A0AA82N7S0_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7S0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 303 aa.

Structure Viewer

Loading PAE data...

(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	42.4	Very low	49.7	Very low	218 Å²	218	135.5 Å²	135.5	100%	1.074	65%	0.653	S	S	*	*				0	110.6	0	-82.3	170.3	169.5	0	0	108.2	Y3	M1-Y3 PolarHBondContact O-N 3.37Å
2	R	45.6	Very low	49.8	Very low	241 Å²	241	139.3 Å²	139.3	91%	0.909	66%	0.655	S	S	*	*			trans	-79.2	104.5	167.7	-71.8	-177.1	178	178.2	-0.9	106	N4	R2-N4 PolarHBondContact O-N 3.17Å
3	Y	48.2	Very low	50.3	Low	183 Å²	183	134.5 Å²	134.5	72%	0.718	64%	0.635	S	S	*	*			trans	-66.2	102.5	172.1	-92.9	-90.2	0	0	0	107.5	M1 F5	M1-Y3 PolarHBondContact O-N 3.37Å; Y3-F5 VanDerWaalsContact C-N 3.31Å; Y3-F5 PolarHBondContact O-N 3.01Å
4	N	47.2	Very low	50.4	Low	154 Å²	154	135.4 Å²	135.4	82%	0.824	63%	0.631	S	S	*	*			trans	-71	94	166.9	-74	-26.2	0	0	0	106.7	R2 S6	R2-N4 PolarHBondContact O-N 3.17Å; N4-S6 PolarHBondContact O-N 3.32Å
5	F	44.7	Very low	50.1	Low	137 Å²	137	133.7 Å²	133.7	60%	0.601	63%	0.627	S	S	*	*			trans	-62.3	118.1	167.7	-81.4	-87.6	0	0	0	108.2	Y3 L9	Y3-F5 VanDerWaalsContact C-N 3.31Å; Y3-F5 PolarHBondContact O-N 3.01Å; F5-L9 HydrophobicContact CD1-CD1 4.08Å
6	S	53.8	Low	50.3	Low	62 Å²	62	131.7 Å²	131.7	43%	0.434	62%	0.621	S	S	.	*			trans	-55.8	137	176.4	177.7	0	0	0	0	110	N4 S8 L9	N4-S6 PolarHBondContact O-N 3.32Å; S6-S8 PolarHBondContact O-N 2.97Å; S6-S8 PolarHBondContact OG-OG 2.96Å; S6-L9 PolarHBondContact O-N 3.03Å
7	P	55.5	Low	49.9	Very low	99 Å²	99	132.1 Å²	132.1	64%	0.643	62%	0.62	S	S	*	*	H	α-helix	trans	-52.5	-24.4	179.3	-25.7	32.7	0	0	0	114.3	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.26Å; P7-L9 PolarHBondContact O-N 3.3Å; P7-W10 PolarHBondContact O-N 3.23Å; P7-I11 PolarHBondContact O-N 3.33Å
8	S	54.4	Low	49.6	Very low	68 Å²	68	129.6 Å²	129.6	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-65.3	-26.3	177.7	69.2	0	0	0	0	113.7	S6 R12	S6-S8 PolarHBondContact O-N 2.97Å; S6-S8 PolarHBondContact OG-OG 2.96Å; S8-R12 PolarHBondContact O-N 3.49Å
9	L	51.1	Low	49	Very low	81 Å²	81	132.6 Å²	132.6	42%	0.424	62%	0.62	S	S	.	*	H	α-helix	trans	-73.4	-36.2	175.4	-88.6	146.3	0	0	0	111.4	F5 S6 P7 R12 I13	F5-L9 HydrophobicContact CD1-CD1 4.08Å; S6-L9 PolarHBondContact O-N 3.03Å; P7-L9 VanDerWaalsContact C-N 3.26Å; P7-L9 PolarHBondContact O-N 3.3Å; L9-R12 PolarHBondContact O-N 2.87Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 2.96Å
10	W	48.5	Very low	48.5	Very low	142 Å²	142	132.2 Å²	132.2	54%	0.538	62%	0.617	S	S	.	*	H	α-helix	trans	-63.1	-43.1	174.8	-73.2	90.2	0	0	0	111.3	P7 R12 I13 Y14	P7-W10 PolarHBondContact O-N 3.23Å; W10-R12 VanDerWaalsContact C-N 3.31Å; W10-R12 PolarHBondContact O-N 3.36Å; W10-I13 PolarHBondContact O-N 3.08Å; W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 AromaticContact CE3-CE2 3.87Å; W10-Y14 HydrophobicContact CE3-CE2 3.87Å; W10-Y14 WeakPolarHBondContact O-CD2 3.38Å; W10-Y14 PolarHBondContact O-N 3.21Å
11	I	55.6	Low	48.3	Very low	106 Å²	106	133.6 Å²	133.6	54%	0.544	62%	0.618	S	S	.	*	H	α-helix	trans	-60.6	-40.9	178.3	-62.8	167.1	0	0	0	111.2	P7 Y14 L15	P7-I11 PolarHBondContact O-N 3.33Å; I11-Y14 PolarHBondContact O-N 3.04Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.34Å
12	R	51.1	Low	47.7	Very low	181 Å²	181	130.2 Å²	130.2	68%	0.683	60%	0.598	S	S	*	*	H	α-helix	trans	-66.9	-41.2	176.6	-72.4	-171.6	179.1	-139.8	0.2	112.6	S8 L9 W10 L15 I16	S8-R12 PolarHBondContact O-N 3.49Å; L9-R12 PolarHBondContact O-N 2.87Å; W10-R12 VanDerWaalsContact C-N 3.31Å; W10-R12 PolarHBondContact O-N 3.36Å; R12-L15 PolarHBondContact O-N 3.34Å; R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 3.39Å; R12-I16 VanDerWaalsContact O-N 3.08Å
13	I	56.1	Low	47.4	Very low	77 Å²	77	121.6 Å²	121.6	40%	0.395	57%	0.574	S	S	.	*	H	α-helix	trans	-63.9	-45.5	176.9	-68.7	167.6	0	0	0	110.2	L9 W10 L15 I16 F17	L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 2.96Å; W10-I13 PolarHBondContact O-N 3.08Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 3.47Å; I13-I16 PolarHBondContact O-N 2.94Å; I13-F17 HydrophobicContact CG2-CD2 3.51Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.35Å; I13-F17 PolarHBondContact O-N 3.35Å
14	Y	51.8	Low	47.1	Very low	146 Å²	146	118.5 Å²	118.5	57%	0.573	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-40.1	175.3	-83.4	-71.7	0	0	0	112.5	W10 I11 I16 F17 V18	W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 AromaticContact CE3-CE2 3.87Å; W10-Y14 HydrophobicContact CE3-CE2 3.87Å; W10-Y14 WeakPolarHBondContact O-CD2 3.38Å; W10-Y14 PolarHBondContact O-N 3.21Å; I11-Y14 PolarHBondContact O-N 3.04Å; Y14-I16 PolarHBondContact O-N 2.85Å; Y14-F17 PolarHBondContact O-N 2.96Å; Y14-V18 WeakPolarHBondContact O-CB 3.33Å; Y14-V18 WeakPolarHBondContact O-CG2 3.19Å; Y14-V18 PolarHBondContact O-N 3.44Å
15	L	45.8	Very low	46.6	Very low	110 Å²	110	115.4 Å²	115.4	58%	0.576	55%	0.548	S	S	*	.	H	α-helix	trans	-62.1	-40.9	175.9	-80.8	162.7	0	0	0	112.2	I11 R12 I13 W19	I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.34Å; R12-L15 PolarHBondContact O-N 3.34Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 3.47Å; L15-W19 WeakPolarHBondContact O-CB 3.19Å; L15-W19 PolarHBondContact O-N 3.25Å
16	I	53.5	Low	46.5	Very low	102 Å²	102	112 Å²	112	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-66.5	-44.4	176	-65	164.4	0	0	0	111	R12 I13 Y14 W19 H20	R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 3.39Å; R12-I16 VanDerWaalsContact O-N 3.08Å; I13-I16 PolarHBondContact O-N 2.94Å; Y14-I16 PolarHBondContact O-N 2.85Å; I16-W19 WeakPolarHBondContact O-CB 3.46Å; I16-W19 PolarHBondContact O-N 3.43Å; I16-H20 PolarHBondContact O-N 3.39Å
17	F	43.6	Very low	46.4	Very low	139 Å²	139	111.6 Å²	111.6	61%	0.61	53%	0.533	S	S	*	.	H	α-helix	trans	-65.3	-40.1	178	-83.2	-69.8	0	0	0	112.5	I13 Y14 W19 H20 Y21	I13-F17 HydrophobicContact CG2-CD2 3.51Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.35Å; I13-F17 PolarHBondContact O-N 3.35Å; Y14-F17 PolarHBondContact O-N 2.96Å; F17-W19 VanDerWaalsContact C-N 3.32Å; F17-H20 PolarHBondContact O-N 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.39Å; F17-Y21 PolarHBondContact O-N 3.01Å
18	V	43.8	Very low	46.8	Very low	87 Å²	87	108.9 Å²	108.9	53%	0.527	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-34.1	174.9	173.3	0	0	0	0	111.1	Y14 Y21 K22	Y14-V18 WeakPolarHBondContact O-CB 3.33Å; Y14-V18 WeakPolarHBondContact O-CG2 3.19Å; Y14-V18 PolarHBondContact O-N 3.44Å; V18-Y21 PolarHBondContact O-N 2.94Å; V18-K22 PolarHBondContact O-N 3.5Å
19	W	37.9	Very low	47.5	Very low	187 Å²	187	107.1 Å²	107.1	71%	0.708	50%	0.498	S	S	*	.	H	α-helix	trans	-64.9	-48.9	174.9	-161.7	-44.7	0	0	0	111.7	L15 I16 F17 Y21 K22 C23	L15-W19 WeakPolarHBondContact O-CB 3.19Å; L15-W19 PolarHBondContact O-N 3.25Å; I16-W19 WeakPolarHBondContact O-CB 3.46Å; I16-W19 PolarHBondContact O-N 3.43Å; F17-W19 VanDerWaalsContact C-N 3.32Å; W19-Y21 VanDerWaalsContact C-N 3.29Å; W19-Y21 PolarHBondContact O-N 3.08Å; W19-K22 WeakPolarHBondContact O-CA 3.47Å; W19-K22 WeakPolarHBondContact O-CB 3.24Å; W19-K22 PolarHBondContact O-N 3.39Å; W19-K22 VanDerWaalsContact O-N 3.08Å; W19-C23 PolarHBondContact O-N 2.98Å
20	H	39.7	Very low	48.6	Very low	123 Å²	123	105.1 Å²	105.1	57%	0.569	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-34	174.9	-81	-36.9	0	0	0	112.7	I16 F17 K22 C23 F24	I16-H20 PolarHBondContact O-N 3.39Å; F17-H20 PolarHBondContact O-N 3.25Å; H20-K22 VanDerWaalsContact C-N 3.27Å; H20-K22 PolarHBondContact O-N 3.25Å; H20-C23 PolarHBondContact O-N 3.35Å; H20-F24 PolarHBondContact O-N 2.98Å
21	Y	44.2	Very low	49.6	Very low	162 Å²	162	104.5 Å²	104.5	64%	0.635	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-32	173	-142.3	-90.6	0	0	0	112.4	F17 V18 W19	F17-Y21 WeakPolarHBondContact O-CB 3.39Å; F17-Y21 PolarHBondContact O-N 3.01Å; V18-Y21 PolarHBondContact O-N 2.94Å; W19-Y21 VanDerWaalsContact C-N 3.29Å; W19-Y21 PolarHBondContact O-N 3.08Å
22	K	30.3	Very low	50	Low	148 Å²	148	101.9 Å²	101.9	64%	0.643	48%	0.481	S	S	*	.	H	α-helix	trans	-73.5	-44.9	172	-106.2	-175.7	175.1	-174	0	111.7	V18 W19 H20 F24 N25 C26	V18-K22 PolarHBondContact O-N 3.5Å; W19-K22 WeakPolarHBondContact O-CA 3.47Å; W19-K22 WeakPolarHBondContact O-CB 3.24Å; W19-K22 PolarHBondContact O-N 3.39Å; W19-K22 VanDerWaalsContact O-N 3.08Å; H20-K22 VanDerWaalsContact C-N 3.27Å; H20-K22 PolarHBondContact O-N 3.25Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 2.92Å; K22-N25 CarbonylContact O-C 3.59Å; K22-N25 WeakPolarHBondContact O-CA 3.42Å; K22-N25 PolarHBondContact O-N 3.12Å; K22-C26 PolarHBondContact O-N 3.14Å; K22-C26 PolarHBondContact O-SG 3.12Å
23	C	38.5	Very low	50.3	Low	60 Å²	60	97.6 Å²	97.6	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-57.9	-40.6	-179.7	-82.9	0	0	0	0	113.3	W19 H20 N25 C26	W19-C23 PolarHBondContact O-N 2.98Å; H20-C23 PolarHBondContact O-N 3.35Å; C23-N25 PolarHBondContact O-N 3.07Å; C23-C26 PolarHBondContact O-N 3.07Å
24	F	41.5	Very low	50.2	Low	117 Å²	117	99.6 Å²	99.6	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-26.3	175.2	-94.9	-83.9	0	0	0	113.4	H20 K22	H20-F24 PolarHBondContact O-N 2.98Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 2.92Å
25	N	37.2	Very low	50.2	Low	90 Å²	90	101 Å²	101	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-96.8	-4.9	176.5	-92.5	-49.4	0	0	0	114.3	K22 C23 N27	K22-N25 CarbonylContact O-C 3.59Å; K22-N25 WeakPolarHBondContact O-CA 3.42Å; K22-N25 PolarHBondContact O-N 3.12Å; C23-N25 PolarHBondContact O-N 3.07Å; N25-N27 PolarHBondContact O-N 3.46Å
26	C	42.9	Very low	50.7	Low	65 Å²	65	100.3 Å²	100.3	44%	0.439	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.9	171.8	-72.8	0	0	0	0	111.5	K22 C23 D28 T32	K22-C26 PolarHBondContact O-N 3.14Å; K22-C26 PolarHBondContact O-SG 3.12Å; C23-C26 PolarHBondContact O-N 3.07Å; C26-D28 PolarHBondContact O-N 3.25Å; C26-T32 WeakPolarHBondContact O-CG2 3.22Å
27	N	51.9	Low	51.1	Low	54 Å²	54	99.9 Å²	99.9	29%	0.289	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.5	177.7	-76.2	-7.7	0	0	0	114.4	N25 I29 Y38 Y54	N25-N27 PolarHBondContact O-N 3.46Å; N27-I29 PolarHBondContact O-N 2.78Å; N27-Y38 VanDerWaalsContact CG-CE2 3.49Å; N27-Y38 WeakPolarHBondContact ND2-CE2 2.97Å; N27-Y38 VanDerWaalsContact ND2-CZ 3.26Å; N27-Y38 PolarHBondContact ND2-OH 3.14Å; N27-Y38 WeakPolarHBondContact OD1-CE2 3.14Å; N27-Y54 WeakPolarHBondContact O-CD2 3.49Å; N27-Y54 WeakPolarHBondContact O-CE2 3.43Å
28	D	64.3	Low	52.4	Low	41 Å²	41	97.5 Å²	97.5	22%	0.219	50%	0.495	C	S	.	.			trans	-63.3	107.2	173.5	-170.7	-1.6	0	0	0	108.9	C26 C30 K31 T32	C26-D28 PolarHBondContact O-N 3.25Å; D28-C30 PolarHBondContact O-N 3.31Å; D28-C30 WeakPolarHBondContact OD1-CB 3.2Å; D28-C30 PolarHBondContact OD1-N 2.93Å; D28-C30 VanDerWaalsContact OD1-N 3.11Å; D28-C30 PolarHBondContact OD1-SG 3.25Å; D28-K31 HydrophobicContact CB-CB 4.1Å; D28-K31 HydrophobicContact CB-CD 3.84Å; D28-K31 HydrophobicContact CB-CG 3.83Å; D28-K31 WeakPolarHBondContact O-CA 3.36Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-K31 VanDerWaalsContact OD2-CE 3.24Å; D28-K31 WeakPolarHBondContact OD2-CE 3.45Å; D28-K31 IonicContact OD2-NZ 3.54Å; D28-T32 PolarHBondContact O-N 3.24Å; D28-T32 VanDerWaalsContact O-N 3.17Å
29	I	67.6	Low	54.4	Low	31 Å²	31	97 Å²	97	16%	0.159	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-19.7	174.8	-163.6	170.5	0	0	0	112.3	N27 Y54 I194 R202 P204	N27-I29 PolarHBondContact O-N 2.78Å; I29-Y54 HydrophobicContact CB-CE1 4.43Å; I29-Y54 HydrophobicContact CB-CE2 4.5Å; I29-Y54 HydrophobicContact CG2-CD1 4.36Å; I29-Y54 HydrophobicContact CG2-CE1 3.88Å; I29-I194 HydrophobicContact CD1-CD1 4.26Å; I29-I194 HydrophobicContact CG2-CB 4.33Å; I29-I194 HydrophobicContact CG2-CD1 3.73Å; I29-I194 HydrophobicContact CG2-CG2 3.92Å; I29-R202 HydrophobicContact CD1-CB 4.1Å; I29-R202 HydrophobicContact CG1-CB 4.11Å; I29-R202 HydrophobicContact CG1-CG 4.21Å; I29-R202 HydrophobicContact CG2-CB 4.26Å; I29-R202 HydrophobicContact CG2-CG 4.37Å; I29-R202 PolarHBondContact O-NE 3.23Å; I29-P204 HydrophobicContact CD1-CB 3.75Å; I29-P204 HydrophobicContact CD1-CG 4.28Å
30	C	73.9	Confident	56.6	Low	40 Å²	40	90.2 Å²	90.2	27%	0.27	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.4	173.6	-56.6	0	0	0	0	114	D28 C196	D28-C30 PolarHBondContact O-N 3.31Å; D28-C30 WeakPolarHBondContact OD1-CB 3.2Å; D28-C30 PolarHBondContact OD1-N 2.93Å; D28-C30 VanDerWaalsContact OD1-N 3.11Å; D28-C30 PolarHBondContact OD1-SG 3.25Å; C30-C196 WeakPolarHBondContact CA-SG 3.43Å; C30-C196 HydrophobicContact CB-CB 3.52Å; C30-C196 WeakPolarHBondContact CB-SG 3.19Å; C30-C196 WeakPolarHBondContact SG-CA 3.42Å; C30-C196 WeakPolarHBondContact SG-CB 3.31Å; C30-C196 CovalentContact SG-SG 2.02Å; C30-C196 PolarHBondContact SG-SG 3.45Å
31	K	71	Confident	58.9	Low	129 Å²	129	87 Å²	87	56%	0.561	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-21.2	179.5	-63.6	179.5	-165.6	156	0	113.8	D28	D28-K31 HydrophobicContact CB-CB 4.1Å; D28-K31 HydrophobicContact CB-CD 3.84Å; D28-K31 HydrophobicContact CB-CG 3.83Å; D28-K31 WeakPolarHBondContact O-CA 3.36Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-K31 VanDerWaalsContact OD2-CE 3.24Å; D28-K31 WeakPolarHBondContact OD2-CE 3.45Å; D28-K31 IonicContact OD2-NZ 3.54Å
32	T	63.6	Low	60.9	Low	51 Å²	51	79.5 Å²	79.5	31%	0.313	42%	0.424	S	S	.	.			trans	-79	132.5	175.8	54.5	0	0	0	0	110.6	C26 D28 D34 R202	C26-T32 WeakPolarHBondContact O-CG2 3.22Å; D28-T32 PolarHBondContact O-N 3.24Å; D28-T32 VanDerWaalsContact O-N 3.17Å; T32-D34 VanDerWaalsContact C-N 3.32Å; T32-R202 PolarHBondContact O-NH2 3.42Å; T32-R202 VanDerWaalsContact O-NH2 3.11Å
33	S	56.7	Low	63.7	Low	91 Å²	91	74.3 Å²	74.3	64%	0.636	40%	0.402	S	S	*	.	S	Bend	trans	-72.4	-31.4	167.6	51.9	0	0	0	0	111.4
34	D	54.9	Low	66.3	Low	118 Å²	118	75 Å²	75	63%	0.631	40%	0.4	S	S	*	.			trans	-80.4	123.6	-172.6	-64.7	-12.6	0	0	0	110.6	T32 S36	T32-D34 VanDerWaalsContact C-N 3.32Å; D34-S36 PolarHBondContact O-N 3.33Å
35	F	51.9	Low	68.8	Low	176 Å²	176	72.9 Å²	72.9	77%	0.772	39%	0.394	S	S	*	.			trans	-72.7	6.1	171	-73.1	-86.8	0	0	0	112.8
36	S	54.9	Low	71.5	Confident	96 Å²	96	75.6 Å²	75.6	67%	0.671	41%	0.409	S	S	*	.			trans	-62.8	128.8	-176.5	-155.7	0	0	0	0	109.1	D34 Y38	D34-S36 PolarHBondContact O-N 3.33Å; S36-Y38 PolarHBondContact O-N 3.47Å
37	P	62.3	Low	74.1	Confident	92 Å²	92	75.4 Å²	75.4	60%	0.597	41%	0.405	S	S	*	.			trans	-59.4	117.8	179.5	22.7	-31.4	0	0	0	108.2	E39	P37-E39 PolarHBondContact O-N 2.9Å; P37-E39 VanDerWaalsContact O-N 3.12Å
38	Y	71.2	Confident	76.2	Confident	89 Å²	89	74.2 Å²	74.2	35%	0.349	40%	0.397	S	S	.	.			trans	-66	113.3	169.8	177.2	-91.2	0	0	0	107.6	N27 S36 I40 H53	N27-Y38 VanDerWaalsContact CG-CE2 3.49Å; N27-Y38 WeakPolarHBondContact ND2-CE2 2.97Å; N27-Y38 VanDerWaalsContact ND2-CZ 3.26Å; N27-Y38 PolarHBondContact ND2-OH 3.14Å; N27-Y38 WeakPolarHBondContact OD1-CE2 3.14Å; S36-Y38 PolarHBondContact O-N 3.47Å; Y38-I40 HydrophobicContact CE1-CD1 4.18Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; Y38-I40 HydrophobicContact CE2-CD1 4.36Å; Y38-I40 HydrophobicContact CE2-CG1 4.39Å; Y38-I40 WeakPolarHBondContact OH-CD1 3.43Å; Y38-H53 WeakPolarHBondContact O-CA 3.28Å; Y38-H53 PolarHBondContact O-ND1 3.1Å
39	E	85.2	Confident	77.7	Confident	78 Å²	78	73 Å²	73	36%	0.364	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.5	175.4	177.1	172.3	-140.9	0	0	109.5	P37 V41 R49 F52 H53	P37-E39 PolarHBondContact O-N 2.9Å; P37-E39 VanDerWaalsContact O-N 3.12Å; E39-V41 HydrophobicContact CG-CG2 4.08Å; E39-R49 IonicContact OE1-CZ 2.7Å; E39-R49 IonicContact OE1-NE 3.64Å; E39-R49 IonicContact OE1-NH2 3.28Å; E39-R49 PolarHBondContact OE1-NH2 3.11Å; E39-R49 IonicContact OE2-NH2 3.36Å; E39-R49 PolarHBondContact OE2-NH2 2.72Å; E39-R49 VanDerWaalsContact OE2-NH2 3.11Å; E39-F52 CarbonylContact C-O 3.34Å; E39-F52 WeakPolarHBondContact CA-O 3.15Å; E39-H53 IonicContact OE1-CE1 3.89Å; E39-H53 IonicContact OE1-NE2 2.65Å
40	I	84.3	Confident	78.9	Confident	44 Å²	44	71.6 Å²	71.6	23%	0.226	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.6	164.5	-63.6	-173.8	0	0	0	107.6	Y38 I42 S51 F52 E253	Y38-I40 HydrophobicContact CE1-CD1 4.18Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; Y38-I40 HydrophobicContact CE2-CD1 4.36Å; Y38-I40 HydrophobicContact CE2-CG1 4.39Å; Y38-I40 WeakPolarHBondContact OH-CD1 3.43Å; I40-I42 HydrophobicContact CG2-CD1 3.81Å; I40-I42 PolarHBondContact O-N 2.93Å; I40-S51 CarbonylContact O-C 3.51Å; I40-S51 WeakPolarHBondContact O-CA 3.31Å; I40-S51 VanDerWaalsContact O-CB 3.28Å; I40-S51 WeakPolarHBondContact O-CB 2.86Å; I40-F52 HydrophobicContact CB-CB 4.44Å; I40-F52 PolarHBondContact N-O 3.06Å; I40-F52 PolarHBondContact O-N 2.75Å; I40-E253 VanDerWaalsContact CG2-CD 3.49Å; I40-E253 HydrophobicContact CG2-CG 4.48Å; I40-E253 VanDerWaalsContact CG2-OE2 3.26Å; I40-E253 WeakPolarHBondContact CG2-OE2 3.48Å
41	V	89.2	Confident	79.7	Confident	56 Å²	56	69.7 Å²	69.7	34%	0.339	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.6	172.7	-178.1	0	0	0	0	108.8	E39 E44 R49	E39-V41 HydrophobicContact CG-CG2 4.08Å; V41-E44 HydrophobicContact CG1-CB 3.84Å; V41-R49 HydrophobicContact CG1-CG 4.42Å
42	I	86.2	Confident	80.5	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-50.8	-179.8	-51.1	-60	0	0	0	109.6	I40 Y50 F52 R252 E253 D271	I40-I42 HydrophobicContact CG2-CD1 3.81Å; I40-I42 PolarHBondContact O-N 2.93Å; I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 WeakPolarHBondContact CB-O 3.11Å; I42-Y50 HydrophobicContact CG1-CD1 3.9Å; I42-Y50 HydrophobicContact CG1-CE1 4.34Å; I42-Y50 HydrophobicContact CG2-CD1 4.22Å; I42-Y50 PolarHBondContact N-O 3.11Å; I42-F52 HydrophobicContact CD1-CD2 3.52Å; I42-F52 HydrophobicContact CD1-CE2 3.49Å; I42-F52 VanDerWaalsContact CD1-CE2 3.49Å; I42-F52 HydrophobicContact CD1-CG 4.11Å; I42-F52 HydrophobicContact CD1-CZ 4.1Å; I42-F52 HydrophobicContact CG1-CD1 4.39Å; I42-F52 HydrophobicContact CG1-CD2 4.11Å; I42-F52 HydrophobicContact CG1-CE1 4.32Å; I42-F52 HydrophobicContact CG1-CE2 3.98Å; I42-F52 HydrophobicContact CG1-CG 4.28Å; I42-F52 HydrophobicContact CG1-CZ 4.09Å; I42-R252 WeakPolarHBondContact O-CD 3.36Å; I42-R252 PolarHBondContact O-NH1 3.44Å; I42-E253 HydrophobicContact CD1-CG 3.27Å; I42-E253 WeakPolarHBondContact CD1-OE1 3.38Å; I42-D271 WeakPolarHBondContact CG2-O 3.27Å
43	I	88.4	Confident	81.7	Confident	38 Å²	38	62.2 Å²	62.2	20%	0.195	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.4	179.2	-178	166.9	0	0	0	109	Y48 R49 Y50 D271	I43-Y48 HydrophobicContact CG2-CD1 3.87Å; I43-Y48 HydrophobicContact CG2-CE1 3.61Å; I43-R49 CarbonylContact O-C 3.5Å; I43-R49 WeakPolarHBondContact O-CA 3.31Å; I43-Y50 PolarHBondContact N-O 2.91Å; I43-Y50 PolarHBondContact O-N 3.41Å; I43-D271 HydrophobicContact CG2-CB 4.04Å
44	E	93.1	Very high	82.6	Confident	74 Å²	74	60.6 Å²	60.6	35%	0.346	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.7	174	-175.7	166.9	174.5	0	0	109.6	V41 Y48 R49 K211 W212	V41-E44 HydrophobicContact CG1-CB 3.84Å; E44-Y48 CarbonylContact C-O 3.53Å; E44-Y48 WeakPolarHBondContact CA-O 3.21Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 VanDerWaalsContact CD-NH1 3.34Å; E44-R49 HydrophobicContact CG-CB 4.29Å; E44-R49 HydrophobicContact CG-CG 4.28Å; E44-R49 IonicContact OE1-NH1 3.59Å; E44-R49 PolarHBondContact OE1-NH1 3.02Å; E44-R49 IonicContact OE2-CZ 2.79Å; E44-R49 IonicContact OE2-NE 2.64Å; E44-R49 IonicContact OE2-NH1 3.11Å; E44-R49 PolarHBondContact OE2-NH1 3.39Å; E44-K211 VanDerWaalsContact OE1-CE 3.26Å; E44-K211 WeakPolarHBondContact OE1-CE 3.41Å; E44-K211 IonicContact OE1-NZ 3.73Å; E44-K211 PolarHBondContact OE1-NZ 2.86Å; E44-W212 HydrophobicContact CG-CZ2 4.02Å
45	N	94.4	Very high	84	Confident	74 Å²	74	57.1 Å²	57.1	40%	0.396	29%	0.292	S	S	.	.			trans	-139.1	-170.9	166.3	66.3	47	0	0	0	108.7	T47 Y48 W212	N45-T47 PolarHBondContact O-N 3.27Å; N45-T47 PolarHBondContact OD1-N 3.43Å; N45-T47 PolarHBondContact OD1-OG1 2.93Å; N45-Y48 PolarHBondContact N-O 3.17Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.31Å; N45-Y48 PolarHBondContact OD1-N 3.43Å; N45-W212 WeakPolarHBondContact O-CH2 3.29Å; N45-W212 WeakPolarHBondContact O-CZ2 3.08Å
46	D	94.1	Very high	85.8	Confident	147 Å²	147	48.8 Å²	48.8	79%	0.786	26%	0.256	S	S	*	.	S	Bend	trans	-67.1	-18.9	-175.5	-63.5	-28.2	0	0	0	114.8
47	T	96.4	Very high	87.6	Confident	60 Å²	60	44.3 Å²	44.3	37%	0.368	22%	0.224	S	C	.	.	S	Bend	trans	-122.6	-11.9	-172.8	67	0	0	0	0	114.3	N45 R62 Y63	N45-T47 PolarHBondContact O-N 3.27Å; N45-T47 PolarHBondContact OD1-N 3.43Å; N45-T47 PolarHBondContact OD1-OG1 2.93Å; T47-R62 HydrophobicContact CG2-CB 4.49Å; T47-R62 PolarHBondContact O-N 3.38Å; T47-Y63 HydrophobicContact CG2-CD2 4.14Å; T47-Y63 HydrophobicContact CG2-CE2 3.59Å
48	Y	96.2	Very high	89.1	Confident	29 Å²	29	40 Å²	40	11%	0.114	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.2	-174.2	-170.6	-99	0	0	0	111.4	I43 E44 N45 R59 I60 Q61 D271	I43-Y48 HydrophobicContact CG2-CD1 3.87Å; I43-Y48 HydrophobicContact CG2-CE1 3.61Å; E44-Y48 CarbonylContact C-O 3.53Å; E44-Y48 WeakPolarHBondContact CA-O 3.21Å; N45-Y48 PolarHBondContact N-O 3.17Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.31Å; N45-Y48 PolarHBondContact OD1-N 3.43Å; Y48-R59 HydrophobicContact CE2-CG 3.82Å; Y48-R59 PolarHBondContact OH-NE 3.25Å; Y48-I60 WeakPolarHBondContact CA-O 3.43Å; Y48-Q61 HydrophobicContact CD2-CG 3.74Å; Y48-Q61 HydrophobicContact CE2-CG 3.77Å; Y48-D271 WeakPolarHBondContact CE1-OD1 2.96Å; Y48-D271 PolarHBondContact OH-OD1 2.83Å; Y48-D271 PolarHBondContact OH-OD2 3.3Å
49	R	95.8	Very high	90.3	Very high	16 Å²	16	36 Å²	36	6%	0.06	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.2	167.6	179.2	175	173.4	143.9	-12.5	109.9	E39 V41 I43 E44 R59 I60 W212	E39-R49 IonicContact OE1-CZ 2.7Å; E39-R49 IonicContact OE1-NE 3.64Å; E39-R49 IonicContact OE1-NH2 3.28Å; E39-R49 PolarHBondContact OE1-NH2 3.11Å; E39-R49 IonicContact OE2-NH2 3.36Å; E39-R49 PolarHBondContact OE2-NH2 2.72Å; E39-R49 VanDerWaalsContact OE2-NH2 3.11Å; V41-R49 HydrophobicContact CG1-CG 4.42Å; I43-R49 CarbonylContact O-C 3.5Å; I43-R49 WeakPolarHBondContact O-CA 3.31Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 VanDerWaalsContact CD-NH1 3.34Å; E44-R49 HydrophobicContact CG-CB 4.29Å; E44-R49 HydrophobicContact CG-CG 4.28Å; E44-R49 IonicContact OE1-NH1 3.59Å; E44-R49 PolarHBondContact OE1-NH1 3.02Å; E44-R49 IonicContact OE2-CZ 2.79Å; E44-R49 IonicContact OE2-NE 2.64Å; E44-R49 IonicContact OE2-NH1 3.11Å; E44-R49 PolarHBondContact OE2-NH1 3.39Å; R49-R59 CarbonylContact O-C 3.59Å; R49-R59 WeakPolarHBondContact O-CA 3.41Å; R49-I60 HydrophobicContact CB-CB 4.16Å; R49-I60 HydrophobicContact CB-CD1 4.4Å; R49-I60 HydrophobicContact CB-CG1 4.4Å; R49-I60 PolarHBondContact N-O 3.37Å; R49-I60 PolarHBondContact O-N 2.97Å; R49-W212 HydrophobicContact CB-CH2 4.05Å; R49-W212 HydrophobicContact CB-CZ2 3.66Å
50	Y	93.9	Very high	90.9	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.1	170.8	-173.5	-124	0	0	0	109.3	I42 I43 F52 M58 R59 K268 D271	I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 WeakPolarHBondContact CB-O 3.11Å; I42-Y50 HydrophobicContact CG1-CD1 3.9Å; I42-Y50 HydrophobicContact CG1-CE1 4.34Å; I42-Y50 HydrophobicContact CG2-CD1 4.22Å; I42-Y50 PolarHBondContact N-O 3.11Å; I43-Y50 PolarHBondContact N-O 2.91Å; I43-Y50 PolarHBondContact O-N 3.41Å; Y50-F52 HydrophobicContact CD1-CE1 4.38Å; Y50-F52 HydrophobicContact CE1-CD1 4.38Å; Y50-F52 AromaticContact CE1-CE1 3.45Å; Y50-F52 HydrophobicContact CE1-CE1 3.45Å; Y50-F52 VanDerWaalsContact CE1-CE1 3.45Å; Y50-F52 AromaticContact CE1-CZ 3.85Å; Y50-F52 HydrophobicContact CE1-CZ 3.85Å; Y50-F52 HydrophobicContact CE2-CE1 4.48Å; Y50-F52 AromaticContact CZ-CE1 3.54Å; Y50-F52 WeakPolarHBondContact OH-CE1 3.29Å; Y50-M58 WeakPolarHBondContact CA-O 3.44Å; Y50-M58 WeakPolarHBondContact CD2-O 3.37Å; Y50-R59 HydrophobicContact CD2-CB 3.91Å; Y50-R59 HydrophobicContact CD2-CG 4.41Å; Y50-R59 HydrophobicContact CE2-CB 4.38Å; Y50-K268 WeakPolarHBondContact OH-CD 3.34Å; Y50-K268 WeakPolarHBondContact OH-CE 3.2Å; Y50-K268 WeakPolarHBondContact OH-CG 2.95Å; Y50-D271 HydrophobicContact CD1-CB 3.93Å; Y50-D271 HydrophobicContact CE1-CB 4.47Å
51	S	91.1	Very high	91.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.3	-177.8	54.3	0	0	0	0	111.9	I40 H53 S57 M58	I40-S51 CarbonylContact O-C 3.51Å; I40-S51 WeakPolarHBondContact O-CA 3.31Å; I40-S51 VanDerWaalsContact O-CB 3.28Å; I40-S51 WeakPolarHBondContact O-CB 2.86Å; S51-H53 PolarHBondContact OG-NE2 3.21Å; S51-S57 CarbonylContact O-C 3.6Å; S51-S57 WeakPolarHBondContact O-CA 2.96Å; S51-M58 PolarHBondContact N-O 3.21Å; S51-M58 PolarHBondContact O-N 3.32Å; S51-M58 VanDerWaalsContact OG-CE 3.26Å; S51-M58 WeakPolarHBondContact OG-CE 3.31Å
52	F	87.7	Confident	92	Very high	13 Å²	13	31.4 Å²	31.4	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.5	170.3	-64	-25.7	0	0	0	110.9	E39 I40 I42 Y50 M224 E253 I257	E39-F52 CarbonylContact C-O 3.34Å; E39-F52 WeakPolarHBondContact CA-O 3.15Å; I40-F52 HydrophobicContact CB-CB 4.44Å; I40-F52 PolarHBondContact N-O 3.06Å; I40-F52 PolarHBondContact O-N 2.75Å; I42-F52 HydrophobicContact CD1-CD2 3.52Å; I42-F52 HydrophobicContact CD1-CE2 3.49Å; I42-F52 VanDerWaalsContact CD1-CE2 3.49Å; I42-F52 HydrophobicContact CD1-CG 4.11Å; I42-F52 HydrophobicContact CD1-CZ 4.1Å; I42-F52 HydrophobicContact CG1-CD1 4.39Å; I42-F52 HydrophobicContact CG1-CD2 4.11Å; I42-F52 HydrophobicContact CG1-CE1 4.32Å; I42-F52 HydrophobicContact CG1-CE2 3.98Å; I42-F52 HydrophobicContact CG1-CG 4.28Å; I42-F52 HydrophobicContact CG1-CZ 4.09Å; Y50-F52 HydrophobicContact CD1-CE1 4.38Å; Y50-F52 HydrophobicContact CE1-CD1 4.38Å; Y50-F52 AromaticContact CE1-CE1 3.45Å; Y50-F52 HydrophobicContact CE1-CE1 3.45Å; Y50-F52 VanDerWaalsContact CE1-CE1 3.45Å; Y50-F52 AromaticContact CE1-CZ 3.85Å; Y50-F52 HydrophobicContact CE1-CZ 3.85Å; Y50-F52 HydrophobicContact CE2-CE1 4.48Å; Y50-F52 AromaticContact CZ-CE1 3.54Å; Y50-F52 WeakPolarHBondContact OH-CE1 3.29Å; F52-M224 HydrophobicContact CB-CE 4.49Å; F52-M224 HydrophobicContact CB-SD 4.26Å; F52-M224 HydrophobicContact CD1-CE 3.79Å; F52-M224 HydrophobicContact CD1-SD 3.66Å; F52-M224 HydrophobicContact CD2-CE 4.16Å; F52-M224 HydrophobicContact CE1-CE 3.97Å; F52-M224 HydrophobicContact CE1-SD 4.21Å; F52-M224 HydrophobicContact CE2-CE 4.37Å; F52-M224 HydrophobicContact CG-CE 3.9Å; F52-M224 HydrophobicContact CG-SD 4.03Å; F52-M224 HydrophobicContact CZ-CE 4.29Å; F52-E253 HydrophobicContact CE2-CG 4.31Å; F52-I257 HydrophobicContact CE2-CD1 3.49Å; F52-I257 VanDerWaalsContact CE2-CD1 3.49Å; F52-I257 HydrophobicContact CE2-CG1 3.8Å; F52-I257 HydrophobicContact CZ-CD1 3.55Å; F52-I257 HydrophobicContact CZ-CG1 3.77Å; F52-I257 HydrophobicContact CZ-CG2 4.25Å
53	H	87.1	Confident	92.5	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	166	172.2	-53.5	-88.1	0	0	0	107.7	Y38 E39 S51 K55 Y56 I206	Y38-H53 WeakPolarHBondContact O-CA 3.28Å; Y38-H53 PolarHBondContact O-ND1 3.1Å; E39-H53 IonicContact OE1-CE1 3.89Å; E39-H53 IonicContact OE1-NE2 2.65Å; S51-H53 PolarHBondContact OG-NE2 3.21Å; H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 2.86Å; H53-Y56 CarbonylContact C-O 3.44Å; H53-Y56 WeakPolarHBondContact CA-O 2.97Å; H53-Y56 WeakPolarHBondContact CB-O 3.47Å; H53-Y56 PolarHBondContact N-O 3.3Å; H53-Y56 PolarHBondContact O-N 3.34Å; H53-Y56 VanDerWaalsContact O-N 3.17Å; H53-I206 HydrophobicContact CB-CD1 3.5Å; H53-I206 HydrophobicContact CB-CG1 3.87Å; H53-I206 HydrophobicContact CB-CG2 4.31Å
54	Y	76.1	Confident	93	Very high	56 Å²	56	40.1 Å²	40.1	22%	0.22	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-46.1	-167.8	-179.6	-107.6	0	0	0	116	N27 I29 I194	N27-Y54 WeakPolarHBondContact O-CD2 3.49Å; N27-Y54 WeakPolarHBondContact O-CE2 3.43Å; I29-Y54 HydrophobicContact CB-CE1 4.43Å; I29-Y54 HydrophobicContact CB-CE2 4.5Å; I29-Y54 HydrophobicContact CG2-CD1 4.36Å; I29-Y54 HydrophobicContact CG2-CE1 3.88Å; Y54-I194 HydrophobicContact CD1-CD1 3.52Å; Y54-I194 HydrophobicContact CE1-CD1 3.43Å; Y54-I194 VanDerWaalsContact CE1-CD1 3.43Å
55	K	84.1	Confident	93.1	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.196	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	4.6	177.3	-71.2	-66.9	175.3	-157.7	0	114	H53 A223 M224 D226	H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 2.86Å; K55-A223 CarbonylContact O-C 3.47Å; K55-A223 WeakPolarHBondContact O-CA 2.93Å; K55-M224 PolarHBondContact O-N 3.46Å; K55-D226 IonicContact NZ-OD1 2.67Å; K55-D226 PolarHBondContact NZ-OD1 2.8Å; K55-D226 IonicContact NZ-OD2 3.98Å; K55-D226 PolarHBondContact NZ-OD2 3.09Å
56	Y	90.9	Very high	93.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.6	-169	-75.5	-93.8	0	0	0	110.8	H53 F91 Y92 I190 I206 F221 E222 A223 M224	H53-Y56 CarbonylContact C-O 3.44Å; H53-Y56 WeakPolarHBondContact CA-O 2.97Å; H53-Y56 WeakPolarHBondContact CB-O 3.47Å; H53-Y56 PolarHBondContact N-O 3.3Å; H53-Y56 PolarHBondContact O-N 3.34Å; H53-Y56 VanDerWaalsContact O-N 3.17Å; Y56-F91 WeakPolarHBondContact OH-CD2 3.39Å; Y56-Y92 HydrophobicContact CD2-CE1 4.04Å; Y56-Y92 HydrophobicContact CD2-CE2 4.26Å; Y56-Y92 AromaticContact CD2-CZ 3.9Å; Y56-Y92 AromaticContact CE2-CD1 3.91Å; Y56-Y92 HydrophobicContact CE2-CD1 3.91Å; Y56-Y92 AromaticContact CE2-CD2 3.7Å; Y56-Y92 HydrophobicContact CE2-CD2 3.7Å; Y56-Y92 AromaticContact CE2-CE1 3.74Å; Y56-Y92 HydrophobicContact CE2-CE1 3.74Å; Y56-Y92 AromaticContact CE2-CE2 3.59Å; Y56-Y92 HydrophobicContact CE2-CE2 3.59Å; Y56-Y92 AromaticContact CE2-CG 3.9Å; Y56-Y92 HydrophobicContact CE2-CG 3.9Å; Y56-Y92 AromaticContact CE2-CZ 3.62Å; Y56-Y92 PolarHBondContact OH-N 3.07Å; Y56-I190 HydrophobicContact CD1-CD1 3.85Å; Y56-I190 HydrophobicContact CD2-CD1 4.17Å; Y56-I190 HydrophobicContact CE1-CD1 4.09Å; Y56-I190 HydrophobicContact CE2-CD1 4.42Å; Y56-I190 HydrophobicContact CG-CD1 3.9Å; Y56-I206 HydrophobicContact CD2-CD1 4.08Å; Y56-I206 HydrophobicContact CG-CD1 4.16Å; Y56-F221 HydrophobicContact CD1-CB 4.11Å; Y56-E222 CarbonylContact C-O 3.35Å; Y56-E222 VanDerWaalsContact CA-O 3.25Å; Y56-E222 WeakPolarHBondContact CA-O 3.13Å; Y56-A223 HydrophobicContact CD1-CB 4.33Å; Y56-A223 HydrophobicContact CE1-CB 3.91Å; Y56-M224 VanDerWaalsContact C-SD 3.54Å
57	S	91	Very high	93.3	Very high	2 Å²	2	37 Å²	37	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.6	161.1	59.9	0	0	0	0	108.9	S51 F221 E222	S51-S57 CarbonylContact O-C 3.6Å; S51-S57 WeakPolarHBondContact O-CA 2.96Å; S57-F221 WeakPolarHBondContact O-CA 3.41Å; S57-E222 PolarHBondContact N-O 3.49Å; S57-E222 PolarHBondContact O-N 3.26Å
58	M	95.4	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.8	171.8	-179.5	179.4	60.3	0	0	109.1	Y50 S51 I60 V208 V219 E220 F221	Y50-M58 WeakPolarHBondContact CA-O 3.44Å; Y50-M58 WeakPolarHBondContact CD2-O 3.37Å; S51-M58 PolarHBondContact N-O 3.21Å; S51-M58 PolarHBondContact O-N 3.32Å; S51-M58 VanDerWaalsContact OG-CE 3.26Å; S51-M58 WeakPolarHBondContact OG-CE 3.31Å; M58-I60 HydrophobicContact CE-CD1 3.99Å; M58-I60 HydrophobicContact CE-CG1 4.47Å; M58-I60 HydrophobicContact CG-CG1 4.15Å; M58-I60 HydrophobicContact SD-CD1 4.09Å; M58-I60 HydrophobicContact SD-CG1 4.28Å; M58-V208 HydrophobicContact SD-CG2 4.28Å; M58-V219 HydrophobicContact CG-CG1 3.81Å; M58-V219 HydrophobicContact SD-CG1 4.08Å; M58-E220 CarbonylContact C-O 3.52Å; M58-E220 WeakPolarHBondContact CA-O 3.19Å; M58-F221 HydrophobicContact CB-CD1 4.01Å; M58-F221 HydrophobicContact CB-CE1 3.93Å; M58-F221 HydrophobicContact CG-CD1 4.13Å; M58-F221 HydrophobicContact CG-CE1 3.71Å; M58-F221 HydrophobicContact CG-CZ 4.19Å; M58-F221 HydrophobicContact SD-CE1 3.68Å; M58-F221 HydrophobicContact SD-CZ 3.92Å
59	R	96	Very high	93.2	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	170.2	-177.1	-177.6	-69.5	122.9	2.8	109.3	Y48 R49 Y50 Q61 V219 E220 E222 T264	Y48-R59 HydrophobicContact CE2-CG 3.82Å; Y48-R59 PolarHBondContact OH-NE 3.25Å; R49-R59 CarbonylContact O-C 3.59Å; R49-R59 WeakPolarHBondContact O-CA 3.41Å; Y50-R59 HydrophobicContact CD2-CB 3.91Å; Y50-R59 HydrophobicContact CD2-CG 4.41Å; Y50-R59 HydrophobicContact CE2-CB 4.38Å; R59-Q61 HydrophobicContact CG-CG 4.17Å; R59-V219 CarbonylContact O-C 3.55Å; R59-V219 VanDerWaalsContact O-CA 3.28Å; R59-V219 WeakPolarHBondContact O-CA 3.43Å; R59-E220 PolarHBondContact N-O 3.14Å; R59-E220 IonicContact NH1-OE2 2.73Å; R59-E220 PolarHBondContact O-N 3.37Å; R59-E222 IonicContact NH1-OE1 3.93Å; R59-T264 VanDerWaalsContact NH1-CG2 3.34Å
60	I	98.3	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.3	175.7	-49	-176.7	0	0	0	108.8	Y48 R49 M58 V208 W212 T217 L218 V219	Y48-I60 WeakPolarHBondContact CA-O 3.43Å; R49-I60 HydrophobicContact CB-CB 4.16Å; R49-I60 HydrophobicContact CB-CD1 4.4Å; R49-I60 HydrophobicContact CB-CG1 4.4Å; R49-I60 PolarHBondContact N-O 3.37Å; R49-I60 PolarHBondContact O-N 2.97Å; M58-I60 HydrophobicContact CE-CD1 3.99Å; M58-I60 HydrophobicContact CE-CG1 4.47Å; M58-I60 HydrophobicContact CG-CG1 4.15Å; M58-I60 HydrophobicContact SD-CD1 4.09Å; M58-I60 HydrophobicContact SD-CG1 4.28Å; I60-V208 HydrophobicContact CD1-CG1 4.21Å; I60-W212 HydrophobicContact CB-CD2 4.39Å; I60-W212 HydrophobicContact CB-CE3 4.18Å; I60-W212 HydrophobicContact CD1-CB 3.93Å; I60-W212 HydrophobicContact CD1-CD2 4.12Å; I60-W212 HydrophobicContact CD1-CG 3.71Å; I60-W212 HydrophobicContact CG2-CB 4.03Å; I60-W212 HydrophobicContact CG2-CD2 3.76Å; I60-W212 HydrophobicContact CG2-CE3 3.33Å; I60-W212 HydrophobicContact CG2-CG 4.06Å; I60-W212 HydrophobicContact CG2-CZ3 3.97Å; I60-T217 HydrophobicContact CG2-CG2 3.44Å; I60-T217 VanDerWaalsContact CG2-CG2 3.44Å; I60-L218 CarbonylContact C-O 3.5Å; I60-L218 WeakPolarHBondContact CA-O 3.26Å; I60-V219 HydrophobicContact CG1-CG1 4.26Å; I60-V219 HydrophobicContact CG1-CG2 4.19Å; I60-V219 HydrophobicContact CG2-CG2 4.18Å
61	Q	97.9	Very high	93.3	Very high	39 Å²	39	43.1 Å²	43.1	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.6	179.2	-66.9	176.9	-114.1	0	0	110.4	Y48 R59 Q64 T217 L218	Y48-Q61 HydrophobicContact CD2-CG 3.74Å; Y48-Q61 HydrophobicContact CE2-CG 3.77Å; R59-Q61 HydrophobicContact CG-CG 4.17Å; Q61-Q64 HydrophobicContact CB-CG 3.57Å; Q61-Q64 WeakPolarHBondContact O-CG 2.94Å; Q61-T217 WeakPolarHBondContact O-CA 3.28Å; Q61-T217 WeakPolarHBondContact O-CG2 3.38Å; Q61-L218 PolarHBondContact N-O 2.85Å; Q61-L218 PolarHBondContact O-N 3.07Å
62	R	97.9	Very high	93.6	Very high	43 Å²	43	47.3 Å²	47.3	16%	0.162	24%	0.238	C	C	.	.	S	Bend	trans	-81.6	162.3	171.5	-62	-63.2	-59.3	-82.3	-4.6	111.3	T47 Q64 W212 G216 T217	T47-R62 HydrophobicContact CG2-CB 4.49Å; T47-R62 PolarHBondContact O-N 3.38Å; R62-Q64 PolarHBondContact O-N 3.14Å; R62-Q64 PolarHBondContact O-NE2 2.78Å; R62-W212 HydrophobicContact CG-CE3 4.17Å; R62-W212 HydrophobicContact CG-CZ3 3.78Å; R62-G216 CarbonylContact C-O 3.48Å; R62-T217 WeakPolarHBondContact CD-OG1 3.48Å; R62-T217 PolarHBondContact NE-OG1 3.42Å
63	Y	97.5	Very high	94	Very high	167 Å²	167	47.1 Å²	47.1	66%	0.655	24%	0.237	S	C	*	.	S	Bend	trans	57.2	33.5	174.2	-45.1	-60.9	0	0	0	113.5	T47 G216	T47-Y63 HydrophobicContact CG2-CD2 4.14Å; T47-Y63 HydrophobicContact CG2-CE2 3.59Å; Y63-G216 WeakPolarHBondContact CA-O 3.46Å; Y63-G216 PolarHBondContact N-O 3.04Å
64	Q	97.8	Very high	94.5	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-84.5	144	176.3	-61	-52.8	-62.7	0	0	110	Q61 R62 Y173 G216 L218	Q61-Q64 HydrophobicContact CB-CG 3.57Å; Q61-Q64 WeakPolarHBondContact O-CG 2.94Å; R62-Q64 PolarHBondContact O-N 3.14Å; R62-Q64 PolarHBondContact O-NE2 2.78Å; Q64-Y173 HydrophobicContact CB-CE2 4.35Å; Q64-Y173 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y173 PolarHBondContact O-OH 3.47Å; Q64-Y173 VanDerWaalsContact O-OH 3.05Å; Q64-G216 PolarHBondContact N-O 2.85Å; Q64-L218 HydrophobicContact CB-CB 3.92Å; Q64-L218 HydrophobicContact CG-CB 3.81Å; Q64-L218 HydrophobicContact CG-CD2 4.5Å
65	P	96.6	Very high	95.4	Very high	100 Å²	100	57.2 Å²	57.2	65%	0.649	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-68.7	162.4	171.4	31.6	-35.2	0	0	0	110.4	P67 Y173	P65-P67 WeakPolarHBondContact O-CD 3.45Å; P65-Y173 WeakPolarHBondContact O-CE2 3.48Å
66	Q	95.7	Very high	95.8	Very high	70 Å²	70	55.3 Å²	55.3	33%	0.327	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-58.2	123.1	172.4	-174.6	178.5	50.3	0	0	109.9	V68 S70 Y173 D175	Q66-V68 VanDerWaalsContact C-N 3.27Å; Q66-V68 VanDerWaalsContact CG-O 3.23Å; Q66-V68 WeakPolarHBondContact CG-O 3.5Å; Q66-V68 PolarHBondContact O-N 2.02Å; Q66-V68 PolarHBondContact OE1-O 3.26Å; Q66-S70 PolarHBondContact NE2-OG 2.79Å; Q66-Y173 HydrophobicContact CB-CE1 3.99Å; Q66-Y173 HydrophobicContact CG-CD1 4.46Å; Q66-Y173 HydrophobicContact CG-CE1 4.09Å; Q66-Y173 PolarHBondContact N-OH 2.93Å; Q66-D175 PolarHBondContact NE2-OD1 2.81Å
67	P	95.2	Very high	95.8	Very high	61 Å²	61	60.4 Å²	60.4	40%	0.396	31%	0.309	S	S	.	.	S	Bend	trans	-70.7	-24.5	-174.4	26.6	-35.1	0	0	0	112.8	P65 L163 Y173	P65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-L163 HydrophobicContact CB-CD1 4.03Å; P67-L163 HydrophobicContact CG-CD1 3.69Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CD1 4.5Å; P67-Y173 HydrophobicContact CG-CD2 4.38Å; P67-Y173 HydrophobicContact CG-CG 4.03Å
68	V	96	Very high	95.9	Very high	9 Å²	9	63.7 Å²	63.7	6%	0.055	33%	0.33	C	S	.	.	S	Bend	trans	-143.8	130.2	-177.1	-172.6	0	0	0	0	110.7	Q66 R72 F73 L135 L140 L163	Q66-V68 VanDerWaalsContact C-N 3.27Å; Q66-V68 VanDerWaalsContact CG-O 3.23Å; Q66-V68 WeakPolarHBondContact CG-O 3.5Å; Q66-V68 PolarHBondContact O-N 2.02Å; Q66-V68 PolarHBondContact OE1-O 3.26Å; V68-R72 HydrophobicContact CG1-CB 4.47Å; V68-F73 HydrophobicContact CB-CE2 4.06Å; V68-F73 HydrophobicContact CB-CZ 4.42Å; V68-F73 HydrophobicContact CG1-CE2 3.87Å; V68-F73 HydrophobicContact CG1-CZ 4.42Å; V68-L135 HydrophobicContact CG1-CD2 3.83Å; V68-L140 HydrophobicContact CG1-CD2 4.5Å; V68-L140 HydrophobicContact CG2-CD2 3.51Å; V68-L163 HydrophobicContact CG2-CD1 3.74Å; V68-L163 HydrophobicContact CG2-CD2 4.06Å
69	S	95.8	Very high	95.8	Very high	68 Å²	68	69.7 Å²	69.7	48%	0.476	35%	0.353	S	S	.	.			trans	-58.5	137.7	178.4	-171.6	0	0	0	0	112.8	D71 R72	S69-D71 VanDerWaalsContact C-N 3.3Å; S69-D71 WeakPolarHBondContact CB-OD1 3.43Å; S69-D71 PolarHBondContact O-N 3.21Å; S69-D71 PolarHBondContact OG-OD1 3.03Å; S69-R72 PolarHBondContact O-N 2.99Å
70	S	94.7	Very high	95.7	Very high	51 Å²	51	70.9 Å²	70.9	36%	0.357	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65.5	-24.9	-173.5	-63.2	0	0	0	0	115.1	Q66 R72 F73 K144	Q66-S70 PolarHBondContact NE2-OG 2.79Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 2.61Å; S70-F73 PolarHBondContact O-N 3.12Å; S70-K144 PolarHBondContact OG-NZ 2.8Å
71	D	95.9	Very high	95.6	Very high	106 Å²	106	74.8 Å²	74.8	57%	0.567	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.7	-179.9	65.2	-43.8	0	0	0	113.8	S69 F73 K74	S69-D71 VanDerWaalsContact C-N 3.3Å; S69-D71 WeakPolarHBondContact CB-OD1 3.43Å; S69-D71 PolarHBondContact O-N 3.21Å; S69-D71 PolarHBondContact OG-OD1 3.03Å; D71-F73 VanDerWaalsContact C-N 3.31Å; D71-K74 PolarHBondContact O-NZ 3.23Å
72	R	97.3	Very high	95.5	Very high	87 Å²	87	79.6 Å²	79.6	33%	0.328	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-69.8	-28.3	175.1	-66.4	179.9	61.8	-168.4	-2.6	112.4	V68 S69 S70 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.47Å; S69-R72 PolarHBondContact O-N 2.99Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 2.61Å; R72-L135 HydrophobicContact CB-CD1 3.7Å; R72-E137 IonicContact CZ-OE1 3.18Å; R72-E137 IonicContact CZ-OE2 2.62Å; R72-E137 IonicContact NE-OE1 2.67Å; R72-E137 PolarHBondContact NE-OE1 3.19Å; R72-E137 IonicContact NE-OE2 3.51Å; R72-E137 IonicContact NH2-OE1 3.01Å; R72-E137 PolarHBondContact NH2-OE1 2.97Å; R72-E137 IonicContact NH2-OE2 3.81Å; R72-E137 PolarHBondContact NH2-OE2 2.93Å
73	F	97.5	Very high	95.4	Very high	9 Å²	9	77.5 Å²	77.5	4%	0.039	39%	0.385	C	S	.	.			trans	-78.5	132.6	179.2	-65	-99.6	0	0	0	111.6	V68 S70 D71 R133 L135 K144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.06Å; V68-F73 HydrophobicContact CB-CZ 4.42Å; V68-F73 HydrophobicContact CG1-CE2 3.87Å; V68-F73 HydrophobicContact CG1-CZ 4.42Å; S70-F73 PolarHBondContact O-N 3.12Å; D71-F73 VanDerWaalsContact C-N 3.31Å; F73-R133 HydrophobicContact CB-CB 3.74Å; F73-L135 HydrophobicContact CD1-CB 3.64Å; F73-L135 HydrophobicContact CE1-CB 3.65Å; F73-L135 HydrophobicContact CE1-CD2 4.38Å; F73-L135 HydrophobicContact CE2-CD2 4.35Å; F73-L135 HydrophobicContact CG-CB 4.16Å; F73-L135 HydrophobicContact CZ-CB 4.17Å; F73-L135 HydrophobicContact CZ-CD2 4.08Å; F73-K144 HydrophobicContact CD1-CB 3.71Å; F73-K144 HydrophobicContact CE1-CB 3.86Å; F73-K144 HydrophobicContact CG-CB 4.1Å; F73-K144 HydrophobicContact CZ-CB 4.36Å; F73-T161 HydrophobicContact CE1-CG2 4.18Å; F73-T161 HydrophobicContact CZ-CG2 3.78Å; F73-L163 HydrophobicContact CZ-CD2 4.02Å
74	K	96.8	Very high	95.3	Very high	139 Å²	139	74 Å²	74	60%	0.604	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.8	179.5	-54	-53.6	176.2	-160.8	0	111.1	D71 M76 R133 V134	D71-K74 PolarHBondContact O-NZ 3.23Å; K74-M76 PolarHBondContact O-N 3.3Å; K74-R133 CarbonylContact O-C 3.55Å; K74-R133 WeakPolarHBondContact O-CA 3.2Å; K74-R133 WeakPolarHBondContact O-CB 3.39Å; K74-V134 PolarHBondContact N-O 2.84Å; K74-V134 PolarHBondContact O-N 3.02Å
75	K	94.9	Very high	95.1	Very high	140 Å²	140	72.1 Å²	72.1	61%	0.609	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.9	-178	-178.9	174	179.5	147.5	0	111.7	S77 E131	K75-S77 PolarHBondContact O-N 3.34Å; K75-E131 WeakPolarHBondContact CD-OE1 3.24Å; K75-E131 WeakPolarHBondContact CE-OE1 3.43Å; K75-E131 IonicContact NZ-OE1 3.94Å; K75-E131 PolarHBondContact NZ-OE1 3.42Å
76	M	93.7	Very high	95	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.025	37%	0.368	C	S	.	.			trans	-73.9	123.8	172.1	-67.6	175.1	75	0	0	111.1	K74 I101 K103 S132 V134	K74-M76 PolarHBondContact O-N 3.3Å; M76-I101 HydrophobicContact CE-CB 4.27Å; M76-I101 HydrophobicContact CE-CG2 3.89Å; M76-I101 WeakPolarHBondContact CE-O 3.08Å; M76-I101 HydrophobicContact SD-CG2 3.99Å; M76-K103 HydrophobicContact CB-CD 4.45Å; M76-K103 HydrophobicContact CB-CG 4.44Å; M76-K103 HydrophobicContact CE-CB 4.03Å; M76-K103 HydrophobicContact SD-CB 4.33Å; M76-S132 PolarHBondContact N-O 3.31Å; M76-S132 VanDerWaalsContact SD-CB 3.6Å; M76-V134 HydrophobicContact CE-CG2 4.36Å; M76-V134 HydrophobicContact CG-CB 4.36Å; M76-V134 HydrophobicContact CG-CG2 3.47Å; M76-V134 VanDerWaalsContact CG-CG2 3.47Å; M76-V134 HydrophobicContact SD-CG2 3.57Å; M76-V134 VanDerWaalsContact SD-CG2 3.57Å
77	S	89.8	Confident	95	Very high	109 Å²	109	70.8 Å²	70.8	76%	0.762	36%	0.358	S	S	*	.			trans	-85.5	-36.3	176	53.8	0	0	0	0	112.5	K75	K75-S77 PolarHBondContact O-N 3.34Å
78	T	93.3	Very high	94.9	Very high	72 Å²	72	72.3 Å²	72.3	44%	0.442	37%	0.37	S	S	.	.	S	Bend	trans	-97.6	164.7	-177.8	51.2	0	0	0	0	112.4	I80 K103	T78-I80 WeakPolarHBondContact CB-O 3.46Å; T78-I80 PolarHBondContact OG1-O 3.33Å; T78-K103 VanDerWaalsContact O-CD 3.31Å; T78-K103 WeakPolarHBondContact O-CD 3.43Å
79	Y	92.7	Very high	94.8	Very high	125 Å²	125	72.3 Å²	72.3	49%	0.49	37%	0.369	S	S	.	.	S	Bend	trans	-65.1	-39.6	175.8	173.4	-111.2	0	0	0	112.6	Y102 K103 Y104	Y79-Y102 AromaticContact CE1-CD1 3.82Å; Y79-Y102 HydrophobicContact CE1-CD1 3.82Å; Y79-Y102 AromaticContact CE1-CE1 3.95Å; Y79-Y102 HydrophobicContact CE1-CE1 3.95Å; Y79-Y102 AromaticContact CZ-CD1 3.81Å; Y79-K103 WeakPolarHBondContact O-CB 3.35Å; Y79-K103 PolarHBondContact O-N 2.02Å; Y79-Y104 AromaticContact CD2-CD2 3.82Å; Y79-Y104 HydrophobicContact CD2-CD2 3.82Å; Y79-Y104 AromaticContact CD2-CE2 3.71Å; Y79-Y104 HydrophobicContact CD2-CE2 3.71Å; Y79-Y104 AromaticContact CE2-CD2 3.6Å; Y79-Y104 HydrophobicContact CE2-CD2 3.6Å; Y79-Y104 AromaticContact CE2-CE2 3.9Å; Y79-Y104 HydrophobicContact CE2-CE2 3.9Å
80	I	95.2	Very high	94.6	Very high	30 Å²	30	72 Å²	72	15%	0.154	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	174.5	-62.4	158.6	0	0	0	108.7	T78 Y82 D100 I101 Y102	T78-I80 WeakPolarHBondContact CB-O 3.46Å; T78-I80 PolarHBondContact OG1-O 3.33Å; I80-Y82 HydrophobicContact CB-CE2 4.42Å; I80-Y82 HydrophobicContact CG2-CD1 3.95Å; I80-Y82 HydrophobicContact CG2-CD2 4.43Å; I80-Y82 HydrophobicContact CG2-CE1 3.58Å; I80-Y82 HydrophobicContact CG2-CE2 4.1Å; I80-Y82 HydrophobicContact CG2-CG 4.36Å; I80-D100 HydrophobicContact CG2-CB 4.1Å; I80-I101 CarbonylContact C-O 3.59Å; I80-I101 WeakPolarHBondContact CA-O 3.49Å; I80-Y102 HydrophobicContact CD1-CD1 4.3Å; I80-Y102 HydrophobicContact CD1-CE1 3.67Å; I80-Y102 HydrophobicContact CG1-CD1 3.78Å; I80-Y102 HydrophobicContact CG1-CE1 3.66Å; I80-Y102 HydrophobicContact CG1-CG 4.42Å
81	Y	95.4	Very high	94.6	Very high	82 Å²	82	69.6 Å²	69.6	32%	0.322	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.4	165.6	-176.8	-82.5	0	0	0	108.9	A83 I101 V134 D136	Y81-A83 HydrophobicContact CD1-CB 4.08Å; Y81-A83 HydrophobicContact CE1-CB 3.9Å; Y81-I101 HydrophobicContact CD1-CD1 4.06Å; Y81-I101 PolarHBondContact N-O 3.17Å; Y81-I101 PolarHBondContact O-N 3.16Å; Y81-V134 HydrophobicContact CD1-CG1 4.09Å; Y81-V134 HydrophobicContact CE1-CG1 3.92Å; Y81-V134 HydrophobicContact CG-CG2 4.35Å; Y81-D136 HydrophobicContact CE1-CB 4.41Å; Y81-D136 PolarHBondContact OH-OD2 3.32Å
82	Y	95.7	Very high	94.3	Very high	140 Å²	140	65.5 Å²	65.5	55%	0.549	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.2	179.3	-57.1	-78.6	0	0	0	109	I80 D100	I80-Y82 HydrophobicContact CB-CE2 4.42Å; I80-Y82 HydrophobicContact CG2-CD1 3.95Å; I80-Y82 HydrophobicContact CG2-CD2 4.43Å; I80-Y82 HydrophobicContact CG2-CE1 3.58Å; I80-Y82 HydrophobicContact CG2-CE2 4.1Å; I80-Y82 HydrophobicContact CG2-CG 4.36Å; Y82-D100 WeakPolarHBondContact CD1-OD1 3.35Å
83	A	95.7	Very high	93.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.9	177.2	0	0	0	0	0	110.3	Y81 Q98 I99 I101 L141	Y81-A83 HydrophobicContact CD1-CB 4.08Å; Y81-A83 HydrophobicContact CE1-CB 3.9Å; A83-Q98 WeakPolarHBondContact O-CA 3.48Å; A83-I99 HydrophobicContact CB-CB 4.39Å; A83-I99 PolarHBondContact N-O 3.4Å; A83-I99 PolarHBondContact O-N 3.39Å; A83-I101 HydrophobicContact CB-CD1 4.21Å; A83-L141 HydrophobicContact CB-CD1 3.78Å; A83-L141 HydrophobicContact CB-CD2 4.02Å
84	T	95.7	Very high	93.5	Very high	94 Å²	94	65.7 Å²	65.7	58%	0.577	35%	0.351	S	S	*	.			trans	-108.8	101	164.8	-57.3	0	0	0	0	106.9	Q86	T84-Q86 PolarHBondContact O-N 3.23Å
85	P	94.4	Very high	93.4	Very high	17 Å²	17	62.5 Å²	62.5	11%	0.11	34%	0.339	C	S	.	.			trans	-51.2	128.8	-177.2	-27.7	35.2	0	0	0	111.6	F87 F89 I99	P85-F87 HydrophobicContact CB-CD2 4.3Å; P85-F87 HydrophobicContact CB-CE2 4.17Å; P85-F87 HydrophobicContact CB-CZ 4.29Å; P85-F87 PolarHBondContact O-N 3.48Å; P85-F87 VanDerWaalsContact O-N 3.12Å; P85-F89 HydrophobicContact CB-CD1 4.49Å; P85-F89 HydrophobicContact CB-CE1 4.03Å; P85-F89 HydrophobicContact CG-CE1 3.88Å; P85-I99 HydrophobicContact CG-CD1 3.73Å; P85-I99 HydrophobicContact CG-CG1 4.17Å
86	Q	93.5	Very high	93.5	Very high	117 Å²	117	56 Å²	56	55%	0.547	31%	0.311	S	S	.	.	S	Bend	trans	-76.4	7.6	178.4	-67.8	176.6	64.3	0	0	112.9	T84	T84-Q86 PolarHBondContact O-N 3.23Å
87	F	95	Very high	93.6	Very high	25 Å²	25	59.6 Å²	59.6	11%	0.11	33%	0.327	C	S	.	.	S	Bend	trans	-134.8	147.4	178.7	50.3	-95.2	0	0	0	109.3	P85 F89 K138 L141 I164 P166	P85-F87 HydrophobicContact CB-CD2 4.3Å; P85-F87 HydrophobicContact CB-CE2 4.17Å; P85-F87 HydrophobicContact CB-CZ 4.29Å; P85-F87 PolarHBondContact O-N 3.48Å; P85-F87 VanDerWaalsContact O-N 3.12Å; F87-F89 AromaticContact CD2-CD1 3.67Å; F87-F89 HydrophobicContact CD2-CD1 3.67Å; F87-F89 HydrophobicContact CD2-CE1 4.31Å; F87-F89 HydrophobicContact CD2-CG 4.44Å; F87-F89 AromaticContact CE2-CD1 3.53Å; F87-F89 HydrophobicContact CE2-CD1 3.53Å; F87-F89 AromaticContact CE2-CE1 3.78Å; F87-F89 HydrophobicContact CE2-CE1 3.78Å; F87-F89 HydrophobicContact CE2-CG 4.34Å; F87-K138 VanDerWaalsContact CD1-O 3.31Å; F87-K138 WeakPolarHBondContact CD1-O 3.38Å; F87-L141 HydrophobicContact CE1-CB 4.38Å; F87-L141 HydrophobicContact CZ-CB 4.06Å; F87-I164 HydrophobicContact CE2-CG2 4.21Å; F87-I164 HydrophobicContact CZ-CG2 4.34Å; F87-I164 WeakPolarHBondContact CZ-O 3.21Å; F87-P166 HydrophobicContact CB-CB 4.04Å; F87-P166 HydrophobicContact CB-CG 4.31Å; F87-P166 HydrophobicContact CD1-CG 4.23Å; F87-P166 VanDerWaalsContact CD2-CA 3.48Å; F87-P166 HydrophobicContact CD2-CB 4.16Å; F87-P166 HydrophobicContact CD2-CG 4.37Å; F87-P166 HydrophobicContact CG-CB 4.07Å; F87-P166 HydrophobicContact CG-CG 4.05Å
88	S	93.3	Very high	93.9	Very high	93 Å²	93	57.3 Å²	57.3	65%	0.65	30%	0.304	S	S	*	.			trans	-92.1	126	179.2	-177.8	0	0	0	0	110.3	H95	S88-H95 PolarHBondContact OG-CE1 3.37Å; S88-H95 PolarHBondContact OG-ND1 3.36Å
89	F	94.3	Very high	94.1	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.039	28%	0.283	C	S	.	.			trans	-145.5	176.4	174.3	76.3	-79.3	0	0	0	111.1	P85 F87 F91 H95 V96 I99 F110 I164	P85-F89 HydrophobicContact CB-CD1 4.49Å; P85-F89 HydrophobicContact CB-CE1 4.03Å; P85-F89 HydrophobicContact CG-CE1 3.88Å; F87-F89 AromaticContact CD2-CD1 3.67Å; F87-F89 HydrophobicContact CD2-CD1 3.67Å; F87-F89 HydrophobicContact CD2-CE1 4.31Å; F87-F89 HydrophobicContact CD2-CG 4.44Å; F87-F89 AromaticContact CE2-CD1 3.53Å; F87-F89 HydrophobicContact CE2-CD1 3.53Å; F87-F89 AromaticContact CE2-CE1 3.78Å; F87-F89 HydrophobicContact CE2-CE1 3.78Å; F87-F89 HydrophobicContact CE2-CG 4.34Å; F89-F91 HydrophobicContact CE2-CB 4.38Å; F89-H95 PolarHBondContact O-ND1 2.92Å; F89-V96 HydrophobicContact CD1-CB 4.42Å; F89-V96 HydrophobicContact CD2-CG2 4.12Å; F89-V96 HydrophobicContact CE1-CB 3.85Å; F89-V96 HydrophobicContact CE1-CG1 4.13Å; F89-V96 HydrophobicContact CE1-CG2 4.19Å; F89-V96 HydrophobicContact CE2-CB 4.14Å; F89-V96 HydrophobicContact CE2-CG2 3.54Å; F89-V96 HydrophobicContact CZ-CB 3.69Å; F89-V96 HydrophobicContact CZ-CG1 3.86Å; F89-V96 HydrophobicContact CZ-CG2 3.58Å; F89-V96 PolarHBondContact O-N 3.39Å; F89-I99 HydrophobicContact CE1-CD1 4.33Å; F89-I99 HydrophobicContact CZ-CD1 3.99Å; F89-F110 HydrophobicContact CE2-CD1 4.38Å; F89-F110 AromaticContact CE2-CE1 3.8Å; F89-F110 HydrophobicContact CE2-CE1 3.8Å; F89-F110 HydrophobicContact CZ-CD1 4.29Å; F89-F110 AromaticContact CZ-CE1 3.77Å; F89-F110 HydrophobicContact CZ-CE1 3.77Å; F89-I164 HydrophobicContact CE1-CG2 4Å; F89-I164 HydrophobicContact CE2-CG2 3.87Å; F89-I164 HydrophobicContact CZ-CG2 3.55Å
90	S	92.7	Very high	94.2	Very high	63 Å²	63	48.5 Å²	48.5	44%	0.441	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.5	176.8	-55.2	0	0	0	0	111.6	F94	S90-F94 CarbonylContact C-O 3.42Å; S90-F94 WeakPolarHBondContact CA-O 3.38Å; S90-F94 WeakPolarHBondContact CB-O 3.38Å
91	F	93.6	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.8	177.1	-171.8	-109.2	0	0	0	108.9	Y56 F89 G93 F94 V96 F110 I120 V170 I190 S191	Y56-F91 WeakPolarHBondContact OH-CD2 3.39Å; F89-F91 HydrophobicContact CE2-CB 4.38Å; F91-G93 PolarHBondContact O-N 3.27Å; F91-F94 PolarHBondContact N-O 3.45Å; F91-F94 PolarHBondContact O-N 3.44Å; F91-V96 HydrophobicContact CB-CG2 3.68Å; F91-F110 HydrophobicContact CB-CD1 3.79Å; F91-F110 HydrophobicContact CB-CE1 4.13Å; F91-F110 HydrophobicContact CD1-CB 4.42Å; F91-F110 AromaticContact CD1-CD1 3.77Å; F91-F110 HydrophobicContact CD1-CD1 3.77Å; F91-F110 HydrophobicContact CD1-CE1 4.27Å; F91-F110 HydrophobicContact CD1-CG 4.21Å; F91-F110 HydrophobicContact CD2-CD1 4.26Å; F91-F110 AromaticContact CD2-CE1 3.97Å; F91-F110 HydrophobicContact CD2-CE1 3.97Å; F91-F110 HydrophobicContact CE1-CD1 4.38Å; F91-F110 HydrophobicContact CE2-CE1 4.46Å; F91-F110 AromaticContact CG-CD1 3.69Å; F91-F110 HydrophobicContact CG-CD1 3.69Å; F91-F110 AromaticContact CG-CE1 3.88Å; F91-F110 HydrophobicContact CG-CE1 3.88Å; F91-I120 HydrophobicContact CE2-CG2 3.92Å; F91-I120 HydrophobicContact CZ-CG2 3.77Å; F91-V170 HydrophobicContact CE2-CG2 4.24Å; F91-I190 HydrophobicContact CZ-CB 4.25Å; F91-S191 WeakPolarHBondContact CE1-O 3.14Å
92	Y	89.8	Confident	94.2	Very high	19 Å²	19	45.7 Å²	45.7	8%	0.075	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	32.6	-170.6	-79.9	-88.3	0	0	0	114.6	Y56 F94 I190 I194 P204	Y56-Y92 HydrophobicContact CD2-CE1 4.04Å; Y56-Y92 HydrophobicContact CD2-CE2 4.26Å; Y56-Y92 AromaticContact CD2-CZ 3.9Å; Y56-Y92 AromaticContact CE2-CD1 3.91Å; Y56-Y92 HydrophobicContact CE2-CD1 3.91Å; Y56-Y92 AromaticContact CE2-CD2 3.7Å; Y56-Y92 HydrophobicContact CE2-CD2 3.7Å; Y56-Y92 AromaticContact CE2-CE1 3.74Å; Y56-Y92 HydrophobicContact CE2-CE1 3.74Å; Y56-Y92 AromaticContact CE2-CE2 3.59Å; Y56-Y92 HydrophobicContact CE2-CE2 3.59Å; Y56-Y92 AromaticContact CE2-CG 3.9Å; Y56-Y92 HydrophobicContact CE2-CG 3.9Å; Y56-Y92 AromaticContact CE2-CZ 3.62Å; Y56-Y92 PolarHBondContact OH-N 3.07Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; Y92-I190 HydrophobicContact CE2-CD1 4.5Å; Y92-I194 HydrophobicContact CD1-CD1 4.41Å; Y92-I194 HydrophobicContact CD1-CG1 4.23Å; Y92-P204 HydrophobicContact CD1-CG 3.9Å; Y92-P204 HydrophobicContact CE1-CB 4.12Å; Y92-P204 HydrophobicContact CE1-CG 3.29Å
93	G	87.9	Confident	93.8	Very high	73 Å²	73	41.1 Å²	41.1	75%	0.753	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-2.6	-179.9	0	0	0	0	0	115.3	F91	F91-G93 PolarHBondContact O-N 3.27Å
94	F	90.6	Very high	93.2	Very high	27 Å²	27	46.1 Å²	46.1	12%	0.118	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.8	173.1	-67	-85.6	0	0	0	111	S90 F91 Y92 I117 L193 R195	S90-F94 CarbonylContact C-O 3.42Å; S90-F94 WeakPolarHBondContact CA-O 3.38Å; S90-F94 WeakPolarHBondContact CB-O 3.38Å; F91-F94 PolarHBondContact N-O 3.45Å; F91-F94 PolarHBondContact O-N 3.44Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; F94-I117 HydrophobicContact CB-CB 4.06Å; F94-I117 HydrophobicContact CB-CD1 3.65Å; F94-I117 HydrophobicContact CB-CG1 4.45Å; F94-I117 HydrophobicContact CB-CG2 3.89Å; F94-I117 HydrophobicContact CD1-CG2 4.01Å; F94-I117 HydrophobicContact CD2-CB 4.26Å; F94-I117 HydrophobicContact CD2-CG2 4.24Å; F94-I117 HydrophobicContact CG-CB 4.14Å; F94-I117 HydrophobicContact CG-CG2 3.76Å; F94-L193 HydrophobicContact CE2-CB 4.37Å; F94-L193 WeakPolarHBondContact CE2-O 3.41Å; F94-R195 HydrophobicContact CZ-CG 4.1Å
95	H	94	Very high	92.4	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.338	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135	168.2	179.8	49	0	0	0	109.6	S88 F89 F112	S88-H95 PolarHBondContact OG-CE1 3.37Å; S88-H95 PolarHBondContact OG-ND1 3.36Å; F89-H95 PolarHBondContact O-ND1 2.92Å; H95-F112 HydrophobicContact CB-CD2 4.2Å; H95-F112 HydrophobicContact CB-CE2 4.15Å; H95-F112 WeakPolarHBondContact O-CB 3.19Å; H95-F112 WeakPolarHBondContact O-CD2 3.43Å; H95-F112 WeakPolarHBondContact O-CG 3.42Å
96	V	96.1	Very high	91.5	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-94.5	121.2	179.8	-173.8	0	0	0	0	109.1	F89 F91 I99 F110 I117	F89-V96 HydrophobicContact CD1-CB 4.42Å; F89-V96 HydrophobicContact CD2-CG2 4.12Å; F89-V96 HydrophobicContact CE1-CB 3.85Å; F89-V96 HydrophobicContact CE1-CG1 4.13Å; F89-V96 HydrophobicContact CE1-CG2 4.19Å; F89-V96 HydrophobicContact CE2-CB 4.14Å; F89-V96 HydrophobicContact CE2-CG2 3.54Å; F89-V96 HydrophobicContact CZ-CB 3.69Å; F89-V96 HydrophobicContact CZ-CG1 3.86Å; F89-V96 HydrophobicContact CZ-CG2 3.58Å; F89-V96 PolarHBondContact O-N 3.39Å; F91-V96 HydrophobicContact CB-CG2 3.68Å; V96-I99 HydrophobicContact CG1-CD1 4Å; V96-I99 HydrophobicContact CG1-CG1 3.64Å; V96-F110 HydrophobicContact CG1-CB 4.43Å; V96-F110 HydrophobicContact CG1-CD1 3.95Å; V96-F110 HydrophobicContact CG1-CG 4.41Å; V96-F110 HydrophobicContact CG2-CD1 3.72Å; V96-F110 HydrophobicContact CG2-CE1 4.37Å; V96-I117 HydrophobicContact CG2-CD1 3.93Å
97	E	95.9	Very high	91.4	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.374	23%	0.225	S	C	.	.			trans	-101.4	-35.3	177.7	-72.6	174.6	172.1	0	0	111.9	Q111 F112 Q113	E97-Q111 PolarHBondContact N-O 3.38Å; E97-F112 HydrophobicContact CG-CD2 3.92Å; E97-F112 HydrophobicContact CG-CE2 4.35Å; E97-F112 WeakPolarHBondContact OE1-CE2 3.48Å; E97-Q113 WeakPolarHBondContact OE2-CA 3.25Å; E97-Q113 PolarHBondContact OE2-N 2.78Å
98	Q	96.7	Very high	91.3	Very high	60 Å²	60	40.6 Å²	40.6	28%	0.28	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.1	-178.1	-172.2	177.3	-69.8	0	0	110.7	A83 D100 Q111	A83-Q98 WeakPolarHBondContact O-CA 3.48Å; Q98-D100 PolarHBondContact NE2-OD1 2.93Å; Q98-Q111 HydrophobicContact CB-CB 4.41Å; Q98-Q111 PolarHBondContact N-O 3.11Å; Q98-Q111 PolarHBondContact O-N 2.98Å
99	I	97	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121	173.8	-56.2	174.3	0	0	0	108.3	A83 P85 F89 V96 I101 N108 V109 F110 L141 I164	A83-I99 HydrophobicContact CB-CB 4.39Å; A83-I99 PolarHBondContact N-O 3.4Å; A83-I99 PolarHBondContact O-N 3.39Å; P85-I99 HydrophobicContact CG-CD1 3.73Å; P85-I99 HydrophobicContact CG-CG1 4.17Å; F89-I99 HydrophobicContact CE1-CD1 4.33Å; F89-I99 HydrophobicContact CZ-CD1 3.99Å; V96-I99 HydrophobicContact CG1-CD1 4Å; V96-I99 HydrophobicContact CG1-CG1 3.64Å; I99-I101 HydrophobicContact CG2-CG1 4.14Å; I99-N108 HydrophobicContact CG2-CB 3.86Å; I99-V109 CarbonylContact C-O 3.6Å; I99-V109 WeakPolarHBondContact CA-O 3.5Å; I99-F110 HydrophobicContact CD1-CD1 4.46Å; I99-F110 HydrophobicContact CD1-CE1 4.19Å; I99-F110 HydrophobicContact CD1-CE2 4.3Å; I99-F110 HydrophobicContact CD1-CZ 4.11Å; I99-F110 HydrophobicContact CG1-CD2 4.34Å; I99-F110 HydrophobicContact CG1-CE2 4.48Å; I99-F110 HydrophobicContact CG1-CG 4.34Å; I99-F110 HydrophobicContact CG2-CD2 4.09Å; I99-F110 HydrophobicContact CG2-CE2 4.03Å; I99-L141 HydrophobicContact CB-CD2 4.35Å; I99-L141 HydrophobicContact CD1-CD2 3.51Å; I99-L141 HydrophobicContact CG1-CD2 4.47Å; I99-I164 HydrophobicContact CD1-CD1 3.86Å
100	D	96.1	Very high	91.3	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.8	177.4	-66.8	8.6	0	0	0	108.2	I80 Y82 Q98 Y102 N108 V109 Q111	I80-D100 HydrophobicContact CG2-CB 4.1Å; Y82-D100 WeakPolarHBondContact CD1-OD1 3.35Å; Q98-D100 PolarHBondContact NE2-OD1 2.93Å; D100-Y102 HydrophobicContact CB-CE2 4.05Å; D100-N108 WeakPolarHBondContact O-CA 3.41Å; D100-V109 HydrophobicContact CB-CB 4.3Å; D100-V109 PolarHBondContact N-O 3.42Å; D100-V109 PolarHBondContact O-N 3.21Å; D100-Q111 PolarHBondContact OD1-NE2 2.64Å; D100-Q111 PolarHBondContact OD2-NE2 2.88Å
101	I	96	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.8	-176.4	-56.3	173.2	0	0	0	108.8	M76 I80 Y81 A83 I99 E107 V134 V143	M76-I101 HydrophobicContact CE-CB 4.27Å; M76-I101 HydrophobicContact CE-CG2 3.89Å; M76-I101 WeakPolarHBondContact CE-O 3.08Å; M76-I101 HydrophobicContact SD-CG2 3.99Å; I80-I101 CarbonylContact C-O 3.59Å; I80-I101 WeakPolarHBondContact CA-O 3.49Å; Y81-I101 HydrophobicContact CD1-CD1 4.06Å; Y81-I101 PolarHBondContact N-O 3.17Å; Y81-I101 PolarHBondContact O-N 3.16Å; A83-I101 HydrophobicContact CB-CD1 4.21Å; I99-I101 HydrophobicContact CG2-CG1 4.14Å; I101-E107 WeakPolarHBondContact CA-O 3.38Å; I101-V134 HydrophobicContact CD1-CG1 4.1Å; I101-V134 HydrophobicContact CD1-CG2 4.04Å; I101-V134 HydrophobicContact CG2-CG2 4.1Å; I101-V143 HydrophobicContact CB-CG2 4.41Å; I101-V143 HydrophobicContact CD1-CG2 3.76Å; I101-V143 HydrophobicContact CG1-CG2 4.14Å; I101-V143 HydrophobicContact CG2-CB 4.42Å; I101-V143 HydrophobicContact CG2-CG1 4.05Å; I101-V143 HydrophobicContact CG2-CG2 3.45Å; I101-V143 VanDerWaalsContact CG2-CG2 3.45Å
102	Y	93.4	Very high	91.3	Very high	54 Å²	54	37.2 Å²	37.2	21%	0.212	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.2	-177.9	-71.7	-98	0	0	0	111.8	Y79 I80 D100 Y104 G106 E107 V109	Y79-Y102 AromaticContact CE1-CD1 3.82Å; Y79-Y102 HydrophobicContact CE1-CD1 3.82Å; Y79-Y102 AromaticContact CE1-CE1 3.95Å; Y79-Y102 HydrophobicContact CE1-CE1 3.95Å; Y79-Y102 AromaticContact CZ-CD1 3.81Å; I80-Y102 HydrophobicContact CD1-CD1 4.3Å; I80-Y102 HydrophobicContact CD1-CE1 3.67Å; I80-Y102 HydrophobicContact CG1-CD1 3.78Å; I80-Y102 HydrophobicContact CG1-CE1 3.66Å; I80-Y102 HydrophobicContact CG1-CG 4.42Å; D100-Y102 HydrophobicContact CB-CE2 4.05Å; Y102-Y104 PolarHBondContact O-N 3.35Å; Y102-G106 WeakPolarHBondContact O-CA 3.12Å; Y102-G106 PolarHBondContact O-N 2.79Å; Y102-E107 HydrophobicContact CD2-CB 4.49Å; Y102-E107 PolarHBondContact N-O 3.17Å; Y102-V109 HydrophobicContact CD2-CG2 4.06Å; Y102-V109 HydrophobicContact CE2-CB 4.16Å; Y102-V109 HydrophobicContact CE2-CG2 3.6Å
103	K	88.4	Confident	91.3	Very high	43 Å²	43	42.6 Å²	42.6	19%	0.187	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.2	-170.4	176.9	174.8	173.5	178.8	0	115.7	M76 T78 Y79 S132	M76-K103 HydrophobicContact CB-CD 4.45Å; M76-K103 HydrophobicContact CB-CG 4.44Å; M76-K103 HydrophobicContact CE-CB 4.03Å; M76-K103 HydrophobicContact SD-CB 4.33Å; T78-K103 VanDerWaalsContact O-CD 3.31Å; T78-K103 WeakPolarHBondContact O-CD 3.43Å; Y79-K103 WeakPolarHBondContact O-CB 3.35Å; Y79-K103 PolarHBondContact O-N 2.02Å; K103-S132 WeakPolarHBondContact O-CB 3.4Å; K103-S132 PolarHBondContact O-OG 3.05Å
104	Y	83.3	Confident	91.4	Very high	105 Å²	105	48.4 Å²	48.4	41%	0.412	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-34.4	-172.6	-66.1	-57.2	0	0	0	113.8	Y79 Y102 S130	Y79-Y104 AromaticContact CD2-CD2 3.82Å; Y79-Y104 HydrophobicContact CD2-CD2 3.82Å; Y79-Y104 AromaticContact CD2-CE2 3.71Å; Y79-Y104 HydrophobicContact CD2-CE2 3.71Å; Y79-Y104 AromaticContact CE2-CD2 3.6Å; Y79-Y104 HydrophobicContact CE2-CD2 3.6Å; Y79-Y104 AromaticContact CE2-CE2 3.9Å; Y79-Y104 HydrophobicContact CE2-CE2 3.9Å; Y102-Y104 PolarHBondContact O-N 3.35Å; Y104-S130 VanDerWaalsContact C-OG 3.3Å; Y104-S130 VanDerWaalsContact CA-OG 3.26Å; Y104-S130 WeakPolarHBondContact CA-OG 3.49Å; Y104-S130 WeakPolarHBondContact O-CB 3.1Å; Y104-S130 PolarHBondContact O-OG 2.88Å
105	H	78.9	Confident	91.5	Very high	78 Å²	78	51 Å²	51	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-15.8	-179.7	-66.5	-78.6	0	0	0	112.2	E107 F127	H105-E107 HydrophobicContact CB-CB 4.17Å; H105-E107 PolarHBondContact O-N 3.01Å; H105-F127 AromaticContact CE1-CE1 3.72Å; H105-F127 AromaticContact CE1-CZ 3.81Å; H105-F127 AromaticContact ND1-CE1 3.84Å
106	G	75.8	Confident	91.5	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.031	24%	0.237	C	C	.	.			trans	69	9.5	-169.1	0	0	0	0	0	112.8	Y102 N108 T145	Y102-G106 WeakPolarHBondContact O-CA 3.12Å; Y102-G106 PolarHBondContact O-N 2.79Å; G106-N108 PolarHBondContact O-ND2 3.44Å; G106-T145 WeakPolarHBondContact CA-OG1 3.44Å
107	E	90.5	Very high	91.4	Very high	55 Å²	55	51.9 Å²	51.9	26%	0.257	24%	0.237	S	C	.	.			trans	-61.9	134.6	177.3	-172.9	-171.7	-179	0	0	110	I101 Y102 H105 V109 T119	I101-E107 WeakPolarHBondContact CA-O 3.38Å; Y102-E107 HydrophobicContact CD2-CB 4.49Å; Y102-E107 PolarHBondContact N-O 3.17Å; H105-E107 HydrophobicContact CB-CB 4.17Å; H105-E107 PolarHBondContact O-N 3.01Å; E107-V109 HydrophobicContact CG-CG2 4.02Å; E107-V109 WeakPolarHBondContact OE1-CG2 3.1Å; E107-T119 HydrophobicContact CG-CG2 3.46Å; E107-T119 VanDerWaalsContact CG-CG2 3.46Å; E107-T119 WeakPolarHBondContact OE1-CG2 3.26Å
108	N	93	Very high	91.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.3	176.1	-56.1	-101.1	0	0	0	108.2	I99 D100 G106 F110 T119 I120 V143	I99-N108 HydrophobicContact CG2-CB 3.86Å; D100-N108 WeakPolarHBondContact O-CA 3.41Å; G106-N108 PolarHBondContact O-ND2 3.44Å; N108-F110 HydrophobicContact CB-CD2 4.38Å; N108-F110 HydrophobicContact CB-CE2 3.79Å; N108-F110 WeakPolarHBondContact O-CD2 3.17Å; N108-T119 WeakPolarHBondContact O-CA 3.26Å; N108-I120 HydrophobicContact CB-CD1 4.29Å; N108-I120 HydrophobicContact CB-CG1 3.62Å; N108-I120 PolarHBondContact N-O 2.97Å; N108-I120 PolarHBondContact O-N 3.27Å; N108-V143 WeakPolarHBondContact OD1-CG2 2.92Å
109	V	94.4	Very high	91.4	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.2	-177.7	178.1	0	0	0	0	109.7	I99 D100 Y102 E107 Y116	I99-V109 CarbonylContact C-O 3.6Å; I99-V109 WeakPolarHBondContact CA-O 3.5Å; D100-V109 HydrophobicContact CB-CB 4.3Å; D100-V109 PolarHBondContact N-O 3.42Å; D100-V109 PolarHBondContact O-N 3.21Å; Y102-V109 HydrophobicContact CD2-CG2 4.06Å; Y102-V109 HydrophobicContact CE2-CB 4.16Å; Y102-V109 HydrophobicContact CE2-CG2 3.6Å; E107-V109 HydrophobicContact CG-CG2 4.02Å; E107-V109 WeakPolarHBondContact OE1-CG2 3.1Å; V109-Y116 HydrophobicContact CG1-CD2 3.61Å; V109-Y116 HydrophobicContact CG1-CE2 3.91Å
110	F	94.2	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.9	-171.7	-71.4	-140.2	0	0	0	109.3	F89 F91 V96 I99 N108 I117 G118 I120 I164	F89-F110 HydrophobicContact CE2-CD1 4.38Å; F89-F110 AromaticContact CE2-CE1 3.8Å; F89-F110 HydrophobicContact CE2-CE1 3.8Å; F89-F110 HydrophobicContact CZ-CD1 4.29Å; F89-F110 AromaticContact CZ-CE1 3.77Å; F89-F110 HydrophobicContact CZ-CE1 3.77Å; F91-F110 HydrophobicContact CB-CD1 3.79Å; F91-F110 HydrophobicContact CB-CE1 4.13Å; F91-F110 HydrophobicContact CD1-CB 4.42Å; F91-F110 AromaticContact CD1-CD1 3.77Å; F91-F110 HydrophobicContact CD1-CD1 3.77Å; F91-F110 HydrophobicContact CD1-CE1 4.27Å; F91-F110 HydrophobicContact CD1-CG 4.21Å; F91-F110 HydrophobicContact CD2-CD1 4.26Å; F91-F110 AromaticContact CD2-CE1 3.97Å; F91-F110 HydrophobicContact CD2-CE1 3.97Å; F91-F110 HydrophobicContact CE1-CD1 4.38Å; F91-F110 HydrophobicContact CE2-CE1 4.46Å; F91-F110 AromaticContact CG-CD1 3.69Å; F91-F110 HydrophobicContact CG-CD1 3.69Å; F91-F110 AromaticContact CG-CE1 3.88Å; F91-F110 HydrophobicContact CG-CE1 3.88Å; V96-F110 HydrophobicContact CG1-CB 4.43Å; V96-F110 HydrophobicContact CG1-CD1 3.95Å; V96-F110 HydrophobicContact CG1-CG 4.41Å; V96-F110 HydrophobicContact CG2-CD1 3.72Å; V96-F110 HydrophobicContact CG2-CE1 4.37Å; I99-F110 HydrophobicContact CD1-CD1 4.46Å; I99-F110 HydrophobicContact CD1-CE1 4.19Å; I99-F110 HydrophobicContact CD1-CE2 4.3Å; I99-F110 HydrophobicContact CD1-CZ 4.11Å; I99-F110 HydrophobicContact CG1-CD2 4.34Å; I99-F110 HydrophobicContact CG1-CE2 4.48Å; I99-F110 HydrophobicContact CG1-CG 4.34Å; I99-F110 HydrophobicContact CG2-CD2 4.09Å; I99-F110 HydrophobicContact CG2-CE2 4.03Å; N108-F110 HydrophobicContact CB-CD2 4.38Å; N108-F110 HydrophobicContact CB-CE2 3.79Å; N108-F110 WeakPolarHBondContact O-CD2 3.17Å; F110-I117 VanDerWaalsContact C-CG1 3.5Å; F110-I117 HydrophobicContact CB-CD1 4.1Å; F110-I117 HydrophobicContact CB-CG1 3.75Å; F110-I117 VanDerWaalsContact O-CG1 3.24Å; F110-I117 WeakPolarHBondContact O-CG1 3.41Å; F110-I117 PolarHBondContact O-N 3.03Å; F110-G118 WeakPolarHBondContact CB-O 3.44Å; F110-G118 PolarHBondContact N-O 3.4Å; F110-I120 HydrophobicContact CE2-CD1 4.28Å; F110-I120 HydrophobicContact CE2-CG1 3.88Å; F110-I120 HydrophobicContact CE2-CG2 4.1Å; F110-I120 HydrophobicContact CZ-CD1 4.19Å; F110-I120 HydrophobicContact CZ-CG1 4.21Å; F110-I120 HydrophobicContact CZ-CG2 4.03Å; F110-I164 HydrophobicContact CE1-CD1 4.43Å; F110-I164 HydrophobicContact CE2-CD1 4.06Å; F110-I164 HydrophobicContact CZ-CD1 3.51Å; F110-I164 HydrophobicContact CZ-CG1 4.07Å
111	Q	93.1	Very high	91.3	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	-176.9	-61.9	-178.7	32.9	0	0	113.2	E97 Q98 D100 T115	E97-Q111 PolarHBondContact N-O 3.38Å; Q98-Q111 HydrophobicContact CB-CB 4.41Å; Q98-Q111 PolarHBondContact N-O 3.11Å; Q98-Q111 PolarHBondContact O-N 2.98Å; D100-Q111 PolarHBondContact OD1-NE2 2.64Å; D100-Q111 PolarHBondContact OD2-NE2 2.88Å; Q111-T115 VanDerWaalsContact CA-O 3.27Å; Q111-T115 WeakPolarHBondContact CA-O 3.3Å
112	F	92.5	Very high	91.3	Very high	48 Å²	48	46 Å²	46	21%	0.211	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.8	169.3	178.3	-110.1	0	0	0	108.8	H95 E97 K114 T115 I117	H95-F112 HydrophobicContact CB-CD2 4.2Å; H95-F112 HydrophobicContact CB-CE2 4.15Å; H95-F112 WeakPolarHBondContact O-CB 3.19Å; H95-F112 WeakPolarHBondContact O-CD2 3.43Å; H95-F112 WeakPolarHBondContact O-CG 3.42Å; E97-F112 HydrophobicContact CG-CD2 3.92Å; E97-F112 HydrophobicContact CG-CE2 4.35Å; E97-F112 WeakPolarHBondContact OE1-CE2 3.48Å; F112-K114 PolarHBondContact O-N 2.04Å; F112-T115 PolarHBondContact N-O 2.78Å; F112-T115 WeakPolarHBondContact O-CA 3.37Å; F112-T115 WeakPolarHBondContact O-CB 3.24Å; F112-T115 PolarHBondContact O-N 3.02Å; F112-I117 HydrophobicContact CB-CD1 4.23Å; F112-I117 HydrophobicContact CB-CG2 3.76Å
113	Q	90.6	Very high	91.3	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.7	-177.6	-61.5	-179.6	-14.9	0	0	112.8	E97 T115	E97-Q113 WeakPolarHBondContact OE2-CA 3.25Å; E97-Q113 PolarHBondContact OE2-N 2.78Å; Q113-T115 PolarHBondContact O-N 2.93Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; Q113-T115 PolarHBondContact O-OG1 2.88Å
114	K	89.4	Confident	91.6	Very high	195 Å²	195	43.7 Å²	43.7	85%	0.848	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	19.5	-176.2	-50.2	178.5	178.9	-179.4	0	114.5	F112	F112-K114 PolarHBondContact O-N 2.04Å
115	T	92.8	Very high	92.1	Very high	82 Å²	82	42.3 Å²	42.3	50%	0.503	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137	175.7	-53.2	0	0	0	0	109	Q111 F112 Q113	Q111-T115 VanDerWaalsContact CA-O 3.27Å; Q111-T115 WeakPolarHBondContact CA-O 3.3Å; F112-T115 PolarHBondContact N-O 2.78Å; F112-T115 WeakPolarHBondContact O-CA 3.37Å; F112-T115 WeakPolarHBondContact O-CB 3.24Å; F112-T115 PolarHBondContact O-N 3.02Å; Q113-T115 PolarHBondContact O-N 2.93Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; Q113-T115 PolarHBondContact O-OG1 2.88Å
116	Y	94.1	Very high	92.7	Very high	91 Å²	91	45.8 Å²	45.8	36%	0.357	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.7	171.6	174.3	-102.8	0	0	0	111.4	V109 G118 T119 L193	V109-Y116 HydrophobicContact CG1-CD2 3.61Å; V109-Y116 HydrophobicContact CG1-CE2 3.91Å; Y116-G118 WeakPolarHBondContact CE2-O 3.48Å; Y116-G118 WeakPolarHBondContact OH-CA 3.25Å; Y116-T119 VanDerWaalsContact CE2-OG1 3.26Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.25Å; Y116-T119 PolarHBondContact OH-N 2.76Å; Y116-T119 PolarHBondContact OH-OG1 3.45Å; Y116-L193 HydrophobicContact CD1-CD1 3.99Å; Y116-L193 HydrophobicContact CD1-CD2 4.25Å; Y116-L193 HydrophobicContact CD1-CG 4.13Å; Y116-L193 HydrophobicContact CE1-CD1 4.47Å; Y116-L193 HydrophobicContact CE1-CD2 4.02Å; Y116-L193 HydrophobicContact CE1-CG 4.11Å; Y116-L193 WeakPolarHBondContact O-CD1 3.47Å
117	I	94	Very high	93.6	Very high	4 Å²	4	48 Å²	48	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-13.3	174.5	56.5	166.2	0	0	0	113.7	F94 V96 F110 F112 G192 L193	F94-I117 HydrophobicContact CB-CB 4.06Å; F94-I117 HydrophobicContact CB-CD1 3.65Å; F94-I117 HydrophobicContact CB-CG1 4.45Å; F94-I117 HydrophobicContact CB-CG2 3.89Å; F94-I117 HydrophobicContact CD1-CG2 4.01Å; F94-I117 HydrophobicContact CD2-CB 4.26Å; F94-I117 HydrophobicContact CD2-CG2 4.24Å; F94-I117 HydrophobicContact CG-CB 4.14Å; F94-I117 HydrophobicContact CG-CG2 3.76Å; V96-I117 HydrophobicContact CG2-CD1 3.93Å; F110-I117 VanDerWaalsContact C-CG1 3.5Å; F110-I117 HydrophobicContact CB-CD1 4.1Å; F110-I117 HydrophobicContact CB-CG1 3.75Å; F110-I117 VanDerWaalsContact O-CG1 3.24Å; F110-I117 WeakPolarHBondContact O-CG1 3.41Å; F110-I117 PolarHBondContact O-N 3.03Å; F112-I117 HydrophobicContact CB-CD1 4.23Å; F112-I117 HydrophobicContact CB-CG2 3.76Å; I117-G192 WeakPolarHBondContact O-CA 3.22Å; I117-L193 PolarHBondContact O-N 2.96Å
118	G	95.6	Very high	93.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	177.2	177.8	0	0	0	0	0	113.8	F110 Y116 S191	F110-G118 WeakPolarHBondContact CB-O 3.44Å; F110-G118 PolarHBondContact N-O 3.4Å; Y116-G118 WeakPolarHBondContact CE2-O 3.48Å; Y116-G118 WeakPolarHBondContact OH-CA 3.25Å; G118-S191 CarbonylContact C-O 3.6Å; G118-S191 WeakPolarHBondContact CA-O 3.37Å
119	T	96.8	Very high	93.9	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.4	-177.7	-57.3	0	0	0	0	109.8	E107 N108 Y116 D121 S191	E107-T119 HydrophobicContact CG-CG2 3.46Å; E107-T119 VanDerWaalsContact CG-CG2 3.46Å; E107-T119 WeakPolarHBondContact OE1-CG2 3.26Å; N108-T119 WeakPolarHBondContact O-CA 3.26Å; Y116-T119 VanDerWaalsContact CE2-OG1 3.26Å; Y116-T119 WeakPolarHBondContact CE2-OG1 3.25Å; Y116-T119 PolarHBondContact OH-N 2.76Å; Y116-T119 PolarHBondContact OH-OG1 3.45Å; T119-D121 HydrophobicContact CG2-CB 4.35Å; T119-S191 PolarHBondContact N-O 3.33Å; T119-S191 PolarHBondContact O-N 2.85Å; T119-S191 VanDerWaalsContact O-O 3.08Å
120	I	96.8	Very high	93.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.7	155.8	71	172.2	0	0	0	107.8	F91 N108 F110 I164 V170 F172 I190	F91-I120 HydrophobicContact CE2-CG2 3.92Å; F91-I120 HydrophobicContact CZ-CG2 3.77Å; N108-I120 HydrophobicContact CB-CD1 4.29Å; N108-I120 HydrophobicContact CB-CG1 3.62Å; N108-I120 PolarHBondContact N-O 2.97Å; N108-I120 PolarHBondContact O-N 3.27Å; F110-I120 HydrophobicContact CE2-CD1 4.28Å; F110-I120 HydrophobicContact CE2-CG1 3.88Å; F110-I120 HydrophobicContact CE2-CG2 4.1Å; F110-I120 HydrophobicContact CZ-CD1 4.19Å; F110-I120 HydrophobicContact CZ-CG1 4.21Å; F110-I120 HydrophobicContact CZ-CG2 4.03Å; I120-I164 HydrophobicContact CD1-CD1 3.87Å; I120-I164 HydrophobicContact CD1-CG1 3.79Å; I120-V170 HydrophobicContact CB-CG1 4.39Å; I120-V170 HydrophobicContact CD1-CG1 3.72Å; I120-V170 HydrophobicContact CG2-CG1 4.05Å; I120-V170 HydrophobicContact CG2-CG2 4.21Å; I120-F172 HydrophobicContact CB-CE1 4.22Å; I120-F172 HydrophobicContact CB-CZ 4.1Å; I120-F172 HydrophobicContact CD1-CE1 4.3Å; I120-I190 HydrophobicContact CB-CG2 4.11Å; I120-I190 HydrophobicContact CG2-CB 4.18Å; I120-I190 HydrophobicContact CG2-CG2 3.62Å
121	D	94.7	Very high	93.9	Very high	16 Å²	16	57.3 Å²	57.3	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.8	-178	-160.6	-3	0	0	0	110.3	T119 Y123 F172 S188 E189	T119-D121 HydrophobicContact CG2-CB 4.35Å; D121-Y123 HydrophobicContact CB-CD1 4.26Å; D121-Y123 WeakPolarHBondContact OD1-CD1 3.37Å; D121-Y123 WeakPolarHBondContact OD2-CD1 3.28Å; D121-Y123 VanDerWaalsContact OD2-CE1 3.28Å; D121-Y123 WeakPolarHBondContact OD2-CE1 3.33Å; D121-F172 WeakPolarHBondContact O-CZ 3.39Å; D121-S188 CarbonylContact O-C 3.56Å; D121-S188 WeakPolarHBondContact O-CA 3.37Å; D121-E189 HydrophobicContact CB-CG 4.25Å; D121-E189 PolarHBondContact N-O 3.02Å; D121-E189 PolarHBondContact O-N 3.47Å
122	S	95.5	Very high	94	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	96.1	176	-171.2	0	0	0	0	107.8	M160 S188	S122-M160 PolarHBondContact OG-SD 2.82Å; S122-S188 WeakPolarHBondContact CA-OG 3.36Å; S122-S188 WeakPolarHBondContact CB-OG 3.41Å; S122-S188 PolarHBondContact OG-OG 3.19Å
123	Y	93.6	Very high	94.2	Very high	47 Å²	47	57.2 Å²	57.2	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167.8	-166.9	77.3	-80.2	0	0	0	113.1	D121 K125 Q187	D121-Y123 HydrophobicContact CB-CD1 4.26Å; D121-Y123 WeakPolarHBondContact OD1-CD1 3.37Å; D121-Y123 WeakPolarHBondContact OD2-CD1 3.28Å; D121-Y123 VanDerWaalsContact OD2-CE1 3.28Å; D121-Y123 WeakPolarHBondContact OD2-CE1 3.33Å; Y123-K125 HydrophobicContact CE2-CG 3.86Å; Y123-Q187 HydrophobicContact CD1-CB 4.04Å; Y123-Q187 HydrophobicContact CE1-CB 3.68Å; Y123-Q187 PolarHBondContact N-O 3.5Å; Y123-Q187 PolarHBondContact O-N 2.78Å; Y123-Q187 PolarHBondContact OH-OE1 3.14Å
124	I	94.3	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.9	176.3	-66.7	177.7	0	0	0	108.2	F127 F147 I149 A158 M160 I181 R185 L186	I124-F127 WeakPolarHBondContact O-CD1 3.41Å; I124-F147 HydrophobicContact CB-CG 4.4Å; I124-F147 HydrophobicContact CD1-CB 4.31Å; I124-F147 HydrophobicContact CD1-CD2 4.05Å; I124-F147 HydrophobicContact CD1-CG 4.3Å; I124-F147 HydrophobicContact CG1-CD2 4.31Å; I124-I149 HydrophobicContact CB-CD1 4.45Å; I124-I149 HydrophobicContact CD1-CD1 3.48Å; I124-I149 VanDerWaalsContact CD1-CD1 3.48Å; I124-I149 HydrophobicContact CG2-CD1 3.87Å; I124-I149 HydrophobicContact CG2-CG1 4.16Å; I124-A158 HydrophobicContact CD1-CB 3.22Å; I124-M160 HydrophobicContact CD1-CE 3.78Å; I124-M160 HydrophobicContact CD1-SD 4.45Å; I124-M160 HydrophobicContact CG1-CE 3.52Å; I124-M160 HydrophobicContact CG1-SD 4.08Å; I124-I181 HydrophobicContact CD1-CD1 4.27Å; I124-I181 HydrophobicContact CG2-CD1 3.58Å; I124-R185 CarbonylContact C-O 3.57Å; I124-R185 VanDerWaalsContact CA-O 3.31Å; I124-R185 WeakPolarHBondContact CA-O 3.49Å; I124-L186 HydrophobicContact CD1-CD2 4.11Å; I124-L186 HydrophobicContact CG1-CD2 3.98Å
125	K	93.7	Very high	94.8	Very high	76 Å²	76	42.2 Å²	42.2	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	149.6	171	-65.6	178.4	-178.9	161.3	0	110.8	Y123 F127 R185	Y123-K125 HydrophobicContact CE2-CG 3.86Å; K125-F127 VanDerWaalsContact C-N 3.28Å; K125-F127 PolarHBondContact O-N 2.03Å; K125-R185 HydrophobicContact CB-CB 4.36Å; K125-R185 PolarHBondContact N-O 2.89Å; K125-R185 PolarHBondContact O-NE 2.98Å; K125-R185 PolarHBondContact O-NH2 2.78Å
126	E	92.3	Very high	94.9	Very high	152 Å²	152	40.2 Å²	40.2	71%	0.71	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	34.7	174.1	-54.9	169.6	-172.6	0	0	113.6	R185	E126-R185 VanDerWaalsContact C-NH2 3.27Å; E126-R185 PolarHBondContact O-NH2 2.97Å; E126-R185 IonicContact OE2-NE 3.66Å
127	F	93.9	Very high	95	Very high	50 Å²	50	39.4 Å²	39.4	22%	0.219	18%	0.184	C	C	.	.			trans	-76.2	152.7	170.2	69.3	-81.2	0	0	0	110.6	H105 I124 K125 S130 F147 I149	H105-F127 AromaticContact CE1-CE1 3.72Å; H105-F127 AromaticContact CE1-CZ 3.81Å; H105-F127 AromaticContact ND1-CE1 3.84Å; I124-F127 WeakPolarHBondContact O-CD1 3.41Å; K125-F127 VanDerWaalsContact C-N 3.28Å; K125-F127 PolarHBondContact O-N 2.03Å; F127-S130 WeakPolarHBondContact CE2-OG 3.23Å; F127-F147 HydrophobicContact CB-CB 4.39Å; F127-F147 HydrophobicContact CB-CD1 4.12Å; F127-F147 HydrophobicContact CD1-CD1 4.28Å; F127-F147 HydrophobicContact CD2-CD1 4.08Å; F127-F147 AromaticContact CG-CD1 3.9Å; F127-F147 HydrophobicContact CG-CD1 3.9Å; F127-I149 HydrophobicContact CB-CG1 4.18Å
128	E	94.8	Very high	95	Very high	122 Å²	122	46.2 Å²	46.2	57%	0.57	21%	0.214	S	C	*	.	S	Bend	trans	-87.8	-39.7	178.8	-60.5	-171.7	141	0	0	112	S148 N150	E128-S148 PolarHBondContact N-O 2.69Å; E128-N150 HydrophobicContact CG-CB 4.34Å; E128-N150 WeakPolarHBondContact OE1-CB 3.49Å
129	N	94.5	Very high	94.9	Very high	92 Å²	92	53.2 Å²	53.2	49%	0.492	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.2	-179.7	-172.5	27.5	0	0	0	110.5	S148	N129-S148 PolarHBondContact N-O 3.43Å; N129-S148 PolarHBondContact O-N 3.09Å
130	S	94.7	Very high	94.9	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.1	175.8	60.4	0	0	0	0	112.7	Y104 F127 N146	Y104-S130 VanDerWaalsContact C-OG 3.3Å; Y104-S130 VanDerWaalsContact CA-OG 3.26Å; Y104-S130 WeakPolarHBondContact CA-OG 3.49Å; Y104-S130 WeakPolarHBondContact O-CB 3.1Å; Y104-S130 PolarHBondContact O-OG 2.88Å; F127-S130 WeakPolarHBondContact CE2-OG 3.23Å; S130-N146 CarbonylContact C-O 3.54Å; S130-N146 WeakPolarHBondContact CA-O 3.5Å
131	E	94	Very high	94.9	Very high	46 Å²	46	53.5 Å²	53.5	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110.5	174	-174.6	-175.7	-146.7	0	0	110.4	K75 R133 N146	K75-E131 WeakPolarHBondContact CD-OE1 3.24Å; K75-E131 WeakPolarHBondContact CE-OE1 3.43Å; K75-E131 IonicContact NZ-OE1 3.94Å; K75-E131 PolarHBondContact NZ-OE1 3.42Å; E131-R133 IonicContact OE2-CZ 2.76Å; E131-R133 IonicContact OE2-NE 3.57Å; E131-R133 IonicContact OE2-NH2 3.83Å; E131-R133 PolarHBondContact OE2-NH2 3.13Å; E131-N146 PolarHBondContact N-O 2.98Å; E131-N146 PolarHBondContact O-N 3.37Å
132	S	95.4	Very high	95	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143	171.7	-59.6	0	0	0	0	113.2	M76 K103 K144 T145	M76-S132 PolarHBondContact N-O 3.31Å; M76-S132 VanDerWaalsContact SD-CB 3.6Å; K103-S132 WeakPolarHBondContact O-CB 3.4Å; K103-S132 PolarHBondContact O-OG 3.05Å; S132-K144 CarbonylContact C-O 3.6Å; S132-K144 WeakPolarHBondContact CA-O 3.41Å; S132-T145 WeakPolarHBondContact OG-CG2 3.33Å; S132-T145 PolarHBondContact OG-OG1 2.9Å
133	R	96	Very high	95.1	Very high	78 Å²	78	52.8 Å²	52.8	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	173.6	-53.4	-171.3	178	129.6	7	108.8	F73 K74 E131 V143 K144	F73-R133 HydrophobicContact CB-CB 3.74Å; K74-R133 CarbonylContact O-C 3.55Å; K74-R133 WeakPolarHBondContact O-CA 3.2Å; K74-R133 WeakPolarHBondContact O-CB 3.39Å; E131-R133 IonicContact OE2-CZ 2.76Å; E131-R133 IonicContact OE2-NE 3.57Å; E131-R133 IonicContact OE2-NH2 3.83Å; E131-R133 PolarHBondContact OE2-NH2 3.13Å; R133-V143 CarbonylContact O-C 3.43Å; R133-V143 WeakPolarHBondContact O-CA 3.33Å; R133-K144 PolarHBondContact N-O 2.74Å; R133-K144 PolarHBondContact O-N 2.77Å
134	V	96.5	Very high	95.2	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.2	-174.9	173.5	0	0	0	0	110.5	K74 M76 Y81 I101 D136 G142 V143	K74-V134 PolarHBondContact N-O 2.84Å; K74-V134 PolarHBondContact O-N 3.02Å; M76-V134 HydrophobicContact CE-CG2 4.36Å; M76-V134 HydrophobicContact CG-CB 4.36Å; M76-V134 HydrophobicContact CG-CG2 3.47Å; M76-V134 VanDerWaalsContact CG-CG2 3.47Å; M76-V134 HydrophobicContact SD-CG2 3.57Å; M76-V134 VanDerWaalsContact SD-CG2 3.57Å; Y81-V134 HydrophobicContact CD1-CG1 4.09Å; Y81-V134 HydrophobicContact CE1-CG1 3.92Å; Y81-V134 HydrophobicContact CG-CG2 4.35Å; I101-V134 HydrophobicContact CD1-CG1 4.1Å; I101-V134 HydrophobicContact CD1-CG2 4.04Å; I101-V134 HydrophobicContact CG2-CG2 4.1Å; V134-D136 HydrophobicContact CG1-CB 4.24Å; V134-G142 CarbonylContact C-O 3.54Å; V134-G142 WeakPolarHBondContact CA-O 3.35Å; V134-V143 HydrophobicContact CG2-CG2 4.47Å
135	L	96.7	Very high	95.3	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.4	165.9	176.1	67	0	0	0	106.9	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD2 3.83Å; R72-L135 HydrophobicContact CB-CD1 3.7Å; F73-L135 HydrophobicContact CD1-CB 3.64Å; F73-L135 HydrophobicContact CE1-CB 3.65Å; F73-L135 HydrophobicContact CE1-CD2 4.38Å; F73-L135 HydrophobicContact CE2-CD2 4.35Å; F73-L135 HydrophobicContact CG-CB 4.16Å; F73-L135 HydrophobicContact CZ-CB 4.17Å; F73-L135 HydrophobicContact CZ-CD2 4.08Å; L135-E137 HydrophobicContact CD1-CG 3.81Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.45Å; L135-E137 HydrophobicContact CG-CG 4.46Å; L135-L140 HydrophobicContact CD2-CB 4.46Å; L135-L140 HydrophobicContact CD2-CD2 3.81Å; L135-L140 HydrophobicContact CD2-CG 4.1Å; L135-L141 CarbonylContact O-C 3.5Å; L135-L141 VanDerWaalsContact O-CA 3.28Å; L135-L141 WeakPolarHBondContact O-CA 3.26Å; L135-L141 WeakPolarHBondContact O-CD1 3.36Å; L135-G142 PolarHBondContact N-O 3.28Å; L135-G142 PolarHBondContact O-N 2.91Å
136	D	96.1	Very high	95.4	Very high	41 Å²	41	49 Å²	49	22%	0.219	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	93.9	177	-174.8	-4.5	0	0	0	109	Y81 V134 L141	Y81-D136 HydrophobicContact CE1-CB 4.41Å; Y81-D136 PolarHBondContact OH-OD2 3.32Å; V134-D136 HydrophobicContact CG1-CB 4.24Å; D136-L141 HydrophobicContact CB-CD1 3.7Å
137	E	95.6	Very high	95.6	Very high	74 Å²	74	41.8 Å²	41.8	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	167.1	-177.4	-66.3	-174	-157.3	0	0	111.4	R72 L135 E139 L140	R72-E137 IonicContact CZ-OE1 3.18Å; R72-E137 IonicContact CZ-OE2 2.62Å; R72-E137 IonicContact NE-OE1 2.67Å; R72-E137 PolarHBondContact NE-OE1 3.19Å; R72-E137 IonicContact NE-OE2 3.51Å; R72-E137 IonicContact NH2-OE1 3.01Å; R72-E137 PolarHBondContact NH2-OE1 2.97Å; R72-E137 IonicContact NH2-OE2 3.81Å; R72-E137 PolarHBondContact NH2-OE2 2.93Å; L135-E137 HydrophobicContact CD1-CG 3.81Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.45Å; L135-E137 HydrophobicContact CG-CG 4.46Å; E137-E139 PolarHBondContact O-N 2.99Å; E137-E139 VanDerWaalsContact O-N 3.1Å; E137-L140 PolarHBondContact N-O 2.68Å; E137-L140 PolarHBondContact O-N 3.03Å
138	K	94.1	Very high	95.7	Very high	147 Å²	147	41.6 Å²	41.6	64%	0.639	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.4	-175.9	-171.7	-178.8	176.5	-169.3	0	114.6	F87	F87-K138 VanDerWaalsContact CD1-O 3.31Å; F87-K138 WeakPolarHBondContact CD1-O 3.38Å
139	E	93.9	Very high	95.8	Very high	146 Å²	146	35.8 Å²	35.8	68%	0.682	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.4	6.7	-174.6	-62.3	-173.3	167	0	0	112.8	E137 P166	E137-E139 PolarHBondContact O-N 2.99Å; E137-E139 VanDerWaalsContact O-N 3.1Å; E139-P166 HydrophobicContact CB-CG 4.37Å; E139-P166 WeakPolarHBondContact O-CD 3.33Å; E139-P166 WeakPolarHBondContact O-CG 3.41Å
140	L	96.6	Very high	95.8	Very high	17 Å²	17	34 Å²	34	9%	0.089	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	129.4	-178.7	-162.1	59.3	0	0	0	111.3	V68 L135 E137 L163	V68-L140 HydrophobicContact CG1-CD2 4.5Å; V68-L140 HydrophobicContact CG2-CD2 3.51Å; L135-L140 HydrophobicContact CD2-CB 4.46Å; L135-L140 HydrophobicContact CD2-CD2 3.81Å; L135-L140 HydrophobicContact CD2-CG 4.1Å; E137-L140 PolarHBondContact N-O 2.68Å; E137-L140 PolarHBondContact O-N 3.03Å; L140-L163 HydrophobicContact CD1-CB 4.36Å; L140-L163 HydrophobicContact CD2-CD2 4.36Å; L140-L163 HydrophobicContact CG-CD2 4.49Å
141	L	97.3	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.1	165.2	-175.2	76.4	0	0	0	108.3	A83 F87 I99 L135 D136 L163 I164	A83-L141 HydrophobicContact CB-CD1 3.78Å; A83-L141 HydrophobicContact CB-CD2 4.02Å; F87-L141 HydrophobicContact CE1-CB 4.38Å; F87-L141 HydrophobicContact CZ-CB 4.06Å; I99-L141 HydrophobicContact CB-CD2 4.35Å; I99-L141 HydrophobicContact CD1-CD2 3.51Å; I99-L141 HydrophobicContact CG1-CD2 4.47Å; L135-L141 CarbonylContact O-C 3.5Å; L135-L141 VanDerWaalsContact O-CA 3.28Å; L135-L141 WeakPolarHBondContact O-CA 3.26Å; L135-L141 WeakPolarHBondContact O-CD1 3.36Å; D136-L141 HydrophobicContact CB-CD1 3.7Å; L141-L163 CarbonylContact O-C 3.49Å; L141-L163 WeakPolarHBondContact O-CA 3.32Å; L141-I164 HydrophobicContact CB-CB 4.34Å; L141-I164 HydrophobicContact CD2-CD1 3.95Å; L141-I164 PolarHBondContact N-O 2.84Å; L141-I164 VanDerWaalsContact N-O 3.11Å; L141-I164 PolarHBondContact O-N 2.85Å
142	G	96.5	Very high	95.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	158.3	178.7	0	0	0	0	0	114.8	V134 L135 S162	V134-G142 CarbonylContact C-O 3.54Å; V134-G142 WeakPolarHBondContact CA-O 3.35Å; L135-G142 PolarHBondContact N-O 3.28Å; L135-G142 PolarHBondContact O-N 2.91Å; G142-S162 CarbonylContact C-O 3.58Å; G142-S162 WeakPolarHBondContact CA-O 3.44Å
143	V	96.5	Very high	95.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.1	178.6	-175.4	0	0	0	0	108.4	I101 N108 R133 V134 T161 S162	I101-V143 HydrophobicContact CB-CG2 4.41Å; I101-V143 HydrophobicContact CD1-CG2 3.76Å; I101-V143 HydrophobicContact CG1-CG2 4.14Å; I101-V143 HydrophobicContact CG2-CB 4.42Å; I101-V143 HydrophobicContact CG2-CG1 4.05Å; I101-V143 HydrophobicContact CG2-CG2 3.45Å; I101-V143 VanDerWaalsContact CG2-CG2 3.45Å; N108-V143 WeakPolarHBondContact OD1-CG2 2.92Å; R133-V143 CarbonylContact O-C 3.43Å; R133-V143 WeakPolarHBondContact O-CA 3.33Å; V134-V143 HydrophobicContact CG2-CG2 4.47Å; V143-T161 CarbonylContact O-C 3.5Å; V143-T161 VanDerWaalsContact O-CA 3.28Å; V143-T161 WeakPolarHBondContact O-CA 3.18Å; V143-S162 PolarHBondContact N-O 2.65Å; V143-S162 PolarHBondContact O-N 2.76Å
144	K	96.4	Very high	95.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.8	172.9	174.8	171.7	-77.2	163.8	0	108.6	S70 F73 S132 R133 T159 M160 T161	S70-K144 PolarHBondContact OG-NZ 2.8Å; F73-K144 HydrophobicContact CD1-CB 3.71Å; F73-K144 HydrophobicContact CE1-CB 3.86Å; F73-K144 HydrophobicContact CG-CB 4.1Å; F73-K144 HydrophobicContact CZ-CB 4.36Å; S132-K144 CarbonylContact C-O 3.6Å; S132-K144 WeakPolarHBondContact CA-O 3.41Å; R133-K144 PolarHBondContact N-O 2.74Å; R133-K144 PolarHBondContact O-N 2.77Å; K144-T159 HydrophobicContact CD-CG2 4.25Å; K144-T159 HydrophobicContact CG-CG2 3.99Å; K144-M160 WeakPolarHBondContact CA-O 3.18Å; K144-T161 HydrophobicContact CB-CG2 4.37Å; K144-T161 WeakPolarHBondContact CE-OG1 3.24Å
145	T	96.2	Very high	95.1	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.1	-178.6	-54.6	0	0	0	0	109.9	G106 S132 F147 T159 M160	G106-T145 WeakPolarHBondContact CA-OG1 3.44Å; S132-T145 WeakPolarHBondContact OG-CG2 3.33Å; S132-T145 PolarHBondContact OG-OG1 2.9Å; T145-F147 HydrophobicContact CG2-CD1 4.22Å; T145-F147 HydrophobicContact CG2-CD2 4.09Å; T145-F147 HydrophobicContact CG2-CE1 3.7Å; T145-F147 HydrophobicContact CG2-CE2 3.57Å; T145-F147 HydrophobicContact CG2-CG 4.4Å; T145-F147 HydrophobicContact CG2-CZ 3.35Å; T145-T159 WeakPolarHBondContact O-CA 3.39Å; T145-M160 PolarHBondContact N-O 3.03Å; T145-M160 PolarHBondContact O-N 3.27Å
146	N	96	Very high	95.1	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.9	168.9	-56.1	-69.4	0	0	0	108.5	S130 E131 A158 T159	S130-N146 CarbonylContact C-O 3.54Å; S130-N146 WeakPolarHBondContact CA-O 3.5Å; E131-N146 PolarHBondContact N-O 2.98Å; E131-N146 PolarHBondContact O-N 3.37Å; N146-A158 CarbonylContact C-O 3.46Å; N146-A158 WeakPolarHBondContact CA-O 3.47Å; N146-T159 WeakPolarHBondContact OD1-CB 3.05Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.26Å; N146-T159 PolarHBondContact OD1-OG1 2.83Å
147	F	96.6	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.8	175.7	-60.2	-85.2	0	0	0	109.4	I124 F127 T145 I149 T157 A158 M160	I124-F147 HydrophobicContact CB-CG 4.4Å; I124-F147 HydrophobicContact CD1-CB 4.31Å; I124-F147 HydrophobicContact CD1-CD2 4.05Å; I124-F147 HydrophobicContact CD1-CG 4.3Å; I124-F147 HydrophobicContact CG1-CD2 4.31Å; F127-F147 HydrophobicContact CB-CB 4.39Å; F127-F147 HydrophobicContact CB-CD1 4.12Å; F127-F147 HydrophobicContact CD1-CD1 4.28Å; F127-F147 HydrophobicContact CD2-CD1 4.08Å; F127-F147 AromaticContact CG-CD1 3.9Å; F127-F147 HydrophobicContact CG-CD1 3.9Å; T145-F147 HydrophobicContact CG2-CD1 4.22Å; T145-F147 HydrophobicContact CG2-CD2 4.09Å; T145-F147 HydrophobicContact CG2-CE1 3.7Å; T145-F147 HydrophobicContact CG2-CE2 3.57Å; T145-F147 HydrophobicContact CG2-CG 4.4Å; T145-F147 HydrophobicContact CG2-CZ 3.35Å; F147-I149 HydrophobicContact CB-CD1 3.97Å; F147-I149 HydrophobicContact CB-CG1 4.01Å; F147-T157 CarbonylContact O-C 3.51Å; F147-T157 WeakPolarHBondContact O-CA 3.27Å; F147-A158 HydrophobicContact CB-CB 4.46Å; F147-A158 PolarHBondContact N-O 2.92Å; F147-A158 PolarHBondContact O-N 2.67Å; F147-M160 HydrophobicContact CE2-CB 4.32Å; F147-M160 HydrophobicContact CE2-CG 4.18Å; F147-M160 HydrophobicContact CE2-SD 4.03Å
148	S	96.4	Very high	95.2	Very high	46 Å²	46	47.4 Å²	47.4	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.8	164.2	-65.6	0	0	0	0	108.1	E128 N129	E128-S148 PolarHBondContact N-O 2.69Å; N129-S148 PolarHBondContact N-O 3.43Å; N129-S148 PolarHBondContact O-N 3.09Å
149	I	95.4	Very high	95.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.4	-168.8	-57.1	152.3	0	0	0	108.7	I124 F127 F147 V151 V156 A158 I181	I124-I149 HydrophobicContact CB-CD1 4.45Å; I124-I149 HydrophobicContact CD1-CD1 3.48Å; I124-I149 VanDerWaalsContact CD1-CD1 3.48Å; I124-I149 HydrophobicContact CG2-CD1 3.87Å; I124-I149 HydrophobicContact CG2-CG1 4.16Å; F127-I149 HydrophobicContact CB-CG1 4.18Å; F147-I149 HydrophobicContact CB-CD1 3.97Å; F147-I149 HydrophobicContact CB-CG1 4.01Å; I149-V151 HydrophobicContact CG2-CG2 3.81Å; I149-V156 HydrophobicContact CB-CG2 4.11Å; I149-V156 PolarHBondContact N-O 2.7Å; I149-V156 WeakPolarHBondContact O-CG2 3.07Å; I149-V156 PolarHBondContact O-N 2.81Å; I149-V156 VanDerWaalsContact O-O 3.13Å; I149-A158 HydrophobicContact CD1-CB 3.64Å; I149-I181 HydrophobicContact CD1-CD1 4.11Å; I149-I181 HydrophobicContact CG2-CD1 4.44Å
150	N	94.6	Very high	95.5	Very high	54 Å²	54	34.4 Å²	34.4	29%	0.289	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.9	165.2	-167.1	-82.8	0	0	0	109.8	E128 G153 L154 D155 R185	E128-N150 HydrophobicContact CG-CB 4.34Å; E128-N150 WeakPolarHBondContact OE1-CB 3.49Å; N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 3.27Å; N150-L154 WeakPolarHBondContact CA-O 3.37Å; N150-D155 PolarHBondContact ND2-OD1 3.28Å; N150-R185 PolarHBondContact O-NH1 2.96Å
151	V	92.7	Very high	95.5	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.7	173.6	-176.9	0	0	0	0	108	I149 G153 L154 V156 E180 I181	I149-V151 HydrophobicContact CG2-CG2 3.81Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.16Å; V151-L154 PolarHBondContact N-O 2.88Å; V151-L154 WeakPolarHBondContact O-CB 3.35Å; V151-L154 PolarHBondContact O-N 3.31Å; V151-V156 HydrophobicContact CG2-CG2 3.78Å; V151-E180 HydrophobicContact CG1-CB 3.92Å; V151-E180 WeakPolarHBondContact CG1-O 3.32Å; V151-I181 HydrophobicContact CG2-CB 4.47Å
152	N	90.3	Very high	95.5	Very high	159 Å²	159	34 Å²	34	85%	0.85	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.2	178.4	-59.8	-34.9	0	0	0	113.7	L154	N152-L154 VanDerWaalsContact C-N 3.33Å
153	G	91.3	Very high	95.6	Very high	62 Å²	62	34 Å²	34	64%	0.639	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	-0.1	-178.2	0	0	0	0	0	115	N150 V151	N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 3.27Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.16Å
154	L	93.5	Very high	95.7	Very high	92 Å²	92	34 Å²	34	48%	0.482	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.5	172.3	-175.7	70.4	0	0	0	110.3	N150 V151 N152 V156	N150-L154 WeakPolarHBondContact CA-O 3.37Å; V151-L154 PolarHBondContact N-O 2.88Å; V151-L154 WeakPolarHBondContact O-CB 3.35Å; V151-L154 PolarHBondContact O-N 3.31Å; N152-L154 VanDerWaalsContact C-N 3.33Å; L154-V156 HydrophobicContact CD2-CG1 3.59Å; L154-V156 HydrophobicContact CG-CG1 3.76Å; L154-V156 PolarHBondContact O-N 3.4Å
155	D	94.9	Very high	95.6	Very high	118 Å²	118	35.8 Å²	35.8	63%	0.631	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	113	172.4	-61.5	-26.1	0	0	0	109.6	N150	N150-D155 PolarHBondContact ND2-OD1 3.28Å
156	V	96.3	Very high	95.5	Very high	21 Å²	21	38.1 Å²	38.1	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.5	177.7	-62.3	0	0	0	0	110.3	I149 V151 L154 P178	I149-V156 HydrophobicContact CB-CG2 4.11Å; I149-V156 PolarHBondContact N-O 2.7Å; I149-V156 WeakPolarHBondContact O-CG2 3.07Å; I149-V156 PolarHBondContact O-N 2.81Å; I149-V156 VanDerWaalsContact O-O 3.13Å; V151-V156 HydrophobicContact CG2-CG2 3.78Å; L154-V156 HydrophobicContact CD2-CG1 3.59Å; L154-V156 HydrophobicContact CG-CG1 3.76Å; L154-V156 PolarHBondContact O-N 3.4Å; V156-P178 HydrophobicContact CB-CB 4.12Å; V156-P178 HydrophobicContact CB-CG 3.76Å; V156-P178 HydrophobicContact CG1-CB 4.49Å; V156-P178 HydrophobicContact CG2-CB 3.9Å; V156-P178 HydrophobicContact CG2-CG 3.59Å
157	T	96.5	Very high	95.3	Very high	75 Å²	75	40.8 Å²	40.8	46%	0.46	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.9	173.8	59.8	0	0	0	0	110.9	F147 N176 P178	F147-T157 CarbonylContact O-C 3.51Å; F147-T157 WeakPolarHBondContact O-CA 3.27Å; T157-N176 PolarHBondContact O-ND2 3Å; T157-P178 WeakPolarHBondContact O-CD 3.35Å; T157-P178 WeakPolarHBondContact O-CG 3.41Å
158	A	97.3	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.9	168.4	0	0	0	0	0	109.8	I124 N146 F147 I149 N176 I177	I124-A158 HydrophobicContact CD1-CB 3.22Å; N146-A158 CarbonylContact C-O 3.46Å; N146-A158 WeakPolarHBondContact CA-O 3.47Å; F147-A158 HydrophobicContact CB-CB 4.46Å; F147-A158 PolarHBondContact N-O 2.92Å; F147-A158 PolarHBondContact O-N 2.67Å; I149-A158 HydrophobicContact CD1-CB 3.64Å; A158-N176 CarbonylContact C-O 3.58Å; A158-N176 WeakPolarHBondContact CA-O 3.08Å; A158-I177 HydrophobicContact CB-CD1 4.39Å
159	T	97.1	Very high	95	Very high	18 Å²	18	40 Å²	40	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.7	-179.6	-57.1	0	0	0	0	108.9	K144 T145 N146 D175 N176	K144-T159 HydrophobicContact CD-CG2 4.25Å; K144-T159 HydrophobicContact CG-CG2 3.99Å; T145-T159 WeakPolarHBondContact O-CA 3.39Å; N146-T159 WeakPolarHBondContact OD1-CB 3.05Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.26Å; N146-T159 PolarHBondContact OD1-OG1 2.83Å; T159-D175 HydrophobicContact CG2-CB 3.73Å; T159-D175 PolarHBondContact O-N 3.2Å; T159-N176 PolarHBondContact N-O 3.28Å; T159-N176 PolarHBondContact O-N 2.93Å
160	M	97.4	Very high	95.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.2	179.5	-57.2	-176.1	159.4	0	0	109.2	S122 I124 K144 T145 F147 Y174 I177 L186 I213	S122-M160 PolarHBondContact OG-SD 2.82Å; I124-M160 HydrophobicContact CD1-CE 3.78Å; I124-M160 HydrophobicContact CD1-SD 4.45Å; I124-M160 HydrophobicContact CG1-CE 3.52Å; I124-M160 HydrophobicContact CG1-SD 4.08Å; K144-M160 WeakPolarHBondContact CA-O 3.18Å; T145-M160 PolarHBondContact N-O 3.03Å; T145-M160 PolarHBondContact O-N 3.27Å; F147-M160 HydrophobicContact CE2-CB 4.32Å; F147-M160 HydrophobicContact CE2-CG 4.18Å; F147-M160 HydrophobicContact CE2-SD 4.03Å; M160-Y174 HydrophobicContact CB-CD1 4.43Å; M160-Y174 HydrophobicContact CE-CD1 4.23Å; M160-Y174 HydrophobicContact CE-CE1 4.4Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.45Å; M160-I177 HydrophobicContact CE-CD1 3.5Å; M160-I177 HydrophobicContact CG-CD1 4.09Å; M160-L186 HydrophobicContact CE-CD2 3.95Å; M160-I213 HydrophobicContact CE-CG2 3.77Å
161	T	97.3	Very high	95.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.9	-179.3	-59	0	0	0	0	110.3	F73 V143 K144 L163 F172 Y173 D175	F73-T161 HydrophobicContact CE1-CG2 4.18Å; F73-T161 HydrophobicContact CZ-CG2 3.78Å; V143-T161 CarbonylContact O-C 3.5Å; V143-T161 VanDerWaalsContact O-CA 3.28Å; V143-T161 WeakPolarHBondContact O-CA 3.18Å; K144-T161 HydrophobicContact CB-CG2 4.37Å; K144-T161 WeakPolarHBondContact CE-OG1 3.24Å; T161-L163 HydrophobicContact CG2-CD2 3.97Å; T161-L163 HydrophobicContact CG2-CG 4.15Å; T161-F172 CarbonylContact O-C 3.44Å; T161-F172 WeakPolarHBondContact O-CA 3.35Å; T161-Y173 PolarHBondContact N-O 3.2Å; T161-Y173 PolarHBondContact O-N 3.37Å; T161-D175 PolarHBondContact OG1-OD2 3.4Å
162	S	97.5	Very high	95.6	Very high	6 Å²	6	37 Å²	37	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.5	171.2	-57.4	0	0	0	0	109.9	G142 V143 S171 F172	G142-S162 CarbonylContact C-O 3.58Å; G142-S162 WeakPolarHBondContact CA-O 3.44Å; V143-S162 PolarHBondContact N-O 2.65Å; V143-S162 PolarHBondContact O-N 2.76Å; S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.36Å; S162-F172 VanDerWaalsContact OG-CD1 3.32Å; S162-F172 WeakPolarHBondContact OG-CD1 3.36Å; S162-F172 WeakPolarHBondContact OG-CE1 3.2Å
163	L	97.6	Very high	96	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	179.3	-59.1	175.1	0	0	0	110.4	P67 V68 F73 L140 L141 T161 V170 S171	P67-L163 HydrophobicContact CB-CD1 4.03Å; P67-L163 HydrophobicContact CG-CD1 3.69Å; V68-L163 HydrophobicContact CG2-CD1 3.74Å; V68-L163 HydrophobicContact CG2-CD2 4.06Å; F73-L163 HydrophobicContact CZ-CD2 4.02Å; L140-L163 HydrophobicContact CD1-CB 4.36Å; L140-L163 HydrophobicContact CD2-CD2 4.36Å; L140-L163 HydrophobicContact CG-CD2 4.49Å; L141-L163 CarbonylContact O-C 3.49Å; L141-L163 WeakPolarHBondContact O-CA 3.32Å; T161-L163 HydrophobicContact CG2-CD2 3.97Å; T161-L163 HydrophobicContact CG2-CG 4.15Å; L163-V170 CarbonylContact O-C 3.54Å; L163-V170 WeakPolarHBondContact O-CA 3.08Å; L163-S171 PolarHBondContact N-O 3.18Å; L163-S171 PolarHBondContact O-N 3.43Å
164	I	97.7	Very high	96.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	177.6	-60.4	155.4	0	0	0	107.7	F87 F89 I99 F110 I120 L141	F87-I164 HydrophobicContact CE2-CG2 4.21Å; F87-I164 HydrophobicContact CZ-CG2 4.34Å; F87-I164 WeakPolarHBondContact CZ-O 3.21Å; F89-I164 HydrophobicContact CE1-CG2 4Å; F89-I164 HydrophobicContact CE2-CG2 3.87Å; F89-I164 HydrophobicContact CZ-CG2 3.55Å; I99-I164 HydrophobicContact CD1-CD1 3.86Å; F110-I164 HydrophobicContact CE1-CD1 4.43Å; F110-I164 HydrophobicContact CE2-CD1 4.06Å; F110-I164 HydrophobicContact CZ-CD1 3.51Å; F110-I164 HydrophobicContact CZ-CG1 4.07Å; I120-I164 HydrophobicContact CD1-CD1 3.87Å; I120-I164 HydrophobicContact CD1-CG1 3.79Å; L141-I164 HydrophobicContact CB-CB 4.34Å; L141-I164 HydrophobicContact CD2-CD1 3.95Å; L141-I164 PolarHBondContact N-O 2.84Å; L141-I164 VanDerWaalsContact N-O 3.11Å; L141-I164 PolarHBondContact O-N 2.85Å
165	H	96.1	Very high	96.5	Very high	41 Å²	41	24.7 Å²	24.7	19%	0.19	14%	0.136	C	C	.	.			trans	-100.1	159.2	-174.2	-61	-99.1	0	0	0	111.7	N167 G168 K169 S171	H165-N167 WeakPolarHBondContact CB-OD1 3.43Å; H165-N167 PolarHBondContact O-N 3.36Å; H165-N167 VanDerWaalsContact O-N 3.11Å; H165-G168 PolarHBondContact O-N 2.89Å; H165-K169 HydrophobicContact CB-CB 4.16Å; H165-K169 PolarHBondContact CD2-O 3.31Å; H165-K169 PolarHBondContact N-O 2.59Å; H165-S171 PolarHBondContact NE2-OG 3.46Å; H165-S171 VanDerWaalsContact NE2-OG 3.09Å
166	P	94.2	Very high	96.6	Very high	54 Å²	54	22 Å²	22	35%	0.351	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	-179.6	-29	37.1	0	0	0	115.6	F87 E139 G168	F87-P166 HydrophobicContact CB-CB 4.04Å; F87-P166 HydrophobicContact CB-CG 4.31Å; F87-P166 HydrophobicContact CD1-CG 4.23Å; F87-P166 VanDerWaalsContact CD2-CA 3.48Å; F87-P166 HydrophobicContact CD2-CB 4.16Å; F87-P166 HydrophobicContact CD2-CG 4.37Å; F87-P166 HydrophobicContact CG-CB 4.07Å; F87-P166 HydrophobicContact CG-CG 4.05Å; E139-P166 HydrophobicContact CB-CG 4.37Å; E139-P166 WeakPolarHBondContact O-CD 3.33Å; E139-P166 WeakPolarHBondContact O-CG 3.41Å; P166-G168 PolarHBondContact O-N 3.1Å
167	N	90.4	Very high	96.6	Very high	92 Å²	92	21.5 Å²	21.5	49%	0.492	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.3	176.3	66.1	-5.1	0	0	0	113.4	H165 K169	H165-N167 WeakPolarHBondContact CB-OD1 3.43Å; H165-N167 PolarHBondContact O-N 3.36Å; H165-N167 VanDerWaalsContact O-N 3.11Å; N167-K169 VanDerWaalsContact C-N 3.3Å; N167-K169 WeakPolarHBondContact OD1-CB 3.33Å; N167-K169 PolarHBondContact OD1-N 3.07Å
168	G	93.2	Very high	96.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	80.4	6.5	-175.7	0	0	0	0	0	114.6	H165 P166	H165-G168 PolarHBondContact O-N 2.89Å; P166-G168 PolarHBondContact O-N 3.1Å
169	K	94.9	Very high	96.5	Very high	27 Å²	27	25 Å²	25	12%	0.117	14%	0.14	C	C	.	.			trans	-63.4	136.7	169.4	-178.8	171	67.1	170.4	0	109.3	H165 N167 E220 F221 E222	H165-K169 HydrophobicContact CB-CB 4.16Å; H165-K169 PolarHBondContact CD2-O 3.31Å; H165-K169 PolarHBondContact N-O 2.59Å; N167-K169 VanDerWaalsContact C-N 3.3Å; N167-K169 WeakPolarHBondContact OD1-CB 3.33Å; N167-K169 PolarHBondContact OD1-N 3.07Å; K169-E220 HydrophobicContact CD-CB 4.27Å; K169-E220 HydrophobicContact CD-CG 4.48Å; K169-E220 WeakPolarHBondContact CE-OE1 3.49Å; K169-E220 IonicContact NZ-OE1 3.61Å; K169-E220 PolarHBondContact NZ-OE1 2.86Å; K169-F221 WeakPolarHBondContact CA-O 3.12Å; K169-F221 WeakPolarHBondContact CG-O 3.31Å; K169-E222 HydrophobicContact CB-CG 4.41Å; K169-E222 HydrophobicContact CD-CG 3.83Å; K169-E222 HydrophobicContact CG-CG 3.97Å
170	V	97.5	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	171.8	176.5	0	0	0	0	107.9	F91 I120 L163 F172 I190 E220 F221	F91-V170 HydrophobicContact CE2-CG2 4.24Å; I120-V170 HydrophobicContact CB-CG1 4.39Å; I120-V170 HydrophobicContact CD1-CG1 3.72Å; I120-V170 HydrophobicContact CG2-CG1 4.05Å; I120-V170 HydrophobicContact CG2-CG2 4.21Å; L163-V170 CarbonylContact O-C 3.54Å; L163-V170 WeakPolarHBondContact O-CA 3.08Å; V170-F172 HydrophobicContact CG1-CE1 4.09Å; V170-F172 HydrophobicContact CG1-CZ 4.37Å; V170-I190 HydrophobicContact CG1-CG2 4.18Å; V170-E220 CarbonylContact O-C 3.54Å; V170-E220 WeakPolarHBondContact O-CA 3.44Å; V170-F221 HydrophobicContact CB-CB 4.32Å; V170-F221 HydrophobicContact CB-CD2 4.39Å; V170-F221 HydrophobicContact CG1-CD2 4.36Å; V170-F221 PolarHBondContact N-O 2.74Å; V170-F221 PolarHBondContact O-N 3.03Å
171	S	98.1	Very high	96.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.6	175.1	-49.3	0	0	0	0	111.3	S162 L163 H165 V219	S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.36Å; L163-S171 PolarHBondContact N-O 3.18Å; L163-S171 PolarHBondContact O-N 3.43Å; H165-S171 PolarHBondContact NE2-OG 3.46Å; H165-S171 VanDerWaalsContact NE2-OG 3.09Å; S171-V219 CarbonylContact C-O 3.58Å; S171-V219 WeakPolarHBondContact CA-O 3.43Å
172	F	98.5	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.4	163.7	-57	-40.8	0	0	0	109.2	I120 D121 T161 S162 V170 Y174 E189 I190 V208 L218 V219 F221	I120-F172 HydrophobicContact CB-CE1 4.22Å; I120-F172 HydrophobicContact CB-CZ 4.1Å; I120-F172 HydrophobicContact CD1-CE1 4.3Å; D121-F172 WeakPolarHBondContact O-CZ 3.39Å; T161-F172 CarbonylContact O-C 3.44Å; T161-F172 WeakPolarHBondContact O-CA 3.35Å; S162-F172 VanDerWaalsContact OG-CD1 3.32Å; S162-F172 WeakPolarHBondContact OG-CD1 3.36Å; S162-F172 WeakPolarHBondContact OG-CE1 3.2Å; V170-F172 HydrophobicContact CG1-CE1 4.09Å; V170-F172 HydrophobicContact CG1-CZ 4.37Å; F172-Y174 HydrophobicContact CB-CE1 4.31Å; F172-E189 WeakPolarHBondContact CZ-O 3.28Å; F172-I190 HydrophobicContact CE2-CG2 4.22Å; F172-I190 HydrophobicContact CZ-CG2 3.93Å; F172-V208 HydrophobicContact CD2-CG2 4.02Å; F172-V208 HydrophobicContact CE2-CG2 4.42Å; F172-L218 CarbonylContact O-C 3.57Å; F172-L218 WeakPolarHBondContact O-CA 3.33Å; F172-V219 HydrophobicContact CB-CB 4.25Å; F172-V219 PolarHBondContact N-O 3.16Å; F172-V219 PolarHBondContact O-N 3.01Å; F172-F221 AromaticContact CD2-CE2 3.64Å; F172-F221 HydrophobicContact CD2-CE2 3.64Å; F172-F221 HydrophobicContact CD2-CZ 4.42Å; F172-F221 HydrophobicContact CE2-CD2 4.4Å; F172-F221 AromaticContact CE2-CE2 3.5Å; F172-F221 HydrophobicContact CE2-CE2 3.5Å; F172-F221 VanDerWaalsContact CE2-CE2 3.5Å; F172-F221 HydrophobicContact CE2-CZ 4.18Å; F172-F221 HydrophobicContact CZ-CE2 4.35Å
173	Y	98.5	Very high	96	Very high	18 Å²	18	39.7 Å²	39.7	7%	0.071	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	173.4	-178.3	-99.8	0	0	0	109.3	Q64 P65 Q66 P67 T161 D175 T217 L218	Q64-Y173 HydrophobicContact CB-CE2 4.35Å; Q64-Y173 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y173 PolarHBondContact O-OH 3.47Å; Q64-Y173 VanDerWaalsContact O-OH 3.05Å; P65-Y173 WeakPolarHBondContact O-CE2 3.48Å; Q66-Y173 HydrophobicContact CB-CE1 3.99Å; Q66-Y173 HydrophobicContact CG-CD1 4.46Å; Q66-Y173 HydrophobicContact CG-CE1 4.09Å; Q66-Y173 PolarHBondContact N-OH 2.93Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CD1 4.5Å; P67-Y173 HydrophobicContact CG-CD2 4.38Å; P67-Y173 HydrophobicContact CG-CG 4.03Å; T161-Y173 PolarHBondContact N-O 3.2Å; T161-Y173 PolarHBondContact O-N 3.37Å; Y173-D175 HydrophobicContact CD1-CB 4.37Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.45Å; Y173-D175 HydrophobicContact CE1-CB 4.1Å; Y173-D175 VanDerWaalsContact CE1-OD1 3.3Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.37Å; Y173-T217 WeakPolarHBondContact CA-O 3.37Å; Y173-L218 HydrophobicContact CD2-CB 4.17Å; Y173-L218 HydrophobicContact CD2-CD1 4.24Å
174	Y	98.4	Very high	95.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	96.9	-179.4	-49	-67.5	0	0	0	109.1	M160 F172 I177 S188 I213 S215 G216 T217 V219	M160-Y174 HydrophobicContact CB-CD1 4.43Å; M160-Y174 HydrophobicContact CE-CD1 4.23Å; M160-Y174 HydrophobicContact CE-CE1 4.4Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.45Å; F172-Y174 HydrophobicContact CB-CE1 4.31Å; Y174-I177 HydrophobicContact CD1-CD1 4.27Å; Y174-I177 HydrophobicContact CG-CD1 4.44Å; Y174-I177 HydrophobicContact CG-CG1 4.36Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.36Å; Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 2.87Å; Y174-I213 HydrophobicContact CD1-CG2 3.75Å; Y174-I213 HydrophobicContact CD2-CG2 4.29Å; Y174-I213 HydrophobicContact CE1-CB 4.47Å; Y174-I213 HydrophobicContact CE1-CG1 4.37Å; Y174-I213 HydrophobicContact CE1-CG2 3.65Å; Y174-I213 HydrophobicContact CE2-CB 4.27Å; Y174-I213 HydrophobicContact CE2-CG1 4.13Å; Y174-I213 HydrophobicContact CE2-CG2 4.18Å; Y174-I213 HydrophobicContact CG-CG2 4.07Å; Y174-S215 CarbonylContact O-C 3.43Å; Y174-S215 WeakPolarHBondContact O-CA 3.5Å; Y174-G216 PolarHBondContact O-N 3.08Å; Y174-T217 WeakPolarHBondContact CD2-O 3.46Å; Y174-T217 PolarHBondContact N-O 2.88Å; Y174-T217 VanDerWaalsContact N-O 3.09Å; Y174-V219 HydrophobicContact CE2-CG2 3.83Å
175	D	96.7	Very high	95.8	Very high	37 Å²	37	44.1 Å²	44.1	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-43.9	-177	-61.4	-98.1	0	0	0	111.7	Q66 T159 T161 Y173	Q66-D175 PolarHBondContact NE2-OD1 2.81Å; T159-D175 HydrophobicContact CG2-CB 3.73Å; T159-D175 PolarHBondContact O-N 3.2Å; T161-D175 PolarHBondContact OG1-OD2 3.4Å; Y173-D175 HydrophobicContact CD1-CB 4.37Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.45Å; Y173-D175 HydrophobicContact CE1-CB 4.1Å; Y173-D175 VanDerWaalsContact CE1-OD1 3.3Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.37Å
176	N	96.8	Very high	95.9	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	118.9	-179.8	179.7	43.5	0	0	0	109.6	T157 A158 T159	T157-N176 PolarHBondContact O-ND2 3Å; A158-N176 CarbonylContact C-O 3.58Å; A158-N176 WeakPolarHBondContact CA-O 3.08Å; T159-N176 PolarHBondContact N-O 3.28Å; T159-N176 PolarHBondContact O-N 2.93Å
177	I	97.7	Very high	96	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.051	22%	0.224	C	C	.	.			trans	-127	115.2	173.1	-54.5	-65.5	0	0	0	107	A158 M160 Y174 I181 L186 I213 S215	A158-I177 HydrophobicContact CB-CD1 4.39Å; M160-I177 HydrophobicContact CE-CD1 3.5Å; M160-I177 HydrophobicContact CG-CD1 4.09Å; Y174-I177 HydrophobicContact CD1-CD1 4.27Å; Y174-I177 HydrophobicContact CG-CD1 4.44Å; Y174-I177 HydrophobicContact CG-CG1 4.36Å; I177-I181 HydrophobicContact CG2-CG2 4.06Å; I177-L186 HydrophobicContact CG2-CD1 3.97Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I177-I213 HydrophobicContact CD1-CG2 4.16Å; I177-I213 HydrophobicContact CG1-CG2 4.36Å; I177-S215 PolarHBondContact N-OG 2.88Å; I177-S215 PolarHBondContact O-OG 3.02Å
178	P	96.2	Very high	96.3	Very high	15 Å²	15	38.3 Å²	38.3	10%	0.097	20%	0.201	C	C	.	.			trans	-54.8	140.8	174.8	-25.8	35	0	0	0	111	V156 T157 E180 I181	V156-P178 HydrophobicContact CB-CB 4.12Å; V156-P178 HydrophobicContact CB-CG 3.76Å; V156-P178 HydrophobicContact CG1-CB 4.49Å; V156-P178 HydrophobicContact CG2-CB 3.9Å; V156-P178 HydrophobicContact CG2-CG 3.59Å; T157-P178 WeakPolarHBondContact O-CD 3.35Å; T157-P178 WeakPolarHBondContact O-CG 3.41Å; P178-E180 WeakPolarHBondContact CB-OE2 3.39Å; P178-E180 PolarHBondContact O-N 3.47Å; P178-I181 WeakPolarHBondContact O-CG2 3.43Å
179	T	94.9	Very high	96.5	Very high	133 Å²	133	39.7 Å²	39.7	82%	0.816	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.7	178.9	45.5	0	0	0	0	113.2
180	E	92.8	Very high	96.5	Very high	97 Å²	97	38.4 Å²	38.4	45%	0.453	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.2	-177.2	-58.8	80.6	-179.8	0	0	112.5	V151 P178	V151-E180 HydrophobicContact CG1-CB 3.92Å; V151-E180 WeakPolarHBondContact CG1-O 3.32Å; P178-E180 WeakPolarHBondContact CB-OE2 3.39Å; P178-E180 PolarHBondContact O-N 3.47Å
181	I	95.1	Very high	96.4	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	-74.2	135.6	-178.1	-163.2	169.7	0	0	0	111.1	I124 I149 V151 I177 P178 R185 L186	I124-I181 HydrophobicContact CD1-CD1 4.27Å; I124-I181 HydrophobicContact CG2-CD1 3.58Å; I149-I181 HydrophobicContact CD1-CD1 4.11Å; I149-I181 HydrophobicContact CG2-CD1 4.44Å; V151-I181 HydrophobicContact CG2-CB 4.47Å; I177-I181 HydrophobicContact CG2-CG2 4.06Å; P178-I181 WeakPolarHBondContact O-CG2 3.43Å; I181-R185 HydrophobicContact CD1-CB 4.12Å; I181-R185 HydrophobicContact CG1-CB 4.07Å; I181-L186 HydrophobicContact CD1-CD2 3.95Å; I181-L186 HydrophobicContact CG2-CD1 3.96Å; I181-L186 HydrophobicContact CG2-CD2 3.87Å; I181-L186 HydrophobicContact CG2-CG 4.07Å
182	E	95.3	Very high	96.1	Very high	128 Å²	128	39.2 Å²	39.2	60%	0.598	21%	0.207	S	C	*	.			trans	-68.8	138.8	175.7	-61.9	-176.4	178.2	0	0	111.5	S184 R185	E182-S184 PolarHBondContact O-N 3.44Å; E182-S184 VanDerWaalsContact O-N 3.14Å; E182-S184 PolarHBondContact OE2-OG 2.83Å; E182-R185 HydrophobicContact CB-CG 4.46Å; E182-R185 WeakPolarHBondContact O-CB 3.11Å; E182-R185 PolarHBondContact O-N 2.83Å
183	E	96.3	Very high	95.7	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-56.6	-31.5	179.2	-71.9	-169.9	-176.6	0	0	112.8	R185 L186 A210 K211	E183-R185 PolarHBondContact O-N 2.67Å; E183-R185 VanDerWaalsContact O-N 3.14Å; E183-L186 PolarHBondContact O-N 3.02Å; E183-A210 HydrophobicContact CB-CB 3.78Å; E183-A210 HydrophobicContact CG-CB 4.39Å; E183-A210 WeakPolarHBondContact O-CB 3.5Å; E183-K211 WeakPolarHBondContact OE1-CA 3.44Å; E183-K211 PolarHBondContact OE2-N 2.96Å
184	S	95.9	Very high	95.1	Very high	77 Å²	77	40.8 Å²	40.8	54%	0.538	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59.4	-23.3	177.2	59.7	0	0	0	0	113.9	E182	E182-S184 PolarHBondContact O-N 3.44Å; E182-S184 VanDerWaalsContact O-N 3.14Å; E182-S184 PolarHBondContact OE2-OG 2.83Å
185	R	95.6	Very high	94.3	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.075	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-89	-17.5	179.6	-61.1	179.1	58.5	174.4	3.8	113	I124 K125 E126 N150 I181 E182 E183	I124-R185 CarbonylContact C-O 3.57Å; I124-R185 VanDerWaalsContact CA-O 3.31Å; I124-R185 WeakPolarHBondContact CA-O 3.49Å; K125-R185 HydrophobicContact CB-CB 4.36Å; K125-R185 PolarHBondContact N-O 2.89Å; K125-R185 PolarHBondContact O-NE 2.98Å; K125-R185 PolarHBondContact O-NH2 2.78Å; E126-R185 VanDerWaalsContact C-NH2 3.27Å; E126-R185 PolarHBondContact O-NH2 2.97Å; E126-R185 IonicContact OE2-NE 3.66Å; N150-R185 PolarHBondContact O-NH1 2.96Å; I181-R185 HydrophobicContact CD1-CB 4.12Å; I181-R185 HydrophobicContact CG1-CB 4.07Å; E182-R185 HydrophobicContact CB-CG 4.46Å; E182-R185 WeakPolarHBondContact O-CB 3.11Å; E182-R185 PolarHBondContact O-N 2.83Å; E183-R185 PolarHBondContact O-N 2.67Å; E183-R185 VanDerWaalsContact O-N 3.14Å
186	L	97	Very high	93.7	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.1	-177.3	-61.4	174.9	0	0	0	109.5	I124 M160 I177 I181 E183 I213	I124-L186 HydrophobicContact CD1-CD2 4.11Å; I124-L186 HydrophobicContact CG1-CD2 3.98Å; M160-L186 HydrophobicContact CE-CD2 3.95Å; I177-L186 HydrophobicContact CG2-CD1 3.97Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I181-L186 HydrophobicContact CD1-CD2 3.95Å; I181-L186 HydrophobicContact CG2-CD1 3.96Å; I181-L186 HydrophobicContact CG2-CD2 3.87Å; I181-L186 HydrophobicContact CG2-CG 4.07Å; E183-L186 PolarHBondContact O-N 3.02Å; L186-I213 HydrophobicContact CB-CB 4.14Å; L186-I213 HydrophobicContact CB-CD1 3.96Å; L186-I213 HydrophobicContact CB-CG2 4.01Å; L186-I213 HydrophobicContact CD1-CB 4.07Å; L186-I213 HydrophobicContact CD1-CG2 4.05Å; L186-I213 HydrophobicContact CD2-CG2 4.2Å; L186-I213 HydrophobicContact CG-CG2 4.32Å
187	Q	96.1	Very high	92.9	Very high	53 Å²	53	53.8 Å²	53.8	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.2	177.5	-67.5	-163.1	-43.3	0	0	111.4	Y123	Y123-Q187 HydrophobicContact CD1-CB 4.04Å; Y123-Q187 HydrophobicContact CE1-CB 3.68Å; Y123-Q187 PolarHBondContact N-O 3.5Å; Y123-Q187 PolarHBondContact O-N 2.78Å; Y123-Q187 PolarHBondContact OH-OE1 3.14Å
188	S	97.5	Very high	92.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	130.4	170.1	-62.4	0	0	0	0	108.4	D121 S122 Y174 S207 V208	D121-S188 CarbonylContact O-C 3.56Å; D121-S188 WeakPolarHBondContact O-CA 3.37Å; S122-S188 WeakPolarHBondContact CA-OG 3.36Å; S122-S188 WeakPolarHBondContact CB-OG 3.41Å; S122-S188 PolarHBondContact OG-OG 3.19Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.36Å; Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 2.87Å; S188-S207 CarbonylContact O-C 3.54Å; S188-S207 WeakPolarHBondContact O-CA 3.4Å; S188-V208 PolarHBondContact O-N 2.83Å
189	E	96.1	Very high	91.1	Very high	31 Å²	31	64.7 Å²	64.7	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156.2	-169.6	64.6	-170.8	-135.1	0	0	111.9	D121 F172 E205 I206	D121-E189 HydrophobicContact CB-CG 4.25Å; D121-E189 PolarHBondContact N-O 3.02Å; D121-E189 PolarHBondContact O-N 3.47Å; F172-E189 WeakPolarHBondContact CZ-O 3.28Å; E189-E205 HydrophobicContact CB-CG 4.11Å; E189-E205 HydrophobicContact CG-CG 4.42Å; E189-I206 VanDerWaalsContact CA-O 3.25Å; E189-I206 WeakPolarHBondContact CA-O 3.1Å
190	I	96.2	Very high	90.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.3	163.7	66.1	166.6	0	0	0	108.8	Y56 F91 Y92 I120 V170 F172 E205 I206 F221	Y56-I190 HydrophobicContact CD1-CD1 3.85Å; Y56-I190 HydrophobicContact CD2-CD1 4.17Å; Y56-I190 HydrophobicContact CE1-CD1 4.09Å; Y56-I190 HydrophobicContact CE2-CD1 4.42Å; Y56-I190 HydrophobicContact CG-CD1 3.9Å; F91-I190 HydrophobicContact CZ-CB 4.25Å; Y92-I190 HydrophobicContact CE2-CD1 4.5Å; I120-I190 HydrophobicContact CB-CG2 4.11Å; I120-I190 HydrophobicContact CG2-CB 4.18Å; I120-I190 HydrophobicContact CG2-CG2 3.62Å; V170-I190 HydrophobicContact CG1-CG2 4.18Å; F172-I190 HydrophobicContact CE2-CG2 4.22Å; F172-I190 HydrophobicContact CZ-CG2 3.93Å; I190-E205 WeakPolarHBondContact O-CA 3.36Å; I190-I206 HydrophobicContact CD1-CD1 4.05Å; I190-I206 HydrophobicContact CG1-CB 3.88Å; I190-I206 HydrophobicContact CG1-CD1 4.14Å; I190-I206 HydrophobicContact CG1-CG1 4.4Å; I190-I206 PolarHBondContact N-O 2.8Å; I190-I206 PolarHBondContact O-N 3.19Å; I190-F221 HydrophobicContact CD1-CB 3.76Å; I190-F221 HydrophobicContact CD1-CD1 3.56Å; I190-F221 HydrophobicContact CD1-CD2 4.35Å; I190-F221 HydrophobicContact CD1-CE1 4.22Å; I190-F221 HydrophobicContact CD1-CG 3.63Å; I190-F221 HydrophobicContact CG1-CD1 3.96Å; I190-F221 HydrophobicContact CG1-CE1 4.1Å; I190-F221 HydrophobicContact CG1-CG 4.22Å; I190-F221 HydrophobicContact CG1-CZ 4.47Å; I190-F221 HydrophobicContact CG2-CD2 3.87Å; I190-F221 HydrophobicContact CG2-CE2 3.96Å; I190-F221 HydrophobicContact CG2-CG 4.23Å; I190-F221 HydrophobicContact CG2-CZ 4.38Å
191	S	94.6	Very high	90.1	Very high	18 Å²	18	63.1 Å²	63.1	13%	0.126	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.3	176.7	62.2	0	0	0	0	110.1	F91 G118 T119 P204	F91-S191 WeakPolarHBondContact CE1-O 3.14Å; G118-S191 CarbonylContact C-O 3.6Å; G118-S191 WeakPolarHBondContact CA-O 3.37Å; T119-S191 PolarHBondContact N-O 3.33Å; T119-S191 PolarHBondContact O-N 2.85Å; T119-S191 VanDerWaalsContact O-O 3.08Å; S191-P204 VanDerWaalsContact CA-O 3.25Å; S191-P204 WeakPolarHBondContact CA-O 3.35Å
192	G	92.4	Very high	89.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	178.9	-178.5	0	0	0	0	0	112.6	I117 S203 P204	I117-G192 WeakPolarHBondContact O-CA 3.22Å; G192-S203 WeakPolarHBondContact O-CA 3.21Å; G192-P204 PolarHBondContact N-O 3.39Å; G192-P204 VanDerWaalsContact O-CD 3.24Å; G192-P204 WeakPolarHBondContact O-CD 3.12Å
193	L	89.5	Confident	89.3	Confident	33 Å²	33	63.4 Å²	63.4	17%	0.173	33%	0.329	C	S	.	.			trans	-101.3	139.6	176.2	-60.8	-176	0	0	0	111.4	F94 Y116 I117 T201 S203	F94-L193 HydrophobicContact CE2-CB 4.37Å; F94-L193 WeakPolarHBondContact CE2-O 3.41Å; Y116-L193 HydrophobicContact CD1-CD1 3.99Å; Y116-L193 HydrophobicContact CD1-CD2 4.25Å; Y116-L193 HydrophobicContact CD1-CG 4.13Å; Y116-L193 HydrophobicContact CE1-CD1 4.47Å; Y116-L193 HydrophobicContact CE1-CD2 4.02Å; Y116-L193 HydrophobicContact CE1-CG 4.11Å; Y116-L193 WeakPolarHBondContact O-CD1 3.47Å; I117-L193 PolarHBondContact O-N 2.96Å; L193-T201 HydrophobicContact CB-CG2 4.1Å; L193-T201 HydrophobicContact CD2-CG2 3.93Å; L193-T201 HydrophobicContact CG-CG2 4.42Å; L193-S203 WeakPolarHBondContact CD2-OG 3.34Å
194	I	85.3	Confident	88.9	Confident	19 Å²	19	59.4 Å²	59.4	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.1	167.8	-65.1	171.9	0	0	0	108.1	I29 Y54 Y92 C196 T201 R202 P204	I29-I194 HydrophobicContact CD1-CD1 4.26Å; I29-I194 HydrophobicContact CG2-CB 4.33Å; I29-I194 HydrophobicContact CG2-CD1 3.73Å; I29-I194 HydrophobicContact CG2-CG2 3.92Å; Y54-I194 HydrophobicContact CD1-CD1 3.52Å; Y54-I194 HydrophobicContact CE1-CD1 3.43Å; Y54-I194 VanDerWaalsContact CE1-CD1 3.43Å; Y92-I194 HydrophobicContact CD1-CD1 4.41Å; Y92-I194 HydrophobicContact CD1-CG1 4.23Å; I194-C196 PolarHBondContact O-N 3.35Å; I194-T201 CarbonylContact O-C 3.45Å; I194-T201 VanDerWaalsContact O-CA 3.31Å; I194-T201 WeakPolarHBondContact O-CA 3.47Å; I194-R202 HydrophobicContact CB-CB 4.46Å; I194-R202 PolarHBondContact N-O 3.03Å; I194-R202 PolarHBondContact O-N 2.76Å; I194-P204 HydrophobicContact CD1-CB 4.39Å; I194-P204 HydrophobicContact CD1-CG 3.54Å; I194-P204 HydrophobicContact CG1-CG 4.01Å
195	R	82.9	Confident	88.7	Confident	181 Å²	181	59.9 Å²	59.9	68%	0.683	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	120	171.8	-71	177.8	-177.4	171.5	1.5	109.6	F94	F94-R195 HydrophobicContact CZ-CG 4.1Å
196	C	82.8	Confident	88.6	Confident	19 Å²	19	59.3 Å²	59.3	13%	0.128	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-94.5	172.8	173.4	-64.1	0	0	0	0	111	C30 I194 H200 R202	C30-C196 WeakPolarHBondContact CA-SG 3.43Å; C30-C196 HydrophobicContact CB-CB 3.52Å; C30-C196 WeakPolarHBondContact CB-SG 3.19Å; C30-C196 WeakPolarHBondContact SG-CA 3.42Å; C30-C196 WeakPolarHBondContact SG-CB 3.31Å; C30-C196 CovalentContact SG-SG 2.02Å; C30-C196 PolarHBondContact SG-SG 3.45Å; I194-C196 PolarHBondContact O-N 3.35Å; C196-H200 WeakPolarHBondContact CA-O 3.43Å; C196-H200 HydrophobicContact CB-CB 3.89Å; C196-H200 VanDerWaalsContact CB-O 3.31Å; C196-H200 WeakPolarHBondContact CB-O 3.45Å; C196-H200 PolarHBondContact N-O 2.96Å; C196-R202 VanDerWaalsContact SG-CG 3.58Å
197	K	81	Confident	88.6	Confident	173 Å²	173	61.5 Å²	61.5	75%	0.752	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.6	156.7	171.9	-64.6	-176.7	-178.7	-179.8	0	110.1	G199 H200	K197-G199 PolarHBondContact O-N 2.95Å; K197-G199 VanDerWaalsContact O-N 3.14Å; K197-H200 PolarHBondContact O-N 2.9Å
198	E	80.5	Confident	88.7	Confident	185 Å²	185	59.3 Å²	59.3	86%	0.864	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	63.7	17	175.6	-58.1	171.6	-165.7	0	0	114.8	H200	E198-H200 VanDerWaalsContact C-N 3.29Å; E198-H200 PolarHBondContact O-N 3Å
199	G	76.2	Confident	88.6	Confident	69 Å²	69	60.9 Å²	60.9	71%	0.711	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	83.5	1.4	176.8	0	0	0	0	0	114.3	K197	K197-G199 PolarHBondContact O-N 2.95Å; K197-G199 VanDerWaalsContact O-N 3.14Å
200	H	82.3	Confident	88.7	Confident	122 Å²	122	60.6 Å²	60.6	57%	0.565	32%	0.324	S	S	*	.			trans	-62.9	144	169.8	-67.8	-67.1	0	0	0	110.5	C196 K197 E198	C196-H200 WeakPolarHBondContact CA-O 3.43Å; C196-H200 HydrophobicContact CB-CB 3.89Å; C196-H200 VanDerWaalsContact CB-O 3.31Å; C196-H200 WeakPolarHBondContact CB-O 3.45Å; C196-H200 PolarHBondContact N-O 2.96Å; K197-H200 PolarHBondContact O-N 2.9Å; E198-H200 VanDerWaalsContact C-N 3.29Å; E198-H200 PolarHBondContact O-N 3Å
201	T	83.3	Confident	88.7	Confident	75 Å²	75	64.8 Å²	64.8	46%	0.46	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.9	173.6	-59.4	0	0	0	0	108.3	L193 I194	L193-T201 HydrophobicContact CB-CG2 4.1Å; L193-T201 HydrophobicContact CD2-CG2 3.93Å; L193-T201 HydrophobicContact CG-CG2 4.42Å; I194-T201 CarbonylContact O-C 3.45Å; I194-T201 VanDerWaalsContact O-CA 3.31Å; I194-T201 WeakPolarHBondContact O-CA 3.47Å
202	R	85.9	Confident	88.9	Confident	63 Å²	63	64.4 Å²	64.4	24%	0.238	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147	172.8	-66.3	-68.6	-165.5	-179.3	2.1	109	I29 T32 I194 C196 P204	I29-R202 HydrophobicContact CD1-CB 4.1Å; I29-R202 HydrophobicContact CG1-CB 4.11Å; I29-R202 HydrophobicContact CG1-CG 4.21Å; I29-R202 HydrophobicContact CG2-CB 4.26Å; I29-R202 HydrophobicContact CG2-CG 4.37Å; I29-R202 PolarHBondContact O-NE 3.23Å; T32-R202 PolarHBondContact O-NH2 3.42Å; T32-R202 VanDerWaalsContact O-NH2 3.11Å; I194-R202 HydrophobicContact CB-CB 4.46Å; I194-R202 PolarHBondContact N-O 3.03Å; I194-R202 PolarHBondContact O-N 2.76Å; C196-R202 VanDerWaalsContact SG-CG 3.58Å; R202-P204 WeakPolarHBondContact O-CD 3.44Å
203	S	87.6	Confident	89.2	Confident	84 Å²	84	64.4 Å²	64.4	59%	0.587	34%	0.338	S	S	*	.			trans	-118.1	81.4	177.4	-56	0	0	0	0	109.8	G192 L193	G192-S203 WeakPolarHBondContact O-CA 3.21Å; L193-S203 WeakPolarHBondContact CD2-OG 3.34Å
204	P	88.3	Confident	89.6	Confident	15 Å²	15	66.8 Å²	66.8	10%	0.097	35%	0.346	C	S	.	.			trans	-60	146.2	172.9	28.6	-39.9	0	0	0	111.1	I29 Y92 S191 G192 I194 R202	I29-P204 HydrophobicContact CD1-CB 3.75Å; I29-P204 HydrophobicContact CD1-CG 4.28Å; Y92-P204 HydrophobicContact CD1-CG 3.9Å; Y92-P204 HydrophobicContact CE1-CB 4.12Å; Y92-P204 HydrophobicContact CE1-CG 3.29Å; S191-P204 VanDerWaalsContact CA-O 3.25Å; S191-P204 WeakPolarHBondContact CA-O 3.35Å; G192-P204 PolarHBondContact N-O 3.39Å; G192-P204 VanDerWaalsContact O-CD 3.24Å; G192-P204 WeakPolarHBondContact O-CD 3.12Å; I194-P204 HydrophobicContact CD1-CB 4.39Å; I194-P204 HydrophobicContact CD1-CG 3.54Å; I194-P204 HydrophobicContact CG1-CG 4.01Å; R202-P204 WeakPolarHBondContact O-CD 3.44Å
205	E	91.9	Very high	90.2	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.8	170.6	-169.9	-165.3	123	0	0	108.4	E189 I190 S207	E189-E205 HydrophobicContact CB-CG 4.11Å; E189-E205 HydrophobicContact CG-CG 4.42Å; I190-E205 WeakPolarHBondContact O-CA 3.36Å; E205-S207 PolarHBondContact OE1-OG 3.49Å
206	I	94.4	Very high	90.9	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	103.4	172.6	-54.4	167.2	0	0	0	107.1	H53 Y56 E189 I190 F221	H53-I206 HydrophobicContact CB-CD1 3.5Å; H53-I206 HydrophobicContact CB-CG1 3.87Å; H53-I206 HydrophobicContact CB-CG2 4.31Å; Y56-I206 HydrophobicContact CD2-CD1 4.08Å; Y56-I206 HydrophobicContact CG-CD1 4.16Å; E189-I206 VanDerWaalsContact CA-O 3.25Å; E189-I206 WeakPolarHBondContact CA-O 3.1Å; I190-I206 HydrophobicContact CD1-CD1 4.05Å; I190-I206 HydrophobicContact CG1-CB 3.88Å; I190-I206 HydrophobicContact CG1-CD1 4.14Å; I190-I206 HydrophobicContact CG1-CG1 4.4Å; I190-I206 PolarHBondContact N-O 2.8Å; I190-I206 PolarHBondContact O-N 3.19Å; I206-F221 HydrophobicContact CB-CE1 4.31Å; I206-F221 HydrophobicContact CG2-CD1 4.33Å; I206-F221 HydrophobicContact CG2-CE1 3.68Å
207	S	95.6	Very high	91.6	Very high	57 Å²	57	59.2 Å²	59.2	40%	0.399	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.8	179.5	-12.6	0	0	0	0	110.8	S188 E205	S188-S207 CarbonylContact O-C 3.54Å; S188-S207 WeakPolarHBondContact O-CA 3.4Å; E205-S207 PolarHBondContact OE1-OG 3.49Å
208	V	97.6	Very high	92.5	Very high	7 Å²	7	52 Å²	52	4%	0.042	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.6	126.1	169.3	-178.1	0	0	0	0	108	M58 I60 F172 S188 A210 W212 I213 V219 F221	M58-V208 HydrophobicContact SD-CG2 4.28Å; I60-V208 HydrophobicContact CD1-CG1 4.21Å; F172-V208 HydrophobicContact CD2-CG2 4.02Å; F172-V208 HydrophobicContact CE2-CG2 4.42Å; S188-V208 PolarHBondContact O-N 2.83Å; V208-A210 PolarHBondContact O-N 2.72Å; V208-W212 HydrophobicContact CG1-CB 4.29Å; V208-I213 HydrophobicContact CB-CD1 4.42Å; V208-I213 HydrophobicContact CB-CG1 4.4Å; V208-I213 HydrophobicContact CG1-CD1 4.49Å; V208-I213 HydrophobicContact CG1-CG1 3.94Å; V208-V219 HydrophobicContact CG1-CG2 3.89Å; V208-V219 HydrophobicContact CG2-CB 4.4Å; V208-V219 HydrophobicContact CG2-CG1 3.84Å; V208-V219 HydrophobicContact CG2-CG2 4.14Å; V208-F221 HydrophobicContact CG2-CE2 4.26Å; V208-F221 HydrophobicContact CG2-CZ 3.75Å
209	P	97.1	Very high	93.3	Very high	33 Å²	33	43.2 Å²	43.2	21%	0.214	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-62	125.7	178.1	-14.7	24.1	0	0	0	110	K211 W212	P209-K211 HydrophobicContact CB-CG 4.45Å; P209-K211 PolarHBondContact O-N 2.85Å; P209-W212 WeakPolarHBondContact O-CB 3.47Å; P209-W212 PolarHBondContact O-N 3.2Å
210	A	97.3	Very high	94.4	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.5	-32.3	-168.6	0	0	0	0	0	114.3	E183 V208 W212 I213	E183-A210 HydrophobicContact CB-CB 3.78Å; E183-A210 HydrophobicContact CG-CB 4.39Å; E183-A210 WeakPolarHBondContact O-CB 3.5Å; V208-A210 PolarHBondContact O-N 2.72Å; A210-W212 PolarHBondContact O-N 3.35Å; A210-I213 WeakPolarHBondContact O-CB 3.31Å; A210-I213 PolarHBondContact O-N 3.44Å
211	K	96.7	Very high	95.1	Very high	87 Å²	87	35.1 Å²	35.1	38%	0.378	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-55.2	-20.6	173.6	73.4	177.6	-171.8	173.2	0	115.3	E44 E183 P209 K214	E44-K211 VanDerWaalsContact OE1-CE 3.26Å; E44-K211 WeakPolarHBondContact OE1-CE 3.41Å; E44-K211 IonicContact OE1-NZ 3.73Å; E44-K211 PolarHBondContact OE1-NZ 2.86Å; E183-K211 WeakPolarHBondContact OE1-CA 3.44Å; E183-K211 PolarHBondContact OE2-N 2.96Å; P209-K211 HydrophobicContact CB-CG 4.45Å; P209-K211 PolarHBondContact O-N 2.85Å; K211-K214 WeakPolarHBondContact O-CD 3.43Å; K211-K214 WeakPolarHBondContact O-CE 3.48Å; K211-K214 PolarHBondContact O-NZ 2.8Å
212	W	98	Very high	95.5	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.038	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-94.7	-12.8	177.4	-71.2	102.6	0	0	0	113.6	E44 N45 R49 I60 R62 V208 P209 A210 K214 T217	E44-W212 HydrophobicContact CG-CZ2 4.02Å; N45-W212 WeakPolarHBondContact O-CH2 3.29Å; N45-W212 WeakPolarHBondContact O-CZ2 3.08Å; R49-W212 HydrophobicContact CB-CH2 4.05Å; R49-W212 HydrophobicContact CB-CZ2 3.66Å; I60-W212 HydrophobicContact CB-CD2 4.39Å; I60-W212 HydrophobicContact CB-CE3 4.18Å; I60-W212 HydrophobicContact CD1-CB 3.93Å; I60-W212 HydrophobicContact CD1-CD2 4.12Å; I60-W212 HydrophobicContact CD1-CG 3.71Å; I60-W212 HydrophobicContact CG2-CB 4.03Å; I60-W212 HydrophobicContact CG2-CD2 3.76Å; I60-W212 HydrophobicContact CG2-CE3 3.33Å; I60-W212 HydrophobicContact CG2-CG 4.06Å; I60-W212 HydrophobicContact CG2-CZ3 3.97Å; R62-W212 HydrophobicContact CG-CE3 4.17Å; R62-W212 HydrophobicContact CG-CZ3 3.78Å; V208-W212 HydrophobicContact CG1-CB 4.29Å; P209-W212 WeakPolarHBondContact O-CB 3.47Å; P209-W212 PolarHBondContact O-N 3.2Å; A210-W212 PolarHBondContact O-N 3.35Å; W212-K214 VanDerWaalsContact C-N 3.26Å; W212-K214 PolarHBondContact O-N 2.99Å; W212-T217 WeakPolarHBondContact O-CB 3.2Å; W212-T217 VanDerWaalsContact O-CG2 3.31Å; W212-T217 WeakPolarHBondContact O-CG2 3.35Å; W212-T217 PolarHBondContact O-OG1 3.11Å
213	I	98.2	Very high	95.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.187	C	C	.	.			trans	-78.3	79.8	178.1	-55.7	-179.7	0	0	0	108.3	M160 Y174 I177 L186 V208 A210	M160-I213 HydrophobicContact CE-CG2 3.77Å; Y174-I213 HydrophobicContact CD1-CG2 3.75Å; Y174-I213 HydrophobicContact CD2-CG2 4.29Å; Y174-I213 HydrophobicContact CE1-CB 4.47Å; Y174-I213 HydrophobicContact CE1-CG1 4.37Å; Y174-I213 HydrophobicContact CE1-CG2 3.65Å; Y174-I213 HydrophobicContact CE2-CB 4.27Å; Y174-I213 HydrophobicContact CE2-CG1 4.13Å; Y174-I213 HydrophobicContact CE2-CG2 4.18Å; Y174-I213 HydrophobicContact CG-CG2 4.07Å; I177-I213 HydrophobicContact CD1-CG2 4.16Å; I177-I213 HydrophobicContact CG1-CG2 4.36Å; L186-I213 HydrophobicContact CB-CB 4.14Å; L186-I213 HydrophobicContact CB-CD1 3.96Å; L186-I213 HydrophobicContact CB-CG2 4.01Å; L186-I213 HydrophobicContact CD1-CB 4.07Å; L186-I213 HydrophobicContact CD1-CG2 4.05Å; L186-I213 HydrophobicContact CD2-CG2 4.2Å; L186-I213 HydrophobicContact CG-CG2 4.32Å; V208-I213 HydrophobicContact CB-CD1 4.42Å; V208-I213 HydrophobicContact CB-CG1 4.4Å; V208-I213 HydrophobicContact CG1-CD1 4.49Å; V208-I213 HydrophobicContact CG1-CG1 3.94Å; A210-I213 WeakPolarHBondContact O-CB 3.31Å; A210-I213 PolarHBondContact O-N 3.44Å
214	K	97.9	Very high	95.4	Very high	82 Å²	82	28.7 Å²	28.7	36%	0.357	16%	0.164	S	C	.	.			trans	-135.9	151.7	-176.1	-69.7	175.5	176.4	158	0	110.4	K211 W212 G216 T217	K211-K214 WeakPolarHBondContact O-CD 3.43Å; K211-K214 WeakPolarHBondContact O-CE 3.48Å; K211-K214 PolarHBondContact O-NZ 2.8Å; W212-K214 VanDerWaalsContact C-N 3.26Å; W212-K214 PolarHBondContact O-N 2.99Å; K214-G216 PolarHBondContact O-N 2.99Å; K214-T217 WeakPolarHBondContact O-CB 3.45Å; K214-T217 PolarHBondContact O-N 2.88Å; K214-T217 VanDerWaalsContact O-N 3.1Å; K214-T217 PolarHBondContact O-OG1 2.95Å
215	S	98.2	Very high	94.7	Very high	48 Å²	48	34.5 Å²	34.5	34%	0.336	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	133.9	176.5	-54.7	0	0	0	0	112.5	Y174 I177 T217	Y174-S215 CarbonylContact O-C 3.43Å; Y174-S215 WeakPolarHBondContact O-CA 3.5Å; I177-S215 PolarHBondContact N-OG 2.88Å; I177-S215 PolarHBondContact O-OG 3.02Å; S215-T217 VanDerWaalsContact C-N 3.34Å
216	G	98.1	Very high	93.7	Very high	13 Å²	13	34.2 Å²	34.2	13%	0.134	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	20.7	-179.4	0	0	0	0	0	114.3	R62 Y63 Q64 Y174 K214	R62-G216 CarbonylContact C-O 3.48Å; Y63-G216 WeakPolarHBondContact CA-O 3.46Å; Y63-G216 PolarHBondContact N-O 3.04Å; Q64-G216 PolarHBondContact N-O 2.85Å; Y174-G216 PolarHBondContact O-N 3.08Å; K214-G216 PolarHBondContact O-N 2.99Å
217	T	98.6	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.3	175.6	-45.3	0	0	0	0	110.4	I60 Q61 R62 Y173 Y174 W212 K214 S215	I60-T217 HydrophobicContact CG2-CG2 3.44Å; I60-T217 VanDerWaalsContact CG2-CG2 3.44Å; Q61-T217 WeakPolarHBondContact O-CA 3.28Å; Q61-T217 WeakPolarHBondContact O-CG2 3.38Å; R62-T217 WeakPolarHBondContact CD-OG1 3.48Å; R62-T217 PolarHBondContact NE-OG1 3.42Å; Y173-T217 WeakPolarHBondContact CA-O 3.37Å; Y174-T217 WeakPolarHBondContact CD2-O 3.46Å; Y174-T217 PolarHBondContact N-O 2.88Å; Y174-T217 VanDerWaalsContact N-O 3.09Å; W212-T217 WeakPolarHBondContact O-CB 3.2Å; W212-T217 VanDerWaalsContact O-CG2 3.31Å; W212-T217 WeakPolarHBondContact O-CG2 3.35Å; W212-T217 PolarHBondContact O-OG1 3.11Å; K214-T217 WeakPolarHBondContact O-CB 3.45Å; K214-T217 PolarHBondContact O-N 2.88Å; K214-T217 VanDerWaalsContact O-N 3.1Å; K214-T217 PolarHBondContact O-OG1 2.95Å; S215-T217 VanDerWaalsContact C-N 3.34Å
218	L	98.6	Very high	92	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.11	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.3	172.8	-179.8	65.9	0	0	0	108.8	I60 Q61 Q64 F172 Y173 E220	I60-L218 CarbonylContact C-O 3.5Å; I60-L218 WeakPolarHBondContact CA-O 3.26Å; Q61-L218 PolarHBondContact N-O 2.85Å; Q61-L218 PolarHBondContact O-N 3.07Å; Q64-L218 HydrophobicContact CB-CB 3.92Å; Q64-L218 HydrophobicContact CG-CB 3.81Å; Q64-L218 HydrophobicContact CG-CD2 4.5Å; F172-L218 CarbonylContact O-C 3.57Å; F172-L218 WeakPolarHBondContact O-CA 3.33Å; Y173-L218 HydrophobicContact CD2-CB 4.17Å; Y173-L218 HydrophobicContact CD2-CD1 4.24Å; L218-E220 HydrophobicContact CD1-CG 4.49Å; L218-E220 HydrophobicContact CD2-CG 4.2Å; L218-E220 HydrophobicContact CG-CG 4.05Å
219	V	98.6	Very high	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.7	170.9	-176.2	0	0	0	0	108.1	M58 R59 I60 S171 F172 Y174 V208 F221	M58-V219 HydrophobicContact CG-CG1 3.81Å; M58-V219 HydrophobicContact SD-CG1 4.08Å; R59-V219 CarbonylContact O-C 3.55Å; R59-V219 VanDerWaalsContact O-CA 3.28Å; R59-V219 WeakPolarHBondContact O-CA 3.43Å; I60-V219 HydrophobicContact CG1-CG1 4.26Å; I60-V219 HydrophobicContact CG1-CG2 4.19Å; I60-V219 HydrophobicContact CG2-CG2 4.18Å; S171-V219 CarbonylContact C-O 3.58Å; S171-V219 WeakPolarHBondContact CA-O 3.43Å; F172-V219 HydrophobicContact CB-CB 4.25Å; F172-V219 PolarHBondContact N-O 3.16Å; F172-V219 PolarHBondContact O-N 3.01Å; Y174-V219 HydrophobicContact CE2-CG2 3.83Å; V208-V219 HydrophobicContact CG1-CG2 3.89Å; V208-V219 HydrophobicContact CG2-CB 4.4Å; V208-V219 HydrophobicContact CG2-CG1 3.84Å; V208-V219 HydrophobicContact CG2-CG2 4.14Å; V219-F221 HydrophobicContact CG1-CD2 4.3Å; V219-F221 HydrophobicContact CG1-CE2 3.66Å; V219-F221 HydrophobicContact CG1-CZ 3.84Å
220	E	97.9	Very high	90.1	Very high	21 Å²	21	45.9 Å²	45.9	10%	0.098	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.5	177.4	-61.1	-173.5	113.6	0	0	110.5	M58 R59 K169 V170 L218	M58-E220 CarbonylContact C-O 3.52Å; M58-E220 WeakPolarHBondContact CA-O 3.19Å; R59-E220 PolarHBondContact N-O 3.14Å; R59-E220 IonicContact NH1-OE2 2.73Å; R59-E220 PolarHBondContact O-N 3.37Å; K169-E220 HydrophobicContact CD-CB 4.27Å; K169-E220 HydrophobicContact CD-CG 4.48Å; K169-E220 WeakPolarHBondContact CE-OE1 3.49Å; K169-E220 IonicContact NZ-OE1 3.61Å; K169-E220 PolarHBondContact NZ-OE1 2.86Å; V170-E220 CarbonylContact O-C 3.54Å; V170-E220 WeakPolarHBondContact O-CA 3.44Å; L218-E220 HydrophobicContact CD1-CG 4.49Å; L218-E220 HydrophobicContact CD2-CG 4.2Å; L218-E220 HydrophobicContact CG-CG 4.05Å
221	F	96.5	Very high	89.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.8	170.7	-58.6	-86.6	0	0	0	109.7	Y56 S57 M58 K169 V170 F172 I190 I206 V208 V219	Y56-F221 HydrophobicContact CD1-CB 4.11Å; S57-F221 WeakPolarHBondContact O-CA 3.41Å; M58-F221 HydrophobicContact CB-CD1 4.01Å; M58-F221 HydrophobicContact CB-CE1 3.93Å; M58-F221 HydrophobicContact CG-CD1 4.13Å; M58-F221 HydrophobicContact CG-CE1 3.71Å; M58-F221 HydrophobicContact CG-CZ 4.19Å; M58-F221 HydrophobicContact SD-CE1 3.68Å; M58-F221 HydrophobicContact SD-CZ 3.92Å; K169-F221 WeakPolarHBondContact CA-O 3.12Å; K169-F221 WeakPolarHBondContact CG-O 3.31Å; V170-F221 HydrophobicContact CB-CB 4.32Å; V170-F221 HydrophobicContact CB-CD2 4.39Å; V170-F221 HydrophobicContact CG1-CD2 4.36Å; V170-F221 PolarHBondContact N-O 2.74Å; V170-F221 PolarHBondContact O-N 3.03Å; F172-F221 AromaticContact CD2-CE2 3.64Å; F172-F221 HydrophobicContact CD2-CE2 3.64Å; F172-F221 HydrophobicContact CD2-CZ 4.42Å; F172-F221 HydrophobicContact CE2-CD2 4.4Å; F172-F221 AromaticContact CE2-CE2 3.5Å; F172-F221 HydrophobicContact CE2-CE2 3.5Å; F172-F221 VanDerWaalsContact CE2-CE2 3.5Å; F172-F221 HydrophobicContact CE2-CZ 4.18Å; F172-F221 HydrophobicContact CZ-CE2 4.35Å; I190-F221 HydrophobicContact CD1-CB 3.76Å; I190-F221 HydrophobicContact CD1-CD1 3.56Å; I190-F221 HydrophobicContact CD1-CD2 4.35Å; I190-F221 HydrophobicContact CD1-CE1 4.22Å; I190-F221 HydrophobicContact CD1-CG 3.63Å; I190-F221 HydrophobicContact CG1-CD1 3.96Å; I190-F221 HydrophobicContact CG1-CE1 4.1Å; I190-F221 HydrophobicContact CG1-CG 4.22Å; I190-F221 HydrophobicContact CG1-CZ 4.47Å; I190-F221 HydrophobicContact CG2-CD2 3.87Å; I190-F221 HydrophobicContact CG2-CE2 3.96Å; I190-F221 HydrophobicContact CG2-CG 4.23Å; I190-F221 HydrophobicContact CG2-CZ 4.38Å; I206-F221 HydrophobicContact CB-CE1 4.31Å; I206-F221 HydrophobicContact CG2-CD1 4.33Å; I206-F221 HydrophobicContact CG2-CE1 3.68Å; V208-F221 HydrophobicContact CG2-CE2 4.26Å; V208-F221 HydrophobicContact CG2-CZ 3.75Å; V219-F221 HydrophobicContact CG1-CD2 4.3Å; V219-F221 HydrophobicContact CG1-CE2 3.66Å; V219-F221 HydrophobicContact CG1-CZ 3.84Å
222	E	93.1	Very high	89	Confident	15 Å²	15	49 Å²	49	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.4	175.3	-69.2	-179.3	-167.8	0	0	110	Y56 S57 R59 K169 M224 T264 K268	Y56-E222 CarbonylContact C-O 3.35Å; Y56-E222 VanDerWaalsContact CA-O 3.25Å; Y56-E222 WeakPolarHBondContact CA-O 3.13Å; S57-E222 PolarHBondContact N-O 3.49Å; S57-E222 PolarHBondContact O-N 3.26Å; R59-E222 IonicContact NH1-OE1 3.93Å; K169-E222 HydrophobicContact CB-CG 4.41Å; K169-E222 HydrophobicContact CD-CG 3.83Å; K169-E222 HydrophobicContact CG-CG 3.97Å; E222-M224 PolarHBondContact O-N 2.86Å; E222-T264 WeakPolarHBondContact OE1-CG2 3.35Å; E222-K268 VanDerWaalsContact OE2-CE 3.23Å; E222-K268 WeakPolarHBondContact OE2-CE 3.19Å; E222-K268 IonicContact OE2-NZ 2.61Å; E222-K268 PolarHBondContact OE2-NZ 2.83Å
223	A	89.6	Confident	88.6	Confident	48 Å²	48	51.2 Å²	51.2	40%	0.397	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.3	176.2	0	0	0	0	0	110.4	K55 Y56	K55-A223 CarbonylContact O-C 3.47Å; K55-A223 WeakPolarHBondContact O-CA 2.93Å; Y56-A223 HydrophobicContact CD1-CB 4.33Å; Y56-A223 HydrophobicContact CE1-CB 3.91Å
224	M	81.8	Confident	88.2	Confident	24 Å²	24	52.8 Å²	52.8	12%	0.118	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-88.7	118.4	171	-64.1	176.2	70.6	0	0	108.1	F52 K55 Y56 E222	F52-M224 HydrophobicContact CB-CE 4.49Å; F52-M224 HydrophobicContact CB-SD 4.26Å; F52-M224 HydrophobicContact CD1-CE 3.79Å; F52-M224 HydrophobicContact CD1-SD 3.66Å; F52-M224 HydrophobicContact CD2-CE 4.16Å; F52-M224 HydrophobicContact CE1-CE 3.97Å; F52-M224 HydrophobicContact CE1-SD 4.21Å; F52-M224 HydrophobicContact CE2-CE 4.37Å; F52-M224 HydrophobicContact CG-CE 3.9Å; F52-M224 HydrophobicContact CG-SD 4.03Å; F52-M224 HydrophobicContact CZ-CE 4.29Å; K55-M224 PolarHBondContact O-N 3.46Å; Y56-M224 VanDerWaalsContact C-SD 3.54Å; E222-M224 PolarHBondContact O-N 2.86Å
225	R	72.6	Confident	87.9	Confident	138 Å²	138	55.5 Å²	55.5	52%	0.521	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-88	138.9	173.5	-53.3	-179.5	178.6	178.9	-3.6	109.1	R227 E258	R225-R227 PolarHBondContact O-N 2.84Å; R225-E258 WeakPolarHBondContact CB-OE1 3.37Å; R225-E258 WeakPolarHBondContact CB-OE2 3.32Å; R225-E258 VanDerWaalsContact CD-OE1 3.24Å; R225-E258 WeakPolarHBondContact CD-OE1 3.08Å; R225-E258 VanDerWaalsContact CG-OE1 3.3Å; R225-E258 WeakPolarHBondContact CG-OE1 3.48Å; R225-E258 IonicContact NE-OE1 3.83Å
226	D	70.7	Confident	87.6	Confident	80 Å²	80	55.8 Å²	55.8	43%	0.428	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	0.7	-175.4	-47.7	-53.8	0	0	0	114.3	K55 C228 L229	K55-D226 IonicContact NZ-OD1 2.67Å; K55-D226 PolarHBondContact NZ-OD1 2.8Å; K55-D226 IonicContact NZ-OD2 3.98Å; K55-D226 PolarHBondContact NZ-OD2 3.09Å; D226-C228 VanDerWaalsContact C-N 3.3Å; D226-C228 PolarHBondContact O-N 2.98Å; D226-L229 PolarHBondContact O-N 2.73Å
227	R	71.6	Confident	87.3	Confident	152 Å²	152	55.2 Å²	55.2	57%	0.574	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-38	-173.8	-70.9	-172.3	175.6	-138.4	0.9	112.9	R225 Q230 Y231 V245	R225-R227 PolarHBondContact O-N 2.84Å; R227-Q230 WeakPolarHBondContact O-CG 3.4Å; R227-Q230 PolarHBondContact O-NE2 3.34Å; R227-Y231 VanDerWaalsContact O-CE2 3.29Å; R227-Y231 WeakPolarHBondContact O-CE2 3.46Å; R227-V245 HydrophobicContact CB-CG1 4.39Å
228	C	82.4	Confident	86.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-31.8	177.8	-59.7	0	0	0	0	111.7	D226 Q230 Y231 C247 C256 E258	D226-C228 VanDerWaalsContact C-N 3.3Å; D226-C228 PolarHBondContact O-N 2.98Å; C228-Q230 PolarHBondContact O-N 3.39Å; C228-Y231 VanDerWaalsContact O-CD2 3.28Å; C228-Y231 WeakPolarHBondContact O-CD2 3.49Å; C228-Y231 PolarHBondContact O-N 2.7Å; C228-C247 HydrophobicContact CB-CB 3.85Å; C228-C247 WeakPolarHBondContact CB-SG 3.28Å; C228-C247 WeakPolarHBondContact SG-CA 3.17Å; C228-C247 WeakPolarHBondContact SG-CB 3.49Å; C228-C247 CovalentContact SG-SG 2.04Å; C228-C247 PolarHBondContact SG-SG 2.77Å; C228-C256 CarbonylContact C-O 3.58Å; C228-C256 HydrophobicContact CB-CB 4.5Å; C228-C256 WeakPolarHBondContact O-CB 3.46Å; C228-C256 PolarHBondContact O-SG 2.84Å; C228-C256 VanDerWaalsContact O-SG 3.33Å; C228-E258 HydrophobicContact CB-CB 4.24Å; C228-E258 VanDerWaalsContact SG-CA 3.53Å
229	L	77	Confident	86.4	Confident	64 Å²	64	65.8 Å²	65.8	34%	0.335	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	-173.6	-67.1	176	0	0	0	114.1	D226 Y231 C256	D226-L229 PolarHBondContact O-N 2.73Å; L229-Y231 VanDerWaalsContact C-N 3.27Å; L229-Y231 PolarHBondContact O-N 2.89Å; L229-C256 WeakPolarHBondContact CD2-O 3.38Å; L229-C256 PolarHBondContact N-O 2.81Å
230	Q	78.9	Confident	85.9	Confident	134 Å²	134	66.4 Å²	66.4	63%	0.626	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18	175.9	68.7	-176.5	-2.9	0	0	114.2	R227 C228	R227-Q230 WeakPolarHBondContact O-CG 3.4Å; R227-Q230 PolarHBondContact O-NE2 3.34Å; C228-Q230 PolarHBondContact O-N 3.39Å
231	Y	85.2	Confident	85.3	Confident	75 Å²	75	68.4 Å²	68.4	29%	0.294	34%	0.343	S	S	.	.			trans	-91.4	122.6	-178.9	-56.7	-73.2	0	0	0	110.5	R227 C228 L229 A240 C256	R227-Y231 VanDerWaalsContact O-CE2 3.29Å; R227-Y231 WeakPolarHBondContact O-CE2 3.46Å; C228-Y231 VanDerWaalsContact O-CD2 3.28Å; C228-Y231 WeakPolarHBondContact O-CD2 3.49Å; C228-Y231 PolarHBondContact O-N 2.7Å; L229-Y231 VanDerWaalsContact C-N 3.27Å; L229-Y231 PolarHBondContact O-N 2.89Å; Y231-A240 HydrophobicContact CD1-CB 4.4Å; Y231-A240 HydrophobicContact CD2-CB 3.46Å; Y231-A240 VanDerWaalsContact CD2-CB 3.46Å; Y231-A240 HydrophobicContact CE1-CB 4.06Å; Y231-A240 HydrophobicContact CE2-CB 3.06Å; Y231-A240 HydrophobicContact CG-CB 4.12Å; Y231-C256 VanDerWaalsContact O-CB 3.22Å; Y231-C256 WeakPolarHBondContact O-CB 3.2Å
232	N	85.7	Confident	84.7	Confident	103 Å²	103	72.2 Å²	72.2	55%	0.551	37%	0.366	S	S	*	.			trans	-106.1	7.1	-170.8	67.1	-9.5	0	0	0	114	W249	N232-W249 VanDerWaalsContact C-CH2 3.47Å; N232-W249 VanDerWaalsContact O-CH2 3.27Å; N232-W249 WeakPolarHBondContact O-CH2 3.41Å
233	T	89.2	Confident	84	Confident	57 Å²	57	77.6 Å²	77.6	35%	0.35	41%	0.405	S	S	.	.	S	Bend	trans	-132.4	151.2	173.1	69.7	0	0	0	0	110.7	E235 T236 C237 W249	T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.03Å; T233-T236 PolarHBondContact N-OG1 2.71Å; T233-T236 PolarHBondContact O-N 2.86Å; T233-T236 PolarHBondContact O-OG1 2.88Å; T233-T236 VanDerWaalsContact O-OG1 3.06Å; T233-T236 WeakPolarHBondContact OG1-CB 3.48Å; T233-T236 VanDerWaalsContact OG1-CG2 3.31Å; T233-T236 WeakPolarHBondContact OG1-CG2 3.4Å; T233-T236 PolarHBondContact OG1-N 2.91Å; T233-T236 PolarHBondContact OG1-OG1 2.86Å; T233-C237 WeakPolarHBondContact O-CB 3.39Å; T233-C237 PolarHBondContact O-N 2.87Å; T233-W249 VanDerWaalsContact C-CZ3 3.42Å
234	S	90.7	Very high	83.5	Confident	33 Å²	33	81.3 Å²	81.3	23%	0.231	42%	0.417	C	S	.	.	H	α-helix	trans	-54.8	-43.8	176.6	-173.8	0	0	0	0	112.2	C237 Q238 W249	S234-C237 WeakPolarHBondContact O-CB 3.34Å; S234-C237 PolarHBondContact O-N 2.9Å; S234-Q238 WeakPolarHBondContact O-CB 3.46Å; S234-Q238 VanDerWaalsContact O-CG 3.28Å; S234-Q238 WeakPolarHBondContact O-CG 3.2Å; S234-Q238 PolarHBondContact O-N 3.31Å; S234-Q238 PolarHBondContact OG-NE2 3.26Å; S234-W249 VanDerWaalsContact CA-CD2 3.45Å
235	E	91.3	Very high	83.5	Confident	139 Å²	139	80.4 Å²	80.4	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-62.6	-50.2	178.6	-175.9	-178.6	-176	0	0	112.5	T233 C237 Q238 N239	T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.03Å; E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.12Å; E235-Q238 PolarHBondContact O-N 2.91Å; E235-N239 WeakPolarHBondContact O-CB 3.26Å; E235-N239 VanDerWaalsContact O-CG 3.29Å; E235-N239 PolarHBondContact O-N 3.33Å; E235-N239 PolarHBondContact O-ND2 3.24Å
236	T	92.2	Very high	84.2	Confident	55 Å²	55	79.8 Å²	79.8	34%	0.337	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-35.2	179.7	55.9	0	0	0	0	111.6	T233 A240	T233-T236 PolarHBondContact N-OG1 2.71Å; T233-T236 PolarHBondContact O-N 2.86Å; T233-T236 PolarHBondContact O-OG1 2.88Å; T233-T236 VanDerWaalsContact O-OG1 3.06Å; T233-T236 WeakPolarHBondContact OG1-CB 3.48Å; T233-T236 VanDerWaalsContact OG1-CG2 3.31Å; T233-T236 WeakPolarHBondContact OG1-CG2 3.4Å; T233-T236 PolarHBondContact OG1-N 2.91Å; T233-T236 PolarHBondContact OG1-OG1 2.86Å; T236-A240 WeakPolarHBondContact O-CB 3.5Å; T236-A240 PolarHBondContact O-N 2.82Å; T236-A240 VanDerWaalsContact O-N 3.1Å
237	C	90.8	Very high	85.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-63.4	-47.7	175.2	-177.8	0	0	0	0	112.8	T233 S234 E235 N239 A240 C247 F248 W249 C256	T233-C237 WeakPolarHBondContact O-CB 3.39Å; T233-C237 PolarHBondContact O-N 2.87Å; S234-C237 WeakPolarHBondContact O-CB 3.34Å; S234-C237 PolarHBondContact O-N 2.9Å; E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.12Å; C237-N239 VanDerWaalsContact C-N 3.34Å; C237-N239 PolarHBondContact O-N 3.24Å; C237-A240 WeakPolarHBondContact O-CB 3.41Å; C237-A240 PolarHBondContact O-N 2.99Å; C237-C247 VanDerWaalsContact O-CB 3.31Å; C237-C247 WeakPolarHBondContact O-CB 3.17Å; C237-F248 PolarHBondContact SG-O 2.9Å; C237-W249 HydrophobicContact CB-CB 4.37Å; C237-W249 HydrophobicContact CB-CE3 3.83Å; C237-C256 WeakPolarHBondContact CA-SG 3.33Å; C237-C256 HydrophobicContact CB-CB 3.52Å; C237-C256 WeakPolarHBondContact CB-SG 3.38Å; C237-C256 WeakPolarHBondContact SG-CA 3.36Å; C237-C256 WeakPolarHBondContact SG-CB 3.19Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.81Å
238	Q	89.1	Confident	85.9	Confident	119 Å²	119	70 Å²	70	56%	0.556	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-42.6	178.8	-72.1	175.5	10.9	0	0	111	S234 E235 A240 T241	S234-Q238 WeakPolarHBondContact O-CB 3.46Å; S234-Q238 VanDerWaalsContact O-CG 3.28Å; S234-Q238 WeakPolarHBondContact O-CG 3.2Å; S234-Q238 PolarHBondContact O-N 3.31Å; S234-Q238 PolarHBondContact OG-NE2 3.26Å; E235-Q238 PolarHBondContact O-N 2.91Å; Q238-A240 PolarHBondContact O-N 2.86Å; Q238-T241 WeakPolarHBondContact O-CB 3.43Å; Q238-T241 PolarHBondContact O-N 2.78Å; Q238-T241 PolarHBondContact O-OG1 3.11Å
239	N	90	Very high	86.3	Confident	124 Å²	124	71.7 Å²	71.7	66%	0.663	38%	0.376	S	S	*	.	H	α-helix	trans	-67.9	-17.6	178.1	-70.8	-24.2	0	0	0	113.9	E235 C237 T241	E235-N239 WeakPolarHBondContact O-CB 3.26Å; E235-N239 VanDerWaalsContact O-CG 3.29Å; E235-N239 PolarHBondContact O-N 3.33Å; E235-N239 PolarHBondContact O-ND2 3.24Å; C237-N239 VanDerWaalsContact C-N 3.34Å; C237-N239 PolarHBondContact O-N 3.24Å; N239-T241 VanDerWaalsContact C-N 3.25Å; N239-T241 PolarHBondContact O-N 2.58Å
240	A	87.5	Confident	86.8	Confident	13 Å²	13	68.7 Å²	68.7	11%	0.107	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.8	177.1	0	0	0	0	0	114.2	Y231 T236 C237 Q238 T242 C247	Y231-A240 HydrophobicContact CD1-CB 4.4Å; Y231-A240 HydrophobicContact CD2-CB 3.46Å; Y231-A240 VanDerWaalsContact CD2-CB 3.46Å; Y231-A240 HydrophobicContact CE1-CB 4.06Å; Y231-A240 HydrophobicContact CE2-CB 3.06Å; Y231-A240 HydrophobicContact CG-CB 4.12Å; T236-A240 WeakPolarHBondContact O-CB 3.5Å; T236-A240 PolarHBondContact O-N 2.82Å; T236-A240 VanDerWaalsContact O-N 3.1Å; C237-A240 WeakPolarHBondContact O-CB 3.41Å; C237-A240 PolarHBondContact O-N 2.99Å; Q238-A240 PolarHBondContact O-N 2.86Å; A240-T242 PolarHBondContact O-N 2.82Å; A240-C247 HydrophobicContact CB-CB 4.34Å
241	T	86.1	Confident	87.2	Confident	63 Å²	63	67.2 Å²	67.2	39%	0.387	35%	0.353	S	S	.	.			trans	-64.6	130.2	178.6	-68.5	0	0	0	0	111	Q238 N239 V245 R246 C247	Q238-T241 WeakPolarHBondContact O-CB 3.43Å; Q238-T241 PolarHBondContact O-N 2.78Å; Q238-T241 PolarHBondContact O-OG1 3.11Å; N239-T241 VanDerWaalsContact C-N 3.25Å; N239-T241 PolarHBondContact O-N 2.58Å; T241-V245 CarbonylContact C-O 3.57Å; T241-V245 WeakPolarHBondContact CA-O 3.17Å; T241-R246 HydrophobicContact CG2-CG 4.33Å; T241-C247 PolarHBondContact OG1-N 3.44Å; T241-C247 PolarHBondContact OG1-O 2.77Å
242	T	83.8	Confident	87	Confident	81 Å²	81	67.9 Å²	67.9	50%	0.497	36%	0.355	S	S	.	.			trans	-123.8	179.3	177.1	63.3	0	0	0	0	110.2	A240 I244 V245	A240-T242 PolarHBondContact O-N 2.82Å; T242-I244 PolarHBondContact O-N 2.82Å; T242-I244 PolarHBondContact OG1-N 2.87Å; T242-V245 PolarHBondContact N-O 2.79Å; T242-V245 PolarHBondContact OG1-N 3.29Å; T242-V245 PolarHBondContact OG1-O 3.04Å
243	S	77.9	Confident	86.7	Confident	127 Å²	127	65.3 Å²	65.3	89%	0.888	34%	0.34	S	S	*	.	S	Bend	trans	-65.6	-18.3	173.3	54.4	0	0	0	0	114.1
244	I	78.4	Confident	86.4	Confident	126 Å²	126	71.4 Å²	71.4	65%	0.646	36%	0.356	S	S	*	.	S	Bend	trans	-106.3	-34.3	-176.8	-58.5	171.2	0	0	0	111.1	T242	T242-I244 PolarHBondContact O-N 2.82Å; T242-I244 PolarHBondContact OG1-N 2.87Å
245	V	83.3	Confident	86.1	Confident	6 Å²	6	70.5 Å²	70.5	4%	0.036	35%	0.351	C	S	.	.			trans	-124.4	118.2	-173.4	178.8	0	0	0	0	109.4	R227 T241 T242 E258 N260	R227-V245 HydrophobicContact CB-CG1 4.39Å; T241-V245 CarbonylContact C-O 3.57Å; T241-V245 WeakPolarHBondContact CA-O 3.17Å; T242-V245 PolarHBondContact N-O 2.79Å; T242-V245 PolarHBondContact OG1-N 3.29Å; T242-V245 PolarHBondContact OG1-O 3.04Å; V245-E258 HydrophobicContact CG1-CG 4.09Å; V245-E258 WeakPolarHBondContact CG1-OE2 3.36Å; V245-N260 VanDerWaalsContact CA-OD1 3.26Å; V245-N260 WeakPolarHBondContact CA-OD1 3.15Å
246	R	87.1	Confident	85.8	Confident	125 Å²	125	63.9 Å²	63.9	47%	0.472	32%	0.32	S	S	.	.			trans	-99.7	118.2	173.6	-173.5	175.1	-174.7	126.8	-2.4	109.4	T241 S259 N260 H265	T241-R246 HydrophobicContact CG2-CG 4.33Å; R246-S259 PolarHBondContact O-N 3.09Å; R246-N260 PolarHBondContact N-OD1 2.84Å; R246-H265 VanDerWaalsContact CZ-NE2 3.31Å; R246-H265 PolarHBondContact NE-CD2 2.76Å; R246-H265 PolarHBondContact NE-CE1 2.71Å; R246-H265 PolarHBondContact NE-NE2 2.92Å; R246-H265 PolarHBondContact NH2-CD2 2.98Å; R246-H265 PolarHBondContact NH2-NE2 3.16Å
247	C	88.5	Confident	85.5	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.054	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.4	175	-60.1	0	0	0	0	109.7	C228 C237 A240 T241 I257	C228-C247 HydrophobicContact CB-CB 3.85Å; C228-C247 WeakPolarHBondContact CB-SG 3.28Å; C228-C247 WeakPolarHBondContact SG-CA 3.17Å; C228-C247 WeakPolarHBondContact SG-CB 3.49Å; C228-C247 CovalentContact SG-SG 2.04Å; C228-C247 PolarHBondContact SG-SG 2.77Å; C237-C247 VanDerWaalsContact O-CB 3.31Å; C237-C247 WeakPolarHBondContact O-CB 3.17Å; A240-C247 HydrophobicContact CB-CB 4.34Å; T241-C247 PolarHBondContact OG1-N 3.44Å; T241-C247 PolarHBondContact OG1-O 2.77Å; C247-I257 WeakPolarHBondContact CA-O 3.47Å
248	F	89.2	Confident	85.2	Confident	18 Å²	18	62.2 Å²	62.2	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.6	168.9	81.1	-80.4	0	0	0	110.4	C237 C250 I257 K268 V269 C272	C237-F248 PolarHBondContact SG-O 2.9Å; F248-C250 HydrophobicContact CE2-CB 4.34Å; F248-I257 HydrophobicContact CD1-CB 4.39Å; F248-I257 WeakPolarHBondContact CD1-O 3.19Å; F248-I257 HydrophobicContact CE1-CB 3.83Å; F248-I257 HydrophobicContact CE1-CG2 3.75Å; F248-I257 HydrophobicContact CZ-CB 4.13Å; F248-I257 HydrophobicContact CZ-CD1 4.4Å; F248-I257 HydrophobicContact CZ-CG2 4.2Å; F248-I257 PolarHBondContact N-O 2.8Å; F248-I257 PolarHBondContact O-N 2.86Å; F248-K268 HydrophobicContact CE1-CB 3.9Å; F248-K268 HydrophobicContact CZ-CB 3.78Å; F248-K268 WeakPolarHBondContact CZ-O 3.4Å; F248-V269 HydrophobicContact CB-CG2 4.48Å; F248-V269 HydrophobicContact CD1-CG2 4.45Å; F248-V269 HydrophobicContact CD2-CG2 3.79Å; F248-V269 HydrophobicContact CE2-CG2 4.12Å; F248-V269 HydrophobicContact CG-CG2 3.97Å; F248-C272 HydrophobicContact CE2-CB 3.83Å; F248-C272 HydrophobicContact CZ-CB 4.44Å
249	W	90	Very high	85	Confident	36 Å²	36	56.6 Å²	56.6	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.9	179.8	-175.6	-101.7	0	0	0	110.8	N232 T233 S234 C237 E251 R254 C256	N232-W249 VanDerWaalsContact C-CH2 3.47Å; N232-W249 VanDerWaalsContact O-CH2 3.27Å; N232-W249 WeakPolarHBondContact O-CH2 3.41Å; T233-W249 VanDerWaalsContact C-CZ3 3.42Å; S234-W249 VanDerWaalsContact CA-CD2 3.45Å; C237-W249 HydrophobicContact CB-CB 4.37Å; C237-W249 HydrophobicContact CB-CE3 3.83Å; W249-E251 VanDerWaalsContact NE1-CD 3.28Å; W249-E251 PolarHBondContact NE1-OE1 3.24Å; W249-E251 PolarHBondContact NE1-OE2 3.39Å; W249-R254 HydrophobicContact CH2-CB 4.44Å; W249-R254 WeakPolarHBondContact CH2-O 3.32Å; W249-R254 VanDerWaalsContact CZ2-C 3.44Å; W249-R254 HydrophobicContact CZ2-CB 3.96Å; W249-C256 HydrophobicContact CE3-CB 4.07Å; W249-C256 HydrophobicContact CZ3-CB 4.28Å
250	C	87.7	Confident	84.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	107.8	174.5	-176	0	0	0	0	109.5	F248 R252 E253 R254 A255 I257 C272	F248-C250 HydrophobicContact CE2-CB 4.34Å; C250-R252 VanDerWaalsContact C-N 3.28Å; C250-R252 PolarHBondContact O-N 3.1Å; C250-E253 PolarHBondContact O-N 2.89Å; C250-R254 WeakPolarHBondContact O-CA 3.41Å; C250-R254 PolarHBondContact O-N 2.71Å; C250-A255 PolarHBondContact N-O 3.43Å; C250-A255 PolarHBondContact O-N 2.92Å; C250-I257 HydrophobicContact CB-CD1 3.17Å; C250-C272 HydrophobicContact CB-CB 3.59Å; C250-C272 WeakPolarHBondContact CB-SG 3.35Å; C250-C272 VanDerWaalsContact SG-CA 3.56Å; C250-C272 WeakPolarHBondContact SG-CB 3.28Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 3.47Å
251	E	86.5	Confident	84.1	Confident	104 Å²	104	54.2 Å²	54.2	49%	0.486	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34	-176.5	-67.8	-62.7	171.3	0	0	112.4	W249 E253 R254 V274	W249-E251 VanDerWaalsContact NE1-CD 3.28Å; W249-E251 PolarHBondContact NE1-OE1 3.24Å; W249-E251 PolarHBondContact NE1-OE2 3.39Å; E251-E253 PolarHBondContact O-N 3.05Å; E251-R254 PolarHBondContact O-N 2.89Å; E251-V274 HydrophobicContact CB-CG2 4.11Å
252	R	82.4	Confident	83.7	Confident	88 Å²	88	59.4 Å²	59.4	33%	0.332	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-45.3	177.6	-168.8	171.9	-64.7	-161.6	0	112.3	I42 C250 C272 R273	I42-R252 WeakPolarHBondContact O-CD 3.36Å; I42-R252 PolarHBondContact O-NH1 3.44Å; C250-R252 VanDerWaalsContact C-N 3.28Å; C250-R252 PolarHBondContact O-N 3.1Å; R252-C272 PolarHBondContact N-O 2.83Å; R252-R273 PolarHBondContact NH2-O 2.9Å
253	E	78.5	Confident	83.6	Confident	50 Å²	50	62.2 Å²	62.2	23%	0.234	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-8.7	-178.1	-64.3	-50.6	131.1	0	0	114.4	I40 I42 F52 C250 E251 A255	I40-E253 VanDerWaalsContact CG2-CD 3.49Å; I40-E253 HydrophobicContact CG2-CG 4.48Å; I40-E253 VanDerWaalsContact CG2-OE2 3.26Å; I40-E253 WeakPolarHBondContact CG2-OE2 3.48Å; I42-E253 HydrophobicContact CD1-CG 3.27Å; I42-E253 WeakPolarHBondContact CD1-OE1 3.38Å; F52-E253 HydrophobicContact CE2-CG 4.31Å; C250-E253 PolarHBondContact O-N 2.89Å; E251-E253 PolarHBondContact O-N 3.05Å; E253-A255 HydrophobicContact CB-CB 3.96Å; E253-A255 PolarHBondContact O-N 2.93Å
254	R	84.1	Confident	83.8	Confident	184 Å²	184	56.6 Å²	56.6	69%	0.694	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42.7	-169.6	-58.3	179.3	172.2	177.7	-1.5	111.7	W249 C250 E251	W249-R254 HydrophobicContact CH2-CB 4.44Å; W249-R254 WeakPolarHBondContact CH2-O 3.32Å; W249-R254 VanDerWaalsContact CZ2-C 3.44Å; W249-R254 HydrophobicContact CZ2-CB 3.96Å; C250-R254 WeakPolarHBondContact O-CA 3.41Å; C250-R254 PolarHBondContact O-N 2.71Å; E251-R254 PolarHBondContact O-N 2.89Å
255	A	84.2	Confident	84.2	Confident	14 Å²	14	52.1 Å²	52.1	12%	0.116	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.6	-175.6	0	0	0	0	0	110.8	C250 E253	C250-A255 PolarHBondContact N-O 3.43Å; C250-A255 PolarHBondContact O-N 2.92Å; E253-A255 HydrophobicContact CB-CB 3.96Å; E253-A255 PolarHBondContact O-N 2.93Å
256	C	85	Confident	84.2	Confident	1 Å²	1	59 Å²	59	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.1	175.7	-175.1	0	0	0	0	110.8	C228 L229 Y231 C237 W249	C228-C256 CarbonylContact C-O 3.58Å; C228-C256 HydrophobicContact CB-CB 4.5Å; C228-C256 WeakPolarHBondContact O-CB 3.46Å; C228-C256 PolarHBondContact O-SG 2.84Å; C228-C256 VanDerWaalsContact O-SG 3.33Å; L229-C256 WeakPolarHBondContact CD2-O 3.38Å; L229-C256 PolarHBondContact N-O 2.81Å; Y231-C256 VanDerWaalsContact O-CB 3.22Å; Y231-C256 WeakPolarHBondContact O-CB 3.2Å; C237-C256 WeakPolarHBondContact CA-SG 3.33Å; C237-C256 HydrophobicContact CB-CB 3.52Å; C237-C256 WeakPolarHBondContact CB-SG 3.38Å; C237-C256 WeakPolarHBondContact SG-CA 3.36Å; C237-C256 WeakPolarHBondContact SG-CB 3.19Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.81Å; W249-C256 HydrophobicContact CE3-CB 4.07Å; W249-C256 HydrophobicContact CZ3-CB 4.28Å
257	I	85.8	Confident	84.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.5	-173.7	-67.8	130.3	0	0	0	111.1	F52 C247 F248 C250	F52-I257 HydrophobicContact CE2-CD1 3.49Å; F52-I257 VanDerWaalsContact CE2-CD1 3.49Å; F52-I257 HydrophobicContact CE2-CG1 3.8Å; F52-I257 HydrophobicContact CZ-CD1 3.55Å; F52-I257 HydrophobicContact CZ-CG1 3.77Å; F52-I257 HydrophobicContact CZ-CG2 4.25Å; C247-I257 WeakPolarHBondContact CA-O 3.47Å; F248-I257 HydrophobicContact CD1-CB 4.39Å; F248-I257 WeakPolarHBondContact CD1-O 3.19Å; F248-I257 HydrophobicContact CE1-CB 3.83Å; F248-I257 HydrophobicContact CE1-CG2 3.75Å; F248-I257 HydrophobicContact CZ-CB 4.13Å; F248-I257 HydrophobicContact CZ-CD1 4.4Å; F248-I257 HydrophobicContact CZ-CG2 4.2Å; F248-I257 PolarHBondContact N-O 2.8Å; F248-I257 PolarHBondContact O-N 2.86Å; C250-I257 HydrophobicContact CB-CD1 3.17Å
258	E	84	Confident	83.9	Confident	18 Å²	18	56.4 Å²	56.4	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.6	172.2	-170.1	176.6	99.9	0	0	111.3	R225 C228 V245 N260	R225-E258 WeakPolarHBondContact CB-OE1 3.37Å; R225-E258 WeakPolarHBondContact CB-OE2 3.32Å; R225-E258 VanDerWaalsContact CD-OE1 3.24Å; R225-E258 WeakPolarHBondContact CD-OE1 3.08Å; R225-E258 VanDerWaalsContact CG-OE1 3.3Å; R225-E258 WeakPolarHBondContact CG-OE1 3.48Å; R225-E258 IonicContact NE-OE1 3.83Å; C228-E258 HydrophobicContact CB-CB 4.24Å; C228-E258 VanDerWaalsContact SG-CA 3.53Å; V245-E258 HydrophobicContact CG1-CG 4.09Å; V245-E258 WeakPolarHBondContact CG1-OE2 3.36Å; E258-N260 WeakPolarHBondContact CG-ND2 2.99Å; E258-N260 PolarHBondContact OE1-ND2 2.8Å
259	S	84.9	Confident	83.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	26%	0.263	C	S	.	.			trans	-141	62	-176.5	-175.8	0	0	0	0	111.8	R246 H265	R246-S259 PolarHBondContact O-N 3.09Å; S259-H265 WeakPolarHBondContact CB-ND1 3.45Å; S259-H265 WeakPolarHBondContact OG-CA 3.34Å; S259-H265 WeakPolarHBondContact OG-CB 3.13Å; S259-H265 PolarHBondContact OG-ND1 2.83Å
260	N	79.3	Confident	83.6	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	27%	0.269	S	S	.	.			trans	-75.1	-28.6	-176.4	-68.3	-21	0	0	0	114.4	V245 R246 E258 Q262	V245-N260 VanDerWaalsContact CA-OD1 3.26Å; V245-N260 WeakPolarHBondContact CA-OD1 3.15Å; R246-N260 PolarHBondContact N-OD1 2.84Å; E258-N260 WeakPolarHBondContact CG-ND2 2.99Å; E258-N260 PolarHBondContact OE1-ND2 2.8Å; N260-Q262 PolarHBondContact O-N 3.3Å
261	D	78.6	Confident	83.5	Confident	30 Å²	30	58.5 Å²	58.5	16%	0.16	27%	0.273	C	S	.	.			trans	-74.7	116.4	175.8	-172.5	-23.8	0	0	0	109.7	N263 T264 H265	D261-N263 VanDerWaalsContact C-N 3.26Å; D261-N263 PolarHBondContact O-N 2.78Å; D261-N263 VanDerWaalsContact OD1-CB 3.29Å; D261-N263 WeakPolarHBondContact OD1-CB 3.48Å; D261-N263 PolarHBondContact OD1-N 2.94Å; D261-T264 WeakPolarHBondContact CB-OG1 3.23Å; D261-T264 PolarHBondContact O-N 2.8Å; D261-H265 WeakPolarHBondContact O-CB 3.3Å; D261-H265 PolarHBondContact O-N 2.78Å
262	Q	79	Confident	83.5	Confident	173 Å²	173	53.8 Å²	53.8	81%	0.808	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-33.5	179.6	-67.6	-172.8	-10.4	0	0	112.3	N260 T264	N260-Q262 PolarHBondContact O-N 3.3Å; Q262-T264 VanDerWaalsContact C-N 3.31Å; Q262-T264 PolarHBondContact O-N 3.1Å
263	N	81.4	Confident	83.5	Confident	140 Å²	140	56.6 Å²	56.6	75%	0.749	26%	0.262	S	S	*	.	H	α-helix	trans	-71.2	-30.8	-177.8	-60.7	-39.3	0	0	0	111.5	D261	D261-N263 VanDerWaalsContact C-N 3.26Å; D261-N263 PolarHBondContact O-N 2.78Å; D261-N263 VanDerWaalsContact OD1-CB 3.29Å; D261-N263 WeakPolarHBondContact OD1-CB 3.48Å; D261-N263 PolarHBondContact OD1-N 2.94Å
264	T	82.4	Confident	83.3	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-102.4	-9	-178.3	72.1	0	0	0	0	113.3	R59 E222 D261 Q262 Y266 L267 K268	R59-T264 VanDerWaalsContact NH1-CG2 3.34Å; E222-T264 WeakPolarHBondContact OE1-CG2 3.35Å; D261-T264 WeakPolarHBondContact CB-OG1 3.23Å; D261-T264 PolarHBondContact O-N 2.8Å; Q262-T264 VanDerWaalsContact C-N 3.31Å; Q262-T264 PolarHBondContact O-N 3.1Å; T264-Y266 PolarHBondContact O-N 2.99Å; T264-L267 WeakPolarHBondContact O-CB 3.46Å; T264-L267 PolarHBondContact O-N 2.78Å; T264-K268 WeakPolarHBondContact O-CG 3.46Å; T264-K268 PolarHBondContact O-N 2.87Å
265	H	85.5	Confident	82.5	Confident	33 Å²	33	57.7 Å²	57.7	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-51.1	-178.3	176.6	58	0	0	0	113.7	R246 S259 D261 L267 K268 V269	R246-H265 VanDerWaalsContact CZ-NE2 3.31Å; R246-H265 PolarHBondContact NE-CD2 2.76Å; R246-H265 PolarHBondContact NE-CE1 2.71Å; R246-H265 PolarHBondContact NE-NE2 2.92Å; R246-H265 PolarHBondContact NH2-CD2 2.98Å; R246-H265 PolarHBondContact NH2-NE2 3.16Å; S259-H265 WeakPolarHBondContact CB-ND1 3.45Å; S259-H265 WeakPolarHBondContact OG-CA 3.34Å; S259-H265 WeakPolarHBondContact OG-CB 3.13Å; S259-H265 PolarHBondContact OG-ND1 2.83Å; D261-H265 WeakPolarHBondContact O-CB 3.3Å; D261-H265 PolarHBondContact O-N 2.78Å; H265-L267 VanDerWaalsContact C-N 3.3Å; H265-L267 PolarHBondContact O-N 2.89Å; H265-K268 PolarHBondContact O-N 3.4Å; H265-V269 VanDerWaalsContact CE1-CG2 3.41Å; H265-V269 WeakPolarHBondContact CE1-CG2 3.31Å; H265-V269 WeakPolarHBondContact O-CG2 3.48Å; H265-V269 PolarHBondContact O-N 2.92Å
266	Y	84.9	Confident	81.2	Confident	151 Å²	151	65.7 Å²	65.7	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-61.3	-40.5	-179.7	176.1	-99.3	0	0	0	111.9	T264 V269 N270	T264-Y266 PolarHBondContact O-N 2.99Å; Y266-V269 PolarHBondContact O-N 2.85Å; Y266-N270 WeakPolarHBondContact CE1-ND2 3.48Å; Y266-N270 PolarHBondContact O-N 3.31Å; Y266-N270 PolarHBondContact OH-ND2 2.66Å
267	L	84.7	Confident	79.2	Confident	67 Å²	67	71 Å²	71	35%	0.351	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-50.7	176.6	-65.7	171.4	0	0	0	110.9	T264 H265 V269 N270 D271	T264-L267 WeakPolarHBondContact O-CB 3.46Å; T264-L267 PolarHBondContact O-N 2.78Å; H265-L267 VanDerWaalsContact C-N 3.3Å; H265-L267 PolarHBondContact O-N 2.89Å; L267-V269 VanDerWaalsContact C-N 3.3Å; L267-V269 PolarHBondContact O-N 2.77Å; L267-N270 PolarHBondContact O-N 3Å; L267-N270 VanDerWaalsContact O-N 3.1Å; L267-D271 PolarHBondContact O-N 3.34Å
268	K	84.9	Confident	77.4	Confident	10 Å²	10	76 Å²	76	4%	0.043	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-40.8	178.6	-69.1	-175.7	-179.6	-174.2	0	112.6	Y50 E222 F248 T264 H265 C272	Y50-K268 WeakPolarHBondContact OH-CD 3.34Å; Y50-K268 WeakPolarHBondContact OH-CE 3.2Å; Y50-K268 WeakPolarHBondContact OH-CG 2.95Å; E222-K268 VanDerWaalsContact OE2-CE 3.23Å; E222-K268 WeakPolarHBondContact OE2-CE 3.19Å; E222-K268 IonicContact OE2-NZ 2.61Å; E222-K268 PolarHBondContact OE2-NZ 2.83Å; F248-K268 HydrophobicContact CE1-CB 3.9Å; F248-K268 HydrophobicContact CZ-CB 3.78Å; F248-K268 WeakPolarHBondContact CZ-O 3.4Å; T264-K268 WeakPolarHBondContact O-CG 3.46Å; T264-K268 PolarHBondContact O-N 2.87Å; H265-K268 PolarHBondContact O-N 3.4Å; K268-C272 WeakPolarHBondContact O-CB 3.16Å; K268-C272 PolarHBondContact O-N 3.5Å
269	V	86.1	Confident	75.4	Confident	34 Å²	34	81.9 Å²	81.9	21%	0.206	41%	0.409	C	S	.	.	H	α-helix	trans	-63.3	-44.7	176.9	170.1	0	0	0	0	110.8	F248 H265 Y266 L267 C272 R273	F248-V269 HydrophobicContact CB-CG2 4.48Å; F248-V269 HydrophobicContact CD1-CG2 4.45Å; F248-V269 HydrophobicContact CD2-CG2 3.79Å; F248-V269 HydrophobicContact CE2-CG2 4.12Å; F248-V269 HydrophobicContact CG-CG2 3.97Å; H265-V269 VanDerWaalsContact CE1-CG2 3.41Å; H265-V269 WeakPolarHBondContact CE1-CG2 3.31Å; H265-V269 WeakPolarHBondContact O-CG2 3.48Å; H265-V269 PolarHBondContact O-N 2.92Å; Y266-V269 PolarHBondContact O-N 2.85Å; L267-V269 VanDerWaalsContact C-N 3.3Å; L267-V269 PolarHBondContact O-N 2.77Å; V269-C272 PolarHBondContact O-N 3.34Å; V269-R273 PolarHBondContact O-N 2.78Å
270	N	86	Confident	73.1	Confident	50 Å²	50	86 Å²	86	27%	0.267	44%	0.443	S	S	.	.	H	α-helix	trans	-66.5	-42.9	179	-76.4	-9.6	0	0	0	112.5	Y266 L267 C272 R273	Y266-N270 WeakPolarHBondContact CE1-ND2 3.48Å; Y266-N270 PolarHBondContact O-N 3.31Å; Y266-N270 PolarHBondContact OH-ND2 2.66Å; L267-N270 PolarHBondContact O-N 3Å; L267-N270 VanDerWaalsContact O-N 3.1Å; N270-C272 PolarHBondContact O-N 3.28Å; N270-C272 VanDerWaalsContact O-N 3.13Å; N270-R273 PolarHBondContact O-N 2.76Å; N270-R273 VanDerWaalsContact O-N 3.09Å
271	D	85.6	Confident	70.9	Confident	15 Å²	15	89.9 Å²	89.9	8%	0.08	46%	0.464	C	S	.	.	H	α-helix	trans	-57.7	-29.2	178.1	-65.5	-22.8	0	0	0	112.1	I42 I43 Y48 Y50 L267	I42-D271 WeakPolarHBondContact CG2-O 3.27Å; I43-D271 HydrophobicContact CG2-CB 4.04Å; Y48-D271 WeakPolarHBondContact CE1-OD1 2.96Å; Y48-D271 PolarHBondContact OH-OD1 2.83Å; Y48-D271 PolarHBondContact OH-OD2 3.3Å; Y50-D271 HydrophobicContact CD1-CB 3.93Å; Y50-D271 HydrophobicContact CE1-CB 4.47Å; L267-D271 PolarHBondContact O-N 3.34Å
272	C	85.5	Confident	68.8	Low	4 Å²	4	95.6 Å²	95.6	3%	0.027	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5	-177.9	-89.6	0	0	0	0	115.3	F248 C250 R252 K268 V269 N270	F248-C272 HydrophobicContact CE2-CB 3.83Å; F248-C272 HydrophobicContact CZ-CB 4.44Å; C250-C272 HydrophobicContact CB-CB 3.59Å; C250-C272 WeakPolarHBondContact CB-SG 3.35Å; C250-C272 VanDerWaalsContact SG-CA 3.56Å; C250-C272 WeakPolarHBondContact SG-CB 3.28Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 3.47Å; R252-C272 PolarHBondContact N-O 2.83Å; K268-C272 WeakPolarHBondContact O-CB 3.16Å; K268-C272 PolarHBondContact O-N 3.5Å; V269-C272 PolarHBondContact O-N 3.34Å; N270-C272 PolarHBondContact O-N 3.28Å; N270-C272 VanDerWaalsContact O-N 3.13Å
273	R	83	Confident	66.5	Low	147 Å²	147	95.3 Å²	95.3	56%	0.555	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-71.8	139.9	175.6	-71.3	178.3	-178.8	180	-0.3	109.7	R252 V269 N270	R252-R273 PolarHBondContact NH2-O 2.9Å; V269-R273 PolarHBondContact O-N 2.78Å; N270-R273 PolarHBondContact O-N 2.76Å; N270-R273 VanDerWaalsContact O-N 3.09Å
274	V	74.3	Confident	64.2	Low	92 Å²	92	96.6 Å²	96.6	56%	0.558	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-79.8	124.3	162.2	-176.6	0	0	0	0	105.6	E251 E276	E251-V274 HydrophobicContact CB-CG2 4.11Å; V274-E276 PolarHBondContact O-N 2.96Å
275	E	68.3	Low	61.7	Low	166 Å²	166	100.9 Å²	100.9	78%	0.776	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-62.9	120.5	169.6	-69.6	-177.1	176.3	0	0	107.4	N277	E275-N277 PolarHBondContact O-N 2.8Å; E275-N277 VanDerWaalsContact O-N 3.16Å
276	E	55.7	Low	59.2	Low	182 Å²	182	105 Å²	105	85%	0.85	57%	0.567	S	S	*	*			trans	-66.2	114.8	166.7	-70.2	-172.4	172	0	0	106.6	V274 P278	V274-E276 PolarHBondContact O-N 2.96Å; E276-P278 WeakPolarHBondContact O-CD 3.06Å; E276-P278 VanDerWaalsContact O-N 3.11Å
277	N	43.3	Very low	56.5	Low	112 Å²	112	103.6 Å²	103.6	60%	0.599	57%	0.574	S	S	*	*			trans	-59.5	116.7	174.4	-165.1	10.2	0	0	0	107.7	E275 D279 A280	E275-N277 PolarHBondContact O-N 2.8Å; E275-N277 VanDerWaalsContact O-N 3.16Å; N277-D279 PolarHBondContact O-N 3.34Å; N277-A280 PolarHBondContact O-N 2.62Å; N277-A280 VanDerWaalsContact O-N 3.17Å
278	P	47.2	Very low	53.8	Low	108 Å²	108	106.7 Å²	106.7	70%	0.701	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-18.5	-179.1	-20.5	32.2	0	0	0	112.7	E276 A280	E276-P278 WeakPolarHBondContact O-CD 3.06Å; E276-P278 VanDerWaalsContact O-N 3.11Å; P278-A280 VanDerWaalsContact C-N 3.26Å; P278-A280 PolarHBondContact O-N 3.18Å
279	D	41.9	Very low	51.1	Low	141 Å²	141	114.1 Å²	114.1	75%	0.754	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	19.7	179.4	-66.6	-26.6	0	0	0	114.1	N277 N281	N277-D279 PolarHBondContact O-N 3.34Å; D279-N281 VanDerWaalsContact C-N 3.27Å
280	A	37	Very low	48.3	Very low	87 Å²	87	122 Å²	122	72%	0.719	66%	0.664	S	S	*	*			trans	-95.6	37.8	162.6	0	0	0	0	0	111.8	N277 P278	N277-A280 PolarHBondContact O-N 2.62Å; N277-A280 VanDerWaalsContact O-N 3.17Å; P278-A280 VanDerWaalsContact C-N 3.26Å; P278-A280 PolarHBondContact O-N 3.18Å
281	N	33.6	Very low	45.7	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	69%	0.689	S	S	*	*	S	Bend	trans	-108	129.8	155.1	-88.2	-27.8	0	0	0	108	D279	D279-N281 VanDerWaalsContact C-N 3.27Å
282	D	33.8	Very low	42.8	Very low	150 Å²	150	132 Å²	132	80%	0.802	72%	0.72	S	S	*	*	S	Bend	trans	73	87.8	174.6	-58.4	-30.2	0	0	0	117.1
283	L	31.7	Very low	40.3	Very low	166 Å²	166	140 Å²	140	87%	0.869	76%	0.757	S	S	*	*				-174.2	108	108	-93.7	155.5	0	0	0	111.1	S285	L283-S285 PolarHBondContact O-N 3.01Å; L283-S285 VanDerWaalsContact O-N 3.12Å
284	N	31.9	Very low	37.7	Very low	167 Å²	167	138.2 Å²	138.2	89%	0.893	77%	0.767	S	S	*	*			trans	-51.5	108.7	154	-125.4	3.6	0	0	0	109.1
285	S	31.2	Very low	35.5	Very low	99 Å²	99	138 Å²	138	69%	0.692	77%	0.765	S	S	*	*			trans	174.9	135.3	135	55.9	0	0	0	0	110.6	L283 T287	L283-S285 PolarHBondContact O-N 3.01Å; L283-S285 VanDerWaalsContact O-N 3.12Å; S285-T287 PolarHBondContact O-N 2.73Å
286	S	31.7	Very low	33.7	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	76%	0.758	S	S	*	*			trans	-56.1	121.5	175.5	64.3	0	0	0	0	111
287	T	30.1	Very low	32.2	Very low	122 Å²	122	135.5 Å²	135.5	75%	0.748	75%	0.754	S	S	*	*			trans	-141.7	111.3	150.6	-57.3	0	0	0	0	108.6	S285 M289	S285-T287 PolarHBondContact O-N 2.73Å; T287-M289 PolarHBondContact O-N 2.89Å
288	T	27.1	Very low	31.9	Very low	132 Å²	132	139.2 Å²	139.2	81%	0.81	77%	0.765	S	S	*	*			trans	-48.6	104.3	171.5	-52.7	0	0	0	0	111.1
289	M	27.9	Very low	31	Very low	166 Å²	166	143 Å²	143	82%	0.818	77%	0.773	S	S	*	*			trans	-95.3	113	161.1	-79.8	-136.8	-67	0	0	109.3	T287 H291	T287-M289 PolarHBondContact O-N 2.89Å; M289-H291 PolarHBondContact O-N 3.42Å; M289-H291 VanDerWaalsContact O-N 3.14Å
290	K	26.5	Very low	30.5	Very low	199 Å²	199	143.6 Å²	143.6	87%	0.865	78%	0.776	S	S	*	*			trans	-58.2	106.1	166.2	-71.5	173.4	173	178.2	0	108.3	S292	K290-S292 PolarHBondContact O-N 3.35Å
291	H	31.8	Very low	30.1	Very low	171 Å²	171	147.3 Å²	147.3	79%	0.792	78%	0.784	S	S	*	*			trans	-80.5	116.4	159.4	-107.8	-54.5	0	0	0	108.1	M289 E293	M289-H291 PolarHBondContact O-N 3.42Å; M289-H291 VanDerWaalsContact O-N 3.14Å; H291-E293 PolarHBondContact O-N 3.3Å
292	S	26.2	Very low	29.8	Very low	104 Å²	104	147.1 Å²	147.1	73%	0.727	79%	0.792	S	S	*	*			trans	-55.3	102.9	170.1	49	0	0	0	0	109.9	K290 S294	K290-S292 PolarHBondContact O-N 3.35Å; S292-S294 PolarHBondContact O-N 3.02Å; S292-S294 VanDerWaalsContact O-N 3.12Å
293	E	31.5	Very low	30	Very low	174 Å²	174	152 Å²	152	81%	0.813	82%	0.817	S	S	*	*			trans	-67.7	102.9	158.7	-76.3	175.5	164	0	0	107.1	H291 V295	H291-E293 PolarHBondContact O-N 3.3Å; E293-V295 HydrophobicContact CB-CG2 4.12Å; E293-V295 PolarHBondContact O-N 3.4Å
294	S	30	Very low	29.9	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	81%	0.814	S	S	*	*			trans	-66.8	86.3	157.4	47.1	0	0	0	0	107.2	S292 V296	S292-S294 PolarHBondContact O-N 3.02Å; S292-S294 VanDerWaalsContact O-N 3.12Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.67Å
295	V	27.6	Very low	29.8	Very low	87 Å²	87	150.4 Å²	150.4	53%	0.527	81%	0.81	S	S	.	*			trans	-69.4	91	167.2	-177.5	0	0	0	0	106.5	E293 Y297	E293-V295 HydrophobicContact CB-CG2 4.12Å; E293-V295 PolarHBondContact O-N 3.4Å; V295-Y297 HydrophobicContact CG1-CD2 4.23Å; V295-Y297 HydrophobicContact CG1-CE1 4.48Å; V295-Y297 HydrophobicContact CG1-CE2 4.04Å; V295-Y297 PolarHBondContact O-N 2.9Å
296	V	29.4	Very low	29.7	Very low	102 Å²	102	153.3 Å²	153.3	62%	0.618	82%	0.816	S	S	*	*			trans	-77.9	106.8	162.8	179.7	0	0	0	0	105.8	S294 F298	S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 2.67Å; V296-F298 HydrophobicContact CG1-CD2 4.12Å; V296-F298 HydrophobicContact CG1-CE2 3.7Å; V296-F298 HydrophobicContact CG1-CZ 4.24Å; V296-F298 PolarHBondContact O-N 2.5Å
297	Y	25.7	Very low	29.6	Very low	195 Å²	195	155.4 Å²	155.4	77%	0.765	82%	0.816	S	S	*	*			trans	-63.6	113.6	170.6	-67.6	-95.3	0	0	0	108	V295	V295-Y297 HydrophobicContact CG1-CD2 4.23Å; V295-Y297 HydrophobicContact CG1-CE1 4.48Å; V295-Y297 HydrophobicContact CG1-CE2 4.04Å; V295-Y297 PolarHBondContact O-N 2.9Å
298	F	35.3	Very low	29.6	Very low	190 Å²	190	157.4 Å²	157.4	83%	0.833	82%	0.82	S	S	*	*			trans	-98.1	111.3	152.2	-77.6	-78	0	0	0	106.2	V296	V296-F298 HydrophobicContact CG1-CD2 4.12Å; V296-F298 HydrophobicContact CG1-CE2 3.7Å; V296-F298 HydrophobicContact CG1-CZ 4.24Å; V296-F298 PolarHBondContact O-N 2.5Å
299	E	29.1	Very low	29.8	Very low	187 Å²	187	159.1 Å²	159.1	87%	0.874	82%	0.821	S	S	*	*			trans	-56.8	145.3	176.6	-82.2	173.2	141.5	0	0	111
300	D	31.1	Very low	29.9	Very low	153 Å²	153	158.6 Å²	158.6	82%	0.818	82%	0.821	S	S	*	*			trans	-52.1	127.4	176.8	-61.1	-64.1	0	0	0	112.2
301	D	29.8	Very low	30.2	Very low	165 Å²	165	155.5 Å²	155.5	88%	0.882	82%	0.818	S	S	*	*			trans	-154.6	85	146.5	-93.2	-28.1	0	0	0	109.4
302	C	27.1	Very low	30	Very low	134 Å²	134	154.3 Å²	154.3	91%	0.905	82%	0.82	S	S	*	*			trans	-143.8	78.2	162.4	-93.4	0	0	0	0	108.5
303	L	37.5	Very low	30.4	Very low	252 Å²	252	158.8 Å²	158.8	100%	1.319	83%	0.828	S	S	*	*			trans	-110.1	0	152.5	-89.8	167.8	0	0	0	108.5

Retrieved 303 of 303 residues in 209.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).