 WeakPolarHBondContact OE2-CA 3.43Å; E174-K201 VanDerWaalsContact OE2-CB 3.25Å; E174-K201 WeakPolarHBondContact OE2-CB 3.4Å; E174-K201 PolarHBondContact OE2-N 3.29Å; E174-K204 VanDerWaalsContact OE1-CE 3.24Å; E174-K204 WeakPolarHBondContact OE1-CE 3.36Å; E174-K204 IonicContact OE1-NZ 3.01Å; E174-K204 PolarHBondContact OE1-NZ 3.03Å
175	E	86.1	Confident	91.4	Very high	167 Å²	167	49.4 Å²	49.4	78%	0.78	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-68.7	-12.6	177.3	-60.9	83.5	173.3	0	0	114.6	Q173	Q173-E175 PolarHBondContact O-N 2.95Å
176	E	88.1	Confident	90.8	Very high	59 Å²	59	54.7 Å²	54.7	28%	0.276	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-95.6	-4.3	178.1	-59	176	102.3	0	0	112.7	M115 P116 Y143 I172 Q173 E174	M115-E176 CarbonylContact C-O 3.57Å; P116-E176 HydrophobicContact CG-CB 4.03Å; Y143-E176 PolarHBondContact OH-OE1 3.2Å; Y143-E176 PolarHBondContact OH-OE2 2.88Å; I172-E176 HydrophobicContact CG2-CB 3.93Å; Q173-E176 HydrophobicContact CB-CG 4.12Å; Q173-E176 VanDerWaalsContact CB-OE2 3.24Å; Q173-E176 WeakPolarHBondContact CB-OE2 3.41Å; Q173-E176 WeakPolarHBondContact CG-OE2 3.25Å; Q173-E176 PolarHBondContact N-OE2 2.95Å; Q173-E176 VanDerWaalsContact NE2-CD 3.33Å; Q173-E176 PolarHBondContact NE2-OE2 3.48Å; Q173-E176 PolarHBondContact O-N 2.84Å; E174-E176 PolarHBondContact O-N 2.81Å
177	L	91.6	Very high	90.2	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.261	C	S	.	.			trans	-120.3	121	-177.3	-63.5	173.5	0	0	0	110	M115 I149 I168 I172 E174 S200 I203	M115-L177 HydrophobicContact CE-CD2 4.08Å; M115-L177 HydrophobicContact SD-CD2 3.42Å; M115-L177 WeakPolarHBondContact SD-CD2 3.24Å; I149-L177 HydrophobicContact CD1-CD2 4.44Å; I168-L177 HydrophobicContact CG2-CD1 3.58Å; I172-L177 HydrophobicContact CB-CD1 4.33Å; I172-L177 HydrophobicContact CG2-CD1 3.95Å; I172-L177 HydrophobicContact CG2-CD2 4.02Å; I172-L177 HydrophobicContact CG2-CG 3.76Å; E174-L177 PolarHBondContact O-N 2.96Å; E174-L177 VanDerWaalsContact O-O 3.13Å; L177-S200 WeakPolarHBondContact O-CB 3.17Å; L177-S200 PolarHBondContact O-OG 2.87Å; L177-I203 HydrophobicContact CB-CD1 4.42Å; L177-I203 HydrophobicContact CB-CG2 4.24Å; L177-I203 HydrophobicContact CD1-CG2 4.21Å
178	D	92.9	Very high	89.7	Confident	43 Å²	43	53.6 Å²	53.6	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.2	171.8	170.5	47.2	0	0	0	110	T114 T197	T114-D178 PolarHBondContact N-O 3.42Å; T114-D178 PolarHBondContact O-N 3.36Å; D178-T197 VanDerWaalsContact OD1-CG2 3.25Å; D178-T197 WeakPolarHBondContact OD1-CG2 3.2Å
179	T	97	Very high	89.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	108	175.3	-62.7	0	0	0	0	108.8	T112 F113 L163 Y165 V198	T112-T179 WeakPolarHBondContact O-CA 3.43Å; F113-T179 HydrophobicContact CD1-CG2 3.68Å; F113-T179 WeakPolarHBondContact CD1-OG1 3.28Å; F113-T179 HydrophobicContact CE1-CG2 3.67Å; L163-T179 HydrophobicContact CD1-CG2 3.62Å; Y165-T179 VanDerWaalsContact OH-CB 3.29Å; Y165-T179 WeakPolarHBondContact OH-CB 3.49Å; Y165-T179 WeakPolarHBondContact OH-CG2 3.25Å; Y165-T179 PolarHBondContact OH-OG1 2.63Å; T179-V198 HydrophobicContact CG2-CG2 4.16Å; T179-V198 PolarHBondContact O-N 3.1Å
180	L	96.1	Very high	88.8	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.1	-173	168.9	64.3	0	0	0	110.1	V111 T112 T182 E195	V111-L180 WeakPolarHBondContact CA-O 3.32Å; T112-L180 HydrophobicContact CG2-CB 3.85Å; T112-L180 HydrophobicContact CG2-CD2 4.33Å; T112-L180 HydrophobicContact CG2-CG 4.39Å; T112-L180 PolarHBondContact N-O 3.45Å; T112-L180 PolarHBondContact O-N 3.17Å; T112-L180 VanDerWaalsContact O-N 3.1Å; L180-T182 HydrophobicContact CD2-CG2 4.42Å; L180-T182 HydrophobicContact CG-CG2 4.44Å; L180-E195 HydrophobicContact CD1-CB 3.63Å; L180-E195 HydrophobicContact CD1-CG 3.92Å
181	I	96.5	Very high	88.7	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.5	166.2	-55.2	-158	0	0	0	108.4	Y88 Y89 L110 V111 L163 I196 F211	Y88-I181 HydrophobicContact CE2-CG2 4.3Å; Y88-I181 WeakPolarHBondContact OH-CG2 3.44Å; Y89-I181 HydrophobicContact CE2-CG2 4.13Å; L110-I181 WeakPolarHBondContact O-CA 3.38Å; V111-I181 HydrophobicContact CB-CG1 4.46Å; V111-I181 HydrophobicContact CG1-CD1 4.33Å; V111-I181 HydrophobicContact CG1-CG1 4.15Å; V111-I181 HydrophobicContact CG2-CB 4.43Å; V111-I181 HydrophobicContact CG2-CD1 3.84Å; V111-I181 HydrophobicContact CG2-CG1 3.88Å; V111-I181 HydrophobicContact CG2-CG2 4.15Å; L163-I181 HydrophobicContact CD1-CD1 4.43Å; I181-I196 HydrophobicContact CB-CB 4.38Å; I181-I196 PolarHBondContact N-O 3.33Å; I181-I196 PolarHBondContact O-N 2.87Å; I181-F211 HydrophobicContact CD1-CD1 3.91Å; I181-F211 HydrophobicContact CD1-CD2 3.45Å; I181-F211 VanDerWaalsContact CD1-CD2 3.45Å; I181-F211 HydrophobicContact CD1-CE1 3.8Å; I181-F211 HydrophobicContact CD1-CE2 3.33Å; I181-F211 HydrophobicContact CD1-CG 3.73Å; I181-F211 HydrophobicContact CD1-CZ 3.51Å; I181-F211 HydrophobicContact CG1-CE1 4.3Å; I181-F211 HydrophobicContact CG1-CE2 4.28Å; I181-F211 HydrophobicContact CG1-CZ 4.04Å
182	T	95.4	Very high	88.8	Confident	17 Å²	17	58 Å²	58	10%	0.104	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.9	179.8	-175.5	0	0	0	0	111.7	Y88 G109 L110 L180 P194	Y88-T182 PolarHBondContact OH-O 3.33Å; Y88-T182 VanDerWaalsContact OH-O 3.04Å; G109-T182 CarbonylContact C-O 3.53Å; G109-T182 VanDerWaalsContact CA-O 3.22Å; G109-T182 WeakPolarHBondContact CA-O 3.39Å; L110-T182 HydrophobicContact CD1-CG2 3.85Å; L110-T182 HydrophobicContact CG-CG2 3.9Å; L110-T182 PolarHBondContact N-O 3.37Å; L110-T182 PolarHBondContact O-N 3.48Å; L180-T182 HydrophobicContact CD2-CG2 4.42Å; L180-T182 HydrophobicContact CG-CG2 4.44Å; T182-P194 VanDerWaalsContact CA-O 3.31Å; T182-P194 WeakPolarHBondContact CA-O 3.49Å; T182-P194 WeakPolarHBondContact CB-O 3.49Å; T182-P194 PolarHBondContact OG1-O 3.46Å
183	G	93.5	Very high	89.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	157.6	174.1	0	0	0	0	0	113.5	V108 P194	V108-G183 CarbonylContact O-C 3.59Å; V108-G183 WeakPolarHBondContact O-CA 3.37Å; G183-P194 WeakPolarHBondContact O-CD 3.23Å; G183-P194 WeakPolarHBondContact O-CG 3.4Å
184	E	91.2	Very high	89.3	Confident	90 Å²	90	56.4 Å²	56.4	42%	0.421	30%	0.297	S	S	.	.			trans	-74.4	128	-173.8	-170.3	179.9	85.7	0	0	111.7	V108 P191	V108-E184 HydrophobicContact CB-CB 4.36Å; V108-E184 PolarHBondContact O-N 3.43Å; E184-P191 HydrophobicContact CG-CB 3.6Å; E184-P191 WeakPolarHBondContact OE2-CB 3.43Å
185	V	87.7	Confident	89.6	Confident	22 Å²	22	58.6 Å²	58.6	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.3	173.4	179.7	0	0	0	0	108.8	K53 Y89 C187 I192 P194	K53-V185 HydrophobicContact CG-CG2 4.2Å; Y89-V185 HydrophobicContact CD1-CG2 3.77Å; Y89-V185 HydrophobicContact CE1-CG2 4.4Å; V185-C187 PolarHBondContact O-N 3.29Å; V185-I192 HydrophobicContact CB-CG1 4.26Å; V185-I192 PolarHBondContact N-O 3.49Å; V185-I192 WeakPolarHBondContact O-CG1 3.35Å; V185-I192 PolarHBondContact O-N 3.15Å; V185-P194 HydrophobicContact CG2-CG 3.86Å
186	M	85.2	Confident	90	Very high	112 Å²	112	50.8 Å²	50.8	55%	0.552	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	117.5	178.4	-65.5	-56.9	-56.2	0	0	111.7	S189 P191	M186-S189 VanDerWaalsContact CE-C 3.42Å; M186-S189 VanDerWaalsContact CE-O 3.32Å; M186-S189 WeakPolarHBondContact CE-O 3.39Å; M186-P191 HydrophobicContact SD-CB 4.06Å
187	C	82.9	Confident	90.4	Very high	16 Å²	16	51 Å²	51	11%	0.108	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.3	173.4	-148.5	0	0	0	0	111.2	C30 V185 S189 E190 I192	C30-C187 WeakPolarHBondContact CA-SG 3.3Å; C30-C187 HydrophobicContact CB-CB 3.89Å; C30-C187 WeakPolarHBondContact CB-SG 3.44Å; C30-C187 WeakPolarHBondContact SG-CB 3.39Å; C30-C187 CovalentContact SG-SG 2.04Å; C30-C187 PolarHBondContact SG-SG 2.94Å; V185-C187 PolarHBondContact O-N 3.29Å; C187-S189 PolarHBondContact O-N 3.21Å; C187-E190 PolarHBondContact N-O 2.81Å; C187-E190 PolarHBondContact O-N 3.28Å; C187-I192 HydrophobicContact CB-CD1 4.06Å; C187-I192 HydrophobicContact CB-CG1 4.1Å
188	N	82.7	Confident	90.6	Very high	99 Å²	99	50.7 Å²	50.7	53%	0.529	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	20.9	-174.9	-68.9	-17.5	0	0	0	116.4	C30	C30-N188 VanDerWaalsContact SG-CG 3.52Å; C30-N188 PolarHBondContact SG-ND2 2.81Å; C30-N188 VanDerWaalsContact SG-ND2 3.36Å
189	S	81	Confident	90.6	Very high	110 Å²	110	50.1 Å²	50.1	77%	0.769	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	7.5	-173.9	-27	0	0	0	0	115.9	M186 C187	M186-S189 VanDerWaalsContact CE-C 3.42Å; M186-S189 VanDerWaalsContact CE-O 3.32Å; M186-S189 WeakPolarHBondContact CE-O 3.39Å; C187-S189 PolarHBondContact O-N 3.21Å
190	E	85.1	Confident	90.4	Very high	145 Å²	145	51.6 Å²	51.6	68%	0.678	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.6	166.4	-59.5	-172.7	153.9	0	0	109.2	C187	C187-E190 PolarHBondContact N-O 2.81Å; C187-E190 PolarHBondContact O-N 3.28Å
191	P	86.2	Confident	90.3	Very high	75 Å²	75	54.8 Å²	54.8	49%	0.487	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.8	172.3	29.2	-32.1	0	0	0	109.9	E184 M186	E184-P191 HydrophobicContact CG-CB 3.6Å; E184-P191 WeakPolarHBondContact OE2-CB 3.43Å; M186-P191 HydrophobicContact SD-CB 4.06Å
192	I	88.2	Confident	90.2	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.097	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144	165.6	59.5	163.4	0	0	0	109.4	L33 Q34 V185 C187 P194	L33-I192 HydrophobicContact CB-CD1 3.68Å; Q34-I192 HydrophobicContact CG-CB 4.15Å; Q34-I192 HydrophobicContact CG-CD1 4.13Å; Q34-I192 HydrophobicContact CG-CG2 4.34Å; V185-I192 HydrophobicContact CB-CG1 4.26Å; V185-I192 PolarHBondContact N-O 3.49Å; V185-I192 WeakPolarHBondContact O-CG1 3.35Å; V185-I192 PolarHBondContact O-N 3.15Å; C187-I192 HydrophobicContact CB-CD1 4.06Å; C187-I192 HydrophobicContact CB-CG1 4.1Å; I192-P194 WeakPolarHBondContact O-CD 3.32Å
193	N	90.3	Very high	90.2	Very high	93 Å²	93	54.5 Å²	54.5	50%	0.497	29%	0.294	S	S	.	.			trans	-110.2	88.5	178	-62.6	-8	0	0	0	108.4
194	P	91.3	Very high	90.2	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.026	31%	0.309	C	S	.	.			trans	-52.7	142.4	163.6	22.5	-36.2	0	0	0	111.3	N52 Y89 T182 G183 V185 I192	N52-P194 HydrophobicContact CB-CB 4.13Å; Y89-P194 HydrophobicContact CD1-CG 4.27Å; Y89-P194 HydrophobicContact CE1-CB 4.43Å; Y89-P194 HydrophobicContact CE1-CG 3.6Å; T182-P194 VanDerWaalsContact CA-O 3.31Å; T182-P194 WeakPolarHBondContact CA-O 3.49Å; T182-P194 WeakPolarHBondContact CB-O 3.49Å; T182-P194 PolarHBondContact OG1-O 3.46Å; G183-P194 WeakPolarHBondContact O-CD 3.23Å; G183-P194 WeakPolarHBondContact O-CG 3.4Å; V185-P194 HydrophobicContact CG2-CG 3.86Å; I192-P194 WeakPolarHBondContact O-CD 3.32Å
195	E	93	Very high	90.4	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.2	179	-70	-173.8	173.4	0	0	109.2	L180	L180-E195 HydrophobicContact CD1-CB 3.63Å; L180-E195 HydrophobicContact CD1-CG 3.92Å
196	I	94.8	Very high	90.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	105.2	177.6	-51.7	173.5	0	0	0	108.2	H51 Y54 M56 Y89 I181 F211	H51-I196 HydrophobicContact CB-CD1 3.59Å; H51-I196 HydrophobicContact CB-CG1 3.85Å; Y54-I196 HydrophobicContact CD2-CD1 4.21Å; Y54-I196 HydrophobicContact CG-CD1 4.44Å; M56-I196 HydrophobicContact SD-CG2 4.45Å; Y89-I196 WeakPolarHBondContact OH-CD1 3.18Å; I181-I196 HydrophobicContact CB-CB 4.38Å; I181-I196 PolarHBondContact N-O 3.33Å; I181-I196 PolarHBondContact O-N 2.87Å; I196-F211 HydrophobicContact CG2-CD1 4.45Å; I196-F211 HydrophobicContact CG2-CE1 3.79Å
197	T	95.2	Very high	91.4	Very high	62 Å²	62	50.5 Å²	50.5	38%	0.38	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.2	176.4	-76.5	0	0	0	0	111.1	D178 P199	D178-T197 VanDerWaalsContact OD1-CG2 3.25Å; D178-T197 WeakPolarHBondContact OD1-CG2 3.2Å; T197-P199 VanDerWaalsContact O-CD 3.31Å; T197-P199 WeakPolarHBondContact O-CD 3.38Å
198	V	96	Very high	92.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.			trans	-74.2	113.6	162.7	-178	0	0	0	0	108.2	M56 I58 Y165 T179 S200 W202 I203 V209 F211	M56-V198 HydrophobicContact SD-CG2 4.17Å; I58-V198 HydrophobicContact CD1-CG1 4.33Å; Y165-V198 HydrophobicContact CE2-CG1 4.35Å; T179-V198 HydrophobicContact CG2-CG2 4.16Å; T179-V198 PolarHBondContact O-N 3.1Å; V198-S200 PolarHBondContact O-N 3.21Å; V198-W202 HydrophobicContact CG1-CB 4.47Å; V198-I203 HydrophobicContact CB-CD1 4.33Å; V198-I203 HydrophobicContact CB-CG1 4.39Å; V198-I203 HydrophobicContact CG1-CD1 4.3Å; V198-I203 HydrophobicContact CG1-CG1 3.81Å; V198-V209 HydrophobicContact CG1-CG2 3.96Å; V198-V209 HydrophobicContact CG2-CG1 4.15Å; V198-V209 HydrophobicContact CG2-CG2 4.38Å; V198-F211 HydrophobicContact CG2-CE2 4.47Å; V198-F211 HydrophobicContact CG2-CZ 3.8Å
199	P	93.6	Very high	92.9	Very high	31 Å²	31	46 Å²	46	20%	0.201	25%	0.254	C	S	.	.			trans	-66.2	124.2	-173.4	-17.4	29.9	0	0	0	110.6	T197 K201 W202	T197-P199 VanDerWaalsContact O-CD 3.31Å; T197-P199 WeakPolarHBondContact O-CD 3.38Å; P199-K201 PolarHBondContact O-N 2.85Å; P199-W202 WeakPolarHBondContact O-CB 3.47Å; P199-W202 VanDerWaalsContact O-CD1 3.25Å; P199-W202 PolarHBondContact O-N 3.02Å
200	S	93.1	Very high	93.6	Very high	31 Å²	31	41 Å²	41	22%	0.217	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.8	-28.5	-161	-41.9	0	0	0	0	115.8	E174 L177 V198 W202 I203	E174-S200 WeakPolarHBondContact O-CB 3.31Å; E174-S200 PolarHBondContact O-OG 2.87Å; L177-S200 WeakPolarHBondContact O-CB 3.17Å; L177-S200 PolarHBondContact O-OG 2.87Å; V198-S200 PolarHBondContact O-N 3.21Å; S200-W202 PolarHBondContact O-N 3.42Å; S200-I203 WeakPolarHBondContact O-CB 3.3Å; S200-I203 PolarHBondContact O-N 3.06Å
201	K	92.9	Very high	94.1	Very high	95 Å²	95	34.2 Å²	34.2	41%	0.413	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-51.6	-22.3	170.5	72.1	177.8	-171.8	176.7	0	115.1	E42 E174 P199 K204	E42-K201 IonicContact OE1-NZ 2.84Å; E42-K201 PolarHBondContact OE1-NZ 2.87Å; E174-K201 WeakPolarHBondContact OE2-CA 3.43Å; E174-K201 VanDerWaalsContact OE2-CB 3.25Å; E174-K201 WeakPolarHBondContact OE2-CB 3.4Å; E174-K201 PolarHBondContact OE2-N 3.29Å; P199-K201 PolarHBondContact O-N 2.85Å; K201-K204 WeakPolarHBondContact O-CE 3.49Å; K201-K204 PolarHBondContact O-NZ 2.92Å
202	W	94.7	Very high	94.5	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.038	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-89.7	-24.8	175.9	-63.3	103.9	0	0	0	113.6	E42 N43 R47 I58 R60 V198 P199 S200 K204 T207	E42-W202 HydrophobicContact CG-CH2 4.45Å; E42-W202 HydrophobicContact CG-CZ2 3.84Å; N43-W202 WeakPolarHBondContact O-CH2 3.41Å; R47-W202 HydrophobicContact CB-CH2 4.13Å; R47-W202 HydrophobicContact CB-CZ2 3.72Å; I58-W202 HydrophobicContact CB-CD2 4.4Å; I58-W202 HydrophobicContact CB-CE3 4.35Å; I58-W202 HydrophobicContact CD1-CB 4.11Å; I58-W202 HydrophobicContact CD1-CD2 4.1Å; I58-W202 HydrophobicContact CD1-CG 3.69Å; I58-W202 HydrophobicContact CG2-CB 3.97Å; I58-W202 HydrophobicContact CG2-CD2 3.73Å; I58-W202 HydrophobicContact CG2-CE3 3.5Å; I58-W202 VanDerWaalsContact CG2-CE3 3.5Å; I58-W202 HydrophobicContact CG2-CG 3.94Å; I58-W202 HydrophobicContact CG2-CZ3 4.25Å; R60-W202 HydrophobicContact CG-CE3 3.75Å; R60-W202 HydrophobicContact CG-CZ3 3.64Å; R60-W202 PolarHBondContact NH1-O 3.39Å; V198-W202 HydrophobicContact CG1-CB 4.47Å; P199-W202 WeakPolarHBondContact O-CB 3.47Å; P199-W202 VanDerWaalsContact O-CD1 3.25Å; P199-W202 PolarHBondContact O-N 3.02Å; S200-W202 PolarHBondContact O-N 3.42Å; W202-K204 VanDerWaalsContact C-N 3.29Å; W202-K204 PolarHBondContact O-N 2.83Å; W202-T207 WeakPolarHBondContact O-CG2 3.33Å; W202-T207 PolarHBondContact O-OG1 2.85Å; W202-T207 VanDerWaalsContact O-OG1 3.12Å
203	I	95.5	Very high	94.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.161	C	C	.	.			trans	-74	77.1	-175.9	-55.3	179.1	0	0	0	109.8	Y165 I168 L177 V198 S200	Y165-I203 HydrophobicContact CD1-CG2 3.75Å; Y165-I203 HydrophobicContact CE1-CG1 4.41Å; Y165-I203 HydrophobicContact CE1-CG2 3.7Å; Y165-I203 HydrophobicContact CE2-CG1 4.29Å; Y165-I203 HydrophobicContact CG-CG2 4.22Å; I168-I203 HydrophobicContact CD1-CG2 4.18Å; I168-I203 HydrophobicContact CG1-CG2 4.35Å; L177-I203 HydrophobicContact CB-CD1 4.42Å; L177-I203 HydrophobicContact CB-CG2 4.24Å; L177-I203 HydrophobicContact CD1-CG2 4.21Å; V198-I203 HydrophobicContact CB-CD1 4.33Å; V198-I203 HydrophobicContact CB-CG1 4.39Å; V198-I203 HydrophobicContact CG1-CD1 4.3Å; V198-I203 HydrophobicContact CG1-CG1 3.81Å; S200-I203 WeakPolarHBondContact O-CB 3.3Å; S200-I203 PolarHBondContact O-N 3.06Å
204	K	94.8	Very high	94.7	Very high	78 Å²	78	26.2 Å²	26.2	34%	0.339	14%	0.14	S	C	.	.	S	Bend	trans	-145.6	156.5	174.7	-29	174.6	171.1	169.4	0	110.1	R60 E174 K201 W202 T207	R60-K204 VanDerWaalsContact NH1-CB 3.26Å; R60-K204 PolarHBondContact NH1-O 3.42Å; E174-K204 VanDerWaalsContact OE1-CE 3.24Å; E174-K204 WeakPolarHBondContact OE1-CE 3.36Å; E174-K204 IonicContact OE1-NZ 3.01Å; E174-K204 PolarHBondContact OE1-NZ 3.03Å; K201-K204 WeakPolarHBondContact O-CE 3.49Å; K201-K204 PolarHBondContact O-NZ 2.92Å; W202-K204 VanDerWaalsContact C-N 3.29Å; W202-K204 PolarHBondContact O-N 2.83Å; K204-T207 VanDerWaalsContact O-CB 3.32Å; K204-T207 WeakPolarHBondContact O-CB 3.47Å; K204-T207 PolarHBondContact O-N 2.88Å; K204-T207 PolarHBondContact O-OG1 2.83Å
205	S	95.4	Very high	94.3	Very high	49 Å²	49	30.2 Å²	30.2	34%	0.343	16%	0.155	S	C	.	.	S	Bend	trans	-39.8	134.5	-178.5	-48.4	0	0	0	0	114.5	Y165 E166 I168	Y165-S205 CarbonylContact O-C 3.58Å; Y165-S205 WeakPolarHBondContact O-CA 3.34Å; E166-S205 WeakPolarHBondContact O-CB 3.46Å; I168-S205 PolarHBondContact N-OG 3.03Å; I168-S205 PolarHBondContact O-OG 2.78Å
206	G	96	Very high	93.7	Very high	13 Å²	13	28.2 Å²	28.2	13%	0.134	15%	0.151	C	C	.	.	S	Bend	trans	76.9	26.4	-179	0	0	0	0	0	114.5	R60 H61 Q62 Y165	R60-G206 CarbonylContact C-O 3.53Å; H61-G206 CarbonylContact C-O 3.54Å; H61-G206 WeakPolarHBondContact CA-O 3.28Å; H61-G206 PolarHBondContact N-O 2.83Å; Q62-G206 PolarHBondContact N-O 2.9Å; Y165-G206 PolarHBondContact O-N 2.75Å
207	T	97.5	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.7	177.7	-53.6	0	0	0	0	111.3	I58 R59 R60 Y164 Y165 W202 K204 V209	I58-T207 HydrophobicContact CG2-CG2 3.72Å; R59-T207 WeakPolarHBondContact O-CA 3.02Å; R60-T207 WeakPolarHBondContact CD-OG1 3.38Å; R60-T207 PolarHBondContact NH1-OG1 3.41Å; Y164-T207 WeakPolarHBondContact CA-O 3.5Å; Y164-T207 WeakPolarHBondContact CD2-O 3.27Å; Y165-T207 HydrophobicContact CD2-CG2 4.31Å; Y165-T207 PolarHBondContact N-O 3.47Å; Y165-T207 PolarHBondContact O-N 2.83Å; W202-T207 WeakPolarHBondContact O-CG2 3.33Å; W202-T207 PolarHBondContact O-OG1 2.85Å; W202-T207 VanDerWaalsContact O-OG1 3.12Å; K204-T207 VanDerWaalsContact O-CB 3.32Å; K204-T207 WeakPolarHBondContact O-CB 3.47Å; K204-T207 PolarHBondContact O-N 2.88Å; K204-T207 PolarHBondContact O-OG1 2.83Å; T207-V209 HydrophobicContact CG2-CG2 4.43Å
208	L	97.9	Very high	92.7	Very high	21 Å²	21	28 Å²	28	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.6	170.2	-175.6	66.5	0	0	0	109.3	I58 R59 Q62 L163 Y164 E210	I58-L208 WeakPolarHBondContact CA-O 3.39Å; R59-L208 PolarHBondContact N-O 2.82Å; R59-L208 PolarHBondContact O-N 2.7Å; Q62-L208 HydrophobicContact CB-CB 4.17Å; Q62-L208 HydrophobicContact CG-CB 3.93Å; L163-L208 CarbonylContact O-C 3.59Å; L163-L208 WeakPolarHBondContact O-CA 3.39Å; Y164-L208 HydrophobicContact CD2-CB 4.13Å; Y164-L208 HydrophobicContact CD2-CD1 4.2Å; L208-E210 HydrophobicContact CD2-CG 4.13Å; L208-E210 HydrophobicContact CG-CG 4.1Å
209	V	97.8	Very high	92.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	169.1	-175.8	0	0	0	0	108.2	M56 R57 I58 S162 L163 Y165 V198 T207 F211	M56-V209 HydrophobicContact CG-CG1 3.67Å; M56-V209 HydrophobicContact SD-CG1 3.88Å; R57-V209 CarbonylContact O-C 3.57Å; R57-V209 VanDerWaalsContact O-CA 3.31Å; R57-V209 WeakPolarHBondContact O-CA 3.43Å; I58-V209 HydrophobicContact CB-CG2 4.49Å; I58-V209 HydrophobicContact CG1-CG1 4.19Å; I58-V209 HydrophobicContact CG1-CG2 4.11Å; I58-V209 HydrophobicContact CG2-CG2 4.13Å; S162-V209 CarbonylContact C-O 3.53Å; S162-V209 VanDerWaalsContact CA-O 3.3Å; S162-V209 WeakPolarHBondContact CA-O 3.5Å; L163-V209 HydrophobicContact CB-CB 4.49Å; L163-V209 PolarHBondContact N-O 2.84Å; L163-V209 PolarHBondContact O-N 3.14Å; Y165-V209 HydrophobicContact CE2-CG2 3.78Å; V198-V209 HydrophobicContact CG1-CG2 3.96Å; V198-V209 HydrophobicContact CG2-CG1 4.15Å; V198-V209 HydrophobicContact CG2-CG2 4.38Å; T207-V209 HydrophobicContact CG2-CG2 4.43Å; V209-F211 HydrophobicContact CB-CE2 4.22Å; V209-F211 HydrophobicContact CG1-CD2 4.13Å; V209-F211 HydrophobicContact CG1-CE1 4.33Å; V209-F211 HydrophobicContact CG1-CE2 3.41Å; V209-F211 VanDerWaalsContact CG1-CE2 3.41Å; V209-F211 HydrophobicContact CG1-CZ 3.55Å
210	E	97.1	Very high	91.6	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.3	-179.9	-60.2	170.6	97.1	0	0	109.4	M56 R57 R59 K160 L208	M56-E210 CarbonylContact C-O 3.56Å; M56-E210 WeakPolarHBondContact CA-O 3.38Å; R57-E210 HydrophobicContact CB-CB 4.41Å; R57-E210 PolarHBondContact N-O 3.5Å; R57-E210 PolarHBondContact O-N 3.33Å; R59-E210 IonicContact CZ-OE2 3.38Å; R59-E210 IonicContact NE-OE2 2.86Å; R59-E210 PolarHBondContact NE-OE2 3.38Å; R59-E210 IonicContact NH2-OE1 3.87Å; R59-E210 PolarHBondContact NH2-OE1 2.68Å; R59-E210 VanDerWaalsContact NH2-OE1 3.14Å; R59-E210 IonicContact NH2-OE2 2.77Å; R59-E210 PolarHBondContact NH2-OE2 2.94Å; K160-E210 VanDerWaalsContact CE-OE1 3.27Å; K160-E210 WeakPolarHBondContact CE-OE1 3.44Å; K160-E210 IonicContact NZ-OE1 3.65Å; K160-E210 PolarHBondContact NZ-OE1 2.86Å; L208-E210 HydrophobicContact CD2-CG 4.13Å; L208-E210 HydrophobicContact CG-CG 4.1Å
211	F	96	Very high	91.3	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.1	173.5	-59.3	-89.9	0	0	0	108.4	Y54 S55 M56 K160 I161 L163 I181 I196 V198 V209	Y54-F211 HydrophobicContact CD1-CB 3.88Å; S55-F211 WeakPolarHBondContact O-CA 3.48Å; M56-F211 HydrophobicContact CB-CD1 3.94Å; M56-F211 HydrophobicContact CB-CE1 3.86Å; M56-F211 HydrophobicContact CG-CD1 4.11Å; M56-F211 HydrophobicContact CG-CE1 3.66Å; M56-F211 HydrophobicContact CG-CZ 4.11Å; M56-F211 HydrophobicContact SD-CE1 3.59Å; M56-F211 VanDerWaalsContact SD-CE1 3.59Å; M56-F211 HydrophobicContact SD-CZ 3.8Å; K160-F211 VanDerWaalsContact CA-O 3.31Å; K160-F211 WeakPolarHBondContact CA-O 3.39Å; I161-F211 HydrophobicContact CB-CB 4.45Å; I161-F211 PolarHBondContact N-O 2.83Å; I161-F211 PolarHBondContact O-N 2.91Å; L163-F211 HydrophobicContact CD1-CE2 3.79Å; L163-F211 HydrophobicContact CG-CD2 4.49Å; L163-F211 HydrophobicContact CG-CE2 4.04Å; I181-F211 HydrophobicContact CD1-CD1 3.91Å; I181-F211 HydrophobicContact CD1-CD2 3.45Å; I181-F211 VanDerWaalsContact CD1-CD2 3.45Å; I181-F211 HydrophobicContact CD1-CE1 3.8Å; I181-F211 HydrophobicContact CD1-CE2 3.33Å; I181-F211 HydrophobicContact CD1-CG 3.73Å; I181-F211 HydrophobicContact CD1-CZ 3.51Å; I181-F211 HydrophobicContact CG1-CE1 4.3Å; I181-F211 HydrophobicContact CG1-CE2 4.28Å; I181-F211 HydrophobicContact CG1-CZ 4.04Å; I196-F211 HydrophobicContact CG2-CD1 4.45Å; I196-F211 HydrophobicContact CG2-CE1 3.79Å; V198-F211 HydrophobicContact CG2-CE2 4.47Å; V198-F211 HydrophobicContact CG2-CZ 3.8Å; V209-F211 HydrophobicContact CB-CE2 4.22Å; V209-F211 HydrophobicContact CG1-CD2 4.13Å; V209-F211 HydrophobicContact CG1-CE1 4.33Å; V209-F211 HydrophobicContact CG1-CE2 3.41Å; V209-F211 VanDerWaalsContact CG1-CE2 3.41Å; V209-F211 HydrophobicContact CG1-CZ 3.55Å
212	E	94.1	Very high	90.9	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.1	173.6	-68	168.1	-138.7	0	0	110	Y54 S55 R57 I214 T254 K258	Y54-E212 CarbonylContact C-O 3.53Å; Y54-E212 VanDerWaalsContact CA-O 3.25Å; Y54-E212 WeakPolarHBondContact CA-O 3.33Å; S55-E212 PolarHBondContact N-O 2.87Å; S55-E212 PolarHBondContact O-N 2.76Å; S55-E212 PolarHBondContact OG-O 3.47Å; R57-E212 IonicContact CZ-OE1 2.65Å; R57-E212 IonicContact NH1-OE1 3.8Å; R57-E212 PolarHBondContact NH1-OE1 3.4Å; R57-E212 IonicContact NH2-OE1 3.67Å; R57-E212 PolarHBondContact NH2-OE1 3.12Å; E212-I214 PolarHBondContact O-N 3.38Å; E212-T254 PolarHBondContact OE1-OG1 2.86Å; E212-K258 WeakPolarHBondContact OE2-CD 3.25Å; E212-K258 WeakPolarHBondContact OE2-CE 3.39Å; E212-K258 IonicContact OE2-NZ 3.45Å; E212-K258 PolarHBondContact OE2-NZ 3.18Å
213	V	92.2	Very high	90.7	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	129.9	175.4	-176.9	0	0	0	0	110.7	Y54 G159 R215 N250	Y54-V213 HydrophobicContact CD1-CG2 4.3Å; Y54-V213 HydrophobicContact CE1-CB 4.33Å; Y54-V213 HydrophobicContact CE1-CG2 3.56Å; G159-V213 WeakPolarHBondContact O-CG2 3.49Å; V213-R215 HydrophobicContact CG1-CG 4.09Å; V213-N250 PolarHBondContact O-ND2 3.24Å
214	I	89.1	Confident	90.4	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.051	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-102.9	127.6	165.4	-63	177.3	0	0	0	107.1	I50 K53 E212 I247 E248	I50-I214 HydrophobicContact CG2-CD1 3.76Å; K53-I214 PolarHBondContact O-N 3Å; E212-I214 PolarHBondContact O-N 3.38Å; I214-I247 HydrophobicContact CD1-CG2 4.49Å; I214-E248 WeakPolarHBondContact CG2-OE2 3.41Å
215	R	83.8	Confident	90.2	Very high	89 Å²	89	42.8 Å²	42.8	34%	0.336	23%	0.233	S	C	.	.			trans	-96.7	-153.6	-177.4	-70.9	179.3	161.3	165.3	-6.9	108.7	E87 V213 E248	E87-R215 IonicContact OE1-NH2 3.5Å; E87-R215 IonicContact OE2-CZ 3.5Å; E87-R215 IonicContact OE2-NE 3.56Å; E87-R215 PolarHBondContact OE2-NE 3.02Å; E87-R215 IonicContact OE2-NH2 2.68Å; E87-R215 PolarHBondContact OE2-NH2 3.43Å; V213-R215 HydrophobicContact CG1-CG 4.09Å; R215-E248 VanDerWaalsContact C-OE1 3.27Å; R215-E248 HydrophobicContact CB-CG 4.06Å; R215-E248 PolarHBondContact N-OE2 2.81Å
216	T	80.3	Confident	89.9	Confident	83 Å²	83	42 Å²	42	51%	0.509	23%	0.23	S	C	.	.	S	Bend	trans	-133.5	23.6	179.4	66	0	0	0	0	112.6	E248	T216-E248 PolarHBondContact N-OE1 3.22Å
217	L	82.2	Confident	89.6	Confident	59 Å²	59	41.4 Å²	41.4	31%	0.309	22%	0.224	S	C	.	.	S	Bend	trans	-84.2	-43.8	-179.9	-62.8	176	0	0	0	110.2	I220 T235 E248 L446	L217-I220 WeakPolarHBondContact O-CG1 3.3Å; L217-T235 HydrophobicContact CB-CG2 4.47Å; L217-T235 HydrophobicContact CD1-CG2 4.2Å; L217-E248 WeakPolarHBondContact CA-OE1 3.27Å; L217-E248 PolarHBondContact N-OE1 3.36Å; L217-L446 HydrophobicContact CD2-CD2 4.08Å
218	C	86.8	Confident	89	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-79.2	-30.1	178	-65.5	0	0	0	0	112.4	I220 H221 C237 C246 E248	C218-I220 PolarHBondContact O-N 3.35Å; C218-H221 WeakPolarHBondContact O-CB 3.46Å; C218-H221 PolarHBondContact O-N 3.29Å; C218-C237 VanDerWaalsContact CA-SG 3.55Å; C218-C237 HydrophobicContact CB-CB 3.88Å; C218-C237 WeakPolarHBondContact CB-SG 3.35Å; C218-C237 WeakPolarHBondContact SG-CA 3.31Å; C218-C237 WeakPolarHBondContact SG-CB 3.45Å; C218-C237 CovalentContact SG-SG 2.03Å; C218-C237 PolarHBondContact SG-SG 3.2Å; C218-C246 CarbonylContact C-O 3.49Å; C218-C246 HydrophobicContact CB-CB 4.45Å; C218-C246 WeakPolarHBondContact O-CB 3.3Å; C218-C246 PolarHBondContact O-SG 3.15Å; C218-E248 HydrophobicContact CB-CG 4.21Å; C218-E248 PolarHBondContact N-OE1 2.04Å
219	S	83.5	Confident	88.2	Confident	55 Å²	55	55.1 Å²	55.1	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.4	-174.1	-36.2	0	0	0	0	114.5	H221 C246	S219-H221 PolarHBondContact O-N 3.21Å; S219-C246 PolarHBondContact N-O 3.47Å
220	I	83.8	Confident	87	Confident	120 Å²	120	57.3 Å²	57.3	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.6	173.9	72.5	-175.7	0	0	0	112.8	L217 C218 T222	L217-I220 WeakPolarHBondContact O-CG1 3.3Å; C218-I220 PolarHBondContact O-N 3.35Å; I220-T222 PolarHBondContact O-N 2.96Å
221	H	85	Confident	85.4	Confident	48 Å²	48	62.6 Å²	62.6	22%	0.222	32%	0.324	C	S	.	.			trans	-95.2	79.8	-174.8	-63.3	-60.6	0	0	0	112.2	C218 S219 T223 A226 C227 V230 C246	C218-H221 WeakPolarHBondContact O-CB 3.46Å; C218-H221 PolarHBondContact O-N 3.29Å; S219-H221 PolarHBondContact O-N 3.21Å; H221-T223 PolarHBondContact O-N 3.43Å; H221-A226 HydrophobicContact CB-CB 3.96Å; H221-C227 HydrophobicContact CB-CB 4.23Å; H221-V230 VanDerWaalsContact CD2-CG2 3.43Å; H221-V230 WeakPolarHBondContact CD2-CG2 3.43Å; H221-V230 VanDerWaalsContact NE2-CG2 3.33Å; H221-V230 WeakPolarHBondContact NE2-CG2 3.48Å; H221-C246 HydrophobicContact CB-CB 4.19Å; H221-C246 WeakPolarHBondContact O-CB 3.38Å
222	T	86.4	Confident	83.7	Confident	117 Å²	117	68.3 Å²	68.3	72%	0.718	36%	0.361	S	S	*	.			trans	-71.3	16.9	-176.4	73.4	0	0	0	0	115.5	I220	I220-T222 PolarHBondContact O-N 2.96Å
223	T	89.5	Confident	82	Confident	56 Å²	56	72.7 Å²	72.7	34%	0.344	38%	0.384	S	S	.	.	S	Bend	trans	-143.4	151.3	173.7	98.7	0	0	0	0	112.1	H221 E225 A226 C227	H221-T223 PolarHBondContact O-N 3.43Å; T223-E225 VanDerWaalsContact CB-OE2 3.29Å; T223-E225 WeakPolarHBondContact CB-OE2 3.04Å; T223-E225 PolarHBondContact O-N 3.27Å; T223-E225 PolarHBondContact OG1-N 2.65Å; T223-E225 PolarHBondContact OG1-OE2 3.16Å; T223-A226 PolarHBondContact O-N 2.98Å; T223-A226 VanDerWaalsContact O-N 3.11Å; T223-A226 PolarHBondContact OG1-N 2.99Å; T223-C227 WeakPolarHBondContact O-CB 3.1Å; T223-C227 PolarHBondContact O-N 2.77Å
224	K	90.2	Very high	80.8	Confident	51 Å²	51	79.1 Å²	79.1	22%	0.222	42%	0.419	C	S	.	.	H	α-helix	trans	-55.8	-35.2	178.4	-166.8	161.8	-172.5	168.6	0	112.3	R228 W239 D264	K224-R228 VanDerWaalsContact O-CB 3.31Å; K224-R228 WeakPolarHBondContact O-CB 3.21Å; K224-R228 VanDerWaalsContact O-CG 3.25Å; K224-R228 WeakPolarHBondContact O-CG 3.19Å; K224-R228 PolarHBondContact O-N 2.94Å; K224-R228 VanDerWaalsContact O-N 3.15Å; K224-W239 HydrophobicContact CB-CD2 3.81Å; K224-W239 HydrophobicContact CB-CE3 4.47Å; K224-W239 HydrophobicContact CB-CG 3.84Å; K224-W239 HydrophobicContact CB-CZ2 4.49Å; K224-W239 HydrophobicContact CD-CG 4.21Å; K224-W239 HydrophobicContact CG-CB 4.15Å; K224-W239 HydrophobicContact CG-CD2 4.2Å; K224-W239 HydrophobicContact CG-CG 3.66Å; K224-D264 IonicContact NZ-OD2 2.75Å; K224-D264 PolarHBondContact NZ-OD2 2.86Å
225	E	89.2	Confident	80	Confident	112 Å²	112	79.4 Å²	79.4	52%	0.523	42%	0.421	S	S	.	.	H	α-helix	trans	-80.1	-30.9	179.6	-50	68.3	-146.9	0	0	112.9	T223 K229	T223-E225 VanDerWaalsContact CB-OE2 3.29Å; T223-E225 WeakPolarHBondContact CB-OE2 3.04Å; T223-E225 PolarHBondContact O-N 3.27Å; T223-E225 PolarHBondContact OG1-N 2.65Å; T223-E225 PolarHBondContact OG1-OE2 3.16Å; E225-K229 WeakPolarHBondContact O-CB 3.37Å; E225-K229 WeakPolarHBondContact O-CD 3.46Å; E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 WeakPolarHBondContact O-CG 3.09Å
226	A	88.9	Confident	80.1	Confident	32 Å²	32	78 Å²	78	26%	0.264	42%	0.422	S	S	.	.	H	α-helix	trans	-72.7	-47.8	173.5	0	0	0	0	0	110	H221 T223 R228 K229	H221-A226 HydrophobicContact CB-CB 3.96Å; T223-A226 PolarHBondContact O-N 2.98Å; T223-A226 VanDerWaalsContact O-N 3.11Å; T223-A226 PolarHBondContact OG1-N 2.99Å; A226-R228 PolarHBondContact O-N 3.35Å; A226-K229 PolarHBondContact O-N 3.21Å
227	C	89.5	Confident	80.5	Confident	1 Å²	1	75 Å²	75	1%	0.007	40%	0.404	C	S	.	.	H	α-helix	trans	-57.2	-45.7	179	-170.2	0	0	0	0	112.4	H221 T223 K229 I238 W239 C246	H221-C227 HydrophobicContact CB-CB 4.23Å; T223-C227 WeakPolarHBondContact O-CB 3.1Å; T223-C227 PolarHBondContact O-N 2.77Å; C227-K229 PolarHBondContact O-N 2.83Å; C227-I238 PolarHBondContact SG-O 3.46Å; C227-W239 HydrophobicContact CB-CB 4.21Å; C227-W239 HydrophobicContact CB-CE3 3.82Å; C227-W239 PolarHBondContact SG-N 3.23Å; C227-W239 VanDerWaalsContact SG-N 3.44Å; C227-C246 VanDerWaalsContact CA-SG 3.5Å; C227-C246 HydrophobicContact CB-CB 3.68Å; C227-C246 WeakPolarHBondContact CB-SG 3.05Å; C227-C246 WeakPolarHBondContact SG-CB 3.39Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 3.35Å
228	R	84.9	Confident	80.8	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	0.9	177.8	-71	177.3	170	-162.9	-5	115	K224 A226	K224-R228 VanDerWaalsContact O-CB 3.31Å; K224-R228 WeakPolarHBondContact O-CB 3.21Å; K224-R228 VanDerWaalsContact O-CG 3.25Å; K224-R228 WeakPolarHBondContact O-CG 3.19Å; K224-R228 PolarHBondContact O-N 2.94Å; K224-R228 VanDerWaalsContact O-N 3.15Å; A226-R228 PolarHBondContact O-N 3.35Å
229	K	81.5	Confident	81.1	Confident	149 Å²	149	74.5 Å²	74.5	65%	0.648	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	1.4	179.4	-77.1	176	-167.5	169.3	0	114	E225 A226 C227 T231	E225-K229 WeakPolarHBondContact O-CB 3.37Å; E225-K229 WeakPolarHBondContact O-CD 3.46Å; E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 WeakPolarHBondContact O-CG 3.09Å; A226-K229 PolarHBondContact O-N 3.21Å; C227-K229 PolarHBondContact O-N 2.83Å; K229-T231 PolarHBondContact O-N 2.91Å; K229-T231 PolarHBondContact O-OG1 2.89Å; K229-T231 VanDerWaalsContact O-OG1 3.11Å
230	V	73.2	Confident	81.4	Confident	45 Å²	45	71.9 Å²	71.9	27%	0.273	38%	0.381	S	S	.	.			trans	-57.6	116.5	173.8	-179.4	0	0	0	0	108.6	H221 C237	H221-V230 VanDerWaalsContact CD2-CG2 3.43Å; H221-V230 WeakPolarHBondContact CD2-CG2 3.43Å; H221-V230 VanDerWaalsContact NE2-CG2 3.33Å; H221-V230 WeakPolarHBondContact NE2-CG2 3.48Å; V230-C237 HydrophobicContact CB-CB 4.34Å; V230-C237 HydrophobicContact CG2-CB 4.12Å
231	T	62.5	Low	81.7	Confident	118 Å²	118	67.1 Å²	67.1	72%	0.724	36%	0.362	S	S	*	.			trans	-104.2	134.1	-179.4	-58.8	0	0	0	0	105.3	K229 L233	K229-T231 PolarHBondContact O-N 2.91Å; K229-T231 PolarHBondContact O-OG1 2.89Å; K229-T231 VanDerWaalsContact O-OG1 3.11Å; T231-L233 PolarHBondContact O-N 3.26Å
232	P	59.9	Low	81.9	Confident	120 Å²	120	70.5 Å²	70.5	78%	0.779	38%	0.375	S	S	*	.			trans	-62.4	118	-143.5	18.4	-33	0	0	0	114.9
233	L	60	Low	82	Confident	97 Å²	97	65.4 Å²	65.4	51%	0.508	35%	0.345	S	S	.	.	S	Bend		-77.7	177	124.7	-56.8	99.5	0	0	0	108	T231 T235	T231-L233 PolarHBondContact O-N 3.26Å; L233-T235 PolarHBondContact O-N 2.78Å
234	D	65.3	Low	81.9	Confident	140 Å²	140	65 Å²	65	75%	0.749	35%	0.352	S	S	*	.	S	Bend	trans	-72.5	45.6	179.2	-57.1	-53.1	0	0	0	113.3
235	T	73.1	Confident	81.9	Confident	16 Å²	16	64.5 Å²	64.5	10%	0.098	35%	0.351	C	S	.	.			trans	-155.8	117.3	-173	-63.3	0	0	0	0	110	L217 L233 E248	L217-T235 HydrophobicContact CB-CG2 4.47Å; L217-T235 HydrophobicContact CD1-CG2 4.2Å; L233-T235 PolarHBondContact O-N 2.78Å; T235-E248 HydrophobicContact CG2-CB 3.93Å; T235-E248 HydrophobicContact CG2-CG 3.42Å; T235-E248 VanDerWaalsContact CG2-CG 3.42Å
236	T	85.3	Confident	81.9	Confident	60 Å²	60	59.2 Å²	59.2	37%	0.368	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.1	177.7	-58.3	0	0	0	0	110.4	S249	T236-S249 WeakPolarHBondContact O-CB 3.37Å; T236-S249 PolarHBondContact O-N 2.89Å
237	C	89	Confident	82	Confident	20 Å²	20	57.8 Å²	57.8	14%	0.135	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.5	179.4	-63.5	0	0	0	0	113.4	C218 V230 I247	C218-C237 VanDerWaalsContact CA-SG 3.55Å; C218-C237 HydrophobicContact CB-CB 3.88Å; C218-C237 WeakPolarHBondContact CB-SG 3.35Å; C218-C237 WeakPolarHBondContact SG-CA 3.31Å; C218-C237 WeakPolarHBondContact SG-CB 3.45Å; C218-C237 CovalentContact SG-SG 2.03Å; C218-C237 PolarHBondContact SG-SG 3.2Å; V230-C237 HydrophobicContact CB-CB 4.34Å; V230-C237 HydrophobicContact CG2-CB 4.12Å; C237-I247 WeakPolarHBondContact CA-O 3.23Å
238	I	90	Very high	81.9	Confident	11 Å²	11	57.7 Å²	57.7	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	177.5	-59.5	173.3	0	0	0	109	C227 C246 I247 K258 V259 C262	C227-I238 PolarHBondContact SG-O 3.46Å; I238-C246 WeakPolarHBondContact O-CA 3.47Å; I238-I247 HydrophobicContact CB-CG1 4.25Å; I238-I247 PolarHBondContact N-O 2.76Å; I238-I247 PolarHBondContact O-N 2.81Å; I238-K258 HydrophobicContact CD1-CB 3.71Å; I238-K258 HydrophobicContact CD1-CD 4.14Å; I238-K258 HydrophobicContact CD1-CG 3.84Å; I238-V259 HydrophobicContact CD1-CG2 3.71Å; I238-V259 HydrophobicContact CG1-CG2 3.98Å; I238-V259 HydrophobicContact CG2-CG2 4.47Å; I238-C262 HydrophobicContact CG2-CB 3.6Å
239	W	91.5	Very high	82	Confident	36 Å²	36	50.2 Å²	50.2	14%	0.136	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.4	172.2	-179.8	-92.4	0	0	0	110.4	K224 C227 G244 C246	K224-W239 HydrophobicContact CB-CD2 3.81Å; K224-W239 HydrophobicContact CB-CE3 4.47Å; K224-W239 HydrophobicContact CB-CG 3.84Å; K224-W239 HydrophobicContact CB-CZ2 4.49Å; K224-W239 HydrophobicContact CD-CG 4.21Å; K224-W239 HydrophobicContact CG-CB 4.15Å; K224-W239 HydrophobicContact CG-CD2 4.2Å; K224-W239 HydrophobicContact CG-CG 3.66Å; C227-W239 HydrophobicContact CB-CB 4.21Å; C227-W239 HydrophobicContact CB-CE3 3.82Å; C227-W239 PolarHBondContact SG-N 3.23Å; C227-W239 VanDerWaalsContact SG-N 3.44Å; W239-G244 VanDerWaalsContact CH2-O 3.26Å; W239-G244 WeakPolarHBondContact CH2-O 3.43Å; W239-C246 HydrophobicContact CE3-CB 4.04Å; W239-C246 HydrophobicContact CZ3-CB 4.33Å
240	C	91.2	Very high	82.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.8	175.9	-172.3	0	0	0	0	110.2	I50 K242 A243 G244 E245 C262	I50-C240 HydrophobicContact CD1-CB 4.02Å; C240-K242 PolarHBondContact O-N 3.44Å; C240-A243 HydrophobicContact CB-CB 3.9Å; C240-A243 PolarHBondContact O-N 3.13Å; C240-A243 VanDerWaalsContact O-N 3.07Å; C240-A243 VanDerWaalsContact SG-CB 3.57Å; C240-G244 PolarHBondContact O-N 2.87Å; C240-E245 PolarHBondContact N-O 2.84Å; C240-E245 PolarHBondContact O-N 2.81Å; C240-C262 HydrophobicContact CB-CB 3.99Å; C240-C262 VanDerWaalsContact CB-SG 3.51Å
241	G	89.5	Confident	82.6	Confident	21 Å²	21	43.1 Å²	43.1	22%	0.216	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-36.9	-168.4	0	0	0	0	0	114.5	A243 G244 C262 D264	G241-A243 VanDerWaalsContact C-N 3.32Å; G241-A243 PolarHBondContact O-N 2.84Å; G241-G244 PolarHBondContact O-N 3.43Å; G241-C262 PolarHBondContact N-O 3.27Å; G241-D264 WeakPolarHBondContact CA-OD1 3.23Å
242	K	88.6	Confident	83.6	Confident	118 Å²	118	44 Å²	44	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.4	171.5	-70	174.5	178.8	163.4	0	114.1	I40 C240 D264	I40-K242 HydrophobicContact CG2-CB 4.31Å; I40-K242 HydrophobicContact CG2-CD 4.09Å; I40-K242 WeakPolarHBondContact O-CD 3.43Å; I40-K242 WeakPolarHBondContact O-CE 3.42Å; I40-K242 PolarHBondContact O-NZ 2.82Å; C240-K242 PolarHBondContact O-N 3.44Å; K242-D264 PolarHBondContact N-OD1 2.9Å
243	A	88.2	Confident	84.7	Confident	10 Å²	10	45.6 Å²	45.6	8%	0.083	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-23.8	177.4	0	0	0	0	0	112.5	K38 I40 I50 C240 G241 E245	K38-A243 HydrophobicContact CD-CB 3.97Å; K38-A243 PolarHBondContact NZ-O 2.98Å; I40-A243 HydrophobicContact CD1-CB 3.75Å; I50-A243 HydrophobicContact CD1-CB 4.1Å; C240-A243 HydrophobicContact CB-CB 3.9Å; C240-A243 PolarHBondContact O-N 3.13Å; C240-A243 VanDerWaalsContact O-N 3.07Å; C240-A243 VanDerWaalsContact SG-CB 3.57Å; G241-A243 VanDerWaalsContact C-N 3.32Å; G241-A243 PolarHBondContact O-N 2.84Å; A243-E245 HydrophobicContact CB-CG 3.88Å; A243-E245 WeakPolarHBondContact CB-OE1 3.4Å
244	G	88.5	Confident	85.9	Confident	47 Å²	47	41.2 Å²	41.2	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	17.5	-175.9	0	0	0	0	0	114.1	W239 C240 G241	W239-G244 VanDerWaalsContact CH2-O 3.26Å; W239-G244 WeakPolarHBondContact CH2-O 3.43Å; C240-G244 PolarHBondContact O-N 2.87Å; G241-G244 PolarHBondContact O-N 3.43Å
245	E	89.3	Confident	86.9	Confident	41 Å²	41	36.4 Å²	36.4	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.4	-167.9	76.9	-166.6	121.9	0	0	114.5	Y36 K38 C240 A243 I247	Y36-E245 PolarHBondContact OH-OE1 3.47Å; Y36-E245 PolarHBondContact OH-OE2 2.99Å; K38-E245 IonicContact NZ-OE1 3.64Å; C240-E245 PolarHBondContact N-O 2.84Å; C240-E245 PolarHBondContact O-N 2.81Å; A243-E245 HydrophobicContact CB-CG 3.88Å; A243-E245 WeakPolarHBondContact CB-OE1 3.4Å; E245-I247 HydrophobicContact CG-CG2 3.93Å
246	C	90.5	Very high	87.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121	179.5	-172.4	0	0	0	0	109.9	C218 S219 H221 C227 I238 W239	C218-C246 CarbonylContact C-O 3.49Å; C218-C246 HydrophobicContact CB-CB 4.45Å; C218-C246 WeakPolarHBondContact O-CB 3.3Å; C218-C246 PolarHBondContact O-SG 3.15Å; S219-C246 PolarHBondContact N-O 3.47Å; H221-C246 HydrophobicContact CB-CB 4.19Å; H221-C246 WeakPolarHBondContact O-CB 3.38Å; C227-C246 VanDerWaalsContact CA-SG 3.5Å; C227-C246 HydrophobicContact CB-CB 3.68Å; C227-C246 WeakPolarHBondContact CB-SG 3.05Å; C227-C246 WeakPolarHBondContact SG-CB 3.39Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 3.35Å; I238-C246 WeakPolarHBondContact O-CA 3.47Å; W239-C246 HydrophobicContact CE3-CB 4.04Å; W239-C246 HydrophobicContact CZ3-CB 4.33Å
247	I	90.1	Very high	87.7	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156	-174.5	67.1	179.3	0	0	0	112	Y48 I50 I214 C237 I238 E245 K258	Y48-I247 WeakPolarHBondContact OH-CD1 3.39Å; I50-I247 HydrophobicContact CD1-CD1 3.85Å; I50-I247 HydrophobicContact CD1-CG2 4.17Å; I214-I247 HydrophobicContact CD1-CG2 4.49Å; C237-I247 WeakPolarHBondContact CA-O 3.23Å; I238-I247 HydrophobicContact CB-CG1 4.25Å; I238-I247 PolarHBondContact N-O 2.76Å; I238-I247 PolarHBondContact O-N 2.81Å; E245-I247 HydrophobicContact CG-CG2 3.93Å; I247-K258 HydrophobicContact CD1-CG 4.42Å
248	E	88.6	Confident	87.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	146	173.2	-61.7	74.8	-167.8	0	0	113.4	I214 R215 T216 L217 C218 T235 N250 K258	I214-E248 WeakPolarHBondContact CG2-OE2 3.41Å; R215-E248 VanDerWaalsContact C-OE1 3.27Å; R215-E248 HydrophobicContact CB-CG 4.06Å; R215-E248 PolarHBondContact N-OE2 2.81Å; T216-E248 PolarHBondContact N-OE1 3.22Å; L217-E248 WeakPolarHBondContact CA-OE1 3.27Å; L217-E248 PolarHBondContact N-OE1 3.36Å; C218-E248 HydrophobicContact CB-CG 4.21Å; C218-E248 PolarHBondContact N-OE1 2.04Å; T235-E248 HydrophobicContact CG2-CB 3.93Å; T235-E248 HydrophobicContact CG2-CG 3.42Å; T235-E248 VanDerWaalsContact CG2-CG 3.42Å; E248-N250 WeakPolarHBondContact CB-ND2 3.43Å; E248-N250 WeakPolarHBondContact CB-OD1 3.22Å; E248-K258 WeakPolarHBondContact O-CE 3.44Å; E248-K258 PolarHBondContact O-NZ 2.91Å
249	S	87.4	Confident	87.6	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	95.2	160.9	-156.3	0	0	0	0	109.1	T236 D251 H255	T236-S249 WeakPolarHBondContact O-CB 3.37Å; T236-S249 PolarHBondContact O-N 2.89Å; S249-D251 PolarHBondContact OG-O 2.03Å; S249-H255 WeakPolarHBondContact CB-ND1 3.31Å; S249-H255 WeakPolarHBondContact OG-CA 3.22Å; S249-H255 PolarHBondContact OG-ND1 2.85Å
250	N	82.8	Confident	87.4	Confident	34 Å²	34	40.8 Å²	40.8	18%	0.182	22%	0.222	C	C	.	.			trans	-96.3	-2	-176.9	-63.6	-39.6	0	0	0	113.4	V213 E248	V213-N250 PolarHBondContact O-ND2 3.24Å; E248-N250 WeakPolarHBondContact CB-ND2 3.43Å; E248-N250 WeakPolarHBondContact CB-OD1 3.22Å
251	D	83.4	Confident	87.4	Confident	12 Å²	12	41 Å²	41	6%	0.064	22%	0.223	C	C	.	.			trans	-123.5	127.5	176.9	172.4	-39.6	0	0	0	106.3	K160 S249 D253 T254 H255	K160-D251 WeakPolarHBondContact CD-OD2 3.33Å; K160-D251 WeakPolarHBondContact CE-OD2 3.4Å; K160-D251 IonicContact NZ-OD2 2.6Å; K160-D251 PolarHBondContact NZ-OD2 3.02Å; S249-D251 PolarHBondContact OG-O 2.03Å; D251-D253 PolarHBondContact OD1-N 3.18Å; D251-D253 VanDerWaalsContact OD1-N 3.14Å; D251-T254 VanDerWaalsContact CB-OG1 3.28Å; D251-T254 WeakPolarHBondContact CB-OG1 3.42Å; D251-T254 WeakPolarHBondContact OD1-CB 2.98Å; D251-T254 WeakPolarHBondContact OD1-CG2 3.33Å; D251-T254 PolarHBondContact OD1-N 3.16Å; D251-T254 PolarHBondContact OD1-OG1 3.08Å; D251-T254 PolarHBondContact OD2-OG1 2.59Å; D251-H255 PolarHBondContact O-N 2.97Å
252	Q	82.7	Confident	87.4	Confident	135 Å²	135	40 Å²	40	63%	0.631	21%	0.213	S	C	*	.	S	Bend	trans	-84.6	-37.5	-174.8	-65.9	-65.8	-29.8	0	0	111.6	T254 H255	Q252-T254 VanDerWaalsContact C-N 3.27Å; Q252-T254 PolarHBondContact O-N 2.92Å; Q252-H255 VanDerWaalsContact O-CB 3.28Å; Q252-H255 WeakPolarHBondContact O-CB 3.4Å; Q252-H255 PolarHBondContact O-N 3.23Å; Q252-H255 VanDerWaalsContact O-N 3.12Å
253	D	84.3	Confident	87.2	Confident	154 Å²	154	36.5 Å²	36.5	82%	0.824	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.3	-179.6	-58.5	-33.4	0	0	0	111.4	D251	D251-D253 PolarHBondContact OD1-N 3.18Å; D251-D253 VanDerWaalsContact OD1-N 3.14Å
254	T	84.9	Confident	86.2	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.037	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.7	175.3	63.3	0	0	0	0	113.9	E212 D251 Q252 M256 L257 K258	E212-T254 PolarHBondContact OE1-OG1 2.86Å; D251-T254 VanDerWaalsContact CB-OG1 3.28Å; D251-T254 WeakPolarHBondContact CB-OG1 3.42Å; D251-T254 WeakPolarHBondContact OD1-CB 2.98Å; D251-T254 WeakPolarHBondContact OD1-CG2 3.33Å; D251-T254 PolarHBondContact OD1-N 3.16Å; D251-T254 PolarHBondContact OD1-OG1 3.08Å; D251-T254 PolarHBondContact OD2-OG1 2.59Å; Q252-T254 VanDerWaalsContact C-N 3.27Å; Q252-T254 PolarHBondContact O-N 2.92Å; T254-M256 VanDerWaalsContact C-N 3.33Å; T254-M256 PolarHBondContact O-N 3.28Å; T254-L257 WeakPolarHBondContact O-CA 3.43Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.24Å; T254-K258 PolarHBondContact O-N 3.46Å
255	H	86.1	Confident	84.7	Confident	39 Å²	39	45.8 Å²	45.8	18%	0.181	23%	0.231	C	C	.	.	H	α-helix	trans	-53.6	-48.5	-175.4	176.4	56.5	0	0	0	112.4	S249 D251 Q252 L257 K258 V259	S249-H255 WeakPolarHBondContact CB-ND1 3.31Å; S249-H255 WeakPolarHBondContact OG-CA 3.22Å; S249-H255 PolarHBondContact OG-ND1 2.85Å; D251-H255 PolarHBondContact O-N 2.97Å; Q252-H255 VanDerWaalsContact O-CB 3.28Å; Q252-H255 WeakPolarHBondContact O-CB 3.4Å; Q252-H255 PolarHBondContact O-N 3.23Å; Q252-H255 VanDerWaalsContact O-N 3.12Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.14Å; H255-K258 PolarHBondContact O-N 2.9Å; H255-V259 WeakPolarHBondContact O-CG2 3.33Å; H255-V259 PolarHBondContact O-N 3.22Å
256	M	87	Confident	82.8	Confident	117 Å²	117	46.5 Å²	46.5	58%	0.576	24%	0.239	S	C	*	.	H	α-helix	trans	-69.3	-30.1	179.5	-67.7	-55.8	-55.2	0	0	113	T254 N260	T254-M256 VanDerWaalsContact C-N 3.33Å; T254-M256 PolarHBondContact O-N 3.28Å; M256-N260 PolarHBondContact O-N 3.12Å; M256-N260 VanDerWaalsContact O-N 3.14Å; M256-N260 PolarHBondContact O-ND2 2.9Å
257	L	88	Confident	80.5	Confident	24 Å²	24	49.8 Å²	49.8	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-51.6	169.1	-72.6	178.1	0	0	0	109.9	T254 H255 V259 N260 D261 I274	T254-L257 WeakPolarHBondContact O-CA 3.43Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.24Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.14Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 PolarHBondContact O-N 3.4Å; L257-N260 CarbonylContact O-C 3.57Å; L257-N260 WeakPolarHBondContact O-CA 2.96Å; L257-N260 PolarHBondContact O-N 3.19Å; L257-D261 WeakPolarHBondContact O-CB 3.46Å; L257-D261 PolarHBondContact O-N 3.43Å; L257-I274 HydrophobicContact CD1-CD1 3.73Å; L257-I274 HydrophobicContact CD2-CD1 4.01Å; L257-I274 HydrophobicContact CG-CD1 3.98Å
258	K	88.9	Confident	77.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-35.5	-178.3	-154.6	170.9	-161.7	168.8	0	112.1	Y48 S55 E212 I238 I247 E248 T254 H255 C262	Y48-K258 WeakPolarHBondContact OH-CE 3.37Å; S55-K258 WeakPolarHBondContact OG-CE 3.15Å; S55-K258 PolarHBondContact OG-NZ 2.76Å; E212-K258 WeakPolarHBondContact OE2-CD 3.25Å; E212-K258 WeakPolarHBondContact OE2-CE 3.39Å; E212-K258 IonicContact OE2-NZ 3.45Å; E212-K258 PolarHBondContact OE2-NZ 3.18Å; I238-K258 HydrophobicContact CD1-CB 3.71Å; I238-K258 HydrophobicContact CD1-CD 4.14Å; I238-K258 HydrophobicContact CD1-CG 3.84Å; I247-K258 HydrophobicContact CD1-CG 4.42Å; E248-K258 WeakPolarHBondContact O-CE 3.44Å; E248-K258 PolarHBondContact O-NZ 2.91Å; T254-K258 PolarHBondContact O-N 3.46Å; H255-K258 PolarHBondContact O-N 2.9Å; K258-C262 WeakPolarHBondContact O-CB 3.03Å; K258-C262 PolarHBondContact O-N 2.94Å; K258-C262 VanDerWaalsContact O-N 3.16Å; K258-C262 PolarHBondContact O-SG 3.44Å
259	V	88.2	Confident	75.6	Confident	31 Å²	31	61.9 Å²	61.9	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-47.4	170.6	168.2	0	0	0	0	111.5	I238 H255 L257 C262 N263	I238-V259 HydrophobicContact CD1-CG2 3.71Å; I238-V259 HydrophobicContact CG1-CG2 3.98Å; I238-V259 HydrophobicContact CG2-CG2 4.47Å; H255-V259 WeakPolarHBondContact O-CG2 3.33Å; H255-V259 PolarHBondContact O-N 3.22Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 PolarHBondContact O-N 3.4Å; V259-C262 PolarHBondContact O-N 2.84Å; V259-N263 WeakPolarHBondContact O-CB 3.44Å; V259-N263 PolarHBondContact O-N 3.35Å; V259-N263 VanDerWaalsContact O-N 3.11Å; V259-N263 PolarHBondContact O-ND2 3.32Å; V259-N263 VanDerWaalsContact O-ND2 3.14Å
260	N	88.3	Confident	73.6	Confident	63 Å²	63	63.6 Å²	63.6	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-38.6	-179.8	-68.6	-19.5	0	0	0	112.8	M256 L257 C262 N263 T266	M256-N260 PolarHBondContact O-N 3.12Å; M256-N260 VanDerWaalsContact O-N 3.14Å; M256-N260 PolarHBondContact O-ND2 2.9Å; L257-N260 CarbonylContact O-C 3.57Å; L257-N260 WeakPolarHBondContact O-CA 2.96Å; L257-N260 PolarHBondContact O-N 3.19Å; N260-C262 VanDerWaalsContact C-N 3.27Å; N260-C262 PolarHBondContact O-N 2.85Å; N260-N263 PolarHBondContact O-N 3Å; N260-T266 PolarHBondContact O-OG1 3.12Å
261	D	89.6	Confident	71.5	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-56.5	-41.7	172.9	-70.7	-37.6	0	0	0	111.2	I40 Y46 Y48 R57 L257	I40-D261 WeakPolarHBondContact CG2-O 3.43Å; Y46-D261 WeakPolarHBondContact CE1-OD1 3.28Å; Y46-D261 VanDerWaalsContact CZ-OD1 3.28Å; Y46-D261 PolarHBondContact OH-OD1 2.74Å; Y46-D261 PolarHBondContact OH-OD2 2.77Å; Y46-D261 VanDerWaalsContact OH-OD2 3.08Å; Y48-D261 HydrophobicContact CD1-CB 3.52Å; Y48-D261 HydrophobicContact CD2-CB 4.44Å; Y48-D261 HydrophobicContact CE1-CB 3.87Å; Y48-D261 HydrophobicContact CG-CB 3.85Å; R57-D261 IonicContact CZ-OD2 2.69Å; R57-D261 IonicContact NE-OD2 2.83Å; R57-D261 PolarHBondContact NE-OD2 2.9Å; R57-D261 IonicContact NH2-OD2 3.36Å; R57-D261 PolarHBondContact NH2-OD2 2.59Å; L257-D261 WeakPolarHBondContact O-CB 3.46Å; L257-D261 PolarHBondContact O-N 3.43Å
262	C	89.7	Confident	69.5	Low	2 Å²	2	70.4 Å²	70.4	1%	0.014	39%	0.394	C	S	.	.	H	α-helix	trans	-87.5	-12.5	-174.6	-74.1	0	0	0	0	115.2	I238 C240 G241 K258 V259 N260	I238-C262 HydrophobicContact CG2-CB 3.6Å; C240-C262 HydrophobicContact CB-CB 3.99Å; C240-C262 VanDerWaalsContact CB-SG 3.51Å; G241-C262 PolarHBondContact N-O 3.27Å; K258-C262 WeakPolarHBondContact O-CB 3.03Å; K258-C262 PolarHBondContact O-N 2.94Å; K258-C262 VanDerWaalsContact O-N 3.16Å; K258-C262 PolarHBondContact O-SG 3.44Å; V259-C262 PolarHBondContact O-N 2.84Å; N260-C262 VanDerWaalsContact C-N 3.27Å; N260-C262 PolarHBondContact O-N 2.85Å
263	N	84.9	Confident	67.2	Low	44 Å²	44	68.9 Å²	68.9	24%	0.235	40%	0.398	C	S	.	.			trans	-79.1	128.4	-175.9	-88.1	-31	0	0	0	112.1	V259 N260 E265 T266	V259-N263 WeakPolarHBondContact O-CB 3.44Å; V259-N263 PolarHBondContact O-N 3.35Å; V259-N263 VanDerWaalsContact O-N 3.11Å; V259-N263 PolarHBondContact O-ND2 3.32Å; V259-N263 VanDerWaalsContact O-ND2 3.14Å; N260-N263 PolarHBondContact O-N 3Å; N263-E265 PolarHBondContact O-N 2.76Å; N263-T266 WeakPolarHBondContact CB-OG1 3.31Å
264	D	67.4	Low	65.2	Low	73 Å²	73	66.7 Å²	66.7	39%	0.39	39%	0.386	S	S	.	.	S	Bend	trans	-64.9	-24.6	-178.8	-56.2	-60.9	0	0	0	113.7	K224 G241 K242	K224-D264 IonicContact NZ-OD2 2.75Å; K224-D264 PolarHBondContact NZ-OD2 2.86Å; G241-D264 WeakPolarHBondContact CA-OD1 3.23Å; K242-D264 PolarHBondContact N-OD1 2.9Å
265	E	56.4	Low	62.6	Low	178 Å²	178	72.2 Å²	72.2	83%	0.832	42%	0.419	S	S	*	.	S	Bend	trans	-99.3	-19.4	-167.1	-67.6	166.3	-144.9	0	0	113.2	N263 G267	N263-E265 PolarHBondContact O-N 2.76Å; E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3.47Å; E265-G267 VanDerWaalsContact O-N 3.1Å
266	T	50.1	Low	60.2	Low	57 Å²	57	76.9 Å²	76.9	35%	0.35	44%	0.441	S	S	.	.			trans	-89	56.4	-178.5	38.9	0	0	0	0	112.8	N260 N263 S268	N260-T266 PolarHBondContact O-OG1 3.12Å; N263-T266 WeakPolarHBondContact CB-OG1 3.31Å; T266-S268 PolarHBondContact O-N 2.93Å
267	G	41.2	Very low	57.5	Low	70 Å²	70	77.6 Å²	77.6	72%	0.722	45%	0.452	S	S	*	.			trans	-75.2	10.6	172.9	0	0	0	0	0	115.3	E265	E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3.47Å; E265-G267 VanDerWaalsContact O-N 3.1Å
268	S	37	Very low	54.8	Low	94 Å²	94	84 Å²	84	66%	0.657	48%	0.481	S	S	*	.	S	Bend	trans	-124.8	121.5	-171.5	-167.7	0	0	0	0	111.4	T266 V270	T266-S268 PolarHBondContact O-N 2.93Å; S268-V270 PolarHBondContact O-N 2.03Å
269	E	39.1	Very low	52.2	Low	162 Å²	162	91 Å²	91	76%	0.757	52%	0.517	S	S	*	.			trans	37.4	74.9	162.3	-60.5	-170.2	158	0	0	117.5	N271	E269-N271 PolarHBondContact O-N 3.44Å
270	V	46.4	Very low	49.4	Very low	37 Å²	37	97.6 Å²	97.6	22%	0.224	55%	0.546	C	S	.	.			trans	-67.1	89.2	154.5	-178.1	0	0	0	0	108.2	S268 A272	S268-V270 PolarHBondContact O-N 2.03Å; V270-A272 PolarHBondContact O-N 3.48Å; V270-A272 VanDerWaalsContact O-N 3.12Å
271	N	38.9	Very low	46.9	Very low	133 Å²	133	102.8 Å²	102.8	71%	0.711	57%	0.568	S	S	*	*			trans	-63.9	110	171.5	-100.5	-40.6	0	0	0	109.1	E269 S273	E269-N271 PolarHBondContact O-N 3.44Å; N271-S273 PolarHBondContact O-N 2.92Å
272	A	40.8	Very low	44	Very low	57 Å²	57	109 Å²	109	47%	0.471	61%	0.606	S	S	.	*			trans	-75.5	37.7	-172.3	0	0	0	0	0	114.2	V270	V270-A272 PolarHBondContact O-N 3.48Å; V270-A272 VanDerWaalsContact O-N 3.12Å
273	S	33.8	Very low	41.3	Very low	102 Å²	102	117.6 Å²	117.6	71%	0.713	65%	0.646	S	S	*	*			trans	-107.9	77.3	-179.2	177.5	0	0	0	0	110.5	N271	N271-S273 PolarHBondContact O-N 2.92Å
274	I	43.4	Very low	38.8	Very low	109 Å²	109	126.8 Å²	126.8	56%	0.559	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-87.9	119.2	164.9	-67.6	177.1	0	0	0	108.4	L257 Q276	L257-I274 HydrophobicContact CD1-CD1 3.73Å; L257-I274 HydrophobicContact CD2-CD1 4.01Å; L257-I274 HydrophobicContact CG-CD1 3.98Å; I274-Q276 PolarHBondContact O-N 3.11Å
275	T	29.1	Very low	36.9	Very low	122 Å²	122	129.7 Å²	129.7	75%	0.748	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-61	124	169.6	-48.4	0	0	0	0	109.4	T277	T275-T277 PolarHBondContact O-N 3.45Å
276	Q	36.5	Very low	35.9	Very low	137 Å²	137	126.4 Å²	126.4	64%	0.64	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-67.1	120.5	168	-73.6	177.3	-52.8	0	0	109.1	I274 H278	I274-Q276 PolarHBondContact O-N 3.11Å; Q276-H278 PolarHBondContact O-N 3.41Å; Q276-H278 VanDerWaalsContact O-N 3.11Å
277	T	30.5	Very low	35	Very low	131 Å²	131	130.7 Å²	130.7	80%	0.804	72%	0.716	S	S	*	*			trans	-64.8	109.8	164.4	-56	0	0	0	0	107.8	T275 I279	T275-T277 PolarHBondContact O-N 3.45Å; T277-I279 PolarHBondContact O-N 3.35Å
278	H	30.6	Very low	34.7	Very low	158 Å²	158	134 Å²	134	73%	0.731	72%	0.721	S	S	*	*			trans	-64.9	120.1	171.5	-123.2	-97.5	0	0	0	108.4	Q276 E280	Q276-H278 PolarHBondContact O-N 3.41Å; Q276-H278 VanDerWaalsContact O-N 3.11Å; H278-E280 VanDerWaalsContact C-N 3.27Å; H278-E280 HydrophobicContact CB-CG 4.49Å; H278-E280 PolarHBondContact O-N 2.77Å
279	I	34.5	Very low	34.7	Very low	148 Å²	148	135.7 Å²	135.7	76%	0.759	72%	0.723	S	S	*	*			trans	-75.5	89.3	164.6	-58.6	177.2	0	0	0	106.3	T277 E281	T277-I279 PolarHBondContact O-N 3.35Å; I279-E281 VanDerWaalsContact C-N 3.29Å; I279-E281 HydrophobicContact CG2-CG 4.17Å; I279-E281 PolarHBondContact O-N 3.16Å; I279-E281 VanDerWaalsContact O-N 3.08Å
280	E	29.6	Very low	34.4	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.794	72%	0.724	S	S	*	*			trans	-75.5	83.7	167.2	-75	-167	131.5	0	0	109.4	H278 T282	H278-E280 VanDerWaalsContact C-N 3.27Å; H278-E280 HydrophobicContact CB-CG 4.49Å; H278-E280 PolarHBondContact O-N 2.77Å; E280-T282 PolarHBondContact O-N 3.06Å
281	E	36	Very low	33.7	Very low	172 Å²	172	140.1 Å²	140.1	80%	0.804	76%	0.756	S	S	*	*			trans	-59.2	121.8	160.6	-74.4	-154.7	107.1	0	0	109.4	I279 E283	I279-E281 VanDerWaalsContact C-N 3.29Å; I279-E281 HydrophobicContact CG2-CG 4.17Å; I279-E281 PolarHBondContact O-N 3.16Å; I279-E281 VanDerWaalsContact O-N 3.08Å; E281-E283 PolarHBondContact O-N 3.25Å
282	T	27.4	Very low	33.3	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	76%	0.762	S	S	*	*			trans	-78.8	88.7	-177.1	-55.6	0	0	0	0	109.9	E280 R284	E280-T282 PolarHBondContact O-N 3.06Å; T282-R284 PolarHBondContact O-N 3.4Å
283	E	33.9	Very low	32.9	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	78%	0.775	S	S	*	*			trans	-57	109.7	169.5	-92	-157.2	130.5	0	0	110.3	E281 T285	E281-E283 PolarHBondContact O-N 3.25Å; E283-T285 PolarHBondContact O-N 3.15Å; E283-T285 VanDerWaalsContact O-N 3.08Å
284	R	31.6	Very low	32.7	Very low	236 Å²	236	148.5 Å²	148.5	89%	0.891	78%	0.778	S	S	*	*			trans	-85	87.2	-174.4	-160.8	-179.2	-156.1	131.1	5.1	109.6	T282 S286	T282-R284 PolarHBondContact O-N 3.4Å; R284-S286 PolarHBondContact O-N 3.14Å
285	T	27.3	Very low	32.3	Very low	134 Å²	134	150.2 Å²	150.2	82%	0.822	78%	0.784	S	S	*	*			trans	-50.1	135.8	-177.3	-32.3	0	0	0	0	112.3	E283	E283-T285 PolarHBondContact O-N 3.15Å; E283-T285 VanDerWaalsContact O-N 3.08Å
286	S	35.6	Very low	32.5	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	78%	0.781	S	S	*	*			trans	-140	117.1	164.6	58.1	0	0	0	0	110.9	R284	R284-S286 PolarHBondContact O-N 3.14Å
287	D	31.1	Very low	32.1	Very low	146 Å²	146	152 Å²	152	78%	0.781	79%	0.792	S	S	*	*			trans	-27.8	141.5	-179.4	-39.6	-44.3	0	0	0	118.7
288	V	36.3	Very low	32.3	Very low	139 Å²	139	155.4 Å²	155.4	84%	0.842	80%	0.799	S	S	*	*				-156.3	113.2	114.1	173.6	0	0	0	0	111.6
289	N	36.2	Very low	32.4	Very low	131 Å²	131	155.5 Å²	155.5	70%	0.701	80%	0.8	S	S	*	*			trans	17.4	121.8	150.7	-56.6	16.5	0	0	0	123.9
290	D	32	Very low	32.3	Very low	142 Å²	142	153.2 Å²	153.2	76%	0.759	80%	0.795	S	S	*	*				35.4	125.3	117.2	-56.3	-32.6	0	0	0	123.1
291	V	32.5	Very low	32.5	Very low	150 Å²	150	150.4 Å²	150.4	91%	0.909	79%	0.794	S	S	*	*				-143.2	146.1	123.8	-179.4	0	0	0	0	109.2
292	Q	30.7	Very low	32.4	Very low	177 Å²	177	151.5 Å²	151.5	83%	0.827	80%	0.796	S	S	*	*			trans	-105.4	171.4	-173.9	-59.4	173.4	-39.2	0	0	114.4
293	V	32.8	Very low	32.7	Very low	124 Å²	124	153 Å²	153	75%	0.752	79%	0.794	S	S	*	*			trans	151.1	110.2	147.3	157.1	0	0	0	0	107.8
294	E	30.3	Very low	32.7	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	79%	0.787	S	S	*	*				60.5	138.7	78.3	-73.7	-172.4	134.7	0	0	114.1
295	E	33.5	Very low	32.8	Very low	145 Å²	145	143.8 Å²	143.8	68%	0.678	78%	0.781	S	S	*	*			cis	-157.6	160.1	16.3	-140.3	-168.2	147.1	0	0	112.6
296	N	33.2	Very low	33.2	Very low	131 Å²	131	142.8 Å²	142.8	70%	0.701	78%	0.776	S	S	*	*			trans	62.9	124	153.4	-66.6	-37.1	0	0	0	124.2
297	L	29.4	Very low	33	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	78%	0.778	S	S	*	*			trans	-95.8	159.8	154.9	-85.9	82.5	0	0	0	111.6
298	Q	34.7	Very low	33.2	Very low	202 Å²	202	147 Å²	147	94%	0.944	78%	0.784	S	S	*	*			trans	-149.6	115	148.4	-127.7	169.1	9.8	0	0	113.4
299	E	31.4	Very low	32.9	Very low	161 Å²	161	146.5 Å²	146.5	75%	0.752	78%	0.781	S	S	*	*			trans	-89.4	-175.1	166.7	-124.8	-135.7	124.2	0	0	109.3
300	P	33.7	Very low	32.8	Very low	100 Å²	100	143.5 Å²	143.5	65%	0.649	78%	0.781	S	S	*	*			cis	-140	-173.8	11.7	38.9	-17.8	0	0	0	117
301	S	33.5	Very low	33	Very low	110 Å²	110	142 Å²	142	77%	0.769	78%	0.782	S	S	*	*				130.7	160.4	126.8	74.8	0	0	0	0	119.1
302	K	32.9	Very low	33.1	Very low	196 Å²	196	142.7 Å²	142.7	85%	0.852	78%	0.775	S	S	*	*			trans	-98.9	158.7	-157.7	-50.2	162.7	-178.7	174.4	0	112.8
303	E	34.1	Very low	33.3	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	77%	0.774	S	S	*	*				-179	143.9	112.9	-101.9	-166.5	120.4	0	0	115.9
304	N	34.7	Very low	33.1	Very low	136 Å²	136	142.3 Å²	142.3	73%	0.727	78%	0.779	S	S	*	*			trans	61.1	133.8	144.7	-55.8	-22.7	0	0	0	124.5
305	A	32.4	Very low	33.2	Very low	91 Å²	91	139.3 Å²	139.3	75%	0.752	78%	0.783	S	S	*	*			trans	-101.4	-177.4	160.2	0	0	0	0	0	110.5
306	P	37.1	Very low	32.8	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	79%	0.786	S	S	*	*				-157.1	161.5	81.6	39.7	-19	0	0	0	119.5
307	H	31.5	Very low	32.8	Very low	173 Å²	173	138.9 Å²	138.9	80%	0.801	79%	0.792	S	S	*	*			trans	41.5	133	145.9	-60.9	-54.1	0	0	0	125.1
308	L	34.4	Very low	32.7	Very low	173 Å²	173	136.2 Å²	136.2	91%	0.906	78%	0.782	S	S	*	*			trans	-147.5	160.8	130.2	-107.9	168.5	0	0	0	109.7
309	T	31	Very low	32.3	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	78%	0.78	S	S	*	*			trans	-143.5	149.6	-158.1	50.7	0	0	0	0	117.4
310	G	33.2	Very low	32.2	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	78%	0.779	S	S	*	*			trans	176.9	113.4	160.1	0	0	0	0	0	109.2
311	S	35.2	Very low	31.9	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	79%	0.788	S	S	*	*				57.1	126	81.9	-76.8	0	0	0	0	113.2
312	E	34.8	Very low	31.8	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	79%	0.789	S	S	*	*			cis	-156.3	175.5	4.4	-145.6	129.7	-71.3	0	0	108
313	V	34.8	Very low	31.6	Very low	133 Å²	133	138.5 Å²	138.5	81%	0.806	79%	0.787	S	S	*	*			cis	-146.6	163.3	26.5	-169.3	0	0	0	0	110.7
314	N	28.8	Very low	31.3	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	80%	0.795	S	S	*	*			trans	-87.6	149.2	176.3	-93.6	-31.6	0	0	0	115
315	A	32.7	Very low	31	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	80%	0.799	S	S	*	*			trans	-156	113.7	137.3	0	0	0	0	0	110.8
316	S	26.2	Very low	30.8	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	80%	0.802	S	S	*	*			trans	-120.8	137.9	172.5	174.8	0	0	0	0	109.5
317	I	31.7	Very low	30.5	Very low	160 Å²	160	150.6 Å²	150.6	82%	0.821	81%	0.812	S	S	*	*			trans	-131.7	86.4	175.8	-55.7	-176.3	0	0	0	110
318	T	28.3	Very low	30.2	Very low	110 Å²	110	148.4 Å²	148.4	68%	0.675	81%	0.811	S	S	*	*				40.2	113.2	127.4	-40.6	0	0	0	0	118.9	T320	T318-T320 PolarHBondContact O-N 3.49Å
319	Q	25.3	Very low	30.2	Very low	190 Å²	190	145.5 Å²	145.5	89%	0.888	81%	0.805	S	S	*	*			trans	-52.4	132.5	159.5	-77.3	170.9	-68.3	0	0	111.1
320	T	29.9	Very low	30.1	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	81%	0.805	S	S	*	*			trans	-105.7	111	173.7	-54.7	0	0	0	0	109.3	T318	T318-T320 PolarHBondContact O-N 3.49Å
321	H	26.7	Very low	30.1	Very low	183 Å²	183	149.7 Å²	149.7	85%	0.847	81%	0.811	S	S	*	*			trans	-63.9	134.4	161.8	-95.7	-97	0	0	0	108.8
322	I	31.7	Very low	29.9	Very low	152 Å²	152	150.1 Å²	150.1	78%	0.779	81%	0.805	S	S	*	*			trans	-111.7	119.2	164.6	-62.3	179.4	0	0	0	106.5
323	E	29.6	Very low	29.6	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	80%	0.802	S	S	*	*			trans	-78.7	124.6	174.1	-66.2	174.5	115.5	0	0	109.3	T325	E323-T325 PolarHBondContact O-N 3.11Å
324	E	27.3	Very low	29.4	Very low	203 Å²	203	149.1 Å²	149.1	95%	0.949	81%	0.805	S	S	*	*			trans	-62.8	124.3	164.9	-72.7	-172.9	107.1	0	0	109.2
325	T	29.1	Very low	29.5	Very low	129 Å²	129	149.9 Å²	149.9	79%	0.791	80%	0.803	S	S	*	*			trans	-110.2	115	170.9	-57.7	0	0	0	0	108.4	E323	E323-T325 PolarHBondContact O-N 3.11Å
326	E	27.3	Very low	29.3	Very low	176 Å²	176	150.9 Å²	150.9	82%	0.822	80%	0.799	S	S	*	*			trans	-53	142.9	179.8	-61.2	175.7	105.8	0	0	112.6
327	R	31.1	Very low	29.5	Very low	247 Å²	247	153.6 Å²	153.6	93%	0.932	80%	0.799	S	S	*	*			trans	-141.8	114.5	150.6	-122.8	-176.7	-170.9	115	7.1	111.6
328	T	25.5	Very low	29.5	Very low	127 Å²	127	152.9 Å²	152.9	78%	0.779	79%	0.792	S	S	*	*			trans	-77.3	142.9	178.3	42.1	0	0	0	0	112.5
329	S	35	Very low	29.7	Very low	112 Å²	112	154.5 Å²	154.5	78%	0.783	80%	0.797	S	S	*	*			trans	-155.2	125.2	153.1	58.4	0	0	0	0	108.9
330	D	28.3	Very low	29.7	Very low	147 Å²	147	152.6 Å²	152.6	79%	0.786	79%	0.792	S	S	*	*			trans	-74.2	155.8	-169.3	-39	-99	0	0	0	113.5
331	V	32.5	Very low	29.8	Very low	137 Å²	137	156.5 Å²	156.5	83%	0.83	80%	0.802	S	S	*	*				-163.2	112.5	116.8	169.5	0	0	0	0	110.3
332	N	30.8	Very low	29.9	Very low	121 Å²	121	156.1 Å²	156.1	65%	0.647	80%	0.801	S	S	*	*			trans	20.2	132.2	147.9	-72.1	67.8	0	0	0	124.7
333	D	28.9	Very low	30	Very low	133 Å²	133	153.7 Å²	153.7	71%	0.711	80%	0.795	S	S	*	*			trans	62.5	133.8	133.4	-46.8	-28.9	0	0	0	119.5
334	V	31.4	Very low	30.1	Very low	142 Å²	142	151.4 Å²	151.4	86%	0.861	80%	0.798	S	S	*	*			cis	-142.1	160.3	45.2	166	0	0	0	0	112.8
335	Q	29.7	Very low	30.3	Very low	175 Å²	175	151.4 Å²	151.4	82%	0.818	80%	0.795	S	S	*	*			trans	-90.4	-171.9	-172.2	-53.4	173.6	-88.9	0	0	115.7
336	V	30.1	Very low	30.4	Very low	126 Å²	126	153.6 Å²	153.6	76%	0.764	80%	0.796	S	S	*	*			trans	98.4	123.9	156.5	-178.2	0	0	0	0	115.5
337	E	30.3	Very low	30.6	Very low	163 Å²	163	151.8 Å²	151.8	76%	0.762	79%	0.792	S	S	*	*			cis	-162.8	172	-14.5	-165	149.4	-131.3	0	0	111.4
338	E	30.8	Very low	30.6	Very low	145 Å²	145	144.3 Å²	144.3	68%	0.678	78%	0.783	S	S	*	*			trans	-22.5	145.4	175.6	-62	-175.4	124.8	0	0	119.1
339	N	32.5	Very low	31	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	78%	0.78	S	S	*	*				-162.2	153.3	72.4	-98.2	-89.6	0	0	0	115.5
340	L	26.2	Very low	30.6	Very low	150 Å²	150	146.1 Å²	146.1	79%	0.785	78%	0.779	S	S	*	*			trans	-97.3	147.8	173.9	-73.6	68.9	0	0	0	110.8
341	Q	31.9	Very low	30.6	Very low	201 Å²	201	147 Å²	147	94%	0.939	78%	0.783	S	S	*	*			trans	-164.1	112.5	130.9	-113.9	166.4	-9	0	0	115.1
342	E	27.7	Very low	30.3	Very low	176 Å²	176	146.8 Å²	146.8	82%	0.822	78%	0.782	S	S	*	*			trans	-106.2	-178.6	153.5	-120.4	-156.3	161.4	0	0	107.5
343	P	34.3	Very low	30.1	Very low	100 Å²	100	144.4 Å²	144.4	65%	0.649	79%	0.786	S	S	*	*			cis	-130.4	-176.5	-31.7	37.1	-21.8	0	0	0	111.5
344	S	32.5	Very low	30.1	Very low	124 Å²	124	143.1 Å²	143.1	87%	0.867	79%	0.788	S	S	*	*			trans	-167.4	161.3	141.6	27.7	0	0	0	0	112.6
345	K	29.8	Very low	29.9	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	78%	0.776	S	S	*	*			trans	-113.9	149.1	-174.5	-53.8	165.3	179.5	175	0	109.8
346	E	31.8	Very low	29.8	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	78%	0.776	S	S	*	*			trans	-148.4	124.4	140	-159	158.8	-178.1	0	0	115.3
347	N	32.4	Very low	29.6	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	77%	0.773	S	S	*	*			trans	30.8	137.5	151.1	-54.7	-33.3	0	0	0	123.9
348	A	29.5	Very low	29.6	Very low	91 Å²	91	142.5 Å²	142.5	75%	0.752	78%	0.779	S	S	*	*			trans	-85.5	-173.4	166.1	0	0	0	0	0	111.1
349	P	33.7	Very low	29.3	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	78%	0.779	S	S	*	*			cis	-151.7	167.3	48.4	42.4	-20.8	0	0	0	120.4
350	H	28	Very low	29.1	Very low	167 Å²	167	141 Å²	141	77%	0.773	78%	0.782	S	S	*	*			trans	44.7	125.9	146	-73.5	-64.5	0	0	0	122.8
351	L	27	Very low	28.9	Very low	165 Å²	165	140 Å²	140	86%	0.864	78%	0.782	S	S	*	*				-166.5	173.1	101.1	-100.4	164	0	0	0	112.1
352	T	26.7	Very low	28.7	Very low	133 Å²	133	139 Å²	139	82%	0.816	78%	0.777	S	S	*	*			trans	-151.5	148.1	-162.3	50.7	0	0	0	0	114.6
353	G	27	Very low	28.6	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	78%	0.775	S	S	*	*			trans	132	130.2	175.8	0	0	0	0	0	110.4
354	S	29.7	Very low	28.1	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	78%	0.783	S	S	*	*			cis	60.3	135.5	39.2	-114.2	0	0	0	0	112.8
355	E	27.2	Very low	27.9	Very low	129 Å²	129	142 Å²	142	60%	0.603	78%	0.78	S	S	*	*			cis	-167.8	155.5	2.3	-150	172.2	130.8	0	0	109.3	K357	E355-K357 IonicContact OE1-NZ 2.66Å; E355-K357 PolarHBondContact OE1-NZ 3.04Å
356	V	27.2	Very low	27.6	Very low	134 Å²	134	140.4 Å²	140.4	81%	0.812	78%	0.776	S	S	*	*			trans	-139	126.5	155.7	-177.8	0	0	0	0	109.8
357	K	25.8	Very low	27.4	Very low	162 Å²	162	141.5 Å²	141.5	70%	0.704	78%	0.782	S	S	*	*			trans	-107.7	145.6	160.9	-66.3	-177.2	174.7	78.3	0	107.8	E355	E355-K357 IonicContact OE1-NZ 2.66Å; E355-K357 PolarHBondContact OE1-NZ 3.04Å
358	D	29.5	Very low	27	Very low	168 Å²	168	141 Å²	141	90%	0.898	78%	0.783	S	S	*	*			trans	-114.9	152.7	151.9	-108.3	-45.2	0	0	0	109.4
359	S	25.1	Very low	27	Very low	96 Å²	96	146 Å²	146	67%	0.671	79%	0.791	S	S	*	*			trans	-138.9	128.8	-168.4	-178.1	0	0	0	0	111.3
360	I	27.4	Very low	26.6	Very low	163 Å²	163	149.5 Å²	149.5	84%	0.836	80%	0.795	S	S	*	*			trans	-129.1	113.7	167	-59.1	-178.6	0	0	0	108
361	T	23.3	Very low	26.4	Very low	127 Å²	127	147.4 Å²	147.4	78%	0.779	80%	0.795	S	S	*	*			trans	-113.9	132	166.2	-51.9	0	0	0	0	107.7
362	Q	26.8	Very low	26.5	Very low	182 Å²	182	145.2 Å²	145.2	85%	0.85	79%	0.793	S	S	*	*			trans	-133.3	158.6	167.3	-160	157.5	-0.9	0	0	110.5
363	T	25.9	Very low	26.3	Very low	125 Å²	125	142.3 Å²	142.3	77%	0.767	79%	0.79	S	S	*	*			trans	-107.9	154.8	-145.9	-33.5	0	0	0	0	113.7
364	H	24.6	Very low	26.2	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.815	79%	0.794	S	S	*	*			trans	-41.8	142.8	170.8	-76.4	-92.4	0	0	0	114.7
365	I	26.7	Very low	25.9	Very low	160 Å²	160	147.6 Å²	147.6	82%	0.821	80%	0.797	S	S	*	*			trans	-130.3	125.4	143.1	-62.1	-178.6	0	0	0	106.8
366	E	24.5	Very low	25.9	Very low	172 Å²	172	147.9 Å²	147.9	80%	0.804	81%	0.808	S	S	*	*			trans	-84.5	140.1	164.3	-65.4	176.5	108.9	0	0	109.1
367	E	27.5	Very low	25.7	Very low	197 Å²	197	147 Å²	147	92%	0.921	80%	0.802	S	S	*	*			trans	-140.6	143.4	155.9	-145.5	163.9	-140.7	0	0	109.7
368	T	23.7	Very low	25.9	Very low	127 Å²	127	147.2 Å²	147.2	78%	0.779	81%	0.805	S	S	*	*			trans	-126.4	120.7	-163.3	-36.6	0	0	0	0	110.9
369	E	30.6	Very low	25.8	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	80%	0.798	S	S	*	*			trans	-138.8	151.6	166.6	-122.2	179.7	-167.8	0	0	114.2
370	K	24.1	Very low	25.8	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	80%	0.803	S	S	*	*			trans	-103.8	162	176.1	-62.6	168.8	-179.3	169.8	0	106.5
371	T	25.1	Very low	25.9	Very low	123 Å²	123	146.6 Å²	146.6	76%	0.755	81%	0.805	S	S	*	*				175.8	148.9	61.4	-45.4	0	0	0	0	109.1
372	S	27.5	Very low	26	Very low	118 Å²	118	148.3 Å²	148.3	83%	0.825	81%	0.809	S	S	*	*			trans	63.9	134.5	166.1	-67.5	0	0	0	0	117.6
373	G	23.6	Very low	26.1	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	81%	0.81	S	S	*	*			cis	113.9	93.1	-3.2	0	0	0	0	0	114
374	V	24.9	Very low	26.3	Very low	134 Å²	134	150.3 Å²	150.3	81%	0.812	81%	0.814	S	S	*	*			trans	-142	126.8	163.8	177.9	0	0	0	0	108	V376	V374-V376 HydrophobicContact CG1-CG2 4.46Å
375	N	23.2	Very low	26.4	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	82%	0.815	S	S	*	*			trans	-89.6	137.8	169.6	-68.7	-1.5	0	0	0	109.8
376	V	27.8	Very low	26.5	Very low	135 Å²	135	148.4 Å²	148.4	82%	0.818	81%	0.812	S	S	*	*			trans	-133.1	130	155.7	-177.9	0	0	0	0	108.1	V374	V374-V376 HydrophobicContact CG1-CG2 4.46Å
377	V	22.8	Very low	26.8	Very low	114 Å²	114	145 Å²	145	69%	0.691	81%	0.807	S	S	*	*			trans	-124	131.3	175.2	172.8	0	0	0	0	107.4
378	H	29.5	Very low	26.8	Very low	167 Å²	167	145.6 Å²	145.6	77%	0.773	81%	0.807	S	S	*	*			trans	-164.5	117	147.7	-92.2	-47.7	0	0	0	107.7
379	D	28.2	Very low	27.1	Very low	138 Å²	138	147.6 Å²	147.6	74%	0.738	81%	0.807	S	S	*	*				66.6	98.5	89.5	-80.9	-51.1	0	0	0	112.8
380	G	23.5	Very low	27.2	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	80%	0.799	S	S	*	*			trans	-78.3	159.6	174.6	0	0	0	0	0	113.6
381	K	31.2	Very low	27.4	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	80%	0.798	S	S	*	*			trans	-158.6	123.7	165.6	-119.7	166.3	-171.8	165.2	0	112
382	N	23.8	Very low	27.7	Very low	163 Å²	163	140.1 Å²	140.1	87%	0.872	80%	0.797	S	S	*	*			trans	-61.2	140.9	163.3	-67.7	-21.4	0	0	0	110.2
383	L	30.5	Very low	27.7	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	80%	0.795	S	S	*	*			trans	-156.1	137.1	156.9	-110.3	151.1	0	0	0	109.5
384	Q	29.8	Very low	28	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	80%	0.803	S	S	*	*			trans	-80.4	171.7	-175.4	-65.9	157.8	-77.4	0	0	111.7
385	E	26.2	Very low	28.1	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.8	S	S	*	*			trans	-47.6	157.2	170.5	-69.6	-166	98.5	0	0	113.2
386	P	28	Very low	28.3	Very low	117 Å²	117	143.6 Å²	143.6	76%	0.76	80%	0.802	S	S	*	*				-143.7	133.3	106.2	36.6	-23.2	0	0	0	116.3
387	S	30.8	Very low	28.5	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	81%	0.805	S	S	*	*			trans	48.1	121.6	138.6	68	0	0	0	0	121.7
388	K	28.3	Very low	28.7	Very low	211 Å²	211	145 Å²	145	92%	0.917	81%	0.806	S	S	*	*			trans	-17.6	129.8	152.5	-56.7	166.8	-177.7	170.7	0	116.7
389	E	30.8	Very low	28.7	Very low	168 Å²	168	144 Å²	144	79%	0.785	81%	0.811	S	S	*	*				-162.1	133.4	124.6	-170.3	158.4	-170.2	0	0	113.2
390	N	32.5	Very low	28.6	Very low	139 Å²	139	144.6 Å²	144.6	74%	0.743	81%	0.807	S	S	*	*			trans	37	124.9	159.7	-56.1	-25.6	0	0	0	122.9
391	A	27.5	Very low	29	Very low	93 Å²	93	148.1 Å²	148.1	77%	0.769	81%	0.808	S	S	*	*			trans	-77.1	170.5	161.7	0	0	0	0	0	112.4
392	P	32.6	Very low	28.9	Very low	113 Å²	113	144.3 Å²	144.3	73%	0.734	81%	0.807	S	S	*	*				-150.2	156.1	88.9	38.4	-21.1	0	0	0	117.8
393	H	27.1	Very low	28.9	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	80%	0.804	S	S	*	*			trans	43.2	120.4	150.9	-71.8	-67.1	0	0	0	122.3
394	L	29.9	Very low	28.7	Very low	174 Å²	174	142.6 Å²	142.6	91%	0.911	80%	0.802	S	S	*	*				-146.1	164	123.4	-109.6	166.5	0	0	0	109.7
395	T	26.5	Very low	28.4	Very low	124 Å²	124	142 Å²	142	76%	0.761	80%	0.799	S	S	*	*			trans	-129	143.7	-155.3	52.5	0	0	0	0	115.3
396	G	27.9	Very low	28.5	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	80%	0.796	S	S	*	*			trans	138.1	105	139.3	0	0	0	0	0	118.4
397	S	31	Very low	28.3	Very low	128 Å²	128	141 Å²	141	90%	0.895	79%	0.793	S	S	*	*				-168.4	147.8	129.6	-162.4	0	0	0	0	109.8
398	E	27.5	Very low	28.3	Very low	150 Å²	150	144.2 Å²	144.2	70%	0.701	80%	0.801	S	S	*	*			trans	-108.4	137.8	-179.2	-70.5	179	90	0	0	112.3	K400	E398-K400 WeakPolarHBondContact OE1-CE 3.48Å; E398-K400 IonicContact OE1-NZ 3.55Å
399	V	29.5	Very low	28.3	Very low	147 Å²	147	141.7 Å²	141.7	89%	0.891	79%	0.792	S	S	*	*			trans	-139.5	145.3	143.6	-175	0	0	0	0	107.7
400	K	25.8	Very low	28.1	Very low	150 Å²	150	142 Å²	142	65%	0.652	79%	0.794	S	S	*	*			trans	-110.5	155.5	178.8	-60.2	171.6	-178.4	158.9	0	108.6	E398	E398-K400 WeakPolarHBondContact OE1-CE 3.48Å; E398-K400 IonicContact OE1-NZ 3.55Å
401	D	31.9	Very low	28	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	80%	0.795	S	S	*	*				-172.6	166.8	81.7	-102.5	-26.1	0	0	0	115.1
402	S	28.6	Very low	28	Very low	122 Å²	122	145.6 Å²	145.6	85%	0.853	80%	0.799	S	S	*	*			trans	69.3	131.7	164.3	-85	0	0	0	0	120.7
403	I	24.7	Very low	27.8	Very low	158 Å²	158	152 Å²	152	81%	0.81	81%	0.809	S	S	*	*			trans	-128	140.9	177.1	-64.6	161.9	0	0	0	107.2
404	T	26.3	Very low	27.8	Very low	135 Å²	135	150.6 Å²	150.6	83%	0.828	81%	0.812	S	S	*	*			trans	-152.4	124.2	143.6	-67.4	0	0	0	0	109
405	Q	24.1	Very low	28	Very low	168 Å²	168	147.4 Å²	147.4	79%	0.785	80%	0.804	S	S	*	*			trans	-133.6	130.4	173.6	-173.8	-178.2	15.6	0	0	107.5
406	T	26.7	Very low	28	Very low	127 Å²	127	148.8 Å²	148.8	78%	0.779	81%	0.807	S	S	*	*			trans	-120	107.2	-175.7	-9.3	0	0	0	0	110.5
407	H	25	Very low	28.3	Very low	149 Å²	149	151.6 Å²	151.6	69%	0.69	81%	0.807	S	S	*	*			trans	-74.6	135.1	164.6	-97.5	-107.3	0	0	0	110.1
408	I	30.6	Very low	28.3	Very low	168 Å²	168	152 Å²	152	86%	0.862	80%	0.799	S	S	*	*			trans	-134.1	140.5	144.6	-59.6	-176.6	0	0	0	106.8
409	E	27	Very low	28.3	Very low	157 Å²	157	152 Å²	152	73%	0.734	80%	0.804	S	S	*	*			trans	-133.9	169.4	-173.8	-169.8	172.3	-171.9	0	0	108.7
410	E	28.4	Very low	28.3	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.822	80%	0.803	S	S	*	*			trans	65.8	152.7	179.4	-67.2	-169.2	139.7	0	0	116.6
411	T	28.7	Very low	28.4	Very low	124 Å²	124	153.7 Å²	153.7	76%	0.761	81%	0.814	S	S	*	*			cis	-141.4	156.9	-2.9	-23.1	0	0	0	0	110.7
412	E	28.7	Very low	28.4	Very low	183 Å²	183	153.6 Å²	153.6	86%	0.855	82%	0.819	S	S	*	*			trans	-67	146.5	165.6	-64.2	-179.2	105.5	0	0	113.4
413	R	28.2	Very low	28.4	Very low	248 Å²	248	156.2 Å²	156.2	94%	0.936	82%	0.818	S	S	*	*			trans	-163.9	135.3	138.7	-117.1	174.6	-166.7	135.1	9.1	114
414	T	26.4	Very low	28.9	Very low	141 Å²	141	155.9 Å²	155.9	87%	0.865	81%	0.813	S	S	*	*			trans	-102.8	137.7	172	35.5	0	0	0	0	111.8
415	S	34.5	Very low	29.1	Very low	108 Å²	108	154.8 Å²	154.8	76%	0.755	80%	0.802	S	S	*	*			trans	-171.5	113.5	153.2	58.2	0	0	0	0	112.7
416	D	27.6	Very low	29.5	Very low	152 Å²	152	153.7 Å²	153.7	81%	0.813	80%	0.8	S	S	*	*			trans	13.6	136.9	145	-39.8	-33.1	0	0	0	121.5
417	V	33.5	Very low	29.8	Very low	143 Å²	143	155.8 Å²	155.8	87%	0.867	80%	0.801	S	S	*	*				173.7	150	108.9	154.8	0	0	0	0	111.7
418	N	31.7	Very low	30	Very low	136 Å²	136	156.2 Å²	156.2	73%	0.727	80%	0.804	S	S	*	*			trans	-76.9	154.5	-164.2	-49.2	7.1	0	0	0	117.9
419	D	26.6	Very low	30.2	Very low	149 Å²	149	153.3 Å²	153.3	80%	0.797	80%	0.796	S	S	*	*			trans	22.1	120.8	136.7	-47.3	-36.7	0	0	0	121.8
420	V	29.9	Very low	30.6	Very low	145 Å²	145	151.2 Å²	151.2	88%	0.879	80%	0.798	S	S	*	*			trans	-145.7	139	141.5	-177.4	0	0	0	0	109.6
421	Q	28.2	Very low	30.7	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	80%	0.797	S	S	*	*			trans	-87.1	144.7	176.2	-58	171.3	-77.8	0	0	112.9
422	V	31.9	Very low	30.9	Very low	149 Å²	149	154.3 Å²	154.3	90%	0.903	80%	0.801	S	S	*	*			trans	-141.7	154.3	155.1	-175.4	0	0	0	0	108.4
423	E	28.6	Very low	31.2	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.822	80%	0.802	S	S	*	*			trans	-117.7	160.4	-158.3	-151.5	177.5	158.2	0	0	113.8
424	E	34.1	Very low	31.6	Very low	152 Å²	152	144.9 Å²	144.9	71%	0.71	79%	0.785	S	S	*	*			trans	59.9	115.1	152.7	-144.5	-164.7	-142.5	0	0	120.7
425	N	30	Very low	32.2	Very low	112 Å²	112	142.2 Å²	142.2	60%	0.599	77%	0.77	S	S	*	*				167.3	139.9	105.9	-96	-78.1	0	0	0	114.9
426	L	32.3	Very low	32.5	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	77%	0.769	S	S	*	*			trans	65	139.5	154.9	-62.7	162.9	0	0	0	117.6
427	Q	33.7	Very low	32.9	Very low	171 Å²	171	143.2 Å²	143.2	80%	0.799	76%	0.761	S	S	*	*			cis	-155.4	148.4	-2.3	-157.8	164.7	-29.5	0	0	110.3
428	E	28.9	Very low	33.1	Very low	159 Å²	159	141 Å²	141	74%	0.743	75%	0.745	S	S	*	*			trans	-92.6	140.2	-173.1	-177.7	-173.6	-149.3	0	0	113.8
429	P	34.6	Very low	33.7	Very low	106 Å²	106	137 Å²	137	69%	0.688	73%	0.727	S	S	*	*			trans	-114.9	121.7	158.8	34.7	-23.4	0	0	0	113.4
430	S	35.5	Very low	34.5	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	71%	0.712	S	S	*	*			trans	33.3	117.6	152.9	56.2	0	0	0	0	120.7
431	K	32.1	Very low	35.3	Very low	184 Å²	184	130.7 Å²	130.7	80%	0.8	69%	0.691	S	S	*	*			trans	-72.3	120.3	167.7	-61.3	168.5	-178.4	172.1	0	112.7
432	E	31	Very low	36.4	Very low	181 Å²	181	127.2 Å²	127.2	85%	0.846	67%	0.674	S	S	*	*			trans	-157.2	176	140	-121	165.5	148.5	0	0	108.9
433	N	36.5	Very low	37.2	Very low	161 Å²	161	124.2 Å²	124.2	86%	0.861	66%	0.656	S	S	*	*			trans	63.2	69.8	-179.9	-55	-15.2	0	0	0	116.1
434	A	35.2	Very low	38.2	Very low	72 Å²	72	119.9 Å²	119.9	60%	0.595	64%	0.638	S	S	*	*			trans	-117.8	1.8	177.8	0	0	0	0	0	119.6
435	P	40.8	Very low	38.9	Very low	85 Å²	85	118.9 Å²	118.9	55%	0.552	63%	0.633	S	S	*	*	H	α-helix	trans	-80.2	-48.8	-179.1	29.7	-31.9	0	0	0	114	L437 N438	P435-L437 VanDerWaalsContact C-N 3.31Å; P435-L437 PolarHBondContact O-N 3.24Å; P435-N438 PolarHBondContact O-N 3.5Å
436	H	39.5	Very low	39.8	Very low	157 Å²	157	118.1 Å²	118.1	73%	0.727	63%	0.629	S	S	*	*	H	α-helix	trans	-62	-31.6	-169.2	-81.6	-81.7	0	0	0	114.9	T440	H436-T440 PolarHBondContact O-N 3.23Å; H436-T440 PolarHBondContact O-OG1 3.08Å
437	L	36.8	Very low	40.7	Very low	124 Å²	124	113.9 Å²	113.9	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-69	-38.8	-177.5	-162.6	71.1	0	0	0	111.8	P435 T440 I441	P435-L437 VanDerWaalsContact C-N 3.31Å; P435-L437 PolarHBondContact O-N 3.24Å; L437-T440 PolarHBondContact O-N 2.95Å; L437-I441 HydrophobicContact CG-CD1 4.28Å; L437-I441 VanDerWaalsContact O-CG1 3.32Å; L437-I441 WeakPolarHBondContact O-CG1 3.46Å; L437-I441 PolarHBondContact O-N 2.76Å; L437-I441 VanDerWaalsContact O-N 3.12Å
438	N	36.7	Very low	41.1	Very low	97 Å²	97	111.7 Å²	111.7	52%	0.519	60%	0.601	S	S	.	*	H	α-helix	trans	-68.7	-46.8	-179.9	-68.6	-5.8	0	0	0	111.4	P435 T440 I441 E442	P435-N438 PolarHBondContact O-N 3.5Å; N438-T440 PolarHBondContact O-N 2.94Å; N438-I441 PolarHBondContact O-N 3.49Å; N438-E442 PolarHBondContact O-N 3.33Å
439	S	44.5	Very low	41.9	Very low	51 Å²	51	109.3 Å²	109.3	36%	0.357	59%	0.593	S	S	.	*	H	α-helix	trans	-57.8	-38.2	177.1	-173.3	0	0	0	0	112.2	T443	S439-T443 WeakPolarHBondContact O-CB 3.46Å; S439-T443 PolarHBondContact O-N 2.88Å; S439-T443 PolarHBondContact O-OG1 2.91Å
440	T	44	Very low	42.6	Very low	77 Å²	77	108.1 Å²	108.1	47%	0.472	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-44.2	174.4	-52.8	0	0	0	0	111.9	H436 L437 N438 T443 I444	H436-T440 PolarHBondContact O-N 3.23Å; H436-T440 PolarHBondContact O-OG1 3.08Å; L437-T440 PolarHBondContact O-N 2.95Å; N438-T440 PolarHBondContact O-N 2.94Å; T440-T443 PolarHBondContact O-N 3.35Å; T440-I444 HydrophobicContact CG2-CD1 4.26Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 2.98Å; T440-I444 VanDerWaalsContact O-N 3.1Å
441	I	45.8	Very low	43.3	Very low	85 Å²	85	110.3 Å²	110.3	44%	0.436	58%	0.58	S	S	.	*	H	α-helix	trans	-65.2	-47.1	178.3	-68.8	165.5	0	0	0	111	L437 N438 T443 I444 E445	L437-I441 HydrophobicContact CG-CD1 4.28Å; L437-I441 VanDerWaalsContact O-CG1 3.32Å; L437-I441 WeakPolarHBondContact O-CG1 3.46Å; L437-I441 PolarHBondContact O-N 2.76Å; L437-I441 VanDerWaalsContact O-N 3.12Å; N438-I441 PolarHBondContact O-N 3.49Å; I441-T443 VanDerWaalsContact C-N 3.32Å; I441-T443 PolarHBondContact O-N 3.02Å; I441-I444 WeakPolarHBondContact O-CB 3.31Å; I441-I444 PolarHBondContact O-N 2.87Å; I441-I444 VanDerWaalsContact O-N 3.16Å; I441-E445 PolarHBondContact O-N 3.07Å
442	E	51.1	Low	44.4	Very low	115 Å²	115	105 Å²	105	54%	0.537	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-38.2	178.2	-71.3	-172.6	178.7	0	0	112.2	N438 I444 E445 L446	N438-E442 PolarHBondContact O-N 3.33Å; E442-I444 PolarHBondContact O-N 3.36Å; E442-E445 PolarHBondContact O-N 3.39Å; E442-L446 WeakPolarHBondContact O-CB 3.29Å; E442-L446 PolarHBondContact O-N 3.13Å
443	T	48.7	Very low	45.7	Very low	86 Å²	86	98.6 Å²	98.6	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-41.1	174.9	-58.9	0	0	0	0	111.5	S439 T440 I441 L446 S447	S439-T443 WeakPolarHBondContact O-CB 3.46Å; S439-T443 PolarHBondContact O-N 2.88Å; S439-T443 PolarHBondContact O-OG1 2.91Å; T440-T443 PolarHBondContact O-N 3.35Å; I441-T443 VanDerWaalsContact C-N 3.32Å; I441-T443 PolarHBondContact O-N 3.02Å; T443-L446 PolarHBondContact O-N 2.7Å; T443-S447 PolarHBondContact O-N 3.44Å
444	I	50.9	Low	46.9	Very low	85 Å²	85	100 Å²	100	44%	0.436	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-47.8	174	-68.7	165.9	0	0	0	110.3	T440 I441 E442 L446 S447 Q448	T440-I444 HydrophobicContact CG2-CD1 4.26Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 2.98Å; T440-I444 VanDerWaalsContact O-N 3.1Å; I441-I444 WeakPolarHBondContact O-CB 3.31Å; I441-I444 PolarHBondContact O-N 2.87Å; I441-I444 VanDerWaalsContact O-N 3.16Å; E442-I444 PolarHBondContact O-N 3.36Å; I444-L446 PolarHBondContact O-N 3.41Å; I444-S447 PolarHBondContact O-N 2.94Å; I444-S447 PolarHBondContact O-OG 2.91Å; I444-Q448 WeakPolarHBondContact O-CG 3.16Å; I444-Q448 PolarHBondContact O-N 3.3Å
445	E	48.7	Very low	48.6	Very low	131 Å²	131	104.4 Å²	104.4	61%	0.612	54%	0.537	S	S	*	.	H	α-helix	trans	-59.5	-43	177.1	-71.4	-157.7	160.6	0	0	112.3	I441 E442 S447 Q448 N449	I441-E445 PolarHBondContact O-N 3.07Å; E442-E445 PolarHBondContact O-N 3.39Å; E445-S447 VanDerWaalsContact C-N 3.33Å; E445-S447 PolarHBondContact O-N 3.46Å; E445-Q448 PolarHBondContact O-N 3.23Å; E445-N449 VanDerWaalsContact O-CB 3.23Å; E445-N449 WeakPolarHBondContact O-CB 3.5Å; E445-N449 PolarHBondContact O-N 3.11Å
446	L	49.3	Very low	50.1	Low	97 Å²	97	105 Å²	105	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.9	-163.1	72.6	0	0	0	111.7	L217 E442 T443 I444 N449 T450	L217-L446 HydrophobicContact CD2-CD2 4.08Å; E442-L446 WeakPolarHBondContact O-CB 3.29Å; E442-L446 PolarHBondContact O-N 3.13Å; T443-L446 PolarHBondContact O-N 2.7Å; I444-L446 PolarHBondContact O-N 3.41Å; L446-N449 PolarHBondContact O-N 2.75Å; L446-T450 WeakPolarHBondContact O-CG2 3.26Å; L446-T450 PolarHBondContact O-N 3.3Å; L446-T450 PolarHBondContact O-OG1 3.26Å
447	S	49.5	Very low	51.7	Low	55 Å²	55	104.7 Å²	104.7	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-68	-33.3	175.9	83	0	0	0	0	113.3	T443 I444 E445 T450 K451	T443-S447 PolarHBondContact O-N 3.44Å; I444-S447 PolarHBondContact O-N 2.94Å; I444-S447 PolarHBondContact O-OG 2.91Å; E445-S447 VanDerWaalsContact C-N 3.33Å; E445-S447 PolarHBondContact O-N 3.46Å; S447-T450 PolarHBondContact O-OG1 3.1Å; S447-T450 VanDerWaalsContact O-OG1 3.1Å; S447-K451 WeakPolarHBondContact O-CG 3.16Å; S447-K451 PolarHBondContact O-N 3.21Å
448	Q	44	Very low	53.6	Low	124 Å²	124	104 Å²	104	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-76.3	-41	175.2	-69	-174.6	20.1	0	0	111.4	I444 E445 K451 S452	I444-Q448 WeakPolarHBondContact O-CG 3.16Å; I444-Q448 PolarHBondContact O-N 3.3Å; E445-Q448 PolarHBondContact O-N 3.23Å; Q448-K451 PolarHBondContact O-N 3.43Å; Q448-S452 WeakPolarHBondContact O-CB 3.13Å; Q448-S452 PolarHBondContact O-N 2.93Å
449	N	45.3	Very low	55.7	Low	109 Å²	109	102 Å²	102	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-66.8	-38.7	-179.3	-163.2	1.5	0	0	0	111.7	E445 L446 S452 S453	E445-N449 VanDerWaalsContact O-CB 3.23Å; E445-N449 WeakPolarHBondContact O-CB 3.5Å; E445-N449 PolarHBondContact O-N 3.11Å; L446-N449 PolarHBondContact O-N 2.75Å; N449-S452 PolarHBondContact O-N 2.93Å; N449-S453 VanDerWaalsContact O-CB 3.3Å; N449-S453 WeakPolarHBondContact O-CB 3.44Å; N449-S453 PolarHBondContact O-N 3.26Å
450	T	49	Very low	57.6	Low	81 Å²	81	103.9 Å²	103.9	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-39.5	172.7	46	0	0	0	0	113	L446 S447 R454	L446-T450 WeakPolarHBondContact O-CG2 3.26Å; L446-T450 PolarHBondContact O-N 3.3Å; L446-T450 PolarHBondContact O-OG1 3.26Å; S447-T450 PolarHBondContact O-OG1 3.1Å; S447-T450 VanDerWaalsContact O-OG1 3.1Å; T450-R454 PolarHBondContact O-N 3.45Å
451	K	49.2	Very low	59.5	Low	159 Å²	159	103.1 Å²	103.1	69%	0.691	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-44.3	171.3	-74.3	176	-180	172.8	0	112.2	S447 Q448 R454 Y455	S447-K451 WeakPolarHBondContact O-CG 3.16Å; S447-K451 PolarHBondContact O-N 3.21Å; Q448-K451 PolarHBondContact O-N 3.43Å; K451-R454 PolarHBondContact O-N 3.4Å; K451-Y455 PolarHBondContact O-N 3.46Å
452	S	55.6	Low	61.3	Low	73 Å²	73	104.3 Å²	104.3	51%	0.51	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-44.6	176.6	-173.6	0	0	0	0	112.2	Q448 N449 R454 Y455 L456	Q448-S452 WeakPolarHBondContact O-CB 3.13Å; Q448-S452 PolarHBondContact O-N 2.93Å; N449-S452 PolarHBondContact O-N 2.93Å; S452-R454 PolarHBondContact O-N 3.44Å; S452-Y455 PolarHBondContact O-N 3.26Å; S452-L456 PolarHBondContact O-N 3.3Å
453	S	58	Low	62.9	Low	47 Å²	47	101.3 Å²	101.3	33%	0.329	52%	0.518	S	S	.	.	H	α-helix	trans	-57.8	-46.8	176.5	-176.4	0	0	0	0	112.2	N449 Y455 L456 Y457	N449-S453 VanDerWaalsContact O-CB 3.3Å; N449-S453 WeakPolarHBondContact O-CB 3.44Å; N449-S453 PolarHBondContact O-N 3.26Å; S453-Y455 VanDerWaalsContact C-N 3.32Å; S453-Y455 PolarHBondContact O-N 3.02Å; S453-L456 PolarHBondContact O-N 3.37Å; S453-L456 VanDerWaalsContact O-N 3.16Å; S453-Y457 WeakPolarHBondContact O-CD2 3.25Å; S453-Y457 PolarHBondContact O-N 2.92Å
454	R	63.3	Low	64.9	Low	191 Å²	191	100.8 Å²	100.8	72%	0.721	52%	0.515	S	S	*	.	H	α-helix	trans	-57.4	-42.7	176.4	-73.1	-173.8	-179.8	-161	0.6	112.3	T450 K451 S452 I458	T450-R454 PolarHBondContact O-N 3.45Å; K451-R454 PolarHBondContact O-N 3.4Å; S452-R454 PolarHBondContact O-N 3.44Å; R454-I458 WeakPolarHBondContact O-CG1 3.31Å; R454-I458 PolarHBondContact O-N 3.28Å
455	Y	69	Low	66.5	Low	164 Å²	164	99.5 Å²	99.5	64%	0.643	51%	0.513	S	S	*	.	H	α-helix	trans	-63.4	-46.4	175.6	-177.8	-97.4	0	0	0	111.9	K451 S452 S453 Y457 I458 V459	K451-Y455 PolarHBondContact O-N 3.46Å; S452-Y455 PolarHBondContact O-N 3.26Å; S453-Y455 VanDerWaalsContact C-N 3.32Å; S453-Y455 PolarHBondContact O-N 3.02Å; Y455-Y457 PolarHBondContact O-N 2.93Å; Y455-I458 PolarHBondContact O-N 3.36Å; Y455-V459 HydrophobicContact CD1-CG2 4.27Å; Y455-V459 HydrophobicContact CD2-CG2 4Å; Y455-V459 HydrophobicContact CE1-CB 4.45Å; Y455-V459 HydrophobicContact CE1-CG2 4Å; Y455-V459 HydrophobicContact CE2-CG2 3.71Å; Y455-V459 HydrophobicContact CG-CG2 4.28Å; Y455-V459 WeakPolarHBondContact O-CB 3.26Å; Y455-V459 WeakPolarHBondContact O-CG2 3.38Å; Y455-V459 PolarHBondContact O-N 3.09Å
456	L	74.1	Confident	68.3	Low	97 Å²	97	100 Å²	100	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-59.5	-45.1	179.8	-160.9	79.8	0	0	0	112.1	S452 S453 I458 I460	S452-L456 PolarHBondContact O-N 3.3Å; S453-L456 PolarHBondContact O-N 3.37Å; S453-L456 VanDerWaalsContact O-N 3.16Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 3.41Å; L456-I460 HydrophobicContact CD1-CD1 3.95Å; L456-I460 HydrophobicContact CD2-CD1 4.33Å; L456-I460 HydrophobicContact CG-CD1 3.74Å; L456-I460 HydrophobicContact CG-CG1 4.43Å; L456-I460 WeakPolarHBondContact O-CB 3.01Å; L456-I460 WeakPolarHBondContact O-CG1 3.43Å; L456-I460 PolarHBondContact O-N 2.92Å; L456-I460 VanDerWaalsContact O-N 3.12Å
457	Y	73.1	Confident	70.1	Confident	151 Å²	151	98.2 Å²	98.2	59%	0.592	51%	0.509	S	S	*	.	H	α-helix	trans	-69.1	-24.2	-179.5	-91.2	-80.2	0	0	0	114.4	S453 Y455 P461	S453-Y457 WeakPolarHBondContact O-CD2 3.25Å; S453-Y457 PolarHBondContact O-N 2.92Å; Y455-Y457 PolarHBondContact O-N 2.93Å; Y457-P461 WeakPolarHBondContact O-CD 3.48Å; Y457-P461 VanDerWaalsContact O-CG 3.23Å; Y457-P461 WeakPolarHBondContact O-CG 3.22Å
458	I	76.6	Confident	72.1	Confident	108 Å²	108	100.9 Å²	100.9	55%	0.554	52%	0.519	S	S	*	.	H	α-helix	trans	-87.8	-44.1	175.9	-66.3	168.7	0	0	0	110.9	R454 Y455 L456 L462	R454-I458 WeakPolarHBondContact O-CG1 3.31Å; R454-I458 PolarHBondContact O-N 3.28Å; Y455-I458 PolarHBondContact O-N 3.36Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 3.41Å; I458-L462 HydrophobicContact CG2-CD1 4.01Å; I458-L462 WeakPolarHBondContact O-CG 3.26Å
459	V	80.6	Confident	74.3	Confident	56 Å²	56	100.7 Å²	100.7	34%	0.339	52%	0.521	S	S	.	.	H	α-helix	trans	-75.8	-35	-172.4	175.3	0	0	0	0	112.6	Y455 L462 A463	Y455-V459 HydrophobicContact CD1-CG2 4.27Å; Y455-V459 HydrophobicContact CD2-CG2 4Å; Y455-V459 HydrophobicContact CE1-CB 4.45Å; Y455-V459 HydrophobicContact CE1-CG2 4Å; Y455-V459 HydrophobicContact CE2-CG2 3.71Å; Y455-V459 HydrophobicContact CG-CG2 4.28Å; Y455-V459 WeakPolarHBondContact O-CB 3.26Å; Y455-V459 WeakPolarHBondContact O-CG2 3.38Å; Y455-V459 PolarHBondContact O-N 3.09Å; V459-L462 PolarHBondContact O-N 3.11Å; V459-A463 WeakPolarHBondContact O-CB 3.48Å; V459-A463 PolarHBondContact O-N 3.35Å
460	I	83.2	Confident	76.4	Confident	91 Å²	91	98.4 Å²	98.4	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-50	179	-69.8	180	0	0	0	112.2	L456 L462 A463 V464	L456-I460 HydrophobicContact CD1-CD1 3.95Å; L456-I460 HydrophobicContact CD2-CD1 4.33Å; L456-I460 HydrophobicContact CG-CD1 3.74Å; L456-I460 HydrophobicContact CG-CG1 4.43Å; L456-I460 WeakPolarHBondContact O-CB 3.01Å; L456-I460 WeakPolarHBondContact O-CG1 3.43Å; L456-I460 PolarHBondContact O-N 2.92Å; L456-I460 VanDerWaalsContact O-N 3.12Å; I460-L462 VanDerWaalsContact C-N 3.31Å; I460-L462 PolarHBondContact O-N 3.13Å; I460-A463 PolarHBondContact O-N 2.64Å; I460-V464 HydrophobicContact CG2-CG2 4.18Å; I460-V464 WeakPolarHBondContact O-CB 3.37Å; I460-V464 VanDerWaalsContact O-CG2 3.31Å; I460-V464 WeakPolarHBondContact O-CG2 3.41Å; I460-V464 PolarHBondContact O-N 3.33Å
461	P	83.9	Confident	78.5	Confident	61 Å²	61	99 Å²	99	40%	0.396	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-35.6	176.2	-27.1	37.2	0	0	0	114	Y457 S465	Y457-P461 WeakPolarHBondContact O-CD 3.48Å; Y457-P461 VanDerWaalsContact O-CG 3.23Å; Y457-P461 WeakPolarHBondContact O-CG 3.22Å; P461-S465 VanDerWaalsContact O-CB 3.31Å; P461-S465 WeakPolarHBondContact O-CB 3.48Å; P461-S465 PolarHBondContact O-N 3.29Å; P461-S465 PolarHBondContact O-OG 2.99Å
462	L	84	Confident	80.4	Confident	110 Å²	110	93.3 Å²	93.3	58%	0.576	50%	0.498	S	S	*	.	H	α-helix	trans	-65.8	-45.6	173.9	-70	172.7	0	0	0	111.6	I458 V459 I460 V464 S465 F466	I458-L462 HydrophobicContact CG2-CD1 4.01Å; I458-L462 WeakPolarHBondContact O-CG 3.26Å; V459-L462 PolarHBondContact O-N 3.11Å; I460-L462 VanDerWaalsContact C-N 3.31Å; I460-L462 PolarHBondContact O-N 3.13Å; L462-V464 PolarHBondContact O-N 3.19Å; L462-S465 PolarHBondContact O-OG 3.49Å; L462-S465 VanDerWaalsContact O-OG 3.08Å; L462-F466 VanDerWaalsContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CB 3.29Å; L462-F466 PolarHBondContact O-N 3.31Å
463	A	85.7	Confident	82.1	Confident	51 Å²	51	93.3 Å²	93.3	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-40.1	176.2	0	0	0	0	0	112.5	V459 I460 S467	V459-A463 WeakPolarHBondContact O-CB 3.48Å; V459-A463 PolarHBondContact O-N 3.35Å; I460-A463 PolarHBondContact O-N 2.64Å; A463-S467 VanDerWaalsContact O-CB 3.29Å; A463-S467 WeakPolarHBondContact O-CB 3.38Å; A463-S467 PolarHBondContact O-N 3.16Å; A463-S467 PolarHBondContact O-OG 3.38Å
464	V	89	Confident	83.5	Confident	76 Å²	76	97.3 Å²	97.3	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-46.1	178.2	170.7	0	0	0	0	111.3	I460 L462 S467 L468	I460-V464 HydrophobicContact CG2-CG2 4.18Å; I460-V464 WeakPolarHBondContact O-CB 3.37Å; I460-V464 VanDerWaalsContact O-CG2 3.31Å; I460-V464 WeakPolarHBondContact O-CG2 3.41Å; I460-V464 PolarHBondContact O-N 3.33Å; L462-V464 PolarHBondContact O-N 3.19Å; V464-S467 WeakPolarHBondContact O-CB 3.3Å; V464-S467 PolarHBondContact O-N 3.38Å; V464-L468 HydrophobicContact CG1-CD1 4.13Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.47Å
465	S	85.4	Confident	84.8	Confident	57 Å²	57	92.5 Å²	92.5	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-40.8	178.4	55.3	0	0	0	0	112.3	P461 L462 S467 L468 L469	P461-S465 VanDerWaalsContact O-CB 3.31Å; P461-S465 WeakPolarHBondContact O-CB 3.48Å; P461-S465 PolarHBondContact O-N 3.29Å; P461-S465 PolarHBondContact O-OG 2.99Å; L462-S465 PolarHBondContact O-OG 3.49Å; L462-S465 VanDerWaalsContact O-OG 3.08Å; S465-S467 PolarHBondContact O-N 2.99Å; S465-L468 PolarHBondContact O-N 2.96Å; S465-L469 PolarHBondContact O-N 3.17Å
466	F	86.4	Confident	85.7	Confident	142 Å²	142	93.7 Å²	93.7	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-61.1	-42.2	171.2	-175.3	-98.9	0	0	0	112.2	L462 L469 C470	L462-F466 VanDerWaalsContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CB 3.29Å; L462-F466 PolarHBondContact O-N 3.31Å; F466-L469 PolarHBondContact O-N 2.97Å; F466-C470 VanDerWaalsContact CE1-SG 3.58Å; F466-C470 PolarHBondContact O-N 2.88Å; F466-C470 PolarHBondContact O-SG 3.42Å
467	S	87.9	Confident	86.3	Confident	60 Å²	60	93.1 Å²	93.1	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.6	-62.7	0	0	0	0	112.2	A463 V464 S465 C470 I471	A463-S467 VanDerWaalsContact O-CB 3.29Å; A463-S467 WeakPolarHBondContact O-CB 3.38Å; A463-S467 PolarHBondContact O-N 3.16Å; A463-S467 PolarHBondContact O-OG 3.38Å; V464-S467 WeakPolarHBondContact O-CB 3.3Å; V464-S467 PolarHBondContact O-N 3.38Å; S465-S467 PolarHBondContact O-N 2.99Å; S467-C470 PolarHBondContact O-N 3.09Å; S467-I471 WeakPolarHBondContact O-CD1 3.41Å; S467-I471 VanDerWaalsContact O-CG1 3.26Å; S467-I471 WeakPolarHBondContact O-CG1 3.44Å; S467-I471 PolarHBondContact O-N 3.47Å
468	L	91	Very high	86.9	Confident	111 Å²	111	89.7 Å²	89.7	58%	0.581	49%	0.488	S	S	*	.	H	α-helix	trans	-64.9	-39.7	176.6	-71	171.7	0	0	0	112.2	V464 S465 I471 G472	V464-L468 HydrophobicContact CG1-CD1 4.13Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.47Å; S465-L468 PolarHBondContact O-N 2.96Å; L468-I471 PolarHBondContact O-N 3.26Å; L468-G472 PolarHBondContact O-N 2.93Å
469	L	89.9	Confident	87.3	Confident	120 Å²	120	90.4 Å²	90.4	63%	0.628	49%	0.49	S	S	*	.	H	α-helix	trans	-60.5	-47	171.4	-81.7	165.8	0	0	0	111.7	S465 F466 I471 G472 C473	S465-L469 PolarHBondContact O-N 3.17Å; F466-L469 PolarHBondContact O-N 2.97Å; L469-I471 PolarHBondContact O-N 3.44Å; L469-G472 PolarHBondContact O-N 3.25Å; L469-C473 PolarHBondContact O-N 3.49Å; L469-C473 PolarHBondContact O-SG 3.14Å; L469-C473 VanDerWaalsContact O-SG 3.4Å
470	C	89.9	Confident	87.3	Confident	60 Å²	60	91 Å²	91	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-43.2	177.6	-69.4	0	0	0	0	112.3	F466 S467 C473 F474	F466-C470 VanDerWaalsContact CE1-SG 3.58Å; F466-C470 PolarHBondContact O-N 2.88Å; F466-C470 PolarHBondContact O-SG 3.42Å; S467-C470 PolarHBondContact O-N 3.09Å; C470-C473 PolarHBondContact O-N 3.3Å; C470-F474 WeakPolarHBondContact O-CB 3.45Å; C470-F474 PolarHBondContact O-N 3.49Å
471	I	92.5	Very high	87.4	Confident	94 Å²	94	94.7 Å²	94.7	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44.4	175.9	-69	162.8	0	0	0	110.8	S467 L468 L469 F474 I475	S467-I471 WeakPolarHBondContact O-CD1 3.41Å; S467-I471 VanDerWaalsContact O-CG1 3.26Å; S467-I471 WeakPolarHBondContact O-CG1 3.44Å; S467-I471 PolarHBondContact O-N 3.47Å; L468-I471 PolarHBondContact O-N 3.26Å; L469-I471 PolarHBondContact O-N 3.44Å; I471-F474 PolarHBondContact O-N 3.45Å; I471-I475 HydrophobicContact CG2-CD1 3.77Å; I471-I475 HydrophobicContact CG2-CG1 4.47Å; I471-I475 WeakPolarHBondContact O-CG1 3.4Å; I471-I475 PolarHBondContact O-N 3.25Å
472	G	90	Very high	87.3	Confident	39 Å²	39	101 Å²	101	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-47.7	176.2	0	0	0	0	0	112.8	L468 L469 F474 I475 W476	L468-G472 PolarHBondContact O-N 2.93Å; L469-G472 PolarHBondContact O-N 3.25Å; G472-F474 PolarHBondContact O-N 3.1Å; G472-I475 PolarHBondContact O-N 2.88Å; G472-W476 PolarHBondContact O-N 3.47Å
473	C	89.8	Confident	87.1	Confident	73 Å²	73	102 Å²	102	49%	0.493	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-42.2	174.4	-72.3	0	0	0	0	112.2	L469 C470 W476 I477	L469-C473 PolarHBondContact O-N 3.49Å; L469-C473 PolarHBondContact O-SG 3.14Å; L469-C473 VanDerWaalsContact O-SG 3.4Å; C470-C473 PolarHBondContact O-N 3.3Å; C473-W476 PolarHBondContact O-N 3.29Å; C473-I477 WeakPolarHBondContact O-CD1 3.44Å; C473-I477 VanDerWaalsContact O-CG1 3.26Å; C473-I477 WeakPolarHBondContact O-CG1 3.27Å; C473-I477 PolarHBondContact O-N 3.14Å
474	F	89.1	Confident	86.8	Confident	132 Å²	132	106.5 Å²	106.5	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-65	-42.8	178.7	-168.2	-104.5	0	0	0	112.2	C470 I471 G472 I477 L478	C470-F474 WeakPolarHBondContact O-CB 3.45Å; C470-F474 PolarHBondContact O-N 3.49Å; I471-F474 PolarHBondContact O-N 3.45Å; G472-F474 PolarHBondContact O-N 3.1Å; F474-I477 PolarHBondContact O-N 3.48Å; F474-L478 HydrophobicContact CD1-CD1 3.86Å; F474-L478 HydrophobicContact CD1-CG 4.36Å; F474-L478 HydrophobicContact CE1-CD1 3.59Å; F474-L478 HydrophobicContact CE1-CG 4.18Å; F474-L478 HydrophobicContact CZ-CD1 4.35Å; F474-L478 WeakPolarHBondContact O-CG 3.21Å; F474-L478 PolarHBondContact O-N 3.25Å
475	I	90.6	Very high	86.1	Confident	89 Å²	89	109.1 Å²	109.1	46%	0.456	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-43.4	175.5	-68.1	168.1	0	0	0	111	I471 G472 I477 L478 M479	I471-I475 HydrophobicContact CG2-CD1 3.77Å; I471-I475 HydrophobicContact CG2-CG1 4.47Å; I471-I475 WeakPolarHBondContact O-CG1 3.4Å; I471-I475 PolarHBondContact O-N 3.25Å; G472-I475 PolarHBondContact O-N 2.88Å; I475-I477 PolarHBondContact O-N 3.47Å; I475-L478 PolarHBondContact O-N 3.38Å; I475-M479 HydrophobicContact CG2-SD 4.33Å; I475-M479 WeakPolarHBondContact O-CG 3.33Å; I475-M479 PolarHBondContact O-N 3.3Å
476	W	86.8	Confident	85.4	Confident	190 Å²	190	113.3 Å²	113.3	72%	0.72	56%	0.558	S	S	*	*	H	α-helix	trans	-57.1	-50.7	173.7	-170.7	-33.8	0	0	0	110.7	G472 C473 L478 M479 N480	G472-W476 PolarHBondContact O-N 3.47Å; C473-W476 PolarHBondContact O-N 3.29Å; W476-L478 VanDerWaalsContact C-N 3.3Å; W476-L478 PolarHBondContact O-N 3.25Å; W476-M479 PolarHBondContact O-N 2.95Å; W476-M479 VanDerWaalsContact O-N 3.16Å; W476-N480 WeakPolarHBondContact O-CB 3.5Å; W476-N480 PolarHBondContact O-N 2.97Å
477	I	87.6	Confident	84	Confident	85 Å²	85	117.4 Å²	117.4	44%	0.436	58%	0.579	S	S	.	*	H	α-helix	trans	-58.6	-41.5	180	-69.8	163.9	0	0	0	111.2	C473 F474 I475 R481	C473-I477 WeakPolarHBondContact O-CD1 3.44Å; C473-I477 VanDerWaalsContact O-CG1 3.26Å; C473-I477 WeakPolarHBondContact O-CG1 3.27Å; C473-I477 PolarHBondContact O-N 3.14Å; F474-I477 PolarHBondContact O-N 3.48Å; I475-I477 PolarHBondContact O-N 3.47Å; I477-R481 WeakPolarHBondContact O-CB 3.49Å; I477-R481 VanDerWaalsContact O-CG 3.3Å; I477-R481 WeakPolarHBondContact O-CG 3.49Å; I477-R481 PolarHBondContact O-N 2.93Å
478	L	84.7	Confident	83.8	Confident	79 Å²	79	120.3 Å²	120.3	41%	0.414	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-42.4	175.5	-72.1	179.4	0	0	0	112.9	F474 I475 W476 R481 R482	F474-L478 HydrophobicContact CD1-CD1 3.86Å; F474-L478 HydrophobicContact CD1-CG 4.36Å; F474-L478 HydrophobicContact CE1-CD1 3.59Å; F474-L478 HydrophobicContact CE1-CG 4.18Å; F474-L478 HydrophobicContact CZ-CD1 4.35Å; F474-L478 WeakPolarHBondContact O-CG 3.21Å; F474-L478 PolarHBondContact O-N 3.25Å; I475-L478 PolarHBondContact O-N 3.38Å; W476-L478 VanDerWaalsContact C-N 3.3Å; W476-L478 PolarHBondContact O-N 3.25Å; L478-R481 PolarHBondContact O-N 3.33Å; L478-R482 WeakPolarHBondContact O-CG 3.39Å; L478-R482 PolarHBondContact O-N 3.09Å
479	M	84.7	Confident	83.4	Confident	122 Å²	122	120.7 Å²	120.7	60%	0.601	59%	0.588	S	S	*	*	H	α-helix	trans	-66	-43.5	177.1	-72.2	-172.3	69.4	0	0	112.1	I475 W476 R481 R482 M483	I475-M479 HydrophobicContact CG2-SD 4.33Å; I475-M479 WeakPolarHBondContact O-CG 3.33Å; I475-M479 PolarHBondContact O-N 3.3Å; W476-M479 PolarHBondContact O-N 2.95Å; W476-M479 VanDerWaalsContact O-N 3.16Å; M479-R481 VanDerWaalsContact C-N 3.34Å; M479-R481 PolarHBondContact O-N 3.02Å; M479-R482 PolarHBondContact O-N 3.38Å; M479-R482 VanDerWaalsContact O-N 3.14Å; M479-M483 PolarHBondContact O-N 3.29Å
480	N	81.9	Confident	83.1	Confident	69 Å²	69	120.8 Å²	120.8	37%	0.369	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-37.5	178.2	-164.1	-0.3	0	0	0	111.4	W476 M483 K484	W476-N480 WeakPolarHBondContact O-CB 3.5Å; W476-N480 PolarHBondContact O-N 2.97Å; N480-M483 PolarHBondContact O-N 3.03Å; N480-K484 WeakPolarHBondContact O-CG 3.42Å; N480-K484 PolarHBondContact O-N 3.11Å; N480-K484 VanDerWaalsContact O-N 3.14Å
481	R	84.6	Confident	82.7	Confident	169 Å²	169	124.4 Å²	124.4	64%	0.638	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-39.3	169.9	-76.1	178.2	178	-171.8	0.4	112.8	I477 L478 M479 K484 N485	I477-R481 WeakPolarHBondContact O-CB 3.49Å; I477-R481 VanDerWaalsContact O-CG 3.3Å; I477-R481 WeakPolarHBondContact O-CG 3.49Å; I477-R481 PolarHBondContact O-N 2.93Å; L478-R481 PolarHBondContact O-N 3.33Å; M479-R481 VanDerWaalsContact C-N 3.34Å; M479-R481 PolarHBondContact O-N 3.02Å; R481-K484 PolarHBondContact O-N 3.46Å; R481-N485 PolarHBondContact O-N 3.29Å; R481-N485 PolarHBondContact O-OD1 3.29Å
482	R	82.2	Confident	82.1	Confident	194 Å²	194	126.3 Å²	126.3	73%	0.732	60%	0.603	S	S	*	*	H	α-helix	trans	-66.2	-36.7	175.4	-78	-173.1	179.4	-164.4	1.6	112.8	L478 M479 N485	L478-R482 WeakPolarHBondContact O-CG 3.39Å; L478-R482 PolarHBondContact O-N 3.09Å; M479-R482 PolarHBondContact O-N 3.38Å; M479-R482 VanDerWaalsContact O-N 3.14Å; R482-N485 PolarHBondContact O-N 3.37Å
483	M	78.9	Confident	81.5	Confident	129 Å²	129	132.1 Å²	132.1	64%	0.635	62%	0.617	S	S	*	*	H	α-helix	trans	-63	-49.9	174.1	-74.5	173.4	56.5	0	0	111.3	M479 N480 N485 N486	M479-M483 PolarHBondContact O-N 3.29Å; N480-M483 PolarHBondContact O-N 3.03Å; M483-N485 PolarHBondContact O-N 3.1Å; M483-N485 VanDerWaalsContact O-N 3.09Å; M483-N486 PolarHBondContact O-N 3.48Å
484	K	79.8	Confident	80.9	Confident	147 Å²	147	136.3 Å²	136.3	64%	0.639	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-5.7	179.9	-69.8	-170.5	176.3	-165.6	0	115.9	N480 R481	N480-K484 WeakPolarHBondContact O-CG 3.42Å; N480-K484 PolarHBondContact O-N 3.11Å; N480-K484 VanDerWaalsContact O-N 3.14Å; R481-K484 PolarHBondContact O-N 3.46Å
485	N	74.5	Confident	80.3	Confident	130 Å²	130	136.6 Å²	136.6	70%	0.695	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	0.6	174.2	-72.4	19	0	0	0	112.5	R481 R482 M483	R481-N485 PolarHBondContact O-N 3.29Å; R481-N485 PolarHBondContact O-OD1 3.29Å; R482-N485 PolarHBondContact O-N 3.37Å; M483-N485 PolarHBondContact O-N 3.1Å; M483-N485 VanDerWaalsContact O-N 3.09Å
486	N	69.6	Low	79.4	Confident	145 Å²	145	140.6 Å²	140.6	78%	0.775	64%	0.643	S	S	*	*			trans	-118.6	7.1	-179.4	-72.4	0.6	0	0	0	112.6	M483	M483-N486 PolarHBondContact O-N 3.48Å
487	E	58.2	Low	78.8	Confident	228 Å²	228	136.1 Å²	136.1	100%	1.065	64%	0.636	S	S	*	*			trans	-106.5	0	163.7	-68.4	-175.7	124	0	0	109.2

Retrieved 487 of 487 residues in 93.9 ms (Link to these results)

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