A0AA82N7Y3_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Y3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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	40.9	Very low	61.3	Low	183 Å²	183	118 Å²	118	90%	0.901	57%	0.573	S	S	*	*				0	112.2	0	-82.6	173	169.9	0	0	108.5	Y3	M1-Y3 HydrophobicContact CB-CD2 4.21Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 PolarHBondContact O-N 3.25Å; M1-Y3 HydrophobicContact SD-CE2 4.19Å
2	R	49	Very low	62.5	Low	239 Å²	239	116.2 Å²	116.2	90%	0.902	57%	0.567	S	S	*	*			trans	-73.3	101.8	163.2	-73.9	-178.1	177.8	177.5	-0.7	106	N4	R2-N4 VanDerWaalsContact C-N 3.34Å; R2-N4 PolarHBondContact O-N 3.07Å
3	Y	52.8	Low	63.5	Low	122 Å²	122	111.5 Å²	111.5	48%	0.478	55%	0.546	S	S	.	.			trans	-69.5	98.5	171.3	-95.3	-90.5	0	0	0	107.4	M1 F5 I353	M1-Y3 HydrophobicContact CB-CD2 4.21Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 PolarHBondContact O-N 3.25Å; M1-Y3 HydrophobicContact SD-CE2 4.19Å; Y3-F5 VanDerWaalsContact C-N 3.3Å; Y3-F5 PolarHBondContact O-N 3.17Å; Y3-I353 WeakPolarHBondContact OH-CG2 2.99Å
4	N	57.2	Low	64.4	Low	150 Å²	150	113.7 Å²	113.7	80%	0.802	55%	0.546	S	S	*	.			trans	-71.2	94	165.1	-72.6	-16.2	0	0	0	106.5	R2 S6	R2-N4 VanDerWaalsContact C-N 3.34Å; R2-N4 PolarHBondContact O-N 3.07Å; N4-S6 PolarHBondContact O-N 3.5Å
5	F	57.1	Low	65.1	Low	109 Å²	109	112.9 Å²	112.9	48%	0.478	55%	0.546	S	S	.	.			trans	-55.7	126.7	167.2	-78.3	-81.6	0	0	0	108.3	Y3 L9	Y3-F5 VanDerWaalsContact C-N 3.3Å; Y3-F5 PolarHBondContact O-N 3.17Å; F5-L9 HydrophobicContact CD1-CD2 3.97Å; F5-L9 HydrophobicContact CE1-CD2 4.26Å
6	S	65.8	Low	65.6	Low	63 Å²	63	114.4 Å²	114.4	44%	0.441	55%	0.549	S	S	.	.			trans	-54.4	139.8	174.6	171.4	0	0	0	0	109.6	N4 S8 L9 W10	N4-S6 PolarHBondContact O-N 3.5Å; S6-S8 PolarHBondContact O-N 2.96Å; S6-S8 PolarHBondContact OG-OG 3.45Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; S6-L9 PolarHBondContact O-N 3.23Å; S6-W10 PolarHBondContact O-N 3.07Å
7	P	70.7	Confident	65.6	Low	97 Å²	97	115.6 Å²	115.6	63%	0.63	55%	0.552	S	S	*	*	H	α-helix	trans	-50.5	-32.2	177.9	-27.7	34	0	0	0	113.7	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.46Å; P7-W10 WeakPolarHBondContact O-CB 3.36Å; P7-W10 PolarHBondContact O-N 3.49Å; P7-I11 WeakPolarHBondContact O-CG1 3.35Å; P7-I11 PolarHBondContact O-N 2.98Å
8	S	69.7	Low	65.4	Low	60 Å²	60	112.9 Å²	112.9	42%	0.42	54%	0.544	S	S	.	.	H	α-helix	trans	-60.2	-36.1	175.2	60.6	0	0	0	0	113.8	S6 I11 L12	S6-S8 PolarHBondContact O-N 2.96Å; S6-S8 PolarHBondContact OG-OG 3.45Å; S8-I11 PolarHBondContact O-N 3.06Å; S8-L12 PolarHBondContact O-N 3.36Å
9	L	64.6	Low	65	Low	51 Å²	51	117 Å²	117	27%	0.267	55%	0.553	S	S	.	*	H	α-helix	trans	-73.5	-37.7	179.2	-126.6	137.8	0	0	0	110.6	F5 S6 P7 L12 I13 L346	F5-L9 HydrophobicContact CD1-CD2 3.97Å; F5-L9 HydrophobicContact CE1-CD2 4.26Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; S6-L9 PolarHBondContact O-N 3.23Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 3.24Å; L9-I13 HydrophobicContact CD2-CD1 4.02Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.1Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 2.81Å; L9-L346 HydrophobicContact CD1-CD1 4.4Å
10	W	70.5	Confident	64.3	Low	122 Å²	122	113.7 Å²	113.7	46%	0.462	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-45.1	169.7	-75.7	102.6	0	0	0	111.3	S6 P7 L12 I13 Y14	S6-W10 PolarHBondContact O-N 3.07Å; P7-W10 WeakPolarHBondContact O-CB 3.36Å; P7-W10 PolarHBondContact O-N 3.49Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.85Å; W10-I13 PolarHBondContact O-N 3.48Å; W10-Y14 HydrophobicContact CB-CD2 4.23Å; W10-Y14 HydrophobicContact CB-CE2 4.3Å; W10-Y14 HydrophobicContact CE3-CD2 4.42Å; W10-Y14 AromaticContact CE3-CE2 3.77Å; W10-Y14 HydrophobicContact CE3-CE2 3.77Å; W10-Y14 WeakPolarHBondContact O-CB 3.44Å; W10-Y14 WeakPolarHBondContact O-CD2 3.27Å; W10-Y14 PolarHBondContact O-N 3.2Å
11	I	76.3	Confident	63.8	Low	102 Å²	102	115 Å²	115	52%	0.523	54%	0.539	S	S	.	.	H	α-helix	trans	-58.8	-45.4	177.5	-66.8	163.5	0	0	0	111	P7 S8 I13 Y14 L15	P7-I11 WeakPolarHBondContact O-CG1 3.35Å; P7-I11 PolarHBondContact O-N 2.98Å; S8-I11 PolarHBondContact O-N 3.06Å; I11-I13 PolarHBondContact O-N 2.92Å; I11-Y14 PolarHBondContact O-N 2.89Å; I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 HydrophobicContact CG2-CG 4.22Å; I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 WeakPolarHBondContact O-CG 3.25Å; I11-L15 PolarHBondContact O-N 3.26Å
12	L	75.8	Confident	64.4	Low	96 Å²	96	112.7 Å²	112.7	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-41.8	176.4	-78	166	0	0	0	112.5	S8 L9 W10 L15 F16	S8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.24Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-F16 WeakPolarHBondContact O-CB 3.19Å; L12-F16 PolarHBondContact O-N 3.48Å
13	I	75.8	Confident	64.7	Low	56 Å²	56	110.3 Å²	110.3	29%	0.287	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-47.2	176.5	-71.4	167.5	0	0	0	110.3	L9 W10 I11 F16 F17	L9-I13 HydrophobicContact CD2-CD1 4.02Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.1Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 2.81Å; W10-I13 PolarHBondContact O-N 3.48Å; I11-I13 PolarHBondContact O-N 2.92Å; I13-F16 PolarHBondContact O-N 3.21Å; I13-F17 HydrophobicContact CG2-CD2 3.48Å; I13-F17 VanDerWaalsContact CG2-CD2 3.48Å; I13-F17 HydrophobicContact CG2-CE2 3.34Å; I13-F17 WeakPolarHBondContact O-CD2 3.42Å; I13-F17 PolarHBondContact O-N 3Å
14	Y	75.1	Confident	64.7	Low	142 Å²	142	111 Å²	111	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-61.8	-44.3	175.1	-83.3	-69.7	0	0	0	111.5	W10 I11 F16 F17 V18	W10-Y14 HydrophobicContact CB-CD2 4.23Å; W10-Y14 HydrophobicContact CB-CE2 4.3Å; W10-Y14 HydrophobicContact CE3-CD2 4.42Å; W10-Y14 AromaticContact CE3-CE2 3.77Å; W10-Y14 HydrophobicContact CE3-CE2 3.77Å; W10-Y14 WeakPolarHBondContact O-CB 3.44Å; W10-Y14 WeakPolarHBondContact O-CD2 3.27Å; W10-Y14 PolarHBondContact O-N 3.2Å; I11-Y14 PolarHBondContact O-N 2.89Å; Y14-F16 VanDerWaalsContact C-N 3.31Å; Y14-F16 PolarHBondContact O-N 2.89Å; Y14-F17 PolarHBondContact O-N 2.86Å; Y14-V18 WeakPolarHBondContact O-CB 3.48Å; Y14-V18 WeakPolarHBondContact O-CG2 3.23Å; Y14-V18 PolarHBondContact O-N 3.24Å
15	L	75.3	Confident	64.5	Low	102 Å²	102	105.4 Å²	105.4	53%	0.534	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-41.4	175.7	-75.5	171.2	0	0	0	111.1	I11 L12 W19	I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 HydrophobicContact CG2-CG 4.22Å; I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 WeakPolarHBondContact O-CG 3.25Å; I11-L15 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.42Å; L15-W19 WeakPolarHBondContact O-CA 3.44Å; L15-W19 WeakPolarHBondContact O-CB 3.36Å; L15-W19 PolarHBondContact O-N 2.85Å
16	F	72.4	Confident	65.2	Low	136 Å²	136	103.7 Å²	103.7	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-46.8	175.4	-176.3	-96.3	0	0	0	111.8	L12 I13 Y14 N20	L12-F16 WeakPolarHBondContact O-CB 3.19Å; L12-F16 PolarHBondContact O-N 3.48Å; I13-F16 PolarHBondContact O-N 3.21Å; Y14-F16 VanDerWaalsContact C-N 3.31Å; Y14-F16 PolarHBondContact O-N 2.89Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.26Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.41Å; F16-N20 VanDerWaalsContact CZ-ND2 3.33Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.37Å; F16-N20 WeakPolarHBondContact O-CB 3.15Å; F16-N20 PolarHBondContact O-N 3.41Å; F16-N20 PolarHBondContact O-ND2 3.32Å
17	F	66.4	Low	65.9	Low	136 Å²	136	103.4 Å²	103.4	60%	0.596	49%	0.485	S	S	*	.	H	α-helix	trans	-66	-45.4	177.7	-78.1	-64.4	0	0	0	112.2	I13 Y14 N20 Y21	I13-F17 HydrophobicContact CG2-CD2 3.48Å; I13-F17 VanDerWaalsContact CG2-CD2 3.48Å; I13-F17 HydrophobicContact CG2-CE2 3.34Å; I13-F17 WeakPolarHBondContact O-CD2 3.42Å; I13-F17 PolarHBondContact O-N 3Å; Y14-F17 PolarHBondContact O-N 2.86Å; F17-N20 PolarHBondContact O-N 3.47Å; F17-Y21 WeakPolarHBondContact O-CB 3.27Å; F17-Y21 PolarHBondContact O-N 2.84Å
18	V	62.5	Low	66.7	Low	67 Å²	67	103.3 Å²	103.3	41%	0.406	48%	0.48	S	S	.	.	H	α-helix	trans	-65.9	-39.2	178	172.6	0	0	0	0	111.1	Y14 K22	Y14-V18 WeakPolarHBondContact O-CB 3.48Å; Y14-V18 WeakPolarHBondContact O-CG2 3.23Å; Y14-V18 PolarHBondContact O-N 3.24Å; V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 HydrophobicContact CG1-CG 4.34Å; V18-K22 VanDerWaalsContact O-CB 3.26Å; V18-K22 WeakPolarHBondContact O-CB 3.4Å; V18-K22 WeakPolarHBondContact O-CG 3.17Å; V18-K22 PolarHBondContact O-N 3.28Å
19	W	58.3	Low	67.7	Low	190 Å²	190	100.5 Å²	100.5	72%	0.72	46%	0.46	S	S	*	.	H	α-helix	trans	-64.4	-50.1	176.7	-174.1	-60.2	0	0	0	111.2	L15 K22 R23	L15-W19 WeakPolarHBondContact O-CA 3.44Å; L15-W19 WeakPolarHBondContact O-CB 3.36Å; L15-W19 PolarHBondContact O-N 2.85Å; W19-K22 PolarHBondContact O-N 2.85Å; W19-R23 WeakPolarHBondContact O-CB 3.35Å; W19-R23 PolarHBondContact O-N 3.26Å
20	N	50.3	Low	68.9	Low	50 Å²	50	99.4 Å²	99.4	27%	0.267	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.6	-75	-71.4	0	0	0	110.8	F16 F17 R23 F24	F16-N20 WeakPolarHBondContact CE1-ND2 3.26Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.41Å; F16-N20 VanDerWaalsContact CZ-ND2 3.33Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.37Å; F16-N20 WeakPolarHBondContact O-CB 3.15Å; F16-N20 PolarHBondContact O-N 3.41Å; F16-N20 PolarHBondContact O-ND2 3.32Å; F17-N20 PolarHBondContact O-N 3.47Å; N20-R23 WeakPolarHBondContact O-CB 3.31Å; N20-R23 PolarHBondContact O-N 3.02Å; N20-F24 WeakPolarHBondContact O-CD2 3.4Å; N20-F24 PolarHBondContact O-N 3.2Å
21	Y	54.6	Low	69.8	Low	142 Å²	142	101 Å²	101	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-59.3	-47	176.4	-179.6	-98	0	0	0	112.2	F17 R23 F24 N25	F17-Y21 WeakPolarHBondContact O-CB 3.27Å; F17-Y21 PolarHBondContact O-N 2.84Å; Y21-R23 VanDerWaalsContact C-N 3.35Å; Y21-R23 PolarHBondContact O-N 2.82Å; Y21-F24 PolarHBondContact O-N 3.29Å; Y21-N25 PolarHBondContact O-N 2.94Å; Y21-N25 VanDerWaalsContact O-N 3.15Å; Y21-N25 PolarHBondContact OH-ND2 3.3Å
22	K	53.3	Low	70.5	Confident	135 Å²	135	99.2 Å²	99.2	59%	0.587	46%	0.458	S	S	*	.	H	α-helix	trans	-57.8	-49.2	173.7	-82	-173.6	176.4	-172.8	0	110.1	V18 W19 F24 N25 C26	V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 HydrophobicContact CG1-CG 4.34Å; V18-K22 VanDerWaalsContact O-CB 3.26Å; V18-K22 WeakPolarHBondContact O-CB 3.4Å; V18-K22 WeakPolarHBondContact O-CG 3.17Å; V18-K22 PolarHBondContact O-N 3.28Å; W19-K22 PolarHBondContact O-N 2.85Å; K22-F24 VanDerWaalsContact C-N 3.27Å; K22-F24 PolarHBondContact O-N 3.48Å; K22-N25 CarbonylContact O-C 3.37Å; K22-N25 PolarHBondContact O-N 2.87Å; K22-N25 VanDerWaalsContact O-N 3.08Å; K22-C26 WeakPolarHBondContact O-CA 3.43Å; K22-C26 WeakPolarHBondContact O-CB 3.49Å; K22-C26 PolarHBondContact O-N 2.95Å; K22-C26 PolarHBondContact O-SG 2.91Å
23	R	55.2	Low	71	Confident	189 Å²	189	97.8 Å²	97.8	71%	0.713	45%	0.454	S	S	*	.	H	α-helix	trans	-57.3	-37.7	179.4	-169.1	179.2	-179.7	172.3	2.7	113.1	W19 N20 Y21	W19-R23 WeakPolarHBondContact O-CB 3.35Å; W19-R23 PolarHBondContact O-N 3.26Å; N20-R23 WeakPolarHBondContact O-CB 3.31Å; N20-R23 PolarHBondContact O-N 3.02Å; Y21-R23 VanDerWaalsContact C-N 3.35Å; Y21-R23 PolarHBondContact O-N 2.82Å
24	F	51	Low	71.7	Confident	137 Å²	137	101.3 Å²	101.3	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-69.5	-34.8	176.7	-79.2	-68.8	0	0	0	113.5	N20 Y21 K22	N20-F24 WeakPolarHBondContact O-CD2 3.4Å; N20-F24 PolarHBondContact O-N 3.2Å; Y21-F24 PolarHBondContact O-N 3.29Å; K22-F24 VanDerWaalsContact C-N 3.27Å; K22-F24 PolarHBondContact O-N 3.48Å
25	N	53.8	Low	72.5	Confident	31 Å²	31	96 Å²	96	17%	0.166	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	16.2	-179.5	-80.4	-20.4	0	0	0	113.6	Y21 K22 K31 E197	Y21-N25 PolarHBondContact O-N 2.94Å; Y21-N25 VanDerWaalsContact O-N 3.15Å; Y21-N25 PolarHBondContact OH-ND2 3.3Å; K22-N25 CarbonylContact O-C 3.37Å; K22-N25 PolarHBondContact O-N 2.87Å; K22-N25 VanDerWaalsContact O-N 3.08Å; N25-K31 WeakPolarHBondContact O-CE 3.35Å; N25-E197 PolarHBondContact ND2-OE2 3.34Å
26	C	71.3	Confident	73.3	Confident	74 Å²	74	92.8 Å²	92.8	50%	0.5	44%	0.437	S	S	.	.			trans	-74.2	-28.4	-175.2	-100.9	0	0	0	0	112.5	K22 D28	K22-C26 WeakPolarHBondContact O-CA 3.43Å; K22-C26 WeakPolarHBondContact O-CB 3.49Å; K22-C26 PolarHBondContact O-N 2.95Å; K22-C26 PolarHBondContact O-SG 2.91Å; C26-D28 PolarHBondContact O-N 3.29Å
27	N	81.4	Confident	74.2	Confident	56 Å²	56	92.9 Å²	92.9	30%	0.299	44%	0.439	S	S	.	.	S	Bend	trans	-77.1	125.2	-174.9	-66.6	1.2	0	0	0	110.1	I29 C30 I194	N27-I29 HydrophobicContact CB-CG2 4.03Å; N27-I29 PolarHBondContact O-N 3.03Å; N27-I29 VanDerWaalsContact O-N 3.12Å; N27-C30 VanDerWaalsContact O-CB 3.32Å; N27-C30 WeakPolarHBondContact O-CB 3.49Å; N27-C30 PolarHBondContact O-N 2.87Å; N27-I194 HydrophobicContact CB-CG2 4.13Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.31Å
28	D	86.8	Confident	75.5	Confident	96 Å²	96	89.6 Å²	89.6	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-56.4	-32.2	-177.6	-67.5	-33.9	0	0	0	113.1	C26 C30 K31 N32 L35 Y54	C26-D28 PolarHBondContact O-N 3.29Å; D28-C30 PolarHBondContact O-N 3.42Å; D28-K31 PolarHBondContact O-N 2.87Å; D28-N32 PolarHBondContact O-N 3.43Å; D28-L35 HydrophobicContact CB-CD1 3.75Å; D28-Y54 HydrophobicContact CB-CE2 4.42Å
29	I	90.1	Very high	77.1	Confident	0 Å²	0	90.7 Å²	90.7	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-60.5	-26	175.6	-166.6	165.6	0	0	0	113.7	N27 K31 N32 L35 E36 Y54 I194 K201 P203	N27-I29 HydrophobicContact CB-CG2 4.03Å; N27-I29 PolarHBondContact O-N 3.03Å; N27-I29 VanDerWaalsContact O-N 3.12Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.96Å; I29-N32 WeakPolarHBondContact CA-O 3.47Å; I29-N32 CarbonylContact O-C 3.52Å; I29-L35 HydrophobicContact CB-CB 4.22Å; I29-L35 HydrophobicContact CG1-CB 4.08Å; I29-E36 HydrophobicContact CD1-CB 4.05Å; I29-E36 HydrophobicContact CD1-CG 4.48Å; I29-Y54 HydrophobicContact CB-CD1 4.48Å; I29-Y54 HydrophobicContact CB-CE1 3.89Å; I29-Y54 HydrophobicContact CB-CE2 4.05Å; I29-Y54 HydrophobicContact CD1-CD1 4Å; I29-Y54 HydrophobicContact CD1-CE1 4.02Å; I29-Y54 HydrophobicContact CG2-CE1 3.93Å; I29-Y54 WeakPolarHBondContact CG2-OH 3.46Å; I29-I194 HydrophobicContact CG2-CB 4.47Å; I29-I194 HydrophobicContact CG2-CD1 3.83Å; I29-I194 HydrophobicContact CG2-CG2 4.01Å; I29-K201 HydrophobicContact CD1-CB 4.21Å; I29-K201 HydrophobicContact CG1-CB 4.27Å; I29-K201 HydrophobicContact CG1-CG 4.44Å; I29-K201 HydrophobicContact CG2-CB 4.49Å; I29-P203 HydrophobicContact CD1-CB 3.72Å; I29-P203 HydrophobicContact CD1-CG 3.98Å
30	C	90.7	Very high	78.8	Confident	29 Å²	29	83.5 Å²	83.5	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-71.3	-25.3	175.5	-62.9	0	0	0	0	112.1	N27 D28 C196	N27-C30 VanDerWaalsContact O-CB 3.32Å; N27-C30 WeakPolarHBondContact O-CB 3.49Å; N27-C30 PolarHBondContact O-N 2.87Å; D28-C30 PolarHBondContact O-N 3.42Å; C30-C196 WeakPolarHBondContact CA-SG 3.37Å; C30-C196 HydrophobicContact CB-CB 3.7Å; C30-C196 WeakPolarHBondContact CB-SG 3.38Å; C30-C196 WeakPolarHBondContact SG-CB 3.36Å; C30-C196 CovalentContact SG-SG 2.04Å; C30-C196 PolarHBondContact SG-SG 3.23Å
31	K	89.5	Confident	81	Confident	154 Å²	154	82.5 Å²	82.5	67%	0.67	40%	0.396	S	S	*	.	H	α-helix	trans	-97.6	-28.8	177.8	-61.8	174.9	-172	161.8	0	112.4	N25 D28 I29	N25-K31 WeakPolarHBondContact O-CE 3.35Å; D28-K31 PolarHBondContact O-N 2.87Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.96Å
32	N	90	Very high	82.8	Confident	66 Å²	66	75.8 Å²	75.8	35%	0.353	37%	0.369	S	S	.	.			trans	-125.2	91.6	179.1	-174.6	0.2	0	0	0	110.1	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 3.43Å; I29-N32 WeakPolarHBondContact CA-O 3.47Å; I29-N32 CarbonylContact O-C 3.52Å; N32-D34 PolarHBondContact O-N 3.43Å; N32-D34 WeakPolarHBondContact OD1-CB 3.37Å; N32-D34 PolarHBondContact OD1-N 3.42Å; N32-D34 VanDerWaalsContact OD1-N 3.17Å; N32-L35 HydrophobicContact CB-CD1 3.97Å; N32-L35 HydrophobicContact CB-CG 4.08Å; N32-L35 WeakPolarHBondContact O-CB 3.22Å; N32-L35 PolarHBondContact O-N 2.88Å
33	P	87.1	Confident	84.7	Confident	65 Å²	65	72.1 Å²	72.1	42%	0.422	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-58.3	-24.4	177.7	-26.3	36.2	0	0	0	114.3	L35 E36	P33-L35 PolarHBondContact O-N 3.25Å; P33-L35 VanDerWaalsContact O-N 3.12Å; P33-E36 WeakPolarHBondContact O-CB 3.31Å; P33-E36 PolarHBondContact O-N 2.97Å
34	D	90.6	Very high	86.6	Confident	131 Å²	131	66.4 Å²	66.4	70%	0.701	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.7	-179.6	-58.5	-24.8	0	0	0	112	N32 E36 Y38	N32-D34 PolarHBondContact O-N 3.43Å; N32-D34 WeakPolarHBondContact OD1-CB 3.37Å; N32-D34 PolarHBondContact OD1-N 3.42Å; N32-D34 VanDerWaalsContact OD1-N 3.17Å; D34-E36 PolarHBondContact O-N 3.49Å; D34-Y38 PolarHBondContact O-N 2.96Å
35	L	91.1	Very high	88.6	Confident	29 Å²	29	63 Å²	63	15%	0.152	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-68	-14.2	172.9	-64.1	176.8	0	0	0	113.5	D28 I29 N32 P33 H37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 3.75Å; I29-L35 HydrophobicContact CB-CB 4.22Å; I29-L35 HydrophobicContact CG1-CB 4.08Å; N32-L35 HydrophobicContact CB-CD1 3.97Å; N32-L35 HydrophobicContact CB-CG 4.08Å; N32-L35 WeakPolarHBondContact O-CB 3.22Å; N32-L35 PolarHBondContact O-N 2.88Å; P33-L35 PolarHBondContact O-N 3.25Å; P33-L35 VanDerWaalsContact O-N 3.12Å; L35-H37 VanDerWaalsContact C-N 3.29Å; L35-H37 PolarHBondContact O-N 2.7Å; L35-Y38 HydrophobicContact CD2-CG 4.21Å; L35-Y54 HydrophobicContact CB-CD2 3.8Å; L35-Y54 HydrophobicContact CB-CE2 4.4Å; L35-Y54 HydrophobicContact CB-CG 4.15Å; L35-Y54 HydrophobicContact CD1-CD2 3.89Å; L35-Y54 HydrophobicContact CD1-CE2 3.95Å; L35-Y54 HydrophobicContact CD2-CD2 4.4Å; L35-Y54 HydrophobicContact CG-CD2 4.25Å; L35-Y54 WeakPolarHBondContact O-CB 3.39Å
36	E	92.1	Very high	90.5	Very high	36 Å²	36	68.4 Å²	68.4	17%	0.168	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-64.9	-32.7	-179.5	-167.8	158.8	-160.1	0	0	112.9	I29 P33 D34 K201 K202 P203 E204	I29-E36 HydrophobicContact CD1-CB 4.05Å; I29-E36 HydrophobicContact CD1-CG 4.48Å; P33-E36 WeakPolarHBondContact O-CB 3.31Å; P33-E36 PolarHBondContact O-N 2.97Å; D34-E36 PolarHBondContact O-N 3.49Å; E36-K201 WeakPolarHBondContact OE2-CD 3.36Å; E36-K201 IonicContact OE2-NZ 3.38Å; E36-K201 PolarHBondContact OE2-NZ 3.28Å; E36-K202 PolarHBondContact OE1-N 2.83Å; E36-P203 WeakPolarHBondContact O-CA 3.05Å; E36-E204 PolarHBondContact O-N 2.92Å
37	H	92	Very high	91.7	Very high	137 Å²	137	67.9 Å²	67.9	63%	0.634	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-126.1	21.8	177	-56.5	-52.3	0	0	0	112.2	L35 E39	L35-H37 VanDerWaalsContact C-N 3.29Å; L35-H37 PolarHBondContact O-N 2.7Å; H37-E39 PolarHBondContact O-N 3.41Å
38	Y	93.5	Very high	92.3	Very high	67 Å²	67	66.7 Å²	66.7	26%	0.263	34%	0.338	S	S	.	.			trans	-64.1	122	-178.9	170.7	-93.3	0	0	0	110.5	D34 L35 N40 H53	D34-Y38 PolarHBondContact O-N 2.96Å; L35-Y38 HydrophobicContact CD2-CG 4.21Å; Y38-N40 HydrophobicContact CE1-CB 4.35Å; Y38-N40 WeakPolarHBondContact OH-CB 3.11Å; Y38-H53 WeakPolarHBondContact O-CA 3.48Å; Y38-H53 PolarHBondContact O-ND1 2.77Å
39	E	95.9	Very high	92.8	Very high	90 Å²	90	62.9 Å²	62.9	42%	0.421	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.6	171.9	173.7	171.4	-131.4	0	0	109.2	H37 V41 R49 H53	H37-E39 PolarHBondContact O-N 3.41Å; E39-V41 HydrophobicContact CG-CG2 4.04Å; E39-R49 IonicContact OE1-CZ 2.68Å; E39-R49 IonicContact OE1-NH2 2.8Å; E39-R49 PolarHBondContact OE1-NH2 3.38Å; E39-R49 IonicContact OE2-NH2 3.91Å; E39-R49 PolarHBondContact OE2-NH2 3.06Å; E39-H53 VanDerWaalsContact CG-CE1 3.47Å; E39-H53 WeakPolarHBondContact CG-CE1 3.33Å; E39-H53 IonicContact OE1-CE1 3.49Å; E39-H53 PolarHBondContact OE1-CE1 3.38Å; E39-H53 IonicContact OE1-NE2 2.91Å
40	N	94.7	Very high	93.1	Very high	39 Å²	39	63 Å²	63	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	106.3	166.9	-171	-12.6	0	0	0	110.1	Y38 I42 S51 L52 G252	Y38-N40 HydrophobicContact CE1-CB 4.35Å; Y38-N40 WeakPolarHBondContact OH-CB 3.11Å; N40-I42 PolarHBondContact O-N 3.39Å; N40-S51 CarbonylContact O-C 3.54Å; N40-S51 VanDerWaalsContact O-CA 3.24Å; N40-S51 WeakPolarHBondContact O-CA 3.01Å; N40-L52 PolarHBondContact N-O 3.41Å; N40-L52 PolarHBondContact O-N 3.42Å; N40-G252 WeakPolarHBondContact ND2-CA 3.24Å
41	V	95.4	Very high	93.4	Very high	30 Å²	30	61.6 Å²	61.6	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	106.5	177	-176.9	0	0	0	0	109.6	E39 E44 R49 K251	E39-V41 HydrophobicContact CG-CG2 4.04Å; V41-E44 HydrophobicContact CG1-CB 3.89Å; V41-R49 HydrophobicContact CG1-CG 4.37Å; V41-K251 WeakPolarHBondContact O-CE 3.09Å; V41-K251 PolarHBondContact O-NZ 3.37Å
42	I	94.1	Very high	93.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-47.2	-179.4	-52.6	-55.3	0	0	0	110.2	N40 Y50 L52 K251 D270	N40-I42 PolarHBondContact O-N 3.39Å; I42-Y50 HydrophobicContact CB-CD1 3.85Å; I42-Y50 HydrophobicContact CB-CE1 4.49Å; I42-Y50 HydrophobicContact CG1-CD1 3.98Å; I42-Y50 HydrophobicContact CG1-CE1 4.2Å; I42-Y50 HydrophobicContact CG2-CD1 4.32Å; I42-Y50 PolarHBondContact N-O 3.19Å; I42-L52 HydrophobicContact CD1-CD1 3.9Å; I42-L52 HydrophobicContact CD1-CG 4.08Å; I42-L52 HydrophobicContact CG1-CD1 4.11Å; I42-L52 HydrophobicContact CG1-CG 3.85Å; I42-K251 HydrophobicContact CG2-CB 4.5Å; I42-K251 WeakPolarHBondContact O-CD 3.41Å; I42-K251 PolarHBondContact O-NZ 3.22Å; I42-D270 VanDerWaalsContact CG2-O 3.22Å; I42-D270 WeakPolarHBondContact CG2-O 3.28Å
43	F	92.7	Very high	94	Very high	58 Å²	58	51.5 Å²	51.5	25%	0.254	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.4	-179.4	-173.3	-123.3	0	0	0	110.7	N45 Y48 R49 Y50 V273	F43-N45 HydrophobicContact CZ-CB 4.17Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.31Å; F43-Y48 AromaticContact CD1-CD1 3.52Å; F43-Y48 HydrophobicContact CD1-CD1 3.52Å; F43-Y48 HydrophobicContact CD1-CE1 4.07Å; F43-Y48 HydrophobicContact CD1-CG 4.42Å; F43-Y48 AromaticContact CE1-CD1 3.89Å; F43-Y48 HydrophobicContact CE1-CD1 3.89Å; F43-Y48 HydrophobicContact CE1-CG 4.37Å; F43-R49 CarbonylContact O-C 3.47Å; F43-R49 VanDerWaalsContact O-CA 3.32Å; F43-R49 WeakPolarHBondContact O-CA 3.14Å; F43-Y50 PolarHBondContact N-O 2.87Å; F43-Y50 VanDerWaalsContact N-O 3.1Å; F43-Y50 PolarHBondContact O-N 3.5Å; F43-V273 HydrophobicContact CB-CG2 3.54Å; F43-V273 HydrophobicContact CD2-CB 4.11Å; F43-V273 HydrophobicContact CD2-CG1 3.67Å; F43-V273 HydrophobicContact CD2-CG2 3.25Å; F43-V273 HydrophobicContact CE2-CG1 3.91Å; F43-V273 HydrophobicContact CE2-CG2 4.1Å; F43-V273 HydrophobicContact CG-CG2 3.54Å
44	E	94.1	Very high	94.3	Very high	69 Å²	69	49.5 Å²	49.5	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	130.1	172.3	-170.5	165.2	-162.1	0	0	109.7	V41 Y48 R49 K210 W211	V41-E44 HydrophobicContact CG1-CB 3.89Å; E44-Y48 WeakPolarHBondContact CA-O 3.24Å; E44-R49 HydrophobicContact CB-CG 4.34Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-CZ 2.72Å; E44-R49 IonicContact OE1-NH1 3.25Å; E44-R49 PolarHBondContact OE1-NH1 3.25Å; E44-R49 IonicContact OE2-CZ 2.67Å; E44-R49 IonicContact OE2-NH1 3.27Å; E44-R49 PolarHBondContact OE2-NH1 3.29Å; E44-K210 WeakPolarHBondContact OE1-CE 3.34Å; E44-K210 IonicContact OE1-NZ 2.93Å; E44-K210 PolarHBondContact OE1-NZ 3.17Å; E44-K210 IonicContact OE2-NZ 2.66Å; E44-W211 HydrophobicContact CG-CZ2 3.97Å; E44-W211 PolarHBondContact OE1-NE1 3.09Å
45	N	94.2	Very high	94.4	Very high	65 Å²	65	45.5 Å²	45.5	35%	0.348	22%	0.22	S	C	.	.			trans	-138.2	-166.5	166.9	71.4	21.3	0	0	0	109	F43 T47 Y48 W211	F43-N45 HydrophobicContact CZ-CB 4.17Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.31Å; N45-T47 VanDerWaalsContact C-N 3.29Å; N45-T47 PolarHBondContact O-N 3.05Å; N45-T47 PolarHBondContact OD1-N 3.21Å; N45-T47 PolarHBondContact OD1-OG1 3.15Å; N45-Y48 PolarHBondContact N-O 2.91Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.42Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.49Å; N45-Y48 PolarHBondContact OD1-N 3.31Å; N45-Y48 PolarHBondContact OD1-O 2.97Å; N45-W211 WeakPolarHBondContact O-CH2 3.36Å; N45-W211 VanDerWaalsContact O-CZ2 3.28Å; N45-W211 WeakPolarHBondContact O-CZ2 3.47Å
46	D	93.5	Very high	94.7	Very high	144 Å²	144	44.1 Å²	44.1	77%	0.77	21%	0.213	S	C	*	.	S	Bend	trans	-72	-17.9	-175.3	-62.6	-28.6	0	0	0	115.1	R62	D46-R62 WeakPolarHBondContact O-CD 3.21Å; D46-R62 PolarHBondContact O-NH1 3.02Å
47	T	95.2	Very high	94.8	Very high	64 Å²	64	42.6 Å²	42.6	39%	0.393	21%	0.206	S	C	.	.	S	Bend	trans	-123.5	-10.8	-174.2	59.1	0	0	0	0	114	N45 Q61 R62	N45-T47 VanDerWaalsContact C-N 3.29Å; N45-T47 PolarHBondContact O-N 3.05Å; N45-T47 PolarHBondContact OD1-N 3.21Å; N45-T47 PolarHBondContact OD1-OG1 3.15Å; T47-Q61 CarbonylContact O-C 3.59Å; T47-R62 PolarHBondContact O-N 2.77Å
48	Y	95.7	Very high	95.1	Very high	31 Å²	31	36.1 Å²	36.1	12%	0.122	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.9	-172.3	-162.6	-83.2	0	0	0	112.1	F43 E44 N45 R59 I60 Q61 W211 D270	F43-Y48 AromaticContact CD1-CD1 3.52Å; F43-Y48 HydrophobicContact CD1-CD1 3.52Å; F43-Y48 HydrophobicContact CD1-CE1 4.07Å; F43-Y48 HydrophobicContact CD1-CG 4.42Å; F43-Y48 AromaticContact CE1-CD1 3.89Å; F43-Y48 HydrophobicContact CE1-CD1 3.89Å; F43-Y48 HydrophobicContact CE1-CG 4.37Å; E44-Y48 WeakPolarHBondContact CA-O 3.24Å; N45-Y48 PolarHBondContact N-O 2.91Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.42Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.49Å; N45-Y48 PolarHBondContact OD1-N 3.31Å; N45-Y48 PolarHBondContact OD1-O 2.97Å; Y48-R59 HydrophobicContact CE1-CG 4.43Å; Y48-R59 HydrophobicContact CE2-CG 4.14Å; Y48-R59 WeakPolarHBondContact OH-CD 3.4Å; Y48-R59 WeakPolarHBondContact OH-CG 3.37Å; Y48-R59 PolarHBondContact OH-NE 2.99Å; Y48-R59 VanDerWaalsContact OH-NE 3.07Å; Y48-I60 CarbonylContact C-O 3.49Å; Y48-I60 VanDerWaalsContact CA-O 3.29Å; Y48-I60 WeakPolarHBondContact CA-O 3.09Å; Y48-Q61 HydrophobicContact CD2-CG 3.64Å; Y48-Q61 HydrophobicContact CE2-CG 3.5Å; Y48-W211 VanDerWaalsContact C-CH2 3.45Å; Y48-W211 VanDerWaalsContact N-CH2 3.32Å; Y48-D270 VanDerWaalsContact CE1-OD1 3.24Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.31Å; Y48-D270 VanDerWaalsContact OH-CG 3.32Å; Y48-D270 PolarHBondContact OH-OD1 2.88Å; Y48-D270 PolarHBondContact OH-OD2 3.33Å
49	R	96.7	Very high	95.3	Very high	16 Å²	16	33.2 Å²	33.2	6%	0.06	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.2	169.7	178.5	178.1	174.1	142.9	-11.4	110.2	E39 V41 F43 E44 R59 I60 W211	E39-R49 IonicContact OE1-CZ 2.68Å; E39-R49 IonicContact OE1-NH2 2.8Å; E39-R49 PolarHBondContact OE1-NH2 3.38Å; E39-R49 IonicContact OE2-NH2 3.91Å; E39-R49 PolarHBondContact OE2-NH2 3.06Å; V41-R49 HydrophobicContact CG1-CG 4.37Å; F43-R49 CarbonylContact O-C 3.47Å; F43-R49 VanDerWaalsContact O-CA 3.32Å; F43-R49 WeakPolarHBondContact O-CA 3.14Å; E44-R49 HydrophobicContact CB-CG 4.34Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-CZ 2.72Å; E44-R49 IonicContact OE1-NH1 3.25Å; E44-R49 PolarHBondContact OE1-NH1 3.25Å; E44-R49 IonicContact OE2-CZ 2.67Å; E44-R49 IonicContact OE2-NH1 3.27Å; E44-R49 PolarHBondContact OE2-NH1 3.29Å; R49-R59 CarbonylContact O-C 3.6Å; R49-R59 WeakPolarHBondContact O-CA 3.26Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 2.8Å; R49-I60 PolarHBondContact O-N 3.26Å; R49-W211 HydrophobicContact CB-CH2 4.08Å; R49-W211 HydrophobicContact CB-CZ2 3.66Å
50	Y	96.7	Very high	95.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.1	170	-176.7	-111.3	0	0	0	110.2	I42 F43 L52 S57 M58 R59 D270	I42-Y50 HydrophobicContact CB-CD1 3.85Å; I42-Y50 HydrophobicContact CB-CE1 4.49Å; I42-Y50 HydrophobicContact CG1-CD1 3.98Å; I42-Y50 HydrophobicContact CG1-CE1 4.2Å; I42-Y50 HydrophobicContact CG2-CD1 4.32Å; I42-Y50 PolarHBondContact N-O 3.19Å; F43-Y50 PolarHBondContact N-O 2.87Å; F43-Y50 VanDerWaalsContact N-O 3.1Å; F43-Y50 PolarHBondContact O-N 3.5Å; Y50-L52 HydrophobicContact CE1-CD2 3.87Å; Y50-L52 WeakPolarHBondContact OH-CD2 3.43Å; Y50-S57 WeakPolarHBondContact OH-CB 3.08Å; Y50-M58 WeakPolarHBondContact CA-O 3.43Å; Y50-R59 HydrophobicContact CD2-CB 4.12Å; Y50-D270 HydrophobicContact CD1-CB 3.56Å; Y50-D270 HydrophobicContact CD2-CB 4.18Å; Y50-D270 HydrophobicContact CE1-CB 3.7Å; Y50-D270 HydrophobicContact CE2-CB 4.29Å; Y50-D270 HydrophobicContact CG-CB 3.82Å
51	S	96.9	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.3	-176.5	51.9	0	0	0	0	111.4	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.54Å; N40-S51 VanDerWaalsContact O-CA 3.24Å; N40-S51 WeakPolarHBondContact O-CA 3.01Å; S51-H53 PolarHBondContact OG-NE2 2.77Å; S51-S57 CarbonylContact O-C 3.51Å; S51-S57 WeakPolarHBondContact O-CA 3.5Å; S51-M58 PolarHBondContact N-O 3.47Å; S51-M58 PolarHBondContact O-N 3.38Å; S51-M58 WeakPolarHBondContact OG-CE 3.33Å; S51-M58 PolarHBondContact OG-O 2.9Å
52	L	95.6	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.8	174.6	-57.8	179.2	0	0	0	109.1	N40 I42 Y50 I223 K254 I256	N40-L52 PolarHBondContact N-O 3.41Å; N40-L52 PolarHBondContact O-N 3.42Å; I42-L52 HydrophobicContact CD1-CD1 3.9Å; I42-L52 HydrophobicContact CD1-CG 4.08Å; I42-L52 HydrophobicContact CG1-CD1 4.11Å; I42-L52 HydrophobicContact CG1-CG 3.85Å; Y50-L52 HydrophobicContact CE1-CD2 3.87Å; Y50-L52 WeakPolarHBondContact OH-CD2 3.43Å; L52-I223 HydrophobicContact CB-CD1 4.45Å; L52-I223 HydrophobicContact CD2-CD1 3.93Å; L52-K254 HydrophobicContact CD1-CB 4.23Å; L52-K254 HydrophobicContact CD1-CD 4.25Å; L52-I256 HydrophobicContact CD1-CG2 4.5Å; L52-I256 HydrophobicContact CD2-CG2 4.46Å
53	H	95.9	Very high	95.7	Very high	8 Å²	8	37 Å²	37	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-179.5	178.9	-61.7	-94.9	0	0	0	109.7	Y38 E39 S51 Y55 Y56 I205	Y38-H53 WeakPolarHBondContact O-CA 3.48Å; Y38-H53 PolarHBondContact O-ND1 2.77Å; E39-H53 VanDerWaalsContact CG-CE1 3.47Å; E39-H53 WeakPolarHBondContact CG-CE1 3.33Å; E39-H53 IonicContact OE1-CE1 3.49Å; E39-H53 PolarHBondContact OE1-CE1 3.38Å; E39-H53 IonicContact OE1-NE2 2.91Å; S51-H53 PolarHBondContact OG-NE2 2.77Å; H53-Y55 PolarHBondContact O-N 2.88Å; H53-Y56 CarbonylContact C-O 3.6Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.09Å; H53-Y56 PolarHBondContact N-O 3.21Å; H53-I205 HydrophobicContact CB-CD1 3.38Å; H53-I205 HydrophobicContact CB-CG1 3.72Å
54	Y	93.7	Very high	95.9	Very high	24 Å²	24	37.4 Å²	37.4	9%	0.094	18%	0.182	C	C	.	.	S	Bend	trans	-66	124.8	168.9	-179	-108	0	0	0	110.3	D28 I29 L35 Y56 Y92 I194 P203	D28-Y54 HydrophobicContact CB-CE2 4.42Å; I29-Y54 HydrophobicContact CB-CD1 4.48Å; I29-Y54 HydrophobicContact CB-CE1 3.89Å; I29-Y54 HydrophobicContact CB-CE2 4.05Å; I29-Y54 HydrophobicContact CD1-CD1 4Å; I29-Y54 HydrophobicContact CD1-CE1 4.02Å; I29-Y54 HydrophobicContact CG2-CE1 3.93Å; I29-Y54 WeakPolarHBondContact CG2-OH 3.46Å; L35-Y54 HydrophobicContact CB-CD2 3.8Å; L35-Y54 HydrophobicContact CB-CE2 4.4Å; L35-Y54 HydrophobicContact CB-CG 4.15Å; L35-Y54 HydrophobicContact CD1-CD2 3.89Å; L35-Y54 HydrophobicContact CD1-CE2 3.95Å; L35-Y54 HydrophobicContact CD2-CD2 4.4Å; L35-Y54 HydrophobicContact CG-CD2 4.25Å; L35-Y54 WeakPolarHBondContact O-CB 3.39Å; Y54-Y56 PolarHBondContact O-N 3.06Å; Y54-Y92 HydrophobicContact CD1-CD1 4.28Å; Y54-Y92 HydrophobicContact CD1-CE1 4.17Å; Y54-Y92 HydrophobicContact CE1-CD1 4.4Å; Y54-I194 HydrophobicContact CE1-CD1 3.71Å; Y54-P203 HydrophobicContact CD1-CB 3.7Å; Y54-P203 HydrophobicContact CD1-CG 3.99Å; Y54-P203 HydrophobicContact CE1-CB 4.42Å; Y54-P203 HydrophobicContact CE1-CG 4.26Å
55	Y	93.4	Very high	96	Very high	46 Å²	46	39 Å²	39	18%	0.18	20%	0.201	C	C	.	.	S	Bend	trans	69.2	-25.5	179.6	-146.7	-88.9	0	0	0	116.7	H53 Y92 G93 V222 I223	H53-Y55 PolarHBondContact O-N 2.88Å; Y55-Y92 HydrophobicContact CD1-CD1 4.48Å; Y55-Y92 HydrophobicContact CG-CD1 4.07Å; Y55-G93 VanDerWaalsContact CE1-N 3.25Å; Y55-G93 WeakPolarHBondContact OH-CA 3.4Å; Y55-G93 PolarHBondContact OH-N 3.35Å; Y55-V222 HydrophobicContact CD1-CG1 4.13Å; Y55-V222 HydrophobicContact CE1-CG1 3.63Å; Y55-V222 HydrophobicContact CE1-CG2 4.31Å; Y55-I223 PolarHBondContact O-N 3.13Å
56	Y	96	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.1	-176.2	-67.2	-89.8	0	0	0	112.6	H53 Y54 F91 Y92 I190 I205 F220 E221 V222 I223	H53-Y56 CarbonylContact C-O 3.6Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.09Å; H53-Y56 PolarHBondContact N-O 3.21Å; Y54-Y56 PolarHBondContact O-N 3.06Å; Y56-F91 WeakPolarHBondContact OH-CA 3.06Å; Y56-F91 WeakPolarHBondContact OH-CD2 3.15Å; Y56-Y92 HydrophobicContact CD2-CD1 4.29Å; Y56-Y92 AromaticContact CD2-CE1 3.85Å; Y56-Y92 HydrophobicContact CD2-CE1 3.85Å; Y56-Y92 HydrophobicContact CD2-CE2 4.27Å; Y56-Y92 AromaticContact CD2-CZ 3.85Å; Y56-Y92 AromaticContact CE2-CD1 3.9Å; Y56-Y92 HydrophobicContact CE2-CD1 3.9Å; Y56-Y92 AromaticContact CE2-CD2 3.81Å; Y56-Y92 HydrophobicContact CE2-CD2 3.81Å; Y56-Y92 AromaticContact CE2-CE1 3.83Å; Y56-Y92 HydrophobicContact CE2-CE1 3.83Å; Y56-Y92 AromaticContact CE2-CE2 3.75Å; Y56-Y92 HydrophobicContact CE2-CE2 3.75Å; Y56-Y92 AromaticContact CE2-CG 3.89Å; Y56-Y92 HydrophobicContact CE2-CG 3.89Å; Y56-Y92 AromaticContact CE2-CZ 3.78Å; Y56-Y92 PolarHBondContact OH-N 2.96Å; Y56-Y92 VanDerWaalsContact OH-N 3.09Å; Y56-I190 HydrophobicContact CD1-CD1 4.33Å; Y56-I190 HydrophobicContact CD2-CD1 3.73Å; Y56-I190 HydrophobicContact CE1-CD1 4.5Å; Y56-I190 HydrophobicContact CE2-CD1 3.93Å; Y56-I190 HydrophobicContact CG-CD1 3.96Å; Y56-I205 HydrophobicContact CD2-CD1 4.3Å; Y56-I205 HydrophobicContact CG-CD1 4.37Å; Y56-F220 HydrophobicContact CD1-CB 4.09Å; Y56-E221 CarbonylContact C-O 3.59Å; Y56-E221 WeakPolarHBondContact CA-O 3.49Å; Y56-V222 HydrophobicContact CD1-CG2 4.12Å; Y56-V222 HydrophobicContact CE1-CG2 3.54Å; Y56-I223 VanDerWaalsContact C-CD1 3.44Å; Y56-I223 WeakPolarHBondContact O-CD1 3.05Å
57	S	95.8	Very high	96.1	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	151.9	155.4	64.6	0	0	0	0	109.2	Y50 S51 F220 E221	Y50-S57 WeakPolarHBondContact OH-CB 3.08Å; S51-S57 CarbonylContact O-C 3.51Å; S51-S57 WeakPolarHBondContact O-CA 3.5Å; S57-F220 VanDerWaalsContact O-CA 3.28Å; S57-F220 WeakPolarHBondContact O-CA 3.35Å; S57-E221 PolarHBondContact N-O 3.5Å; S57-E221 PolarHBondContact O-N 3.19Å
58	M	97.8	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.2	174.7	178.9	-178.8	63.5	0	0	109.2	Y50 S51 I60 I205 V207 V218 E219 F220	Y50-M58 WeakPolarHBondContact CA-O 3.43Å; S51-M58 PolarHBondContact N-O 3.47Å; S51-M58 PolarHBondContact O-N 3.38Å; S51-M58 WeakPolarHBondContact OG-CE 3.33Å; S51-M58 PolarHBondContact OG-O 2.9Å; M58-I60 HydrophobicContact CE-CD1 4.08Å; M58-I60 HydrophobicContact CG-CG1 4.18Å; M58-I60 HydrophobicContact SD-CD1 4.16Å; M58-I60 HydrophobicContact SD-CG1 4.36Å; M58-I205 HydrophobicContact SD-CG2 4.14Å; M58-V207 HydrophobicContact SD-CG2 4.32Å; M58-V218 HydrophobicContact CG-CG1 3.85Å; M58-V218 HydrophobicContact SD-CG1 4.05Å; M58-E219 WeakPolarHBondContact CA-O 3.37Å; M58-F220 HydrophobicContact CB-CD1 4.03Å; M58-F220 HydrophobicContact CB-CE1 4.06Å; M58-F220 HydrophobicContact CG-CD1 4.12Å; M58-F220 HydrophobicContact CG-CE1 3.78Å; M58-F220 HydrophobicContact CG-CZ 4.35Å; M58-F220 HydrophobicContact SD-CE1 3.67Å; M58-F220 HydrophobicContact SD-CZ 4.04Å
59	R	97.1	Very high	96.2	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.023	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.5	171.7	-173.7	-176.9	-63.6	112.9	3.3	109.3	Y48 R49 Y50 Q61 V218 E219 D270	Y48-R59 HydrophobicContact CE1-CG 4.43Å; Y48-R59 HydrophobicContact CE2-CG 4.14Å; Y48-R59 WeakPolarHBondContact OH-CD 3.4Å; Y48-R59 WeakPolarHBondContact OH-CG 3.37Å; Y48-R59 PolarHBondContact OH-NE 2.99Å; Y48-R59 VanDerWaalsContact OH-NE 3.07Å; R49-R59 CarbonylContact O-C 3.6Å; R49-R59 WeakPolarHBondContact O-CA 3.26Å; Y50-R59 HydrophobicContact CD2-CB 4.12Å; R59-Q61 HydrophobicContact CG-CG 4.27Å; R59-V218 CarbonylContact O-C 3.56Å; R59-V218 WeakPolarHBondContact O-CA 3.38Å; R59-E219 PolarHBondContact N-O 3.39Å; R59-E219 IonicContact NH1-OE2 3.89Å; R59-E219 PolarHBondContact NH1-OE2 3.43Å; R59-E219 PolarHBondContact O-N 2.95Å; R59-D270 IonicContact CZ-OD2 2.74Å; R59-D270 VanDerWaalsContact CZ-OD2 3.25Å; R59-D270 IonicContact NE-OD1 3.61Å; R59-D270 IonicContact NE-OD2 3.23Å; R59-D270 PolarHBondContact NE-OD2 2.92Å; R59-D270 IonicContact NH2-OD2 3.26Å; R59-D270 PolarHBondContact NH2-OD2 3.43Å
60	I	98	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.4	174.1	-46.6	-177.1	0	0	0	108.8	Y48 R49 M58 V207 W211 L217 V218	Y48-I60 CarbonylContact C-O 3.49Å; Y48-I60 VanDerWaalsContact CA-O 3.29Å; Y48-I60 WeakPolarHBondContact CA-O 3.09Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 2.8Å; R49-I60 PolarHBondContact O-N 3.26Å; M58-I60 HydrophobicContact CE-CD1 4.08Å; M58-I60 HydrophobicContact CG-CG1 4.18Å; M58-I60 HydrophobicContact SD-CD1 4.16Å; M58-I60 HydrophobicContact SD-CG1 4.36Å; I60-V207 HydrophobicContact CD1-CG1 4.18Å; I60-W211 HydrophobicContact CB-CD2 4.31Å; I60-W211 HydrophobicContact CB-CE3 4.03Å; I60-W211 HydrophobicContact CB-CZ3 4.46Å; I60-W211 HydrophobicContact CD1-CB 3.82Å; I60-W211 HydrophobicContact CD1-CD2 4.15Å; I60-W211 HydrophobicContact CD1-CG 3.72Å; I60-W211 HydrophobicContact CG2-CB 4.08Å; I60-W211 HydrophobicContact CG2-CD2 3.87Å; I60-W211 HydrophobicContact CG2-CE3 3.36Å; I60-W211 HydrophobicContact CG2-CG 4.18Å; I60-W211 HydrophobicContact CG2-CZ3 4.07Å; I60-L217 CarbonylContact C-O 3.57Å; I60-L217 WeakPolarHBondContact CA-O 3.47Å; I60-V218 HydrophobicContact CD1-CG2 4.4Å; I60-V218 HydrophobicContact CG1-CG1 4.28Å; I60-V218 HydrophobicContact CG1-CG2 4.14Å; I60-V218 HydrophobicContact CG2-CG2 4.07Å
61	Q	97.3	Very high	95.9	Very high	39 Å²	39	41 Å²	41	18%	0.182	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	178.5	-67.8	174.9	-104.1	0	0	109.9	T47 Y48 R59 Q64 S216 L217	T47-Q61 CarbonylContact O-C 3.59Å; Y48-Q61 HydrophobicContact CD2-CG 3.64Å; Y48-Q61 HydrophobicContact CE2-CG 3.5Å; R59-Q61 HydrophobicContact CG-CG 4.27Å; Q61-Q64 HydrophobicContact CB-CG 3.65Å; Q61-S216 CarbonylContact O-C 3.58Å; Q61-S216 WeakPolarHBondContact O-CA 3.3Å; Q61-L217 PolarHBondContact N-O 3.02Å; Q61-L217 PolarHBondContact O-N 3.34Å
62	R	96.7	Very high	96	Very high	82 Å²	82	44.8 Å²	44.8	31%	0.309	23%	0.23	S	C	.	.	S	Bend	trans	-89.9	166.5	172	-66.6	-170.7	70.5	-159.8	-5.8	111.9	D46 T47 Q64 W211 G215	D46-R62 WeakPolarHBondContact O-CD 3.21Å; D46-R62 PolarHBondContact O-NH1 3.02Å; T47-R62 PolarHBondContact O-N 2.77Å; R62-Q64 PolarHBondContact O-N 2.74Å; R62-Q64 PolarHBondContact O-NE2 3.3Å; R62-W211 HydrophobicContact CG-CE3 4.07Å; R62-W211 HydrophobicContact CG-CZ3 3.76Å; R62-G215 CarbonylContact C-O 3.5Å
63	N	95.7	Very high	96	Very high	120 Å²	120	45 Å²	45	64%	0.642	23%	0.231	S	C	*	.	S	Bend	trans	57.1	33.5	176.4	-50.8	-30.6	0	0	0	112.5	G215	N63-G215 PolarHBondContact N-O 3.23Å
64	Q	97.3	Very high	95.9	Very high	65 Å²	65	52.4 Å²	52.4	30%	0.304	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-86.5	146.5	175.3	-58.8	-53.4	-61.4	0	0	109.7	Q61 R62 Y173 G215 L217	Q61-Q64 HydrophobicContact CB-CG 3.65Å; R62-Q64 PolarHBondContact O-N 2.74Å; R62-Q64 PolarHBondContact O-NE2 3.3Å; Q64-Y173 HydrophobicContact CB-CE2 4.42Å; Q64-Y173 WeakPolarHBondContact O-CE2 3.34Å; Q64-Y173 PolarHBondContact O-OH 3.49Å; Q64-G215 PolarHBondContact N-O 2.82Å; Q64-L217 HydrophobicContact CB-CB 3.9Å; Q64-L217 HydrophobicContact CG-CB 3.76Å; Q64-L217 HydrophobicContact CG-CD2 4.44Å
65	S	96.1	Very high	96	Very high	104 Å²	104	54.1 Å²	54.1	73%	0.727	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-76.9	161.3	171.4	-64.4	0	0	0	0	110.7	P67 Y173	S65-P67 WeakPolarHBondContact O-CD 3.38Å; S65-Y173 WeakPolarHBondContact O-CE2 3.5Å
66	Q	95.2	Very high	95.9	Very high	63 Å²	63	56.4 Å²	56.4	29%	0.294	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-57.3	122	175	-170	-177.9	16.7	0	0	110	V68 S70 Y173	Q66-V68 VanDerWaalsContact C-N 3.28Å; Q66-V68 VanDerWaalsContact CG-O 3.3Å; Q66-V68 WeakPolarHBondContact CG-O 3.24Å; Q66-V68 PolarHBondContact NE2-O 3.47Å; Q66-V68 VanDerWaalsContact NE2-O 3.1Å; Q66-V68 PolarHBondContact O-N 3.39Å; Q66-S70 PolarHBondContact NE2-OG 3.48Å; Q66-Y173 HydrophobicContact CB-CD1 4.49Å; Q66-Y173 HydrophobicContact CB-CE1 3.8Å; Q66-Y173 HydrophobicContact CG-CD1 4.15Å; Q66-Y173 HydrophobicContact CG-CE1 3.86Å; Q66-Y173 PolarHBondContact N-OH 3.46Å
67	P	95.3	Very high	95.6	Very high	57 Å²	57	56.6 Å²	56.6	37%	0.37	29%	0.289	S	S	.	.	S	Bend	trans	-71.8	-23.3	-173.2	26.7	-35.3	0	0	0	113.1	S65 L163 Y173 L217	S65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-L163 HydrophobicContact CB-CD1 4.13Å; P67-L163 HydrophobicContact CG-CD1 3.79Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CG 4.16Å; P67-L217 HydrophobicContact CG-CD1 4.38Å
68	V	96.3	Very high	95.1	Very high	7 Å²	7	63 Å²	63	4%	0.042	32%	0.318	C	S	.	.	S	Bend	trans	-142	128.6	-177.4	-178.6	0	0	0	0	109.6	Q66 R72 F73 L135 L140 L163	Q66-V68 VanDerWaalsContact C-N 3.28Å; Q66-V68 VanDerWaalsContact CG-O 3.3Å; Q66-V68 WeakPolarHBondContact CG-O 3.24Å; Q66-V68 PolarHBondContact NE2-O 3.47Å; Q66-V68 VanDerWaalsContact NE2-O 3.1Å; Q66-V68 PolarHBondContact O-N 3.39Å; V68-R72 HydrophobicContact CG1-CB 4.14Å; V68-F73 HydrophobicContact CB-CE2 4.28Å; V68-F73 HydrophobicContact CG1-CE2 4.01Å; V68-F73 HydrophobicContact CG1-CZ 4.45Å; V68-L135 HydrophobicContact CG1-CD1 3.59Å; V68-L140 HydrophobicContact CG2-CD2 3.77Å; V68-L163 HydrophobicContact CB-CD1 4.49Å; V68-L163 HydrophobicContact CG2-CD1 3.52Å; V68-L163 HydrophobicContact CG2-CD2 3.95Å; V68-L163 HydrophobicContact CG2-CG 4.41Å
69	P	95.7	Very high	94.7	Very high	58 Å²	58	68.1 Å²	68.1	38%	0.377	35%	0.349	S	S	.	.			trans	-57.5	141.9	178.4	-25.4	33.7	0	0	0	113.8	E71 R72	P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 HydrophobicContact CB-CG 4.43Å; P69-E71 WeakPolarHBondContact CB-OE1 3.45Å; P69-E71 VanDerWaalsContact CB-OE2 3.23Å; P69-E71 WeakPolarHBondContact CB-OE2 3.41Å; P69-E71 PolarHBondContact O-N 3.06Å; P69-R72 PolarHBondContact O-N 2.99Å
70	S	93.9	Very high	94.5	Very high	41 Å²	41	70.7 Å²	70.7	29%	0.287	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.5	-172.8	-99.4	0	0	0	0	114.5	Q66 R72 F73 K144	Q66-S70 PolarHBondContact NE2-OG 3.48Å; S70-R72 VanDerWaalsContact C-N 3.3Å; S70-R72 PolarHBondContact O-N 3.2Å; S70-F73 PolarHBondContact O-N 2.98Å; S70-K144 PolarHBondContact O-NZ 2.99Å; S70-K144 PolarHBondContact OG-NZ 3.18Å
71	E	95.2	Very high	94.3	Very high	136 Å²	136	73.7 Å²	73.7	64%	0.636	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-73.1	-16.8	-178	65.5	-84	-167.3	0	0	114.1	P69 F73	P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 HydrophobicContact CB-CG 4.43Å; P69-E71 WeakPolarHBondContact CB-OE1 3.45Å; P69-E71 VanDerWaalsContact CB-OE2 3.23Å; P69-E71 WeakPolarHBondContact CB-OE2 3.41Å; P69-E71 PolarHBondContact O-N 3.06Å; E71-F73 VanDerWaalsContact C-N 3.25Å; E71-F73 PolarHBondContact O-N 3.24Å
72	R	97.1	Very high	94.2	Very high	79 Å²	79	77.2 Å²	77.2	30%	0.298	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-72.6	-20	175	-69.5	-177.2	62.3	-169.2	0.5	112.8	V68 P69 S70 K74 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.14Å; P69-R72 PolarHBondContact O-N 2.99Å; S70-R72 VanDerWaalsContact C-N 3.3Å; S70-R72 PolarHBondContact O-N 3.2Å; R72-K74 PolarHBondContact O-N 2.92Å; R72-K74 VanDerWaalsContact O-N 3.13Å; R72-L135 HydrophobicContact CB-CD1 3.62Å; R72-L135 HydrophobicContact CB-CG 4.43Å; R72-E137 IonicContact CZ-OE1 3.75Å; R72-E137 IonicContact CZ-OE2 3.77Å; R72-E137 IonicContact NE-OE1 3.5Å; R72-E137 PolarHBondContact NE-OE1 2.87Å; R72-E137 IonicContact NE-OE2 2.77Å; R72-E137 IonicContact NH2-OE1 2.66Å; R72-E137 PolarHBondContact NH2-OE1 2.85Å; R72-E137 IonicContact NH2-OE2 3.39Å; R72-E137 PolarHBondContact NH2-OE2 2.73Å
73	F	97.2	Very high	94	Very high	5 Å²	5	73.3 Å²	73.3	2%	0.022	38%	0.377	C	S	.	.			trans	-82.3	86.8	174.4	-62.2	-93.8	0	0	0	110.1	V68 S70 E71 R133 L135 K144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.28Å; V68-F73 HydrophobicContact CG1-CE2 4.01Å; V68-F73 HydrophobicContact CG1-CZ 4.45Å; S70-F73 PolarHBondContact O-N 2.98Å; E71-F73 VanDerWaalsContact C-N 3.25Å; E71-F73 PolarHBondContact O-N 3.24Å; F73-R133 HydrophobicContact CB-CB 3.81Å; F73-R133 WeakPolarHBondContact O-CD 3.22Å; F73-L135 HydrophobicContact CD1-CB 3.63Å; F73-L135 HydrophobicContact CE1-CB 3.74Å; F73-L135 HydrophobicContact CE1-CD1 4.47Å; F73-L135 HydrophobicContact CE2-CD1 4.37Å; F73-L135 HydrophobicContact CG-CB 4.17Å; F73-L135 HydrophobicContact CZ-CB 4.36Å; F73-L135 HydrophobicContact CZ-CD1 4.28Å; F73-K144 HydrophobicContact CB-CB 4.27Å; F73-K144 HydrophobicContact CD1-CB 3.45Å; F73-K144 VanDerWaalsContact CD1-CB 3.45Å; F73-K144 HydrophobicContact CD2-CB 4.04Å; F73-K144 HydrophobicContact CD2-CD 3.94Å; F73-K144 HydrophobicContact CE1-CB 3.68Å; F73-K144 HydrophobicContact CE2-CB 4.23Å; F73-K144 HydrophobicContact CE2-CD 4.27Å; F73-K144 HydrophobicContact CG-CB 3.65Å; F73-K144 HydrophobicContact CG-CD 4.24Å; F73-K144 HydrophobicContact CZ-CB 4.06Å; F73-T161 HydrophobicContact CE1-CG2 4.08Å; F73-T161 HydrophobicContact CE2-CG2 4.3Å; F73-T161 HydrophobicContact CZ-CG2 3.48Å; F73-T161 VanDerWaalsContact CZ-CG2 3.48Å; F73-L163 HydrophobicContact CE1-CD2 4.37Å; F73-L163 HydrophobicContact CZ-CD2 3.88Å
74	K	94	Very high	94	Very high	163 Å²	163	75.6 Å²	75.6	71%	0.709	38%	0.376	S	S	*	.			trans	-91.5	-34.8	-170	-65	176.5	-177.1	176.6	0	114	R72 M76 V134	R72-K74 PolarHBondContact O-N 2.92Å; R72-K74 VanDerWaalsContact O-N 3.13Å; K74-M76 PolarHBondContact O-N 2.79Å; K74-V134 PolarHBondContact N-O 3.45Å
75	N	94.4	Very high	93.8	Very high	61 Å²	61	73.6 Å²	73.6	33%	0.326	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.6	-166.3	-62.5	-31.6	0	0	0	111	Y81 R133 V134	N75-Y81 HydrophobicContact CB-CD2 4.37Å; N75-Y81 HydrophobicContact CB-CE2 3.83Å; N75-Y81 PolarHBondContact ND2-OH 3.15Å; N75-R133 CarbonylContact O-C 3.53Å; N75-R133 VanDerWaalsContact O-CA 3.23Å; N75-R133 WeakPolarHBondContact O-CA 3.45Å; N75-V134 HydrophobicContact CB-CB 4.24Å; N75-V134 PolarHBondContact N-O 3.43Å; N75-V134 PolarHBondContact O-N 3.15Å
76	M	92.8	Very high	93.7	Very high	94 Å²	94	74.7 Å²	74.7	46%	0.463	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.9	175.7	-169.6	-177.8	-172.1	0	0	111.5	K74 E131 Y132	K74-M76 PolarHBondContact O-N 2.79Å; M76-E131 HydrophobicContact CE-CG 4.37Å; M76-Y132 WeakPolarHBondContact CA-O 3.43Å
77	I	88.4	Confident	93.6	Very high	3 Å²	3	73.3 Å²	73.3	2%	0.015	36%	0.356	C	S	.	.			trans	-101.9	128.2	176.5	-50.3	-178	0	0	0	110.7	F101 K103 Y132 V134	I77-F101 HydrophobicContact CD1-CB 3.5Å; I77-F101 VanDerWaalsContact CD1-CB 3.5Å; I77-F101 HydrophobicContact CD1-CG 4.47Å; I77-K103 HydrophobicContact CG2-CB 4.29Å; I77-Y132 HydrophobicContact CB-CD1 3.8Å; I77-Y132 HydrophobicContact CB-CG 4.27Å; I77-Y132 HydrophobicContact CD1-CD1 3.19Å; I77-Y132 HydrophobicContact CD1-CD2 4.26Å; I77-Y132 HydrophobicContact CD1-CE1 3.16Å; I77-Y132 HydrophobicContact CD1-CE2 4.16Å; I77-Y132 HydrophobicContact CD1-CG 3.81Å; I77-Y132 HydrophobicContact CG1-CD1 3.88Å; I77-Y132 HydrophobicContact CG1-CE1 4.32Å; I77-Y132 HydrophobicContact CG1-CG 4.25Å; I77-Y132 HydrophobicContact CG2-CD1 4.25Å; I77-Y132 PolarHBondContact N-O 3.49Å; I77-V134 HydrophobicContact CD1-CG2 3.16Å; I77-V134 HydrophobicContact CG1-CG2 3.67Å
78	H	86	Confident	93.4	Very high	139 Å²	139	75.1 Å²	75.1	64%	0.644	37%	0.37	S	S	*	.	S	Bend	trans	-92.7	-42.5	171.6	-64.5	-67.9	0	0	0	113.2	K103	H78-K103 WeakPolarHBondContact O-CD 3.28Å
79	V	89.2	Confident	93.3	Very high	109 Å²	109	75 Å²	75	66%	0.661	37%	0.369	S	S	*	.	S	Bend	trans	-137.3	-64.6	179.4	-172	0	0	0	0	110.6	K103	V79-K103 PolarHBondContact O-N 3.12Å
80	V	92.3	Very high	93.1	Very high	59 Å²	59	74.7 Å²	74.7	36%	0.358	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.9	175.6	-178.5	0	0	0	0	109.2	K82 D100 F101 H102	V80-K82 HydrophobicContact CG1-CG 4.23Å; V80-D100 HydrophobicContact CG1-CB 3.93Å; V80-F101 VanDerWaalsContact CA-O 3.32Å; V80-F101 WeakPolarHBondContact CA-O 3.41Å; V80-H102 VanDerWaalsContact CG2-ND1 3.31Å; V80-H102 WeakPolarHBondContact CG2-ND1 3.43Å
81	Y	94.4	Very high	93.2	Very high	63 Å²	63	72.9 Å²	72.9	25%	0.247	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.7	166.8	-174.9	-80.9	0	0	0	109.2	N75 A83 F101 V134 H136	N75-Y81 HydrophobicContact CB-CD2 4.37Å; N75-Y81 HydrophobicContact CB-CE2 3.83Å; N75-Y81 PolarHBondContact ND2-OH 3.15Å; Y81-A83 HydrophobicContact CD1-CB 4.27Å; Y81-A83 HydrophobicContact CE1-CB 4.09Å; Y81-F101 HydrophobicContact CD1-CD2 4.15Å; Y81-F101 PolarHBondContact N-O 3.18Å; Y81-F101 PolarHBondContact O-N 3.09Å; Y81-V134 HydrophobicContact CD1-CB 4.38Å; Y81-V134 HydrophobicContact CD1-CG1 4Å; Y81-V134 HydrophobicContact CD1-CG2 4.19Å; Y81-V134 HydrophobicContact CE1-CG1 3.94Å; Y81-V134 HydrophobicContact CG-CG2 4.19Å; Y81-H136 HydrophobicContact CE1-CB 4.44Å; Y81-H136 AromaticContact CE1-ND1 3.76Å
82	K	94.2	Very high	93.1	Very high	114 Å²	114	66.6 Å²	66.6	50%	0.496	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.1	-179.2	-58.9	-176.2	152.4	-75.8	0	109.5	V80 E98 D100	V80-K82 HydrophobicContact CG1-CG 4.23Å; K82-E98 HydrophobicContact CB-CG 4.45Å; K82-E98 IonicContact NZ-OE1 3.46Å; K82-E98 PolarHBondContact NZ-OE1 2.94Å; K82-D100 WeakPolarHBondContact CG-OD1 3.36Å; K82-D100 IonicContact NZ-OD1 2.76Å; K82-D100 PolarHBondContact NZ-OD1 3.26Å; K82-D100 IonicContact NZ-OD2 3.4Å; K82-D100 PolarHBondContact NZ-OD2 3.24Å
83	A	94.1	Very high	92.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.7	178.8	0	0	0	0	0	110.9	Y81 E98 I99 F101	Y81-A83 HydrophobicContact CD1-CB 4.27Å; Y81-A83 HydrophobicContact CE1-CB 4.09Å; A83-E98 WeakPolarHBondContact O-CA 3.46Å; A83-I99 PolarHBondContact N-O 3.47Å; A83-I99 PolarHBondContact O-N 3.36Å; A83-F101 HydrophobicContact CB-CD2 4.27Å; A83-F101 HydrophobicContact CB-CE2 3.72Å
84	R	94.8	Very high	92.4	Very high	167 Å²	167	67 Å²	67	63%	0.63	35%	0.348	S	S	*	.			trans	-103.4	117.5	166	-65.4	-170.6	-177.3	104.3	13.9	108.8	E98 H136	R84-E98 IonicContact CZ-OE2 2.63Å; R84-E98 IonicContact NE-OE2 3.36Å; R84-E98 PolarHBondContact NE-OE2 2.99Å; R84-E98 IonicContact NH2-OE2 3.07Å; R84-E98 PolarHBondContact NH2-OE2 3.38Å; R84-H136 PolarHBondContact O-NE2 3.2Å
85	P	93.8	Very high	92.3	Very high	24 Å²	24	63.2 Å²	63.2	16%	0.156	33%	0.333	C	S	.	.			trans	-57.1	138.8	172.6	-22.1	32.1	0	0	0	111.1	F87 I89 I99 L141	P85-F87 HydrophobicContact CB-CD2 4.28Å; P85-F87 HydrophobicContact CB-CE1 4.45Å; P85-F87 HydrophobicContact CB-CE2 4.22Å; P85-F87 HydrophobicContact CB-CG 4.46Å; P85-F87 HydrophobicContact CB-CZ 4.32Å; P85-F87 WeakPolarHBondContact CB-O 3.08Å; P85-I89 HydrophobicContact CB-CG2 4.09Å; P85-I89 HydrophobicContact CG-CG2 3.83Å; P85-I99 HydrophobicContact CG-CD1 3.71Å; P85-I99 HydrophobicContact CG-CG1 4.12Å; P85-L141 HydrophobicContact CB-CD1 3.97Å; P85-L141 HydrophobicContact CG-CD1 3.73Å
86	Q	93.1	Very high	92.3	Very high	127 Å²	127	60.6 Å²	60.6	59%	0.593	32%	0.318	S	S	*	.	S	Bend	trans	-90.1	9.9	172.2	-60.9	-176.9	29.6	0	0	112.1	K138	Q86-K138 HydrophobicContact CB-CG 4.31Å
87	F	93.5	Very high	92.3	Very high	33 Å²	33	63.3 Å²	63.3	15%	0.145	32%	0.324	C	S	.	.	S	Bend	trans	-133.7	154.3	178.4	50.3	-92.7	0	0	0	109.2	P85 I89 K138 L141 I164 P166	P85-F87 HydrophobicContact CB-CD2 4.28Å; P85-F87 HydrophobicContact CB-CE1 4.45Å; P85-F87 HydrophobicContact CB-CE2 4.22Å; P85-F87 HydrophobicContact CB-CG 4.46Å; P85-F87 HydrophobicContact CB-CZ 4.32Å; P85-F87 WeakPolarHBondContact CB-O 3.08Å; F87-I89 HydrophobicContact CD2-CB 4.12Å; F87-I89 HydrophobicContact CD2-CG2 4.43Å; F87-I89 HydrophobicContact CE2-CB 4.09Å; F87-I89 HydrophobicContact CE2-CD1 4.24Å; F87-I89 HydrophobicContact CE2-CG2 4.27Å; F87-I89 PolarHBondContact O-N 2.78Å; F87-K138 VanDerWaalsContact CD1-O 3.25Å; F87-K138 WeakPolarHBondContact CD1-O 3.35Å; F87-L141 HydrophobicContact CE1-CD1 4.5Å; F87-L141 HydrophobicContact CE1-CG 4.06Å; F87-L141 HydrophobicContact CZ-CD1 4.12Å; F87-L141 HydrophobicContact CZ-CG 3.91Å; F87-I164 HydrophobicContact CE2-CG2 4.47Å; F87-P166 HydrophobicContact CB-CB 4.15Å; F87-P166 HydrophobicContact CD1-CG 4.25Å; F87-P166 HydrophobicContact CD2-CB 4.09Å; F87-P166 HydrophobicContact CD2-CG 4.46Å; F87-P166 HydrophobicContact CE1-CG 4.46Å; F87-P166 HydrophobicContact CG-CB 4.02Å; F87-P166 HydrophobicContact CG-CG 4.22Å
88	S	91.2	Very high	92.6	Very high	95 Å²	95	64.5 Å²	64.5	66%	0.664	33%	0.329	S	S	*	.			trans	-72.8	126.7	175.6	-61.1	0	0	0	0	109.9
89	I	93.4	Very high	93	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	30%	0.298	C	S	.	.			trans	-137.8	144.7	176.7	-176	172	0	0	0	110.6	P85 F87 I96 I164	P85-I89 HydrophobicContact CB-CG2 4.09Å; P85-I89 HydrophobicContact CG-CG2 3.83Å; F87-I89 HydrophobicContact CD2-CB 4.12Å; F87-I89 HydrophobicContact CD2-CG2 4.43Å; F87-I89 HydrophobicContact CE2-CB 4.09Å; F87-I89 HydrophobicContact CE2-CD1 4.24Å; F87-I89 HydrophobicContact CE2-CG2 4.27Å; F87-I89 PolarHBondContact O-N 2.78Å; I89-I96 HydrophobicContact CD1-CD1 4.35Å; I89-I96 HydrophobicContact CG1-CD1 4.07Å; I89-I96 HydrophobicContact CG2-CB 3.92Å; I89-I96 HydrophobicContact CG2-CD1 4.04Å; I89-I96 HydrophobicContact CG2-CG1 4.49Å; I89-I96 HydrophobicContact CG2-CG2 4.45Å; I89-I96 PolarHBondContact O-N 3.08Å; I89-I164 HydrophobicContact CD1-CG2 3.09Å
90	S	92.7	Very high	93.3	Very high	52 Å²	52	53 Å²	53	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.7	174.4	-62.1	0	0	0	0	110.5	S94	S90-S94 CarbonylContact C-O 3.56Å; S90-S94 WeakPolarHBondContact CA-O 3.45Å
91	F	94.8	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.1	174.9	-176.1	-109.5	0	0	0	109.1	Y56 G93 S94 I96 Y110 I117 T120 L170 I190 V191	Y56-F91 WeakPolarHBondContact OH-CA 3.06Å; Y56-F91 WeakPolarHBondContact OH-CD2 3.15Å; F91-G93 PolarHBondContact O-N 3.13Å; F91-S94 PolarHBondContact N-O 3.28Å; F91-S94 PolarHBondContact O-N 3.36Å; F91-I96 HydrophobicContact CB-CD1 3.45Å; F91-I96 VanDerWaalsContact CB-CD1 3.45Å; F91-I96 HydrophobicContact CB-CG1 4.05Å; F91-Y110 AromaticContact CD1-CD2 3.86Å; F91-Y110 HydrophobicContact CD1-CD2 3.86Å; F91-Y110 HydrophobicContact CD1-CG 4.2Å; F91-Y110 HydrophobicContact CD2-CD2 4.43Å; F91-Y110 HydrophobicContact CD2-CE2 4.41Å; F91-Y110 AromaticContact CE1-CD2 3.89Å; F91-Y110 HydrophobicContact CE1-CD2 3.89Å; F91-Y110 HydrophobicContact CE1-CE2 4.36Å; F91-Y110 HydrophobicContact CE2-CD2 4.46Å; F91-Y110 HydrophobicContact CE2-CE2 4.22Å; F91-Y110 HydrophobicContact CG-CD2 4.15Å; F91-Y110 HydrophobicContact CG-CG 4.3Å; F91-Y110 HydrophobicContact CZ-CD2 4.2Å; F91-Y110 HydrophobicContact CZ-CE2 4.2Å; F91-I117 HydrophobicContact CB-CG2 4.4Å; F91-I117 HydrophobicContact CD1-CG2 4.01Å; F91-I117 WeakPolarHBondContact O-CG2 3.34Å; F91-T120 HydrophobicContact CE2-CG2 4.34Å; F91-T120 HydrophobicContact CZ-CG2 4.49Å; F91-L170 HydrophobicContact CD2-CD1 3.91Å; F91-L170 HydrophobicContact CE2-CD1 3.64Å; F91-I190 HydrophobicContact CE2-CB 4.2Å; F91-I190 HydrophobicContact CE2-CD1 4.25Å; F91-I190 HydrophobicContact CZ-CB 4.12Å; F91-V191 WeakPolarHBondContact CE1-O 3.32Å
92	Y	93.2	Very high	93.2	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.02	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	46.2	-169	-74.8	-83.2	0	0	0	113.1	Y54 Y55 Y56 S94 I190 G192 P203	Y54-Y92 HydrophobicContact CD1-CD1 4.28Å; Y54-Y92 HydrophobicContact CD1-CE1 4.17Å; Y54-Y92 HydrophobicContact CE1-CD1 4.4Å; Y55-Y92 HydrophobicContact CD1-CD1 4.48Å; Y55-Y92 HydrophobicContact CG-CD1 4.07Å; Y56-Y92 HydrophobicContact CD2-CD1 4.29Å; Y56-Y92 AromaticContact CD2-CE1 3.85Å; Y56-Y92 HydrophobicContact CD2-CE1 3.85Å; Y56-Y92 HydrophobicContact CD2-CE2 4.27Å; Y56-Y92 AromaticContact CD2-CZ 3.85Å; Y56-Y92 AromaticContact CE2-CD1 3.9Å; Y56-Y92 HydrophobicContact CE2-CD1 3.9Å; Y56-Y92 AromaticContact CE2-CD2 3.81Å; Y56-Y92 HydrophobicContact CE2-CD2 3.81Å; Y56-Y92 AromaticContact CE2-CE1 3.83Å; Y56-Y92 HydrophobicContact CE2-CE1 3.83Å; Y56-Y92 AromaticContact CE2-CE2 3.75Å; Y56-Y92 HydrophobicContact CE2-CE2 3.75Å; Y56-Y92 AromaticContact CE2-CG 3.89Å; Y56-Y92 HydrophobicContact CE2-CG 3.89Å; Y56-Y92 AromaticContact CE2-CZ 3.78Å; Y56-Y92 PolarHBondContact OH-N 2.96Å; Y56-Y92 VanDerWaalsContact OH-N 3.09Å; Y92-S94 PolarHBondContact O-N 2.91Å; Y92-I190 HydrophobicContact CE2-CD1 4.16Å; Y92-I190 HydrophobicContact CE2-CG1 4.25Å; Y92-G192 VanDerWaalsContact CE2-N 3.3Å; Y92-P203 HydrophobicContact CD1-CB 4.39Å; Y92-P203 HydrophobicContact CD1-CG 3.7Å; Y92-P203 HydrophobicContact CE1-CB 3.74Å; Y92-P203 HydrophobicContact CE1-CG 3.5Å; Y92-P203 HydrophobicContact CG-CG 4.36Å; Y92-P203 PolarHBondContact OH-O 3.39Å
93	G	90	Very high	92.8	Very high	42 Å²	42	47.9 Å²	47.9	43%	0.433	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-2.5	178.5	0	0	0	0	0	116.2	Y55 F91	Y55-G93 VanDerWaalsContact CE1-N 3.25Å; Y55-G93 WeakPolarHBondContact OH-CA 3.4Å; Y55-G93 PolarHBondContact OH-N 3.35Å; F91-G93 PolarHBondContact O-N 3.13Å
94	S	91.1	Very high	92.2	Very high	50 Å²	50	56.7 Å²	56.7	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.9	177.4	-64	0	0	0	0	111	S90 F91 Y92	S90-S94 CarbonylContact C-O 3.56Å; S90-S94 WeakPolarHBondContact CA-O 3.45Å; F91-S94 PolarHBondContact N-O 3.28Å; F91-S94 PolarHBondContact O-N 3.36Å; Y92-S94 PolarHBondContact O-N 2.91Å
95	H	91.8	Very high	91.4	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.389	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139	175.3	-175.5	-69.9	0	0	0	110.7	F112 I117	H95-F112 HydrophobicContact CB-CD2 4.28Å; H95-F112 HydrophobicContact CB-CE2 4.25Å; H95-F112 AromaticContact ND1-CD2 3.99Å; H95-F112 AromaticContact ND1-CE2 3.95Å; H95-F112 WeakPolarHBondContact O-CB 3.46Å; H95-F112 WeakPolarHBondContact O-CD2 3.5Å; H95-I117 VanDerWaalsContact O-CD1 3.24Å; H95-I117 WeakPolarHBondContact O-CD1 3.44Å
96	I	92.8	Very high	90.5	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-103.2	139.1	179.8	-59.9	164.5	0	0	0	109.8	I89 F91 E98 I99 Y110 I117	I89-I96 HydrophobicContact CD1-CD1 4.35Å; I89-I96 HydrophobicContact CG1-CD1 4.07Å; I89-I96 HydrophobicContact CG2-CB 3.92Å; I89-I96 HydrophobicContact CG2-CD1 4.04Å; I89-I96 HydrophobicContact CG2-CG1 4.49Å; I89-I96 HydrophobicContact CG2-CG2 4.45Å; I89-I96 PolarHBondContact O-N 3.08Å; F91-I96 HydrophobicContact CB-CD1 3.45Å; F91-I96 VanDerWaalsContact CB-CD1 3.45Å; F91-I96 HydrophobicContact CB-CG1 4.05Å; I96-E98 WeakPolarHBondContact CG2-O 3.49Å; I96-I99 HydrophobicContact CG2-CD1 4.25Å; I96-I99 HydrophobicContact CG2-CG1 3.67Å; I96-Y110 HydrophobicContact CD1-CD1 3.39Å; I96-Y110 HydrophobicContact CD1-CE1 4.11Å; I96-Y110 HydrophobicContact CD1-CG 4Å; I96-Y110 HydrophobicContact CG1-CD1 4.26Å; I96-Y110 HydrophobicContact CG2-CD1 4.33Å; I96-I117 HydrophobicContact CG1-CD1 4.32Å
97	R	93.7	Very high	90.1	Very high	152 Å²	152	47.3 Å²	47.3	57%	0.574	24%	0.239	S	C	*	.	S	Bend	trans	-113.1	-32.3	173.5	-76.6	-179	178.6	-160	0.6	113	E111 F112	R97-E111 PolarHBondContact N-O 2.04Å; R97-F112 HydrophobicContact CB-CD2 4.45Å; R97-F112 HydrophobicContact CG-CD2 3.64Å; R97-F112 HydrophobicContact CG-CE2 3.87Å; R97-F112 HydrophobicContact CG-CG 4.5Å
98	E	94.8	Very high	89.9	Confident	27 Å²	27	45.8 Å²	45.8	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.1	-177.4	-169.8	161.7	103.9	0	0	108.9	K82 A83 R84 I96 E111	K82-E98 HydrophobicContact CB-CG 4.45Å; K82-E98 IonicContact NZ-OE1 3.46Å; K82-E98 PolarHBondContact NZ-OE1 2.94Å; A83-E98 WeakPolarHBondContact O-CA 3.46Å; R84-E98 IonicContact CZ-OE2 2.63Å; R84-E98 IonicContact NE-OE2 3.36Å; R84-E98 PolarHBondContact NE-OE2 2.99Å; R84-E98 IonicContact NH2-OE2 3.07Å; R84-E98 PolarHBondContact NH2-OE2 3.38Å; I96-E98 WeakPolarHBondContact CG2-O 3.49Å; E98-E111 PolarHBondContact N-O 2.98Å; E98-E111 PolarHBondContact O-N 3.24Å
99	I	95.2	Very high	89.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	178.7	-59.2	-177.2	0	0	0	107.2	A83 P85 I96 F101 T108 A109 Y110 L141 I164	A83-I99 PolarHBondContact N-O 3.47Å; A83-I99 PolarHBondContact O-N 3.36Å; P85-I99 HydrophobicContact CG-CD1 3.71Å; P85-I99 HydrophobicContact CG-CG1 4.12Å; I96-I99 HydrophobicContact CG2-CD1 4.25Å; I96-I99 HydrophobicContact CG2-CG1 3.67Å; I99-F101 HydrophobicContact CB-CE2 4.48Å; I99-F101 HydrophobicContact CG2-CD2 4.32Å; I99-F101 HydrophobicContact CG2-CE1 4.26Å; I99-F101 HydrophobicContact CG2-CE2 3.87Å; I99-F101 HydrophobicContact CG2-CZ 3.83Å; I99-T108 HydrophobicContact CG2-CG2 3.27Å; I99-A109 WeakPolarHBondContact CA-O 3.47Å; I99-Y110 HydrophobicContact CD1-CD1 4.06Å; I99-Y110 HydrophobicContact CD1-CE1 3.96Å; I99-Y110 HydrophobicContact CG1-CD1 3.96Å; I99-Y110 HydrophobicContact CG1-CE1 4.29Å; I99-Y110 HydrophobicContact CG2-CD1 4.4Å; I99-Y110 HydrophobicContact CG2-CE1 4.28Å; I99-L141 HydrophobicContact CD1-CD1 3.77Å; I99-I164 HydrophobicContact CD1-CD1 3.91Å; I99-I164 HydrophobicContact CG2-CD1 4.35Å
100	D	94.4	Very high	89.6	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.7	-178.3	-78.9	14.1	0	0	0	109.1	V80 K82 H102 T108 A109	V80-D100 HydrophobicContact CG1-CB 3.93Å; K82-D100 WeakPolarHBondContact CG-OD1 3.36Å; K82-D100 IonicContact NZ-OD1 2.76Å; K82-D100 PolarHBondContact NZ-OD1 3.26Å; K82-D100 IonicContact NZ-OD2 3.4Å; K82-D100 PolarHBondContact NZ-OD2 3.24Å; D100-H102 PolarHBondContact O-CD2 2.76Å; D100-H102 VanDerWaalsContact O-CD2 3.24Å; D100-T108 CarbonylContact O-C 3.57Å; D100-T108 WeakPolarHBondContact O-CA 3.43Å; D100-A109 HydrophobicContact CB-CB 4.32Å; D100-A109 PolarHBondContact N-O 3.43Å; D100-A109 PolarHBondContact O-N 2.97Å
101	F	94.4	Very high	89.2	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.1	174.9	-63.4	-82.1	0	0	0	109.2	I77 V80 Y81 A83 I99 T108 Y132 V134 A143 I164	I77-F101 HydrophobicContact CD1-CB 3.5Å; I77-F101 VanDerWaalsContact CD1-CB 3.5Å; I77-F101 HydrophobicContact CD1-CG 4.47Å; V80-F101 VanDerWaalsContact CA-O 3.32Å; V80-F101 WeakPolarHBondContact CA-O 3.41Å; Y81-F101 HydrophobicContact CD1-CD2 4.15Å; Y81-F101 PolarHBondContact N-O 3.18Å; Y81-F101 PolarHBondContact O-N 3.09Å; A83-F101 HydrophobicContact CB-CD2 4.27Å; A83-F101 HydrophobicContact CB-CE2 3.72Å; I99-F101 HydrophobicContact CB-CE2 4.48Å; I99-F101 HydrophobicContact CG2-CD2 4.32Å; I99-F101 HydrophobicContact CG2-CE1 4.26Å; I99-F101 HydrophobicContact CG2-CE2 3.87Å; I99-F101 HydrophobicContact CG2-CZ 3.83Å; F101-T108 HydrophobicContact CD1-CG2 3.61Å; F101-T108 WeakPolarHBondContact CD1-OG1 3.39Å; F101-T108 HydrophobicContact CE1-CG2 3.49Å; F101-T108 VanDerWaalsContact CE1-CG2 3.49Å; F101-T108 HydrophobicContact CG-CG2 4.39Å; F101-T108 HydrophobicContact CZ-CG2 4.19Å; F101-Y132 HydrophobicContact CB-CE1 4.07Å; F101-Y132 WeakPolarHBondContact CD1-OH 3.25Å; F101-V134 HydrophobicContact CB-CG2 4.14Å; F101-V134 HydrophobicContact CD2-CG1 4.21Å; F101-V134 HydrophobicContact CD2-CG2 4.01Å; F101-V134 HydrophobicContact CE2-CG1 4.05Å; F101-V134 HydrophobicContact CG-CG2 3.99Å; F101-A143 HydrophobicContact CD1-CB 3.54Å; F101-A143 HydrophobicContact CE1-CB 3.64Å; F101-I164 HydrophobicContact CE1-CD1 4.37Å; F101-I164 HydrophobicContact CZ-CD1 4.21Å
102	H	91.3	Very high	88.7	Confident	55 Å²	55	45 Å²	45	26%	0.255	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.8	-178.1	-64.2	-90.7	0	0	0	111.2	V80 D100 R104 D107 Y132 W145	V80-H102 VanDerWaalsContact CG2-ND1 3.31Å; V80-H102 WeakPolarHBondContact CG2-ND1 3.43Å; D100-H102 PolarHBondContact O-CD2 2.76Å; D100-H102 VanDerWaalsContact O-CD2 3.24Å; H102-R104 PolarHBondContact O-N 3.19Å; H102-D107 HydrophobicContact CB-CB 4.27Å; H102-D107 WeakPolarHBondContact CB-O 3.2Å; H102-D107 PolarHBondContact N-O 2.91Å; H102-Y132 VanDerWaalsContact O-CE1 3.3Å; H102-Y132 WeakPolarHBondContact O-CE1 3.13Å; H102-W145 WeakPolarHBondContact O-CH2 3.48Å; H102-W145 WeakPolarHBondContact O-CZ2 3.31Å
103	K	85.7	Confident	88	Confident	71 Å²	71	47 Å²	47	31%	0.309	23%	0.234	S	C	.	.	S	Bend	trans	-66.9	-21.3	172.7	-175.7	-179.8	177.7	-178.4	0	113	I77 H78 V79 Y132 W145	I77-K103 HydrophobicContact CG2-CB 4.29Å; H78-K103 WeakPolarHBondContact O-CD 3.28Å; V79-K103 PolarHBondContact O-N 3.12Å; K103-Y132 HydrophobicContact CB-CD1 4.38Å; K103-W145 VanDerWaalsContact C-CH2 3.43Å; K103-W145 WeakPolarHBondContact O-CH2 3.39Å; K103-W145 VanDerWaalsContact O-CZ3 3.3Å; K103-W145 WeakPolarHBondContact O-CZ3 3.49Å
104	R	81.6	Confident	87.4	Confident	185 Å²	185	57 Å²	57	70%	0.698	26%	0.259	S	S	*	.	S	Bend	trans	-89.6	133.3	179.3	-163.8	-174.6	158.8	160.3	-7.3	109.3	H102 G106	H102-R104 PolarHBondContact O-N 3.19Å; R104-G106 VanDerWaalsContact C-N 3.34Å; R104-G106 PolarHBondContact O-N 2.99Å
105	H	77.1	Confident	87.2	Confident	81 Å²	81	57 Å²	57	38%	0.375	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	19.5	174	-60.7	-63.8	0	0	0	118.3	D107 Y123	H105-D107 PolarHBondContact O-N 2.78Å; H105-Y123 WeakPolarHBondContact O-CD1 3.41Å
106	G	74.3	Confident	87.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-3.3	178.1	0	0	0	0	0	114.7	R104 T108	R104-G106 VanDerWaalsContact C-N 3.34Å; R104-G106 PolarHBondContact O-N 2.99Å; G106-T108 PolarHBondContact O-N 3.26Å
107	D	86.3	Confident	87.2	Confident	41 Å²	41	57.9 Å²	57.9	22%	0.219	26%	0.26	C	S	.	.			trans	-75.3	131.4	-158.6	-74.4	-41.5	0	0	0	112	H102 H105 N119 T120	H102-D107 HydrophobicContact CB-CB 4.27Å; H102-D107 WeakPolarHBondContact CB-O 3.2Å; H102-D107 PolarHBondContact N-O 2.91Å; H105-D107 PolarHBondContact O-N 2.78Å; D107-N119 PolarHBondContact OD1-ND2 2.74Å; D107-T120 WeakPolarHBondContact CA-O 3.39Å
108	T	89.2	Confident	87.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.6	162.8	-54.7	0	0	0	0	107.2	I99 D100 F101 G106 Y110 N119 T120 I164	I99-T108 HydrophobicContact CG2-CG2 3.27Å; D100-T108 CarbonylContact O-C 3.57Å; D100-T108 WeakPolarHBondContact O-CA 3.43Å; F101-T108 HydrophobicContact CD1-CG2 3.61Å; F101-T108 WeakPolarHBondContact CD1-OG1 3.39Å; F101-T108 HydrophobicContact CE1-CG2 3.49Å; F101-T108 VanDerWaalsContact CE1-CG2 3.49Å; F101-T108 HydrophobicContact CG-CG2 4.39Å; F101-T108 HydrophobicContact CZ-CG2 4.19Å; G106-T108 PolarHBondContact O-N 3.26Å; T108-Y110 HydrophobicContact CG2-CE1 4.32Å; T108-Y110 HydrophobicContact CG2-CE2 4.48Å; T108-Y110 VanDerWaalsContact O-CE2 3.28Å; T108-Y110 WeakPolarHBondContact O-CE2 3.38Å; T108-N119 CarbonylContact O-C 3.43Å; T108-N119 WeakPolarHBondContact O-CA 3.32Å; T108-N119 WeakPolarHBondContact O-CB 3.32Å; T108-T120 WeakPolarHBondContact CB-OG1 3.01Å; T108-T120 PolarHBondContact N-O 2.88Å; T108-T120 PolarHBondContact O-N 2.99Å; T108-I164 HydrophobicContact CG2-CD1 4.29Å
109	A	90.2	Very high	87.3	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.4	-179	0	0	0	0	0	110.5	I99 D100 Y116	I99-A109 WeakPolarHBondContact CA-O 3.47Å; D100-A109 HydrophobicContact CB-CB 4.32Å; D100-A109 PolarHBondContact N-O 3.43Å; D100-A109 PolarHBondContact O-N 2.97Å; A109-Y116 HydrophobicContact CB-CE2 4.15Å
110	Y	86.8	Confident	87.4	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	-179.4	-58.3	-83.5	0	0	0	109.9	F91 I96 I99 T108 I117 G118 T120 I164	F91-Y110 AromaticContact CD1-CD2 3.86Å; F91-Y110 HydrophobicContact CD1-CD2 3.86Å; F91-Y110 HydrophobicContact CD1-CG 4.2Å; F91-Y110 HydrophobicContact CD2-CD2 4.43Å; F91-Y110 HydrophobicContact CD2-CE2 4.41Å; F91-Y110 AromaticContact CE1-CD2 3.89Å; F91-Y110 HydrophobicContact CE1-CD2 3.89Å; F91-Y110 HydrophobicContact CE1-CE2 4.36Å; F91-Y110 HydrophobicContact CE2-CD2 4.46Å; F91-Y110 HydrophobicContact CE2-CE2 4.22Å; F91-Y110 HydrophobicContact CG-CD2 4.15Å; F91-Y110 HydrophobicContact CG-CG 4.3Å; F91-Y110 HydrophobicContact CZ-CD2 4.2Å; F91-Y110 HydrophobicContact CZ-CE2 4.2Å; I96-Y110 HydrophobicContact CD1-CD1 3.39Å; I96-Y110 HydrophobicContact CD1-CE1 4.11Å; I96-Y110 HydrophobicContact CD1-CG 4Å; I96-Y110 HydrophobicContact CG1-CD1 4.26Å; I96-Y110 HydrophobicContact CG2-CD1 4.33Å; I99-Y110 HydrophobicContact CD1-CD1 4.06Å; I99-Y110 HydrophobicContact CD1-CE1 3.96Å; I99-Y110 HydrophobicContact CG1-CD1 3.96Å; I99-Y110 HydrophobicContact CG1-CE1 4.29Å; I99-Y110 HydrophobicContact CG2-CD1 4.4Å; I99-Y110 HydrophobicContact CG2-CE1 4.28Å; T108-Y110 HydrophobicContact CG2-CE1 4.32Å; T108-Y110 HydrophobicContact CG2-CE2 4.48Å; T108-Y110 VanDerWaalsContact O-CE2 3.28Å; T108-Y110 WeakPolarHBondContact O-CE2 3.38Å; Y110-I117 WeakPolarHBondContact O-CB 3.05Å; Y110-I117 PolarHBondContact O-N 2.9Å; Y110-G118 PolarHBondContact N-O 2.87Å; Y110-T120 HydrophobicContact CE2-CG2 3.75Å; Y110-T120 WeakPolarHBondContact OH-CG2 3.33Å; Y110-T120 PolarHBondContact OH-OG1 2.8Å; Y110-I164 HydrophobicContact CE1-CD1 3.96Å
111	E	85.3	Confident	87.4	Confident	45 Å²	45	51.1 Å²	51.1	21%	0.21	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.9	-175.3	-60.2	-166.2	167.7	0	0	112.6	R97 E98 S115	R97-E111 PolarHBondContact N-O 2.04Å; E98-E111 PolarHBondContact N-O 2.98Å; E98-E111 PolarHBondContact O-N 3.24Å; E111-S115 WeakPolarHBondContact CA-O 3.31Å
112	F	83.6	Confident	87.4	Confident	83 Å²	83	51.1 Å²	51.1	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.3	165.5	-177.9	-90.5	0	0	0	110.1	H95 R97 R114 S115 I117	H95-F112 HydrophobicContact CB-CD2 4.28Å; H95-F112 HydrophobicContact CB-CE2 4.25Å; H95-F112 AromaticContact ND1-CD2 3.99Å; H95-F112 AromaticContact ND1-CE2 3.95Å; H95-F112 WeakPolarHBondContact O-CB 3.46Å; H95-F112 WeakPolarHBondContact O-CD2 3.5Å; R97-F112 HydrophobicContact CB-CD2 4.45Å; R97-F112 HydrophobicContact CG-CD2 3.64Å; R97-F112 HydrophobicContact CG-CE2 3.87Å; R97-F112 HydrophobicContact CG-CG 4.5Å; F112-R114 PolarHBondContact O-N 2.97Å; F112-R114 VanDerWaalsContact O-N 3.15Å; F112-S115 PolarHBondContact N-O 2.9Å; F112-S115 PolarHBondContact O-N 3.47Å; F112-S115 VanDerWaalsContact O-N 3.09Å; F112-I117 HydrophobicContact CB-CD1 3.55Å; F112-I117 HydrophobicContact CB-CG1 4.29Å
113	G	79.3	Confident	87.5	Confident	47 Å²	47	50.2 Å²	50.2	49%	0.485	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-108.3	-174.4	0	0	0	0	0	110.6
114	R	76	Confident	87.7	Confident	252 Å²	252	46.9 Å²	46.9	95%	0.951	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	17.2	173.6	-62.9	-175.3	-179	175.2	-0.1	112.3	F112	F112-R114 PolarHBondContact O-N 2.97Å; F112-R114 VanDerWaalsContact O-N 3.15Å
115	S	87.3	Confident	88	Confident	51 Å²	51	41.2 Å²	41.2	36%	0.357	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.1	-178.2	-64.7	0	0	0	0	109.9	E111 F112	E111-S115 WeakPolarHBondContact CA-O 3.31Å; F112-S115 PolarHBondContact N-O 2.9Å; F112-S115 PolarHBondContact O-N 3.47Å; F112-S115 VanDerWaalsContact O-N 3.09Å
116	Y	91.5	Very high	88.4	Confident	99 Å²	99	43.5 Å²	43.5	39%	0.388	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129	169.9	-178.8	-104.3	0	0	0	110.7	A109 G118 N119	A109-Y116 HydrophobicContact CB-CE2 4.15Å; Y116-G118 VanDerWaalsContact CE1-CA 3.49Å; Y116-G118 WeakPolarHBondContact CE2-O 3.16Å; Y116-G118 VanDerWaalsContact OH-C 3.23Å; Y116-N119 VanDerWaalsContact OH-CB 3.3Å; Y116-N119 WeakPolarHBondContact OH-CB 3.3Å; Y116-N119 PolarHBondContact OH-N 3.2Å; Y116-N119 PolarHBondContact OH-OD1 3.12Å
117	I	92.7	Very high	89.1	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.046	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-30	177.1	-62.8	172.7	0	0	0	111	F91 H95 I96 Y110 F112 G192 S193	F91-I117 HydrophobicContact CB-CG2 4.4Å; F91-I117 HydrophobicContact CD1-CG2 4.01Å; F91-I117 WeakPolarHBondContact O-CG2 3.34Å; H95-I117 VanDerWaalsContact O-CD1 3.24Å; H95-I117 WeakPolarHBondContact O-CD1 3.44Å; I96-I117 HydrophobicContact CG1-CD1 4.32Å; Y110-I117 WeakPolarHBondContact O-CB 3.05Å; Y110-I117 PolarHBondContact O-N 2.9Å; F112-I117 HydrophobicContact CB-CD1 3.55Å; F112-I117 HydrophobicContact CB-CG1 4.29Å; I117-G192 CarbonylContact O-C 3.41Å; I117-S193 VanDerWaalsContact C-CB 3.5Å; I117-S193 WeakPolarHBondContact O-CA 3.48Å; I117-S193 WeakPolarHBondContact O-CB 3Å; I117-S193 PolarHBondContact O-N 3.42Å
118	G	95.5	Very high	89.3	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-173.3	-176	0	0	0	0	0	111.5	Y110 Y116 V191	Y110-G118 PolarHBondContact N-O 2.87Å; Y116-G118 VanDerWaalsContact CE1-CA 3.49Å; Y116-G118 WeakPolarHBondContact CE2-O 3.16Å; Y116-G118 VanDerWaalsContact OH-C 3.23Å; G118-V191 CarbonylContact C-O 3.55Å; G118-V191 WeakPolarHBondContact CA-O 3.3Å
119	N	96.2	Very high	89.4	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.6	179.9	67.1	-55.5	0	0	0	112	D107 T108 Y116 V191	D107-N119 PolarHBondContact OD1-ND2 2.74Å; T108-N119 CarbonylContact O-C 3.43Å; T108-N119 WeakPolarHBondContact O-CA 3.32Å; T108-N119 WeakPolarHBondContact O-CB 3.32Å; Y116-N119 VanDerWaalsContact OH-CB 3.3Å; Y116-N119 WeakPolarHBondContact OH-CB 3.3Å; Y116-N119 PolarHBondContact OH-N 3.2Å; Y116-N119 PolarHBondContact OH-OD1 3.12Å; N119-V191 PolarHBondContact N-O 3.34Å; N119-V191 PolarHBondContact O-N 2.85Å
120	T	96.7	Very high	89.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.6	159.1	55.9	0	0	0	0	109	F91 D107 T108 Y110 L170 F172 G189 I190	F91-T120 HydrophobicContact CE2-CG2 4.34Å; F91-T120 HydrophobicContact CZ-CG2 4.49Å; D107-T120 WeakPolarHBondContact CA-O 3.39Å; T108-T120 WeakPolarHBondContact CB-OG1 3.01Å; T108-T120 PolarHBondContact N-O 2.88Å; T108-T120 PolarHBondContact O-N 2.99Å; Y110-T120 HydrophobicContact CE2-CG2 3.75Å; Y110-T120 WeakPolarHBondContact OH-CG2 3.33Å; Y110-T120 PolarHBondContact OH-OG1 2.8Å; T120-L170 HydrophobicContact CG2-CD1 3.97Å; T120-F172 HydrophobicContact CG2-CE1 4.44Å; T120-F172 HydrophobicContact CG2-CZ 4.11Å; T120-G189 WeakPolarHBondContact CA-O 3.49Å; T120-I190 HydrophobicContact CG2-CB 3.91Å; T120-I190 HydrophobicContact CG2-CG2 3.35Å
121	Y	95.3	Very high	89.8	Confident	22 Å²	22	61.3 Å²	61.3	9%	0.086	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.9	173.7	59.1	-92.3	0	0	0	109.1	Y123 L187 S188 G189 V191 E204 S206	Y121-Y123 HydrophobicContact CD2-CD1 4.49Å; Y121-Y123 HydrophobicContact CD2-CE1 4.27Å; Y121-L187 HydrophobicContact CD2-CB 4.18Å; Y121-L187 HydrophobicContact CE2-CB 4.16Å; Y121-S188 CarbonylContact O-C 3.59Å; Y121-S188 VanDerWaalsContact O-CA 3.25Å; Y121-S188 WeakPolarHBondContact O-CA 3.39Å; Y121-G189 VanDerWaalsContact CZ-CA 3.47Å; Y121-G189 PolarHBondContact N-O 2.89Å; Y121-G189 PolarHBondContact O-N 3.32Å; Y121-V191 HydrophobicContact CD1-CG2 3.99Å; Y121-V191 HydrophobicContact CE1-CG2 3.56Å; Y121-E204 VanDerWaalsContact CE1-OE1 3.29Å; Y121-E204 WeakPolarHBondContact CE1-OE1 3.36Å; Y121-E204 VanDerWaalsContact CZ-OE1 3.26Å; Y121-E204 PolarHBondContact OH-OE1 2.77Å; Y121-S206 PolarHBondContact OH-OG 3.13Å
122	N	94.7	Very high	90.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	81.2	179.7	-168.1	13.5	0	0	0	109.3	M160 T161 S162 Y174 L187 S188	N122-M160 WeakPolarHBondContact OD1-CE 3.28Å; N122-T161 PolarHBondContact ND2-O 2.95Å; N122-S162 WeakPolarHBondContact CB-OG 3.38Å; N122-S162 PolarHBondContact ND2-OG 3.45Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; N122-L187 WeakPolarHBondContact CA-O 3.47Å; N122-S188 PolarHBondContact OD1-OG 3.37Å
123	Y	91.9	Very high	90.7	Very high	37 Å²	37	58.9 Å²	58.9	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	168	-168.7	75.6	-80.2	0	0	0	114.5	H105 Y121 E125 L187	H105-Y123 WeakPolarHBondContact O-CD1 3.41Å; Y121-Y123 HydrophobicContact CD2-CD1 4.49Å; Y121-Y123 HydrophobicContact CD2-CE1 4.27Å; Y123-E125 HydrophobicContact CD2-CG 4.36Å; Y123-E125 HydrophobicContact CE2-CG 3.63Å; Y123-L187 HydrophobicContact CD1-CB 4.28Å; Y123-L187 HydrophobicContact CE1-CB 3.84Å; Y123-L187 HydrophobicContact CE1-CD1 4.18Å; Y123-L187 HydrophobicContact CE2-CD1 4.29Å; Y123-L187 PolarHBondContact N-O 3.25Å; Y123-L187 PolarHBondContact O-N 3.47Å; Y123-L187 WeakPolarHBondContact OH-CD1 3.49Å
124	I	90.6	Very high	91.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.5	175.2	-54.1	-176.9	0	0	0	108.2	Y127 F147 I149 A158 M160 I184 K185 L186	I124-Y127 VanDerWaalsContact O-CD1 3.23Å; I124-Y127 WeakPolarHBondContact O-CD1 3.25Å; I124-F147 HydrophobicContact CB-CD1 4.37Å; I124-F147 HydrophobicContact CB-CD2 4.45Å; I124-F147 HydrophobicContact CB-CE1 4.48Å; I124-F147 HydrophobicContact CB-CG 4.35Å; I124-F147 HydrophobicContact CD1-CB 4.28Å; I124-F147 HydrophobicContact CD1-CD2 3.75Å; I124-F147 HydrophobicContact CD1-CE2 4.31Å; I124-F147 HydrophobicContact CD1-CG 4.1Å; I124-F147 HydrophobicContact CG1-CD2 3.97Å; I124-F147 HydrophobicContact CG1-CE2 4.06Å; I124-F147 HydrophobicContact CG1-CG 4.32Å; I124-F147 HydrophobicContact CG1-CZ 4.49Å; I124-I149 HydrophobicContact CG2-CG2 4.16Å; I124-A158 HydrophobicContact CD1-CB 3.44Å; I124-A158 VanDerWaalsContact CD1-CB 3.44Å; I124-M160 HydrophobicContact CD1-SD 4.06Å; I124-M160 HydrophobicContact CG1-SD 3.51Å; I124-M160 VanDerWaalsContact CG1-SD 3.51Å; I124-I184 HydrophobicContact CG2-CG2 3.54Å; I124-K185 WeakPolarHBondContact CA-O 3.5Å; I124-L186 HydrophobicContact CD1-CD2 3.86Å; I124-L186 HydrophobicContact CD1-CG 4.42Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG1-CG 4.09Å
125	E	88.4	Confident	92.5	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.308	21%	0.206	S	C	.	.	S	Bend	trans	-80	160	168.5	-67.7	-171.4	170.8	0	0	111.5	Y123 Y127 K185	Y123-E125 HydrophobicContact CD2-CG 4.36Å; Y123-E125 HydrophobicContact CE2-CG 3.63Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.39Å; E125-K185 HydrophobicContact CB-CB 4.17Å; E125-K185 HydrophobicContact CG-CB 4.3Å; E125-K185 PolarHBondContact N-O 3.08Å; E125-K185 VanDerWaalsContact OE2-CD 3.31Å; E125-K185 WeakPolarHBondContact OE2-CD 3.13Å
126	N	84.6	Confident	92.9	Very high	129 Å²	129	44.9 Å²	44.9	69%	0.69	20%	0.201	S	C	*	.	S	Bend	trans	61	29.8	173.5	-53.9	-33.6	0	0	0	116	E183	N126-E183 PolarHBondContact ND2-O 3.46Å
127	Y	88.8	Confident	93.1	Very high	85 Å²	85	43.3 Å²	43.3	33%	0.333	20%	0.198	S	C	.	.			trans	-76.5	150.5	172.4	64.5	-88.6	0	0	0	112.6	I124 E125 S130 F147	I124-Y127 VanDerWaalsContact O-CD1 3.23Å; I124-Y127 WeakPolarHBondContact O-CD1 3.25Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.39Å; Y127-S130 VanDerWaalsContact CE2-OG 3.28Å; Y127-S130 WeakPolarHBondContact CE2-OG 3.13Å; Y127-F147 AromaticContact CD1-CD1 3.91Å; Y127-F147 HydrophobicContact CD1-CD1 3.91Å; Y127-F147 HydrophobicContact CD1-CE1 4.09Å; Y127-F147 HydrophobicContact CD2-CD1 4.34Å; Y127-F147 HydrophobicContact CE1-CD1 4.48Å; Y127-F147 HydrophobicContact CE1-CE1 4.3Å; Y127-F147 AromaticContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CE1 4.43Å
128	K	90.2	Very high	93.1	Very high	113 Å²	113	49.5 Å²	49.5	49%	0.491	22%	0.224	S	C	.	.	S	Bend	trans	-81	-48.5	175.5	-77	-177.9	170.6	170.8	0	112	S148 N150	K128-S148 PolarHBondContact N-O 3.18Å; K128-N150 PolarHBondContact NZ-ND2 3.48Å
129	K	91.6	Very high	93	Very high	144 Å²	144	56.2 Å²	56.2	63%	0.626	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.8	-178.8	-63.4	176.2	-176	167.8	0	109.2	S148	K129-S148 PolarHBondContact N-O 3.3Å; K129-S148 PolarHBondContact O-N 3.18Å
130	S	91.9	Very high	93	Very high	25 Å²	25	55.9 Å²	55.9	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.9	173.6	60.4	0	0	0	0	110.8	Y127 T146	Y127-S130 VanDerWaalsContact CE2-OG 3.28Å; Y127-S130 WeakPolarHBondContact CE2-OG 3.13Å; S130-T146 CarbonylContact C-O 3.47Å; S130-T146 VanDerWaalsContact CA-O 3.31Å; S130-T146 WeakPolarHBondContact CA-O 3.46Å
131	E	92.8	Very high	93	Very high	57 Å²	57	55.8 Å²	55.8	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.7	167.2	179.2	170.4	-144.2	0	0	109	M76 R133 W145 T146	M76-E131 HydrophobicContact CE-CG 4.37Å; E131-R133 HydrophobicContact CG-CG 4.4Å; E131-R133 IonicContact OE1-CZ 3.05Å; E131-R133 IonicContact OE1-NE 2.93Å; E131-R133 PolarHBondContact OE1-NE 2.8Å; E131-R133 IonicContact OE1-NH1 3.2Å; E131-R133 PolarHBondContact OE1-NH1 2.92Å; E131-R133 IonicContact OE1-NH2 3.7Å; E131-R133 PolarHBondContact OE1-NH2 2.9Å; E131-R133 IonicContact OE2-CZ 3.3Å; E131-R133 IonicContact OE2-NH1 2.64Å; E131-R133 PolarHBondContact OE2-NH1 2.8Å; E131-R133 IonicContact OE2-NH2 3.54Å; E131-R133 PolarHBondContact OE2-NH2 2.84Å; E131-R133 VanDerWaalsContact OE2-NH2 3.07Å; E131-W145 WeakPolarHBondContact O-CA 3.11Å; E131-T146 PolarHBondContact N-O 2.97Å; E131-T146 PolarHBondContact O-N 2.86Å
132	Y	93.4	Very high	93.1	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125	-177.3	-171.6	-158.5	0	0	0	110.8	M76 I77 F101 H102 K103 A143 K144 W145	M76-Y132 WeakPolarHBondContact CA-O 3.43Å; I77-Y132 HydrophobicContact CB-CD1 3.8Å; I77-Y132 HydrophobicContact CB-CG 4.27Å; I77-Y132 HydrophobicContact CD1-CD1 3.19Å; I77-Y132 HydrophobicContact CD1-CD2 4.26Å; I77-Y132 HydrophobicContact CD1-CE1 3.16Å; I77-Y132 HydrophobicContact CD1-CE2 4.16Å; I77-Y132 HydrophobicContact CD1-CG 3.81Å; I77-Y132 HydrophobicContact CG1-CD1 3.88Å; I77-Y132 HydrophobicContact CG1-CE1 4.32Å; I77-Y132 HydrophobicContact CG1-CG 4.25Å; I77-Y132 HydrophobicContact CG2-CD1 4.25Å; I77-Y132 PolarHBondContact N-O 3.49Å; F101-Y132 HydrophobicContact CB-CE1 4.07Å; F101-Y132 WeakPolarHBondContact CD1-OH 3.25Å; H102-Y132 VanDerWaalsContact O-CE1 3.3Å; H102-Y132 WeakPolarHBondContact O-CE1 3.13Å; K103-Y132 HydrophobicContact CB-CD1 4.38Å; Y132-A143 HydrophobicContact CE2-CB 3.29Å; Y132-A143 WeakPolarHBondContact OH-CB 3.29Å; Y132-K144 WeakPolarHBondContact CD2-O 3.42Å; Y132-W145 AromaticContact CD1-CE2 3.84Å; Y132-W145 HydrophobicContact CD1-CH2 4.21Å; Y132-W145 AromaticContact CD1-CZ2 3.56Å; Y132-W145 HydrophobicContact CD1-CZ2 3.56Å; Y132-W145 AromaticContact CD2-CD1 3.44Å; Y132-W145 VanDerWaalsContact CD2-CD1 3.44Å; Y132-W145 AromaticContact CD2-CD2 3.9Å; Y132-W145 HydrophobicContact CD2-CD2 3.9Å; Y132-W145 AromaticContact CD2-CE2 3.52Å; Y132-W145 AromaticContact CD2-CG 3.78Å; Y132-W145 HydrophobicContact CD2-CG 3.78Å; Y132-W145 HydrophobicContact CD2-CZ2 4.13Å; Y132-W145 AromaticContact CD2-NE1 3.32Å; Y132-W145 VanDerWaalsContact CD2-NE1 3.32Å; Y132-W145 AromaticContact CE1-CE2 3.62Å; Y132-W145 HydrophobicContact CE1-CH2 4.24Å; Y132-W145 AromaticContact CE1-CZ2 3.27Å; Y132-W145 HydrophobicContact CE1-CZ2 3.27Å; Y132-W145 AromaticContact CE1-NE1 3.79Å; Y132-W145 AromaticContact CE2-CD1 3.21Å; Y132-W145 HydrophobicContact CE2-CD2 4.15Å; Y132-W145 AromaticContact CE2-CE2 3.38Å; Y132-W145 HydrophobicContact CE2-CG 4Å; Y132-W145 AromaticContact CE2-CZ2 3.97Å; Y132-W145 HydrophobicContact CE2-CZ2 3.97Å; Y132-W145 AromaticContact CE2-NE1 2.81Å; Y132-W145 HydrophobicContact CG-CD2 4.14Å; Y132-W145 AromaticContact CG-CE2 3.76Å; Y132-W145 HydrophobicContact CG-CG 4.45Å; Y132-W145 AromaticContact CG-CZ2 3.96Å; Y132-W145 HydrophobicContact CG-CZ2 3.96Å; Y132-W145 AromaticContact CZ-CD1 3.92Å; Y132-W145 AromaticContact CZ-CE2 3.36Å; Y132-W145 AromaticContact CZ-CZ2 3.48Å; Y132-W145 VanDerWaalsContact CZ-CZ2 3.48Å; Y132-W145 AromaticContact CZ-NE1 3.02Å; Y132-W145 PolarHBondContact OH-NE1 3.05Å
133	R	95.7	Very high	93.1	Very high	76 Å²	76	54.7 Å²	54.7	29%	0.287	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.7	-179.7	-62.4	-167.6	176.8	102.7	-8.7	112.4	F73 N75 E131 A143 K144	F73-R133 HydrophobicContact CB-CB 3.81Å; F73-R133 WeakPolarHBondContact O-CD 3.22Å; N75-R133 CarbonylContact O-C 3.53Å; N75-R133 VanDerWaalsContact O-CA 3.23Å; N75-R133 WeakPolarHBondContact O-CA 3.45Å; E131-R133 HydrophobicContact CG-CG 4.4Å; E131-R133 IonicContact OE1-CZ 3.05Å; E131-R133 IonicContact OE1-NE 2.93Å; E131-R133 PolarHBondContact OE1-NE 2.8Å; E131-R133 IonicContact OE1-NH1 3.2Å; E131-R133 PolarHBondContact OE1-NH1 2.92Å; E131-R133 IonicContact OE1-NH2 3.7Å; E131-R133 PolarHBondContact OE1-NH2 2.9Å; E131-R133 IonicContact OE2-CZ 3.3Å; E131-R133 IonicContact OE2-NH1 2.64Å; E131-R133 PolarHBondContact OE2-NH1 2.8Å; E131-R133 IonicContact OE2-NH2 3.54Å; E131-R133 PolarHBondContact OE2-NH2 2.84Å; E131-R133 VanDerWaalsContact OE2-NH2 3.07Å; R133-A143 CarbonylContact O-C 3.43Å; R133-A143 WeakPolarHBondContact O-CA 3.22Å; R133-K144 PolarHBondContact N-O 3.1Å; R133-K144 PolarHBondContact O-N 3.04Å
134	V	96.6	Very high	93.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.4	179.8	175.2	0	0	0	0	111.2	K74 N75 I77 Y81 F101 H136 G142	K74-V134 PolarHBondContact N-O 3.45Å; N75-V134 HydrophobicContact CB-CB 4.24Å; N75-V134 PolarHBondContact N-O 3.43Å; N75-V134 PolarHBondContact O-N 3.15Å; I77-V134 HydrophobicContact CD1-CG2 3.16Å; I77-V134 HydrophobicContact CG1-CG2 3.67Å; Y81-V134 HydrophobicContact CD1-CB 4.38Å; Y81-V134 HydrophobicContact CD1-CG1 4Å; Y81-V134 HydrophobicContact CD1-CG2 4.19Å; Y81-V134 HydrophobicContact CE1-CG1 3.94Å; Y81-V134 HydrophobicContact CG-CG2 4.19Å; F101-V134 HydrophobicContact CB-CG2 4.14Å; F101-V134 HydrophobicContact CD2-CG1 4.21Å; F101-V134 HydrophobicContact CD2-CG2 4.01Å; F101-V134 HydrophobicContact CE2-CG1 4.05Å; F101-V134 HydrophobicContact CG-CG2 3.99Å; V134-H136 HydrophobicContact CG1-CB 4.15Å; V134-G142 CarbonylContact C-O 3.51Å; V134-G142 WeakPolarHBondContact CA-O 3.29Å
135	L	96.6	Very high	93.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.7	162	-177.8	159.6	0	0	0	107.2	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD1 3.59Å; R72-L135 HydrophobicContact CB-CD1 3.62Å; R72-L135 HydrophobicContact CB-CG 4.43Å; F73-L135 HydrophobicContact CD1-CB 3.63Å; F73-L135 HydrophobicContact CE1-CB 3.74Å; F73-L135 HydrophobicContact CE1-CD1 4.47Å; F73-L135 HydrophobicContact CE2-CD1 4.37Å; F73-L135 HydrophobicContact CG-CB 4.17Å; F73-L135 HydrophobicContact CZ-CB 4.36Å; F73-L135 HydrophobicContact CZ-CD1 4.28Å; L135-E137 HydrophobicContact CD2-CB 4.16Å; L135-E137 HydrophobicContact CD2-CG 3.95Å; L135-E137 HydrophobicContact CG-CG 4.28Å; L135-L140 HydrophobicContact CD1-CD2 4.13Å; L135-L140 HydrophobicContact CD2-CB 3.86Å; L135-L140 HydrophobicContact CD2-CD2 4.02Å; L135-L140 HydrophobicContact CD2-CG 3.82Å; L135-L140 WeakPolarHBondContact CD2-O 3.2Å; L135-L141 CarbonylContact O-C 3.56Å; L135-L141 WeakPolarHBondContact O-CA 3.42Å; L135-G142 PolarHBondContact N-O 2.93Å; L135-G142 PolarHBondContact O-N 2.85Å
136	H	95.9	Very high	93.7	Very high	55 Å²	55	52.1 Å²	52.1	26%	0.255	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	88.2	178.1	-174.7	174.9	0	0	0	109.2	Y81 R84 V134 L141	Y81-H136 HydrophobicContact CE1-CB 4.44Å; Y81-H136 AromaticContact CE1-ND1 3.76Å; R84-H136 PolarHBondContact O-NE2 3.2Å; V134-H136 HydrophobicContact CG1-CB 4.15Å; H136-L141 HydrophobicContact CB-CD2 4.04Å; H136-L141 WeakPolarHBondContact CD2-CD2 3.33Å
137	E	95.1	Very high	94.1	Very high	66 Å²	66	46 Å²	46	31%	0.308	21%	0.208	S	C	.	.			trans	-118.3	172.9	-178.8	-63.5	-175	-155.7	0	0	111.2	R72 L135 E139 L140	R72-E137 IonicContact CZ-OE1 3.75Å; R72-E137 IonicContact CZ-OE2 3.77Å; R72-E137 IonicContact NE-OE1 3.5Å; R72-E137 PolarHBondContact NE-OE1 2.87Å; R72-E137 IonicContact NE-OE2 2.77Å; R72-E137 IonicContact NH2-OE1 2.66Å; R72-E137 PolarHBondContact NH2-OE1 2.85Å; R72-E137 IonicContact NH2-OE2 3.39Å; R72-E137 PolarHBondContact NH2-OE2 2.73Å; L135-E137 HydrophobicContact CD2-CB 4.16Å; L135-E137 HydrophobicContact CD2-CG 3.95Å; L135-E137 HydrophobicContact CG-CG 4.28Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.32Å; E137-L140 CarbonylContact C-O 3.49Å; E137-L140 WeakPolarHBondContact CA-O 3.11Å; E137-L140 PolarHBondContact N-O 3.27Å
138	K	93.3	Very high	94.4	Very high	139 Å²	139	42.5 Å²	42.5	60%	0.604	20%	0.196	S	C	*	.	S	Bend	trans	-63.9	-35.1	-176	-175.9	-177.8	175.9	-164.7	0	112.9	Q86 F87	Q86-K138 HydrophobicContact CB-CG 4.31Å; F87-K138 VanDerWaalsContact CD1-O 3.25Å; F87-K138 WeakPolarHBondContact CD1-O 3.35Å
139	E	93.5	Very high	94.4	Very high	141 Å²	141	37.2 Å²	37.2	66%	0.659	17%	0.173	S	C	*	.	S	Bend	trans	-119.8	10.2	-173.5	-64	-178.4	172.5	0	0	112.6	E137 P166	E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 3.32Å; E139-P166 HydrophobicContact CB-CG 4.27Å; E139-P166 WeakPolarHBondContact O-CD 3.32Å; E139-P166 WeakPolarHBondContact O-CG 3.36Å
140	L	96.2	Very high	94.2	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	16%	0.159	C	C	.	.			trans	-159.5	134.3	179.5	-168.5	64.1	0	0	0	110.1	V68 L135 E137 L163	V68-L140 HydrophobicContact CG2-CD2 3.77Å; L135-L140 HydrophobicContact CD1-CD2 4.13Å; L135-L140 HydrophobicContact CD2-CB 3.86Å; L135-L140 HydrophobicContact CD2-CD2 4.02Å; L135-L140 HydrophobicContact CD2-CG 3.82Å; L135-L140 WeakPolarHBondContact CD2-O 3.2Å; E137-L140 CarbonylContact C-O 3.49Å; E137-L140 WeakPolarHBondContact CA-O 3.11Å; E137-L140 PolarHBondContact N-O 3.27Å; L140-L163 HydrophobicContact CD1-CB 4.39Å; L140-L163 HydrophobicContact CD2-CD2 4.49Å
141	L	96.7	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	152	164.6	-60.8	177.4	0	0	0	109	P85 F87 I99 L135 H136 L163 I164	P85-L141 HydrophobicContact CB-CD1 3.97Å; P85-L141 HydrophobicContact CG-CD1 3.73Å; F87-L141 HydrophobicContact CE1-CD1 4.5Å; F87-L141 HydrophobicContact CE1-CG 4.06Å; F87-L141 HydrophobicContact CZ-CD1 4.12Å; F87-L141 HydrophobicContact CZ-CG 3.91Å; I99-L141 HydrophobicContact CD1-CD1 3.77Å; L135-L141 CarbonylContact O-C 3.56Å; L135-L141 WeakPolarHBondContact O-CA 3.42Å; H136-L141 HydrophobicContact CB-CD2 4.04Å; H136-L141 WeakPolarHBondContact CD2-CD2 3.33Å; L141-L163 CarbonylContact O-C 3.56Å; L141-L163 WeakPolarHBondContact O-CA 3.36Å; L141-I164 HydrophobicContact CB-CB 4.12Å; L141-I164 HydrophobicContact CB-CD1 4.36Å; L141-I164 PolarHBondContact N-O 2.74Å; L141-I164 VanDerWaalsContact N-O 3.1Å; L141-I164 PolarHBondContact O-N 2.83Å
142	G	96.2	Very high	93.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	169.1	176.4	0	0	0	0	0	113.8	V134 L135 S162	V134-G142 CarbonylContact C-O 3.51Å; V134-G142 WeakPolarHBondContact CA-O 3.29Å; L135-G142 PolarHBondContact N-O 2.93Å; L135-G142 PolarHBondContact O-N 2.85Å; G142-S162 CarbonylContact C-O 3.58Å; G142-S162 WeakPolarHBondContact CA-O 3.46Å
143	A	95.6	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.7	-174.5	0	0	0	0	0	108.7	F101 Y132 R133 T161 S162	F101-A143 HydrophobicContact CD1-CB 3.54Å; F101-A143 HydrophobicContact CE1-CB 3.64Å; Y132-A143 HydrophobicContact CE2-CB 3.29Å; Y132-A143 WeakPolarHBondContact OH-CB 3.29Å; R133-A143 CarbonylContact O-C 3.43Å; R133-A143 WeakPolarHBondContact O-CA 3.22Å; A143-T161 CarbonylContact O-C 3.58Å; A143-T161 WeakPolarHBondContact O-CA 3.17Å; A143-S162 PolarHBondContact N-O 3.29Å; A143-S162 PolarHBondContact O-N 2.03Å
144	K	95.4	Very high	92.8	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.5	179.7	-176.3	-177.8	76.3	179.5	0	109.9	S70 F73 Y132 R133 I159	S70-K144 PolarHBondContact O-NZ 2.99Å; S70-K144 PolarHBondContact OG-NZ 3.18Å; F73-K144 HydrophobicContact CB-CB 4.27Å; F73-K144 HydrophobicContact CD1-CB 3.45Å; F73-K144 VanDerWaalsContact CD1-CB 3.45Å; F73-K144 HydrophobicContact CD2-CB 4.04Å; F73-K144 HydrophobicContact CD2-CD 3.94Å; F73-K144 HydrophobicContact CE1-CB 3.68Å; F73-K144 HydrophobicContact CE2-CB 4.23Å; F73-K144 HydrophobicContact CE2-CD 4.27Å; F73-K144 HydrophobicContact CG-CB 3.65Å; F73-K144 HydrophobicContact CG-CD 4.24Å; F73-K144 HydrophobicContact CZ-CB 4.06Å; Y132-K144 WeakPolarHBondContact CD2-O 3.42Å; R133-K144 PolarHBondContact N-O 3.1Å; R133-K144 PolarHBondContact O-N 3.04Å; K144-I159 HydrophobicContact CD-CG2 4.23Å; K144-I159 HydrophobicContact CG-CG2 3.95Å
145	W	93.6	Very high	92.5	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133	177.4	-65.3	65.2	0	0	0	109.6	H102 K103 E131 Y132 F147 I159 M160	H102-W145 WeakPolarHBondContact O-CH2 3.48Å; H102-W145 WeakPolarHBondContact O-CZ2 3.31Å; K103-W145 VanDerWaalsContact C-CH2 3.43Å; K103-W145 WeakPolarHBondContact O-CH2 3.39Å; K103-W145 VanDerWaalsContact O-CZ3 3.3Å; K103-W145 WeakPolarHBondContact O-CZ3 3.49Å; E131-W145 WeakPolarHBondContact O-CA 3.11Å; Y132-W145 AromaticContact CD1-CE2 3.84Å; Y132-W145 HydrophobicContact CD1-CH2 4.21Å; Y132-W145 AromaticContact CD1-CZ2 3.56Å; Y132-W145 HydrophobicContact CD1-CZ2 3.56Å; Y132-W145 AromaticContact CD2-CD1 3.44Å; Y132-W145 VanDerWaalsContact CD2-CD1 3.44Å; Y132-W145 AromaticContact CD2-CD2 3.9Å; Y132-W145 HydrophobicContact CD2-CD2 3.9Å; Y132-W145 AromaticContact CD2-CE2 3.52Å; Y132-W145 AromaticContact CD2-CG 3.78Å; Y132-W145 HydrophobicContact CD2-CG 3.78Å; Y132-W145 HydrophobicContact CD2-CZ2 4.13Å; Y132-W145 AromaticContact CD2-NE1 3.32Å; Y132-W145 VanDerWaalsContact CD2-NE1 3.32Å; Y132-W145 AromaticContact CE1-CE2 3.62Å; Y132-W145 HydrophobicContact CE1-CH2 4.24Å; Y132-W145 AromaticContact CE1-CZ2 3.27Å; Y132-W145 HydrophobicContact CE1-CZ2 3.27Å; Y132-W145 AromaticContact CE1-NE1 3.79Å; Y132-W145 AromaticContact CE2-CD1 3.21Å; Y132-W145 HydrophobicContact CE2-CD2 4.15Å; Y132-W145 AromaticContact CE2-CE2 3.38Å; Y132-W145 HydrophobicContact CE2-CG 4Å; Y132-W145 AromaticContact CE2-CZ2 3.97Å; Y132-W145 HydrophobicContact CE2-CZ2 3.97Å; Y132-W145 AromaticContact CE2-NE1 2.81Å; Y132-W145 HydrophobicContact CG-CD2 4.14Å; Y132-W145 AromaticContact CG-CE2 3.76Å; Y132-W145 HydrophobicContact CG-CG 4.45Å; Y132-W145 AromaticContact CG-CZ2 3.96Å; Y132-W145 HydrophobicContact CG-CZ2 3.96Å; Y132-W145 AromaticContact CZ-CD1 3.92Å; Y132-W145 AromaticContact CZ-CE2 3.36Å; Y132-W145 AromaticContact CZ-CZ2 3.48Å; Y132-W145 VanDerWaalsContact CZ-CZ2 3.48Å; Y132-W145 AromaticContact CZ-NE1 3.02Å; Y132-W145 PolarHBondContact OH-NE1 3.05Å; W145-F147 HydrophobicContact CB-CD2 4.11Å; W145-F147 HydrophobicContact CB-CE2 3.41Å; W145-F147 VanDerWaalsContact CB-CE2 3.41Å; W145-F147 HydrophobicContact CB-CZ 3.72Å; W145-F147 HydrophobicContact CD2-CE1 4.45Å; W145-F147 HydrophobicContact CD2-CE2 4.42Å; W145-F147 AromaticContact CD2-CZ 3.81Å; W145-F147 HydrophobicContact CD2-CZ 3.81Å; W145-F147 AromaticContact CE3-CE1 3.49Å; W145-F147 HydrophobicContact CE3-CE1 3.49Å; W145-F147 VanDerWaalsContact CE3-CE1 3.49Å; W145-F147 HydrophobicContact CE3-CE2 4.2Å; W145-F147 AromaticContact CE3-CZ 3.26Å; W145-F147 HydrophobicContact CE3-CZ 3.26Å; W145-F147 HydrophobicContact CG-CE2 4.15Å; W145-F147 HydrophobicContact CG-CZ 4.02Å; W145-F147 HydrophobicContact CZ3-CE1 4.1Å; W145-F147 HydrophobicContact CZ3-CZ 4.13Å; W145-I159 CarbonylContact O-C 3.52Å; W145-I159 VanDerWaalsContact O-CA 3.24Å; W145-I159 WeakPolarHBondContact O-CA 3.16Å; W145-M160 PolarHBondContact N-O 2.83Å; W145-M160 PolarHBondContact O-N 2.81Å
146	T	94.5	Very high	92.3	Very high	35 Å²	35	48.2 Å²	48.2	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.4	169.1	-56.8	0	0	0	0	107.6	S130 E131 I159	S130-T146 CarbonylContact C-O 3.47Å; S130-T146 VanDerWaalsContact CA-O 3.31Å; S130-T146 WeakPolarHBondContact CA-O 3.46Å; E131-T146 PolarHBondContact N-O 2.97Å; E131-T146 PolarHBondContact O-N 2.86Å; T146-I159 HydrophobicContact CG2-CG1 4.23Å
147	F	93.4	Very high	92.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137	177.4	-58.2	-86.6	0	0	0	109.6	I124 Y127 W145 I149 T157 A158 M160	I124-F147 HydrophobicContact CB-CD1 4.37Å; I124-F147 HydrophobicContact CB-CD2 4.45Å; I124-F147 HydrophobicContact CB-CE1 4.48Å; I124-F147 HydrophobicContact CB-CG 4.35Å; I124-F147 HydrophobicContact CD1-CB 4.28Å; I124-F147 HydrophobicContact CD1-CD2 3.75Å; I124-F147 HydrophobicContact CD1-CE2 4.31Å; I124-F147 HydrophobicContact CD1-CG 4.1Å; I124-F147 HydrophobicContact CG1-CD2 3.97Å; I124-F147 HydrophobicContact CG1-CE2 4.06Å; I124-F147 HydrophobicContact CG1-CG 4.32Å; I124-F147 HydrophobicContact CG1-CZ 4.49Å; Y127-F147 AromaticContact CD1-CD1 3.91Å; Y127-F147 HydrophobicContact CD1-CD1 3.91Å; Y127-F147 HydrophobicContact CD1-CE1 4.09Å; Y127-F147 HydrophobicContact CD2-CD1 4.34Å; Y127-F147 HydrophobicContact CE1-CD1 4.48Å; Y127-F147 HydrophobicContact CE1-CE1 4.3Å; Y127-F147 AromaticContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CE1 4.43Å; W145-F147 HydrophobicContact CB-CD2 4.11Å; W145-F147 HydrophobicContact CB-CE2 3.41Å; W145-F147 VanDerWaalsContact CB-CE2 3.41Å; W145-F147 HydrophobicContact CB-CZ 3.72Å; W145-F147 HydrophobicContact CD2-CE1 4.45Å; W145-F147 HydrophobicContact CD2-CE2 4.42Å; W145-F147 AromaticContact CD2-CZ 3.81Å; W145-F147 HydrophobicContact CD2-CZ 3.81Å; W145-F147 AromaticContact CE3-CE1 3.49Å; W145-F147 HydrophobicContact CE3-CE1 3.49Å; W145-F147 VanDerWaalsContact CE3-CE1 3.49Å; W145-F147 HydrophobicContact CE3-CE2 4.2Å; W145-F147 AromaticContact CE3-CZ 3.26Å; W145-F147 HydrophobicContact CE3-CZ 3.26Å; W145-F147 HydrophobicContact CG-CE2 4.15Å; W145-F147 HydrophobicContact CG-CZ 4.02Å; W145-F147 HydrophobicContact CZ3-CE1 4.1Å; W145-F147 HydrophobicContact CZ3-CZ 4.13Å; F147-I149 HydrophobicContact CB-CG2 4.07Å; F147-T157 CarbonylContact O-C 3.51Å; F147-T157 WeakPolarHBondContact O-CA 3.4Å; F147-A158 HydrophobicContact CB-CB 4.49Å; F147-A158 PolarHBondContact N-O 2.92Å; F147-A158 PolarHBondContact O-N 3.37Å; F147-M160 HydrophobicContact CD2-CG 4.4Å; F147-M160 HydrophobicContact CD2-SD 4.43Å; F147-M160 HydrophobicContact CE2-CB 4.22Å; F147-M160 HydrophobicContact CE2-CG 3.96Å; F147-M160 HydrophobicContact CE2-SD 3.75Å; F147-M160 HydrophobicContact CZ-SD 4.48Å
148	S	93.3	Very high	92.1	Very high	11 Å²	11	46 Å²	46	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	160.4	143.1	0	0	0	0	107.8	K128 K129 E155	K128-S148 PolarHBondContact N-O 3.18Å; K129-S148 PolarHBondContact N-O 3.3Å; K129-S148 PolarHBondContact O-N 3.18Å; S148-E155 VanDerWaalsContact CB-OE1 3.32Å; S148-E155 WeakPolarHBondContact CB-OE1 3.39Å; S148-E155 VanDerWaalsContact OG-CG 3.29Å; S148-E155 WeakPolarHBondContact OG-CG 3.47Å; S148-E155 PolarHBondContact OG-OE1 3.43Å
149	I	91.3	Very high	92.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150	-174.8	57.4	-174.8	0	0	0	109.3	I124 F147 V151 E155 V156 A158 P178 I184	I124-I149 HydrophobicContact CG2-CG2 4.16Å; F147-I149 HydrophobicContact CB-CG2 4.07Å; I149-V151 HydrophobicContact CG1-CG2 4.45Å; I149-E155 WeakPolarHBondContact O-CA 3.41Å; I149-V156 HydrophobicContact CD1-CG2 3.93Å; I149-V156 HydrophobicContact CG1-CG2 3.48Å; I149-V156 VanDerWaalsContact CG1-CG2 3.48Å; I149-V156 WeakPolarHBondContact CG1-O 3.28Å; I149-V156 PolarHBondContact N-O 2.79Å; I149-V156 PolarHBondContact O-N 3.34Å; I149-A158 HydrophobicContact CD1-CB 3.8Å; I149-P178 HydrophobicContact CD1-CG 3.6Å; I149-I184 HydrophobicContact CD1-CD1 4.04Å
150	N	88.1	Confident	92.3	Very high	64 Å²	64	33.6 Å²	33.6	34%	0.342	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.1	175.4	-168.5	-20.6	0	0	0	109	K128 G153 S154	K128-N150 PolarHBondContact NZ-ND2 3.48Å; N150-G153 VanDerWaalsContact OD1-C 3.29Å; N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 3.44Å; N150-S154 WeakPolarHBondContact CA-O 3.41Å; N150-S154 PolarHBondContact OD1-N 3.26Å
151	V	85.2	Confident	92.3	Very high	23 Å²	23	33 Å²	33	14%	0.139	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.2	172.1	178.2	0	0	0	0	107.4	I149 G153 S154 V156 P178 I184	I149-V151 HydrophobicContact CG1-CG2 4.45Å; V151-G153 PolarHBondContact O-N 3.25Å; V151-G153 VanDerWaalsContact O-N 3.12Å; V151-S154 PolarHBondContact N-O 3.25Å; V151-S154 PolarHBondContact O-N 3.4Å; V151-V156 HydrophobicContact CB-CG2 4.17Å; V151-V156 HydrophobicContact CG2-CG2 3.53Å; V151-P178 HydrophobicContact CG2-CB 4.02Å; V151-P178 HydrophobicContact CG2-CG 4.14Å; V151-I184 HydrophobicContact CG2-CD1 3.56Å
152	N	85.6	Confident	92.3	Very high	146 Å²	146	33.3 Å²	33.3	78%	0.781	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.6	176.5	-58.4	-22.4	0	0	0	113.5	S154	N152-S154 VanDerWaalsContact C-N 3.31Å; N152-S154 PolarHBondContact O-N 3.5Å
153	G	85.3	Confident	92.4	Very high	63 Å²	63	33.4 Å²	33.4	65%	0.649	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-9.8	-179.3	0	0	0	0	0	115.1	N150 V151	N150-G153 VanDerWaalsContact OD1-C 3.29Å; N150-G153 WeakPolarHBondContact OD1-CA 3.49Å; N150-G153 PolarHBondContact OD1-N 3.44Å; V151-G153 PolarHBondContact O-N 3.25Å; V151-G153 VanDerWaalsContact O-N 3.12Å
154	S	88.3	Confident	92.5	Very high	75 Å²	75	33.6 Å²	33.6	52%	0.524	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.3	178.3	-61.9	0	0	0	0	111.5	N150 V151 N152	N150-S154 WeakPolarHBondContact CA-O 3.41Å; N150-S154 PolarHBondContact OD1-N 3.26Å; V151-S154 PolarHBondContact N-O 3.25Å; V151-S154 PolarHBondContact O-N 3.4Å; N152-S154 VanDerWaalsContact C-N 3.31Å; N152-S154 PolarHBondContact O-N 3.5Å
155	E	89.4	Confident	92.5	Very high	115 Å²	115	34.9 Å²	34.9	54%	0.537	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.3	173.7	-171.5	171.5	172	0	0	109.7	S148 I149	S148-E155 VanDerWaalsContact CB-OE1 3.32Å; S148-E155 WeakPolarHBondContact CB-OE1 3.39Å; S148-E155 VanDerWaalsContact OG-CG 3.29Å; S148-E155 WeakPolarHBondContact OG-CG 3.47Å; S148-E155 PolarHBondContact OG-OE1 3.43Å; I149-E155 WeakPolarHBondContact O-CA 3.41Å
156	V	91.8	Very high	92.4	Very high	49 Å²	49	37.6 Å²	37.6	30%	0.297	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.7	176.2	-56.2	0	0	0	0	110.3	I149 V151 P178	I149-V156 HydrophobicContact CD1-CG2 3.93Å; I149-V156 HydrophobicContact CG1-CG2 3.48Å; I149-V156 VanDerWaalsContact CG1-CG2 3.48Å; I149-V156 WeakPolarHBondContact CG1-O 3.28Å; I149-V156 PolarHBondContact N-O 2.79Å; I149-V156 PolarHBondContact O-N 3.34Å; V151-V156 HydrophobicContact CB-CG2 4.17Å; V151-V156 HydrophobicContact CG2-CG2 3.53Å; V156-P178 HydrophobicContact CG2-CB 4.46Å
157	T	93.2	Very high	92.1	Very high	74 Å²	74	40.5 Å²	40.5	45%	0.454	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.4	178.4	57.2	0	0	0	0	111.1	F147 N176	F147-T157 CarbonylContact O-C 3.51Å; F147-T157 WeakPolarHBondContact O-CA 3.4Å; T157-N176 WeakPolarHBondContact O-CB 3.41Å
158	A	94.2	Very high	92	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.8	170	0	0	0	0	0	110.2	I124 F147 I149 I177	I124-A158 HydrophobicContact CD1-CB 3.44Å; I124-A158 VanDerWaalsContact CD1-CB 3.44Å; F147-A158 HydrophobicContact CB-CB 4.49Å; F147-A158 PolarHBondContact N-O 2.92Å; F147-A158 PolarHBondContact O-N 3.37Å; I149-A158 HydrophobicContact CD1-CB 3.8Å; A158-I177 HydrophobicContact CB-CD1 3.95Å
159	I	95.3	Very high	92	Very high	20 Å²	20	42.2 Å²	42.2	10%	0.103	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.3	-177.1	-58	170	0	0	0	109.1	K144 W145 T146 D175	K144-I159 HydrophobicContact CD-CG2 4.23Å; K144-I159 HydrophobicContact CG-CG2 3.95Å; W145-I159 CarbonylContact O-C 3.52Å; W145-I159 VanDerWaalsContact O-CA 3.24Å; W145-I159 WeakPolarHBondContact O-CA 3.16Å; T146-I159 HydrophobicContact CG2-CG1 4.23Å; I159-D175 WeakPolarHBondContact CA-O 3.32Å; I159-D175 HydrophobicContact CB-CB 4.08Å; I159-D175 HydrophobicContact CG2-CB 4.47Å; I159-D175 PolarHBondContact N-O 3.4Å; I159-D175 PolarHBondContact O-N 3.2Å; I159-D175 VanDerWaalsContact O-O 3.11Å
160	M	95.6	Very high	92.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.6	176.3	-55.6	-179.4	97.5	0	0	108.8	N122 I124 W145 F147 Y174 I177 L186 S188 I212	N122-M160 WeakPolarHBondContact OD1-CE 3.28Å; I124-M160 HydrophobicContact CD1-SD 4.06Å; I124-M160 HydrophobicContact CG1-SD 3.51Å; I124-M160 VanDerWaalsContact CG1-SD 3.51Å; W145-M160 PolarHBondContact N-O 2.83Å; W145-M160 PolarHBondContact O-N 2.81Å; F147-M160 HydrophobicContact CD2-CG 4.4Å; F147-M160 HydrophobicContact CD2-SD 4.43Å; F147-M160 HydrophobicContact CE2-CB 4.22Å; F147-M160 HydrophobicContact CE2-CG 3.96Å; F147-M160 HydrophobicContact CE2-SD 3.75Å; F147-M160 HydrophobicContact CZ-SD 4.48Å; M160-Y174 HydrophobicContact CB-CD1 4.47Å; M160-Y174 HydrophobicContact CE-CD1 3.64Å; M160-Y174 HydrophobicContact CE-CE1 3.6Å; M160-Y174 HydrophobicContact CG-CD1 4.2Å; M160-I177 HydrophobicContact CG-CD1 4.25Å; M160-L186 HydrophobicContact CE-CD2 4.29Å; M160-S188 WeakPolarHBondContact CE-OG 3.38Å; M160-I212 HydrophobicContact CE-CG2 3.94Å
161	T	96.8	Very high	92.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.5	-178.3	-55.3	0	0	0	0	109.6	F73 N122 A143 L163 F172 Y173	F73-T161 HydrophobicContact CE1-CG2 4.08Å; F73-T161 HydrophobicContact CE2-CG2 4.3Å; F73-T161 HydrophobicContact CZ-CG2 3.48Å; F73-T161 VanDerWaalsContact CZ-CG2 3.48Å; N122-T161 PolarHBondContact ND2-O 2.95Å; A143-T161 CarbonylContact O-C 3.58Å; A143-T161 WeakPolarHBondContact O-CA 3.17Å; T161-L163 HydrophobicContact CG2-CD2 3.98Å; T161-L163 HydrophobicContact CG2-CG 4.12Å; T161-F172 CarbonylContact O-C 3.46Å; T161-F172 VanDerWaalsContact O-CA 3.22Å; T161-F172 WeakPolarHBondContact O-CA 3.15Å; T161-Y173 PolarHBondContact N-O 3.34Å; T161-Y173 PolarHBondContact O-N 2.87Å
162	S	97.1	Very high	93.4	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.8	170.9	-57.7	0	0	0	0	109.1	N122 G142 A143 S171 F172	N122-S162 WeakPolarHBondContact CB-OG 3.38Å; N122-S162 PolarHBondContact ND2-OG 3.45Å; G142-S162 CarbonylContact C-O 3.58Å; G142-S162 WeakPolarHBondContact CA-O 3.46Å; A143-S162 PolarHBondContact N-O 3.29Å; A143-S162 PolarHBondContact O-N 2.03Å; S162-S171 CarbonylContact C-O 3.57Å; S162-S171 WeakPolarHBondContact CA-O 3.34Å; S162-F172 WeakPolarHBondContact OG-CD1 3.38Å; S162-F172 WeakPolarHBondContact OG-CE1 3.16Å
163	L	97.5	Very high	94	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.3	178.6	-54.1	169.8	0	0	0	110.5	P67 V68 F73 L140 L141 T161 L170 S171	P67-L163 HydrophobicContact CB-CD1 4.13Å; P67-L163 HydrophobicContact CG-CD1 3.79Å; V68-L163 HydrophobicContact CB-CD1 4.49Å; V68-L163 HydrophobicContact CG2-CD1 3.52Å; V68-L163 HydrophobicContact CG2-CD2 3.95Å; V68-L163 HydrophobicContact CG2-CG 4.41Å; F73-L163 HydrophobicContact CE1-CD2 4.37Å; F73-L163 HydrophobicContact CZ-CD2 3.88Å; L140-L163 HydrophobicContact CD1-CB 4.39Å; L140-L163 HydrophobicContact CD2-CD2 4.49Å; L141-L163 CarbonylContact O-C 3.56Å; L141-L163 WeakPolarHBondContact O-CA 3.36Å; T161-L163 HydrophobicContact CG2-CD2 3.98Å; T161-L163 HydrophobicContact CG2-CG 4.12Å; L163-L170 WeakPolarHBondContact O-CA 3.19Å; L163-S171 WeakPolarHBondContact CB-OG 3.39Å; L163-S171 PolarHBondContact N-O 3.26Å; L163-S171 PolarHBondContact O-N 3.27Å
164	I	97.2	Very high	94.6	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	113.6	-176.4	-56	168.6	0	0	0	106.9	F87 I89 I99 F101 T108 Y110 L141 L170	F87-I164 HydrophobicContact CE2-CG2 4.47Å; I89-I164 HydrophobicContact CD1-CG2 3.09Å; I99-I164 HydrophobicContact CD1-CD1 3.91Å; I99-I164 HydrophobicContact CG2-CD1 4.35Å; F101-I164 HydrophobicContact CE1-CD1 4.37Å; F101-I164 HydrophobicContact CZ-CD1 4.21Å; T108-I164 HydrophobicContact CG2-CD1 4.29Å; Y110-I164 HydrophobicContact CE1-CD1 3.96Å; L141-I164 HydrophobicContact CB-CB 4.12Å; L141-I164 HydrophobicContact CB-CD1 4.36Å; L141-I164 PolarHBondContact N-O 2.74Å; L141-I164 VanDerWaalsContact N-O 3.1Å; L141-I164 PolarHBondContact O-N 2.83Å; I164-L170 HydrophobicContact CB-CD2 4.19Å; I164-L170 HydrophobicContact CG1-CD2 3.82Å; I164-L170 HydrophobicContact CG2-CD2 4.03Å
165	H	95.2	Very high	95	Very high	40 Å²	40	27.1 Å²	27.1	19%	0.185	15%	0.147	C	C	.	.			trans	-98.7	156.2	-173	-61.5	-95.5	0	0	0	111.6	N167 G168 K169 S171	H165-N167 WeakPolarHBondContact CB-OD1 3.12Å; H165-N167 PolarHBondContact O-N 3Å; H165-G168 PolarHBondContact O-N 3.04Å; H165-K169 HydrophobicContact CB-CB 4.11Å; H165-K169 WeakPolarHBondContact CB-O 3.49Å; H165-K169 PolarHBondContact CD2-O 3.07Å; H165-K169 VanDerWaalsContact CD2-O 3.31Å; H165-K169 PolarHBondContact N-O 3.13Å; H165-S171 PolarHBondContact NE2-OG 2.86Å
166	P	92.3	Very high	95.1	Very high	58 Å²	58	25.6 Å²	25.6	38%	0.377	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.3	-178.1	-26.2	36.5	0	0	0	115.1	F87 E139 G168	F87-P166 HydrophobicContact CB-CB 4.15Å; F87-P166 HydrophobicContact CD1-CG 4.25Å; F87-P166 HydrophobicContact CD2-CB 4.09Å; F87-P166 HydrophobicContact CD2-CG 4.46Å; F87-P166 HydrophobicContact CE1-CG 4.46Å; F87-P166 HydrophobicContact CG-CB 4.02Å; F87-P166 HydrophobicContact CG-CG 4.22Å; E139-P166 HydrophobicContact CB-CG 4.27Å; E139-P166 WeakPolarHBondContact O-CD 3.32Å; E139-P166 WeakPolarHBondContact O-CG 3.36Å; P166-G168 PolarHBondContact O-N 3.1Å
167	N	88.6	Confident	95.1	Very high	96 Å²	96	24 Å²	24	51%	0.513	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	6.4	176.3	66.6	-7.8	0	0	0	113.5	H165 K169	H165-N167 WeakPolarHBondContact CB-OD1 3.12Å; H165-N167 PolarHBondContact O-N 3Å; N167-K169 VanDerWaalsContact C-N 3.27Å; N167-K169 PolarHBondContact O-N 3.45Å; N167-K169 WeakPolarHBondContact OD1-CB 3.33Å; N167-K169 PolarHBondContact OD1-N 3.37Å
168	G	90.3	Very high	94.8	Very high	7 Å²	7	21.8 Å²	21.8	7%	0.072	12%	0.119	C	C	.	.	S	Bend	trans	80.7	1.7	-176.8	0	0	0	0	0	114.5	H165 P166	H165-G168 PolarHBondContact O-N 3.04Å; P166-G168 PolarHBondContact O-N 3.1Å
169	K	94.3	Very high	94.2	Very high	41 Å²	41	28.2 Å²	28.2	18%	0.178	16%	0.158	C	C	.	.			trans	-64.9	135.6	171.1	-175.8	174.2	68.8	166.7	0	109.7	H165 N167 E219 F220	H165-K169 HydrophobicContact CB-CB 4.11Å; H165-K169 WeakPolarHBondContact CB-O 3.49Å; H165-K169 PolarHBondContact CD2-O 3.07Å; H165-K169 VanDerWaalsContact CD2-O 3.31Å; H165-K169 PolarHBondContact N-O 3.13Å; N167-K169 VanDerWaalsContact C-N 3.27Å; N167-K169 PolarHBondContact O-N 3.45Å; N167-K169 WeakPolarHBondContact OD1-CB 3.33Å; N167-K169 PolarHBondContact OD1-N 3.37Å; K169-E219 HydrophobicContact CD-CB 4.38Å; K169-E219 WeakPolarHBondContact CE-OE1 3.37Å; K169-E219 IonicContact NZ-OE1 3.86Å; K169-E219 PolarHBondContact NZ-OE1 3.24Å; K169-F220 WeakPolarHBondContact CA-O 3.36Å; K169-F220 WeakPolarHBondContact CG-O 3.07Å
170	L	97.6	Very high	92.8	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.4	169.9	-56.3	172.4	0	0	0	108.2	F91 T120 L163 I164 I190 E219 F220	F91-L170 HydrophobicContact CD2-CD1 3.91Å; F91-L170 HydrophobicContact CE2-CD1 3.64Å; T120-L170 HydrophobicContact CG2-CD1 3.97Å; L163-L170 WeakPolarHBondContact O-CA 3.19Å; I164-L170 HydrophobicContact CB-CD2 4.19Å; I164-L170 HydrophobicContact CG1-CD2 3.82Å; I164-L170 HydrophobicContact CG2-CD2 4.03Å; L170-I190 HydrophobicContact CD1-CD1 4.48Å; L170-I190 HydrophobicContact CD1-CG2 4.18Å; L170-E219 CarbonylContact O-C 3.54Å; L170-E219 WeakPolarHBondContact O-CA 3.17Å; L170-F220 HydrophobicContact CB-CB 4.23Å; L170-F220 HydrophobicContact CB-CD2 4.2Å; L170-F220 PolarHBondContact N-O 3.1Å; L170-F220 PolarHBondContact O-N 3.08Å
171	S	97.9	Very high	91.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.2	175.2	62.3	0	0	0	0	113	S162 L163 H165 V218	S162-S171 CarbonylContact C-O 3.57Å; S162-S171 WeakPolarHBondContact CA-O 3.34Å; L163-S171 WeakPolarHBondContact CB-OG 3.39Å; L163-S171 PolarHBondContact N-O 3.26Å; L163-S171 PolarHBondContact O-N 3.27Å; H165-S171 PolarHBondContact NE2-OG 2.86Å; S171-V218 CarbonylContact C-O 3.59Å; S171-V218 WeakPolarHBondContact CA-O 3.4Å; S171-V218 WeakPolarHBondContact CB-O 3.45Å
172	F	98.3	Very high	90	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.8	170.1	-54.5	-29.3	0	0	0	110.4	T120 T161 S162 Y174 I190 V207 L217 V218 F220	T120-F172 HydrophobicContact CG2-CE1 4.44Å; T120-F172 HydrophobicContact CG2-CZ 4.11Å; T161-F172 CarbonylContact O-C 3.46Å; T161-F172 VanDerWaalsContact O-CA 3.22Å; T161-F172 WeakPolarHBondContact O-CA 3.15Å; S162-F172 WeakPolarHBondContact OG-CD1 3.38Å; S162-F172 WeakPolarHBondContact OG-CE1 3.16Å; F172-Y174 HydrophobicContact CB-CE1 4.1Å; F172-I190 HydrophobicContact CE2-CG2 4.34Å; F172-I190 HydrophobicContact CZ-CG2 3.93Å; F172-V207 HydrophobicContact CD2-CG2 4.14Å; F172-V207 HydrophobicContact CE2-CG2 4.47Å; F172-L217 CarbonylContact O-C 3.53Å; F172-L217 WeakPolarHBondContact O-CA 3.27Å; F172-V218 HydrophobicContact CB-CB 4.23Å; F172-V218 PolarHBondContact N-O 3.32Å; F172-V218 PolarHBondContact O-N 2.75Å; F172-F220 AromaticContact CD2-CE2 3.74Å; F172-F220 HydrophobicContact CD2-CE2 3.74Å; F172-F220 HydrophobicContact CD2-CZ 4.36Å; F172-F220 AromaticContact CE2-CE2 3.5Å; F172-F220 HydrophobicContact CE2-CE2 3.5Å; F172-F220 HydrophobicContact CE2-CZ 4.03Å; F172-F220 HydrophobicContact CG-CE2 4.44Å; F172-F220 HydrophobicContact CZ-CE2 4.03Å
173	Y	98.3	Very high	88.7	Confident	13 Å²	13	51 Å²	51	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.5	174.6	179.1	-101.7	0	0	0	109.8	Q64 S65 Q66 P67 T161 D175 L217	Q64-Y173 HydrophobicContact CB-CE2 4.42Å; Q64-Y173 WeakPolarHBondContact O-CE2 3.34Å; Q64-Y173 PolarHBondContact O-OH 3.49Å; S65-Y173 WeakPolarHBondContact O-CE2 3.5Å; Q66-Y173 HydrophobicContact CB-CD1 4.49Å; Q66-Y173 HydrophobicContact CB-CE1 3.8Å; Q66-Y173 HydrophobicContact CG-CD1 4.15Å; Q66-Y173 HydrophobicContact CG-CE1 3.86Å; Q66-Y173 PolarHBondContact N-OH 3.46Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CG 4.16Å; T161-Y173 PolarHBondContact N-O 3.34Å; T161-Y173 PolarHBondContact O-N 2.87Å; Y173-D175 HydrophobicContact CD1-CB 4.33Å; Y173-D175 HydrophobicContact CE1-CB 3.73Å; Y173-L217 HydrophobicContact CD2-CB 4.35Å; Y173-L217 HydrophobicContact CD2-CD1 4.35Å
174	Y	97.3	Very high	87.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.8	-177.2	-41.1	-71.5	0	0	0	111.1	N122 M160 F172 S188 I212 G215 S216 V218	N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; M160-Y174 HydrophobicContact CB-CD1 4.47Å; M160-Y174 HydrophobicContact CE-CD1 3.64Å; M160-Y174 HydrophobicContact CE-CE1 3.6Å; M160-Y174 HydrophobicContact CG-CD1 4.2Å; F172-Y174 HydrophobicContact CB-CE1 4.1Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.47Å; Y174-S188 WeakPolarHBondContact OH-CB 3.45Å; Y174-S188 PolarHBondContact OH-OG 3.09Å; Y174-I212 HydrophobicContact CD1-CG2 3.82Å; Y174-I212 HydrophobicContact CD2-CG2 4.13Å; Y174-I212 HydrophobicContact CE1-CG2 3.82Å; Y174-I212 HydrophobicContact CE2-CB 4.34Å; Y174-I212 HydrophobicContact CE2-CG1 4.3Å; Y174-I212 HydrophobicContact CE2-CG2 4.11Å; Y174-I212 HydrophobicContact CG-CG2 3.98Å; Y174-G215 PolarHBondContact O-N 3.27Å; Y174-S216 WeakPolarHBondContact CD2-O 3.42Å; Y174-S216 PolarHBondContact N-O 2.8Å; Y174-S216 VanDerWaalsContact N-O 3.17Å; Y174-V218 HydrophobicContact CE2-CG2 3.75Å
175	D	95.9	Very high	87.3	Confident	35 Å²	35	57.7 Å²	57.7	19%	0.187	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.7	-176	-169.9	18.1	0	0	0	110.1	I159 Y173 I177	I159-D175 WeakPolarHBondContact CA-O 3.32Å; I159-D175 HydrophobicContact CB-CB 4.08Å; I159-D175 HydrophobicContact CG2-CB 4.47Å; I159-D175 PolarHBondContact N-O 3.4Å; I159-D175 PolarHBondContact O-N 3.2Å; I159-D175 VanDerWaalsContact O-O 3.11Å; Y173-D175 HydrophobicContact CD1-CB 4.33Å; Y173-D175 HydrophobicContact CE1-CB 3.73Å; D175-I177 PolarHBondContact O-N 2.86Å; D175-I177 VanDerWaalsContact O-N 3.11Å
176	N	93.3	Very high	87.1	Confident	82 Å²	82	57.3 Å²	57.3	44%	0.439	29%	0.294	S	S	.	.	S	Bend	trans	49.2	34.4	-174.5	-62	-26.7	0	0	0	114.5	T157 C214	T157-N176 WeakPolarHBondContact O-CB 3.41Å; N176-C214 PolarHBondContact N-SG 2.64Å; N176-C214 VanDerWaalsContact N-SG 3.4Å
177	I	91.9	Very high	87.2	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.082	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-73.3	124.1	174.9	-55.8	-53.6	0	0	0	109.2	A158 M160 D175 L186	A158-I177 HydrophobicContact CB-CD1 3.95Å; M160-I177 HydrophobicContact CG-CD1 4.25Å; D175-I177 PolarHBondContact O-N 2.86Å; D175-I177 VanDerWaalsContact O-N 3.11Å; I177-L186 HydrophobicContact CD1-CD2 4.09Å; I177-L186 HydrophobicContact CG2-CD2 3.7Å
178	P	86.5	Confident	87.6	Confident	28 Å²	28	53.1 Å²	53.1	18%	0.182	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64.1	147.6	175.9	29.3	-36.5	0	0	0	110.6	I149 V151 V156 I184	I149-P178 HydrophobicContact CD1-CG 3.6Å; V151-P178 HydrophobicContact CG2-CB 4.02Å; V151-P178 HydrophobicContact CG2-CG 4.14Å; V156-P178 HydrophobicContact CG2-CB 4.46Å; P178-I184 HydrophobicContact CG-CD1 3.94Å
179	T	80.9	Confident	87.9	Confident	134 Å²	134	52.8 Å²	52.8	82%	0.822	26%	0.264	S	S	*	.	S	Bend	trans	-57.5	142.8	172	-48.6	0	0	0	0	110.1	N181	T179-N181 PolarHBondContact O-N 3.42Å; T179-N181 VanDerWaalsContact O-N 3.14Å
180	E	66.1	Low	88	Confident	143 Å²	143	50.9 Å²	50.9	67%	0.668	26%	0.256	S	S	*	.			trans	-33.6	113.2	-174.5	-73.2	166.5	-153.8	0	0	112.9	K213	E180-K213 WeakPolarHBondContact OE1-CE 3.44Å; E180-K213 IonicContact OE1-NZ 3.14Å; E180-K213 PolarHBondContact OE1-NZ 3.14Å
181	N	67.3	Low	88	Confident	34 Å²	34	51.5 Å²	51.5	18%	0.182	26%	0.26	C	S	.	.			trans	-117.7	126.4	165.5	177.4	8.7	0	0	0	106.2	T179 E183 I184	T179-N181 PolarHBondContact O-N 3.42Å; T179-N181 VanDerWaalsContact O-N 3.14Å; N181-E183 PolarHBondContact O-N 2.83Å; N181-E183 PolarHBondContact OD1-N 2.86Å; N181-I184 HydrophobicContact CB-CD1 4.12Å; N181-I184 HydrophobicContact CB-CG1 4.28Å; N181-I184 PolarHBondContact O-N 2.98Å
182	E	65.9	Low	87.9	Confident	194 Å²	194	51.3 Å²	51.3	91%	0.907	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25	-176.4	-65.6	-173.9	169.2	0	0	113.2	I184	E182-I184 VanDerWaalsContact C-N 3.33Å
183	E	70.4	Confident	87.7	Confident	138 Å²	138	52.2 Å²	52.2	65%	0.645	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21	178.6	-62.3	-174.6	160.6	0	0	113.9	N126 N181	N126-E183 PolarHBondContact ND2-O 3.46Å; N181-E183 PolarHBondContact O-N 2.83Å; N181-E183 PolarHBondContact OD1-N 2.86Å
184	I	79	Confident	87.4	Confident	22 Å²	22	52 Å²	52	11%	0.113	27%	0.265	C	S	.	.			trans	-98.2	106.5	-175.5	-58.5	174.7	0	0	0	109	I124 I149 V151 P178 N181 E182 L186	I124-I184 HydrophobicContact CG2-CG2 3.54Å; I149-I184 HydrophobicContact CD1-CD1 4.04Å; V151-I184 HydrophobicContact CG2-CD1 3.56Å; P178-I184 HydrophobicContact CG-CD1 3.94Å; N181-I184 HydrophobicContact CB-CD1 4.12Å; N181-I184 HydrophobicContact CB-CG1 4.28Å; N181-I184 PolarHBondContact O-N 2.98Å; E182-I184 VanDerWaalsContact C-N 3.33Å; I184-L186 HydrophobicContact CB-CD1 4.42Å; I184-L186 HydrophobicContact CG2-CD1 3.61Å; I184-L186 HydrophobicContact CG2-CG 4.03Å
185	K	87	Confident	87	Confident	123 Å²	123	60.2 Å²	60.2	54%	0.535	30%	0.296	S	S	.	.			trans	-89.6	113	170	-65.6	177.4	-180	177	0	109.6	I124 E125	I124-K185 WeakPolarHBondContact CA-O 3.5Å; E125-K185 HydrophobicContact CB-CB 4.17Å; E125-K185 HydrophobicContact CG-CB 4.3Å; E125-K185 PolarHBondContact N-O 3.08Å; E125-K185 VanDerWaalsContact OE2-CD 3.31Å; E125-K185 WeakPolarHBondContact OE2-CD 3.13Å
186	L	90.9	Very high	86.7	Confident	32 Å²	32	59.5 Å²	59.5	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.3	169.7	-58.1	98.2	0	0	0	108.9	I124 M160 I177 I184 I212	I124-L186 HydrophobicContact CD1-CD2 3.86Å; I124-L186 HydrophobicContact CD1-CG 4.42Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG1-CG 4.09Å; M160-L186 HydrophobicContact CE-CD2 4.29Å; I177-L186 HydrophobicContact CD1-CD2 4.09Å; I177-L186 HydrophobicContact CG2-CD2 3.7Å; I184-L186 HydrophobicContact CB-CD1 4.42Å; I184-L186 HydrophobicContact CG2-CD1 3.61Å; I184-L186 HydrophobicContact CG2-CG 4.03Å; L186-I212 HydrophobicContact CB-CB 4.44Å; L186-I212 HydrophobicContact CB-CD1 4.12Å; L186-I212 HydrophobicContact CB-CG2 3.9Å; L186-I212 HydrophobicContact CD2-CG2 3.77Å; L186-I212 HydrophobicContact CG-CG2 4.43Å
187	L	93.3	Very high	86.4	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.335	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.6	-176.6	-66.5	170.7	0	0	0	109.2	Y121 N122 Y123	Y121-L187 HydrophobicContact CD2-CB 4.18Å; Y121-L187 HydrophobicContact CE2-CB 4.16Å; N122-L187 WeakPolarHBondContact CA-O 3.47Å; Y123-L187 HydrophobicContact CD1-CB 4.28Å; Y123-L187 HydrophobicContact CE1-CB 3.84Å; Y123-L187 HydrophobicContact CE1-CD1 4.18Å; Y123-L187 HydrophobicContact CE2-CD1 4.29Å; Y123-L187 PolarHBondContact N-O 3.25Å; Y123-L187 PolarHBondContact O-N 3.47Å; Y123-L187 WeakPolarHBondContact OH-CD1 3.49Å
188	S	96.4	Very high	86	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.014	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.4	177.2	-53	0	0	0	0	109.8	Y121 N122 M160 Y174 V207	Y121-S188 CarbonylContact O-C 3.59Å; Y121-S188 VanDerWaalsContact O-CA 3.25Å; Y121-S188 WeakPolarHBondContact O-CA 3.39Å; N122-S188 PolarHBondContact OD1-OG 3.37Å; M160-S188 WeakPolarHBondContact CE-OG 3.38Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.47Å; Y174-S188 WeakPolarHBondContact OH-CB 3.45Å; Y174-S188 PolarHBondContact OH-OG 3.09Å; S188-V207 WeakPolarHBondContact O-CB 3.4Å; S188-V207 PolarHBondContact O-N 3.22Å
189	G	97.3	Very high	86.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	178.4	-179.5	0	0	0	0	0	113.7	T120 Y121 I205	T120-G189 WeakPolarHBondContact CA-O 3.49Å; Y121-G189 VanDerWaalsContact CZ-CA 3.47Å; Y121-G189 PolarHBondContact N-O 2.89Å; Y121-G189 PolarHBondContact O-N 3.32Å; G189-I205 CarbonylContact C-O 3.59Å; G189-I205 WeakPolarHBondContact CA-O 3.06Å
190	I	97.4	Very high	86.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.3	178.8	74.6	172.3	0	0	0	109.7	Y56 F91 Y92 T120 L170 F172 E204 I205 F220	Y56-I190 HydrophobicContact CD1-CD1 4.33Å; Y56-I190 HydrophobicContact CD2-CD1 3.73Å; Y56-I190 HydrophobicContact CE1-CD1 4.5Å; Y56-I190 HydrophobicContact CE2-CD1 3.93Å; Y56-I190 HydrophobicContact CG-CD1 3.96Å; F91-I190 HydrophobicContact CE2-CB 4.2Å; F91-I190 HydrophobicContact CE2-CD1 4.25Å; F91-I190 HydrophobicContact CZ-CB 4.12Å; Y92-I190 HydrophobicContact CE2-CD1 4.16Å; Y92-I190 HydrophobicContact CE2-CG1 4.25Å; T120-I190 HydrophobicContact CG2-CB 3.91Å; T120-I190 HydrophobicContact CG2-CG2 3.35Å; L170-I190 HydrophobicContact CD1-CD1 4.48Å; L170-I190 HydrophobicContact CD1-CG2 4.18Å; F172-I190 HydrophobicContact CE2-CG2 4.34Å; F172-I190 HydrophobicContact CZ-CG2 3.93Å; I190-E204 WeakPolarHBondContact O-CA 3.08Å; I190-I205 HydrophobicContact CD1-CD1 4Å; I190-I205 HydrophobicContact CG1-CB 4.01Å; I190-I205 HydrophobicContact CG1-CD1 4.12Å; I190-I205 HydrophobicContact CG1-CG1 4.27Å; I190-I205 PolarHBondContact N-O 3.23Å; I190-I205 PolarHBondContact O-N 3.24Å; I190-F220 HydrophobicContact CD1-CB 4.29Å; I190-F220 HydrophobicContact CD1-CD1 3.93Å; I190-F220 HydrophobicContact CD1-CE1 4.47Å; I190-F220 HydrophobicContact CD1-CG 4.09Å; I190-F220 HydrophobicContact CG1-CD1 4.35Å; I190-F220 HydrophobicContact CG1-CE1 4.41Å; I190-F220 HydrophobicContact CG2-CD2 4.04Å; I190-F220 HydrophobicContact CG2-CE1 4.43Å; I190-F220 HydrophobicContact CG2-CE2 3.94Å; I190-F220 HydrophobicContact CG2-CG 4.33Å; I190-F220 HydrophobicContact CG2-CZ 4.13Å
191	V	96.8	Very high	88	Confident	16 Å²	16	60.2 Å²	60.2	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122	-178	-171.7	0	0	0	0	110	F91 G118 N119 Y121 K202 P203 E204	F91-V191 WeakPolarHBondContact CE1-O 3.32Å; G118-V191 CarbonylContact C-O 3.55Å; G118-V191 WeakPolarHBondContact CA-O 3.3Å; N119-V191 PolarHBondContact N-O 3.34Å; N119-V191 PolarHBondContact O-N 2.85Å; Y121-V191 HydrophobicContact CD1-CG2 3.99Å; Y121-V191 HydrophobicContact CE1-CG2 3.56Å; V191-K202 HydrophobicContact CG1-CB 4.06Å; V191-P203 CarbonylContact C-O 3.44Å; V191-P203 WeakPolarHBondContact CA-O 3.05Å; V191-E204 HydrophobicContact CG1-CB 4.46Å; V191-E204 HydrophobicContact CG2-CB 4.15Å; V191-E204 HydrophobicContact CG2-CG 3.86Å
192	G	95.7	Very high	89.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	167.9	173	0	0	0	0	0	113.2	Y92 I117 K202 P203	Y92-G192 VanDerWaalsContact CE2-N 3.3Å; I117-G192 CarbonylContact O-C 3.41Å; G192-K202 VanDerWaalsContact O-CA 3.3Å; G192-K202 WeakPolarHBondContact O-CA 2.97Å; G192-P203 PolarHBondContact N-O 2.93Å
193	S	94.4	Very high	90.7	Very high	20 Å²	20	54.6 Å²	54.6	14%	0.14	29%	0.289	C	S	.	.			trans	-137.6	96.5	174.9	-160.2	0	0	0	0	109	I117 L200	I117-S193 VanDerWaalsContact C-CB 3.5Å; I117-S193 WeakPolarHBondContact O-CA 3.48Å; I117-S193 WeakPolarHBondContact O-CB 3Å; I117-S193 PolarHBondContact O-N 3.42Å; S193-L200 VanDerWaalsContact OG-CD1 3.28Å; S193-L200 WeakPolarHBondContact OG-CD1 3.36Å; S193-L200 WeakPolarHBondContact OG-CD2 3.43Å
194	I	91.5	Very high	91.9	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.4	-174.2	-64.7	173	0	0	0	109	N27 I29 Y54 L200 K201 P203	N27-I194 HydrophobicContact CB-CG2 4.13Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.31Å; I29-I194 HydrophobicContact CG2-CB 4.47Å; I29-I194 HydrophobicContact CG2-CD1 3.83Å; I29-I194 HydrophobicContact CG2-CG2 4.01Å; Y54-I194 HydrophobicContact CE1-CD1 3.71Å; I194-L200 WeakPolarHBondContact O-CD1 3.2Å; I194-K201 HydrophobicContact CB-CB 4.34Å; I194-K201 PolarHBondContact N-O 2.96Å; I194-K201 PolarHBondContact O-N 3.32Å; I194-P203 HydrophobicContact CD1-CG 3.89Å
195	R	89.7	Confident	92.8	Very high	173 Å²	173	50.5 Å²	50.5	65%	0.653	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.3	175.8	-65.9	-177.4	-176.1	174.8	1.6	109.9	L200	R195-L200 HydrophobicContact CG-CD1 4.03Å
196	C	89.8	Confident	93.3	Very high	21 Å²	21	47.7 Å²	47.7	14%	0.142	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	167.8	172	-56.8	0	0	0	0	110	C30 G198 G199 K201	C30-C196 WeakPolarHBondContact CA-SG 3.37Å; C30-C196 HydrophobicContact CB-CB 3.7Å; C30-C196 WeakPolarHBondContact CB-SG 3.38Å; C30-C196 WeakPolarHBondContact SG-CB 3.36Å; C30-C196 CovalentContact SG-SG 2.04Å; C30-C196 PolarHBondContact SG-SG 3.23Å; C196-G198 VanDerWaalsContact C-N 3.28Å; C196-G198 PolarHBondContact O-N 3.31Å; C196-G199 CarbonylContact C-O 3.52Å; C196-G199 WeakPolarHBondContact CA-O 3.48Å; C196-G199 WeakPolarHBondContact CB-O 3.46Å; C196-G199 PolarHBondContact N-O 2.92Å; C196-G199 PolarHBondContact O-N 2.92Å; C196-G199 VanDerWaalsContact O-N 3.13Å; C196-G199 VanDerWaalsContact O-O 3.08Å; C196-K201 HydrophobicContact CB-CG 4.4Å; C196-K201 WeakPolarHBondContact SG-CG 3.23Å
197	E	85.2	Confident	93.6	Very high	158 Å²	158	46.5 Å²	46.5	74%	0.738	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.2	177.1	-172.6	171.5	179.1	0	0	112.6	N25 G199	N25-E197 PolarHBondContact ND2-OE2 3.34Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.26Å
198	G	84.9	Confident	93.7	Very high	88 Å²	88	44.9 Å²	44.9	91%	0.907	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	5.3	177.7	0	0	0	0	0	115.5	C196	C196-G198 VanDerWaalsContact C-N 3.28Å; C196-G198 PolarHBondContact O-N 3.31Å
199	G	89.7	Confident	93.6	Very high	39 Å²	39	48.3 Å²	48.3	40%	0.402	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122	-164	-178.4	0	0	0	0	0	113.5	C196 E197	C196-G199 CarbonylContact C-O 3.52Å; C196-G199 WeakPolarHBondContact CA-O 3.48Å; C196-G199 WeakPolarHBondContact CB-O 3.46Å; C196-G199 PolarHBondContact N-O 2.92Å; C196-G199 PolarHBondContact O-N 2.92Å; C196-G199 VanDerWaalsContact O-N 3.13Å; C196-G199 VanDerWaalsContact O-O 3.08Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.26Å
200	L	91.1	Very high	93.3	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.2	-177	-170.7	74	0	0	0	110.8	S193 I194 R195 K202	S193-L200 VanDerWaalsContact OG-CD1 3.28Å; S193-L200 WeakPolarHBondContact OG-CD1 3.36Å; S193-L200 WeakPolarHBondContact OG-CD2 3.43Å; I194-L200 WeakPolarHBondContact O-CD1 3.2Å; R195-L200 HydrophobicContact CG-CD1 4.03Å; L200-K202 HydrophobicContact CD2-CG 4.21Å; L200-K202 HydrophobicContact CG-CG 4.38Å
201	K	93.4	Very high	93.2	Very high	50 Å²	50	54 Å²	54	22%	0.217	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.5	169.7	-66.3	-55.2	-164.1	170.7	0	110.5	I29 E36 I194 C196	I29-K201 HydrophobicContact CD1-CB 4.21Å; I29-K201 HydrophobicContact CG1-CB 4.27Å; I29-K201 HydrophobicContact CG1-CG 4.44Å; I29-K201 HydrophobicContact CG2-CB 4.49Å; E36-K201 WeakPolarHBondContact OE2-CD 3.36Å; E36-K201 IonicContact OE2-NZ 3.38Å; E36-K201 PolarHBondContact OE2-NZ 3.28Å; I194-K201 HydrophobicContact CB-CB 4.34Å; I194-K201 PolarHBondContact N-O 2.96Å; I194-K201 PolarHBondContact O-N 3.32Å; C196-K201 HydrophobicContact CB-CG 4.4Å; C196-K201 WeakPolarHBondContact SG-CG 3.23Å
202	K	94.8	Very high	93.1	Very high	109 Å²	109	53.6 Å²	53.6	47%	0.474	30%	0.302	S	S	.	.			trans	-125.6	75.8	-177.2	-65.6	-174.9	-178	-178.2	0	110.1	E36 V191 G192 L200 E204	E36-K202 PolarHBondContact OE1-N 2.83Å; V191-K202 HydrophobicContact CG1-CB 4.06Å; G192-K202 VanDerWaalsContact O-CA 3.3Å; G192-K202 WeakPolarHBondContact O-CA 2.97Å; L200-K202 HydrophobicContact CD2-CG 4.21Å; L200-K202 HydrophobicContact CG-CG 4.38Å; K202-E204 PolarHBondContact O-N 2.85Å
203	P	96.1	Very high	93.1	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	32%	0.316	C	S	.	.			trans	-58.1	129.4	173.8	25.8	-32.9	0	0	0	109.2	I29 E36 Y54 Y92 V191 G192 I194	I29-P203 HydrophobicContact CD1-CB 3.72Å; I29-P203 HydrophobicContact CD1-CG 3.98Å; E36-P203 WeakPolarHBondContact O-CA 3.05Å; Y54-P203 HydrophobicContact CD1-CB 3.7Å; Y54-P203 HydrophobicContact CD1-CG 3.99Å; Y54-P203 HydrophobicContact CE1-CB 4.42Å; Y54-P203 HydrophobicContact CE1-CG 4.26Å; Y92-P203 HydrophobicContact CD1-CB 4.39Å; Y92-P203 HydrophobicContact CD1-CG 3.7Å; Y92-P203 HydrophobicContact CE1-CB 3.74Å; Y92-P203 HydrophobicContact CE1-CG 3.5Å; Y92-P203 HydrophobicContact CG-CG 4.36Å; Y92-P203 PolarHBondContact OH-O 3.39Å; V191-P203 CarbonylContact C-O 3.44Å; V191-P203 WeakPolarHBondContact CA-O 3.05Å; G192-P203 PolarHBondContact N-O 2.93Å; I194-P203 HydrophobicContact CD1-CG 3.89Å
204	E	96.4	Very high	93.1	Very high	70 Å²	70	58.5 Å²	58.5	33%	0.327	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.2	-175.9	173.1	163.7	-160.9	0	0	110.3	E36 Y121 I190 V191 K202	E36-E204 PolarHBondContact O-N 2.92Å; Y121-E204 VanDerWaalsContact CE1-OE1 3.29Å; Y121-E204 WeakPolarHBondContact CE1-OE1 3.36Å; Y121-E204 VanDerWaalsContact CZ-OE1 3.26Å; Y121-E204 PolarHBondContact OH-OE1 2.77Å; I190-E204 WeakPolarHBondContact O-CA 3.08Å; V191-E204 HydrophobicContact CG1-CB 4.46Å; V191-E204 HydrophobicContact CG2-CB 4.15Å; V191-E204 HydrophobicContact CG2-CG 3.86Å; K202-E204 PolarHBondContact O-N 2.85Å
205	I	97.7	Very high	93.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107.6	172.1	-50.4	170.9	0	0	0	107.8	H53 Y56 M58 G189 I190 F220	H53-I205 HydrophobicContact CB-CD1 3.38Å; H53-I205 HydrophobicContact CB-CG1 3.72Å; Y56-I205 HydrophobicContact CD2-CD1 4.3Å; Y56-I205 HydrophobicContact CG-CD1 4.37Å; M58-I205 HydrophobicContact SD-CG2 4.14Å; G189-I205 CarbonylContact C-O 3.59Å; G189-I205 WeakPolarHBondContact CA-O 3.06Å; I190-I205 HydrophobicContact CD1-CD1 4Å; I190-I205 HydrophobicContact CG1-CB 4.01Å; I190-I205 HydrophobicContact CG1-CD1 4.12Å; I190-I205 HydrophobicContact CG1-CG1 4.27Å; I190-I205 PolarHBondContact N-O 3.23Å; I190-I205 PolarHBondContact O-N 3.24Å; I205-F220 HydrophobicContact CB-CE1 4.15Å; I205-F220 HydrophobicContact CD1-CD1 4.46Å; I205-F220 HydrophobicContact CG2-CD1 4.36Å; I205-F220 HydrophobicContact CG2-CE1 3.69Å
206	S	97.1	Very high	93.7	Very high	63 Å²	63	50.3 Å²	50.3	44%	0.441	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134	174.9	-54.6	0	0	0	0	110.5	Y121 P208	Y121-S206 PolarHBondContact OH-OG 3.13Å; S206-P208 WeakPolarHBondContact O-CD 3.39Å
207	V	97.6	Very high	94.1	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.048	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.9	123.5	168.4	-177.5	0	0	0	0	107.9	M58 I60 F172 S188 A209 W211 I212 V218 F220	M58-V207 HydrophobicContact SD-CG2 4.32Å; I60-V207 HydrophobicContact CD1-CG1 4.18Å; F172-V207 HydrophobicContact CD2-CG2 4.14Å; F172-V207 HydrophobicContact CE2-CG2 4.47Å; S188-V207 WeakPolarHBondContact O-CB 3.4Å; S188-V207 PolarHBondContact O-N 3.22Å; V207-A209 PolarHBondContact O-N 3.29Å; V207-W211 HydrophobicContact CG1-CB 4.33Å; V207-I212 HydrophobicContact CB-CD1 4.45Å; V207-I212 HydrophobicContact CB-CG1 4.34Å; V207-I212 HydrophobicContact CG1-CD1 4.45Å; V207-I212 HydrophobicContact CG1-CG1 3.82Å; V207-V218 HydrophobicContact CG1-CG2 3.82Å; V207-V218 HydrophobicContact CG2-CB 4.48Å; V207-V218 HydrophobicContact CG2-CG1 3.91Å; V207-V218 HydrophobicContact CG2-CG2 4.13Å; V207-F220 HydrophobicContact CG2-CZ 3.88Å
208	P	95.6	Very high	94.7	Very high	30 Å²	30	42.7 Å²	42.7	20%	0.195	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.3	132.5	-179.5	-13.5	22.9	0	0	0	110.5	S206 K210 W211	S206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-K210 PolarHBondContact O-N 3.4Å; P208-W211 WeakPolarHBondContact O-CB 3.4Å; P208-W211 PolarHBondContact O-N 3Å
209	A	92.8	Very high	95.4	Very high	74 Å²	74	39.5 Å²	39.5	61%	0.612	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-52.1	-37	-171.6	0	0	0	0	0	113.9	V207 W211 I212	V207-A209 PolarHBondContact O-N 3.29Å; A209-W211 PolarHBondContact O-N 3.39Å; A209-I212 PolarHBondContact O-N 3.25Å
210	K	92.5	Very high	95.8	Very high	110 Å²	110	37.7 Å²	37.7	48%	0.478	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.7	-19.1	177.6	72.2	177.7	-173.1	174.5	0	114.5	E44 P208 K213	E44-K210 WeakPolarHBondContact OE1-CE 3.34Å; E44-K210 IonicContact OE1-NZ 2.93Å; E44-K210 PolarHBondContact OE1-NZ 3.17Å; E44-K210 IonicContact OE2-NZ 2.66Å; P208-K210 PolarHBondContact O-N 3.4Å; K210-K213 WeakPolarHBondContact O-CD 3.22Å; K210-K213 WeakPolarHBondContact O-CE 3.28Å; K210-K213 PolarHBondContact O-NZ 3.12Å
211	W	95.4	Very high	96	Very high	9 Å²	9	35 Å²	35	3%	0.034	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-96.1	-14.4	179.7	-74.1	103.3	0	0	0	113.7	E44 N45 Y48 R49 I60 R62 V207 P208 A209 K213 S216	E44-W211 HydrophobicContact CG-CZ2 3.97Å; E44-W211 PolarHBondContact OE1-NE1 3.09Å; N45-W211 WeakPolarHBondContact O-CH2 3.36Å; N45-W211 VanDerWaalsContact O-CZ2 3.28Å; N45-W211 WeakPolarHBondContact O-CZ2 3.47Å; Y48-W211 VanDerWaalsContact C-CH2 3.45Å; Y48-W211 VanDerWaalsContact N-CH2 3.32Å; R49-W211 HydrophobicContact CB-CH2 4.08Å; R49-W211 HydrophobicContact CB-CZ2 3.66Å; I60-W211 HydrophobicContact CB-CD2 4.31Å; I60-W211 HydrophobicContact CB-CE3 4.03Å; I60-W211 HydrophobicContact CB-CZ3 4.46Å; I60-W211 HydrophobicContact CD1-CB 3.82Å; I60-W211 HydrophobicContact CD1-CD2 4.15Å; I60-W211 HydrophobicContact CD1-CG 3.72Å; I60-W211 HydrophobicContact CG2-CB 4.08Å; I60-W211 HydrophobicContact CG2-CD2 3.87Å; I60-W211 HydrophobicContact CG2-CE3 3.36Å; I60-W211 HydrophobicContact CG2-CG 4.18Å; I60-W211 HydrophobicContact CG2-CZ3 4.07Å; R62-W211 HydrophobicContact CG-CE3 4.07Å; R62-W211 HydrophobicContact CG-CZ3 3.76Å; V207-W211 HydrophobicContact CG1-CB 4.33Å; P208-W211 WeakPolarHBondContact O-CB 3.4Å; P208-W211 PolarHBondContact O-N 3Å; A209-W211 PolarHBondContact O-N 3.39Å; W211-K213 VanDerWaalsContact C-N 3.25Å; W211-K213 PolarHBondContact O-N 3.06Å; W211-S216 WeakPolarHBondContact O-CB 3.34Å; W211-S216 PolarHBondContact O-OG 3.13Å
212	I	94.7	Very high	96	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.036	19%	0.193	C	C	.	.			trans	-79.4	78	177	-51.6	177.2	0	0	0	108.3	M160 Y174 L186 V207 A209	M160-I212 HydrophobicContact CE-CG2 3.94Å; Y174-I212 HydrophobicContact CD1-CG2 3.82Å; Y174-I212 HydrophobicContact CD2-CG2 4.13Å; Y174-I212 HydrophobicContact CE1-CG2 3.82Å; Y174-I212 HydrophobicContact CE2-CB 4.34Å; Y174-I212 HydrophobicContact CE2-CG1 4.3Å; Y174-I212 HydrophobicContact CE2-CG2 4.11Å; Y174-I212 HydrophobicContact CG-CG2 3.98Å; L186-I212 HydrophobicContact CB-CB 4.44Å; L186-I212 HydrophobicContact CB-CD1 4.12Å; L186-I212 HydrophobicContact CB-CG2 3.9Å; L186-I212 HydrophobicContact CD2-CG2 3.77Å; L186-I212 HydrophobicContact CG-CG2 4.43Å; V207-I212 HydrophobicContact CB-CD1 4.45Å; V207-I212 HydrophobicContact CB-CG1 4.34Å; V207-I212 HydrophobicContact CG1-CD1 4.45Å; V207-I212 HydrophobicContact CG1-CG1 3.82Å; A209-I212 PolarHBondContact O-N 3.25Å
213	K	93.9	Very high	95.8	Very high	66 Å²	66	30.3 Å²	30.3	29%	0.287	17%	0.174	S	C	.	.			trans	-132.1	158.5	-175.5	-68.5	-176.5	174	171.1	0	110.4	E180 K210 W211 G215 S216	E180-K213 WeakPolarHBondContact OE1-CE 3.44Å; E180-K213 IonicContact OE1-NZ 3.14Å; E180-K213 PolarHBondContact OE1-NZ 3.14Å; K210-K213 WeakPolarHBondContact O-CD 3.22Å; K210-K213 WeakPolarHBondContact O-CE 3.28Å; K210-K213 PolarHBondContact O-NZ 3.12Å; W211-K213 VanDerWaalsContact C-N 3.25Å; W211-K213 PolarHBondContact O-N 3.06Å; K213-G215 PolarHBondContact O-N 2.91Å; K213-S216 VanDerWaalsContact O-CB 3.26Å; K213-S216 WeakPolarHBondContact O-CB 3.32Å; K213-S216 PolarHBondContact O-N 3.02Å; K213-S216 PolarHBondContact O-OG 3.2Å
214	C	94.9	Very high	95.5	Very high	57 Å²	57	31 Å²	31	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.8	176.3	-170.6	0	0	0	0	111	N176 S216	N176-C214 PolarHBondContact N-SG 2.64Å; N176-C214 VanDerWaalsContact N-SG 3.4Å; C214-S216 VanDerWaalsContact C-N 3.29Å; C214-S216 PolarHBondContact O-N 3.38Å
215	G	96.5	Very high	95	Very high	9 Å²	9	33.7 Å²	33.7	9%	0.093	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	11	-178.3	0	0	0	0	0	114.6	R62 N63 Q64 Y174 K213	R62-G215 CarbonylContact C-O 3.5Å; N63-G215 PolarHBondContact N-O 3.23Å; Q64-G215 PolarHBondContact N-O 2.82Å; Y174-G215 PolarHBondContact O-N 3.27Å; K213-G215 PolarHBondContact O-N 2.91Å
216	S	97.7	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.7	171.5	-72.1	0	0	0	0	110.9	Q61 Y174 W211 K213 C214	Q61-S216 CarbonylContact O-C 3.58Å; Q61-S216 WeakPolarHBondContact O-CA 3.3Å; Y174-S216 WeakPolarHBondContact CD2-O 3.42Å; Y174-S216 PolarHBondContact N-O 2.8Å; Y174-S216 VanDerWaalsContact N-O 3.17Å; W211-S216 WeakPolarHBondContact O-CB 3.34Å; W211-S216 PolarHBondContact O-OG 3.13Å; K213-S216 VanDerWaalsContact O-CB 3.26Å; K213-S216 WeakPolarHBondContact O-CB 3.32Å; K213-S216 PolarHBondContact O-N 3.02Å; K213-S216 PolarHBondContact O-OG 3.2Å; C214-S216 VanDerWaalsContact C-N 3.29Å; C214-S216 PolarHBondContact O-N 3.38Å
217	L	98.4	Very high	94.4	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.8	170.1	-179.7	67.1	0	0	0	108.8	I60 Q61 Q64 P67 F172 Y173 E219	I60-L217 CarbonylContact C-O 3.57Å; I60-L217 WeakPolarHBondContact CA-O 3.47Å; Q61-L217 PolarHBondContact N-O 3.02Å; Q61-L217 PolarHBondContact O-N 3.34Å; Q64-L217 HydrophobicContact CB-CB 3.9Å; Q64-L217 HydrophobicContact CG-CB 3.76Å; Q64-L217 HydrophobicContact CG-CD2 4.44Å; P67-L217 HydrophobicContact CG-CD1 4.38Å; F172-L217 CarbonylContact O-C 3.53Å; F172-L217 WeakPolarHBondContact O-CA 3.27Å; Y173-L217 HydrophobicContact CD2-CB 4.35Å; Y173-L217 HydrophobicContact CD2-CD1 4.35Å; L217-E219 HydrophobicContact CD2-CG 4.19Å; L217-E219 HydrophobicContact CG-CG 4.07Å
218	V	98.5	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.7	171.8	-177.6	0	0	0	0	107.8	M58 R59 I60 S171 F172 Y174 V207 F220	M58-V218 HydrophobicContact CG-CG1 3.85Å; M58-V218 HydrophobicContact SD-CG1 4.05Å; R59-V218 CarbonylContact O-C 3.56Å; R59-V218 WeakPolarHBondContact O-CA 3.38Å; I60-V218 HydrophobicContact CD1-CG2 4.4Å; I60-V218 HydrophobicContact CG1-CG1 4.28Å; I60-V218 HydrophobicContact CG1-CG2 4.14Å; I60-V218 HydrophobicContact CG2-CG2 4.07Å; S171-V218 CarbonylContact C-O 3.59Å; S171-V218 WeakPolarHBondContact CA-O 3.4Å; S171-V218 WeakPolarHBondContact CB-O 3.45Å; F172-V218 HydrophobicContact CB-CB 4.23Å; F172-V218 PolarHBondContact N-O 3.32Å; F172-V218 PolarHBondContact O-N 2.75Å; Y174-V218 HydrophobicContact CE2-CG2 3.75Å; V207-V218 HydrophobicContact CG1-CG2 3.82Å; V207-V218 HydrophobicContact CG2-CB 4.48Å; V207-V218 HydrophobicContact CG2-CG1 3.91Å; V207-V218 HydrophobicContact CG2-CG2 4.13Å; V218-F220 HydrophobicContact CG1-CD2 4.29Å; V218-F220 HydrophobicContact CG1-CE1 4.4Å; V218-F220 HydrophobicContact CG1-CE2 3.61Å; V218-F220 HydrophobicContact CG1-CZ 3.69Å
219	E	98	Very high	93.7	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	175.5	-58.9	-172	117	0	0	109.9	M58 R59 K169 L170 L217	M58-E219 WeakPolarHBondContact CA-O 3.37Å; R59-E219 PolarHBondContact N-O 3.39Å; R59-E219 IonicContact NH1-OE2 3.89Å; R59-E219 PolarHBondContact NH1-OE2 3.43Å; R59-E219 PolarHBondContact O-N 2.95Å; K169-E219 HydrophobicContact CD-CB 4.38Å; K169-E219 WeakPolarHBondContact CE-OE1 3.37Å; K169-E219 IonicContact NZ-OE1 3.86Å; K169-E219 PolarHBondContact NZ-OE1 3.24Å; L170-E219 CarbonylContact O-C 3.54Å; L170-E219 WeakPolarHBondContact O-CA 3.17Å; L217-E219 HydrophobicContact CD2-CG 4.19Å; L217-E219 HydrophobicContact CG-CG 4.07Å
220	F	98	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.1	169.7	-54.4	-89.9	0	0	0	109	Y56 S57 M58 K169 L170 F172 I190 I205 V207 V218	Y56-F220 HydrophobicContact CD1-CB 4.09Å; S57-F220 VanDerWaalsContact O-CA 3.28Å; S57-F220 WeakPolarHBondContact O-CA 3.35Å; M58-F220 HydrophobicContact CB-CD1 4.03Å; M58-F220 HydrophobicContact CB-CE1 4.06Å; M58-F220 HydrophobicContact CG-CD1 4.12Å; M58-F220 HydrophobicContact CG-CE1 3.78Å; M58-F220 HydrophobicContact CG-CZ 4.35Å; M58-F220 HydrophobicContact SD-CE1 3.67Å; M58-F220 HydrophobicContact SD-CZ 4.04Å; K169-F220 WeakPolarHBondContact CA-O 3.36Å; K169-F220 WeakPolarHBondContact CG-O 3.07Å; L170-F220 HydrophobicContact CB-CB 4.23Å; L170-F220 HydrophobicContact CB-CD2 4.2Å; L170-F220 PolarHBondContact N-O 3.1Å; L170-F220 PolarHBondContact O-N 3.08Å; F172-F220 AromaticContact CD2-CE2 3.74Å; F172-F220 HydrophobicContact CD2-CE2 3.74Å; F172-F220 HydrophobicContact CD2-CZ 4.36Å; F172-F220 AromaticContact CE2-CE2 3.5Å; F172-F220 HydrophobicContact CE2-CE2 3.5Å; F172-F220 HydrophobicContact CE2-CZ 4.03Å; F172-F220 HydrophobicContact CG-CE2 4.44Å; F172-F220 HydrophobicContact CZ-CE2 4.03Å; I190-F220 HydrophobicContact CD1-CB 4.29Å; I190-F220 HydrophobicContact CD1-CD1 3.93Å; I190-F220 HydrophobicContact CD1-CE1 4.47Å; I190-F220 HydrophobicContact CD1-CG 4.09Å; I190-F220 HydrophobicContact CG1-CD1 4.35Å; I190-F220 HydrophobicContact CG1-CE1 4.41Å; I190-F220 HydrophobicContact CG2-CD2 4.04Å; I190-F220 HydrophobicContact CG2-CE1 4.43Å; I190-F220 HydrophobicContact CG2-CE2 3.94Å; I190-F220 HydrophobicContact CG2-CG 4.33Å; I190-F220 HydrophobicContact CG2-CZ 4.13Å; I205-F220 HydrophobicContact CB-CE1 4.15Å; I205-F220 HydrophobicContact CD1-CD1 4.46Å; I205-F220 HydrophobicContact CG2-CD1 4.36Å; I205-F220 HydrophobicContact CG2-CE1 3.69Å; V207-F220 HydrophobicContact CG2-CZ 3.88Å; V218-F220 HydrophobicContact CG1-CD2 4.29Å; V218-F220 HydrophobicContact CG1-CE1 4.4Å; V218-F220 HydrophobicContact CG1-CE2 3.61Å; V218-F220 HydrophobicContact CG1-CZ 3.69Å
221	E	95.4	Very high	93.7	Very high	26 Å²	26	42.3 Å²	42.3	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138	179.6	-164.5	-179.3	166.8	0	0	110.1	Y56 S57 I223 K267	Y56-E221 CarbonylContact C-O 3.59Å; Y56-E221 WeakPolarHBondContact CA-O 3.49Å; S57-E221 PolarHBondContact N-O 3.5Å; S57-E221 PolarHBondContact O-N 3.19Å; E221-I223 PolarHBondContact O-N 2.82Å; E221-K267 VanDerWaalsContact CD-NZ 3.32Å; E221-K267 WeakPolarHBondContact OE1-CE 3.3Å; E221-K267 IonicContact OE1-NZ 3.96Å; E221-K267 PolarHBondContact OE1-NZ 3.18Å; E221-K267 WeakPolarHBondContact OE2-CE 3.02Å; E221-K267 IonicContact OE2-NZ 3.01Å
222	V	93.6	Very high	93.6	Very high	47 Å²	47	44.6 Å²	44.6	29%	0.285	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.2	179.3	177.6	0	0	0	0	109.7	Y55 Y56	Y55-V222 HydrophobicContact CD1-CG1 4.13Å; Y55-V222 HydrophobicContact CE1-CG1 3.63Å; Y55-V222 HydrophobicContact CE1-CG2 4.31Å; Y56-V222 HydrophobicContact CD1-CG2 4.12Å; Y56-V222 HydrophobicContact CE1-CG2 3.54Å
223	I	91.8	Very high	93.6	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-85.9	116.6	168.4	-61.5	171.8	0	0	0	107.2	L52 Y55 Y56 E221 I256	L52-I223 HydrophobicContact CB-CD1 4.45Å; L52-I223 HydrophobicContact CD2-CD1 3.93Å; Y55-I223 PolarHBondContact O-N 3.13Å; Y56-I223 VanDerWaalsContact C-CD1 3.44Å; Y56-I223 WeakPolarHBondContact O-CD1 3.05Å; E221-I223 PolarHBondContact O-N 2.82Å; I223-I256 HydrophobicContact CG2-CG2 4.21Å
224	G	88.8	Confident	93.6	Very high	15 Å²	15	49.2 Å²	49.2	16%	0.155	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.2	155.7	177.8	0	0	0	0	0	113.3	E257	G224-E257 VanDerWaalsContact CA-CD 3.41Å; G224-E257 WeakPolarHBondContact CA-OE1 3.25Å
225	E	86.3	Confident	93.7	Very high	127 Å²	127	49.1 Å²	49.1	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-89.7	-18.9	-170.1	-64.7	176.6	-177.4	0	0	113.4	S228 E257	E225-S228 VanDerWaalsContact CA-OG 3.32Å; E225-S228 WeakPolarHBondContact CA-OG 3.03Å; E225-S228 PolarHBondContact O-N 3.23Å; E225-S228 PolarHBondContact O-OG 3.31Å; E225-E257 PolarHBondContact N-OE1 2.79Å; E225-E257 VanDerWaalsContact N-OE1 3.1Å
226	I	88.3	Confident	93.6	Very high	88 Å²	88	48.7 Å²	48.7	45%	0.451	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-48.6	-173.6	-58.5	172.8	0	0	0	110.1	Q229 Y230 T244 E257	I226-Q229 VanDerWaalsContact O-CG 3.31Å; I226-Q229 WeakPolarHBondContact O-CG 3.48Å; I226-Q229 PolarHBondContact O-NE2 2.88Å; I226-Y230 WeakPolarHBondContact O-CE2 3.19Å; I226-T244 HydrophobicContact CB-CG2 4.3Å; I226-T244 HydrophobicContact CD1-CG2 4.44Å; I226-T244 HydrophobicContact CG2-CG2 4.08Å; I226-E257 WeakPolarHBondContact CA-OE1 3.36Å; I226-E257 VanDerWaalsContact CB-OE1 3.25Å; I226-E257 WeakPolarHBondContact CB-OE1 3.29Å; I226-E257 PolarHBondContact N-OE1 2.92Å
227	C	93.1	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-77.6	-26.9	179.7	-63.2	0	0	0	0	111.7	Q229 Y230 C246 C255 E257	C227-Q229 PolarHBondContact O-N 2.67Å; C227-Y230 VanDerWaalsContact O-CD2 3.29Å; C227-Y230 WeakPolarHBondContact O-CD2 3.38Å; C227-Y230 PolarHBondContact O-N 3.11Å; C227-Y230 VanDerWaalsContact O-N 3.1Å; C227-C246 HydrophobicContact CB-CB 3.87Å; C227-C246 WeakPolarHBondContact CB-SG 3.34Å; C227-C246 WeakPolarHBondContact SG-CA 3.08Å; C227-C246 WeakPolarHBondContact SG-CB 3.44Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.88Å; C227-C255 VanDerWaalsContact O-CB 3.22Å; C227-C255 WeakPolarHBondContact O-CB 3.49Å; C227-C255 PolarHBondContact O-SG 2.86Å; C227-C255 VanDerWaalsContact O-SG 3.37Å; C227-E257 HydrophobicContact CB-CG 3.76Å; C227-E257 WeakPolarHBondContact SG-CG 3.45Å
228	S	89.5	Confident	93.2	Very high	51 Å²	51	59.1 Å²	59.1	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-14.1	-173.8	63.9	0	0	0	0	115	E225 Y230 C255	E225-S228 VanDerWaalsContact CA-OG 3.32Å; E225-S228 WeakPolarHBondContact CA-OG 3.03Å; E225-S228 PolarHBondContact O-N 3.23Å; E225-S228 PolarHBondContact O-OG 3.31Å; S228-Y230 VanDerWaalsContact C-N 3.3Å; S228-C255 WeakPolarHBondContact CA-O 3.4Å
229	Q	88.6	Confident	93	Very high	130 Å²	130	59.8 Å²	59.8	61%	0.607	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.1	175.8	72.8	-170.2	-25.4	0	0	113.7	I226 C227	I226-Q229 VanDerWaalsContact O-CG 3.31Å; I226-Q229 WeakPolarHBondContact O-CG 3.48Å; I226-Q229 PolarHBondContact O-NE2 2.88Å; C227-Q229 PolarHBondContact O-N 2.67Å
230	Y	92.7	Very high	92.7	Very high	71 Å²	71	61.8 Å²	61.8	28%	0.278	33%	0.327	S	S	.	.			trans	-89.2	124.2	-179.2	-55.8	-73.3	0	0	0	110.5	I226 C227 S228 A239 C255	I226-Y230 WeakPolarHBondContact O-CE2 3.19Å; C227-Y230 VanDerWaalsContact O-CD2 3.29Å; C227-Y230 WeakPolarHBondContact O-CD2 3.38Å; C227-Y230 PolarHBondContact O-N 3.11Å; C227-Y230 VanDerWaalsContact O-N 3.1Å; S228-Y230 VanDerWaalsContact C-N 3.3Å; Y230-A239 HydrophobicContact CD1-CB 4.32Å; Y230-A239 HydrophobicContact CD2-CB 3.51Å; Y230-A239 HydrophobicContact CE1-CB 3.94Å; Y230-A239 HydrophobicContact CE2-CB 3.1Å; Y230-A239 HydrophobicContact CG-CB 4.12Å; Y230-C255 WeakPolarHBondContact O-CB 3.28Å
231	N	92.9	Very high	92.4	Very high	130 Å²	130	65.7 Å²	65.7	70%	0.695	35%	0.351	S	S	*	.			trans	-107.8	6	-170.9	66.5	-10.6	0	0	0	113.9	W248	N231-W248 VanDerWaalsContact C-CH2 3.5Å; N231-W248 VanDerWaalsContact O-CH2 3.32Å; N231-W248 WeakPolarHBondContact O-CH2 3.36Å
232	T	94	Very high	92	Very high	57 Å²	57	70.4 Å²	70.4	35%	0.35	39%	0.387	S	S	.	.	S	Bend	trans	-131.4	152.4	173.2	70.5	0	0	0	0	110.8	E234 T235 C236	T232-E234 VanDerWaalsContact C-N 3.29Å; T232-E234 PolarHBondContact O-N 2.02Å; T232-T235 PolarHBondContact N-OG1 2.91Å; T232-T235 PolarHBondContact O-N 3.48Å; T232-T235 PolarHBondContact O-OG1 3.32Å; T232-T235 VanDerWaalsContact O-OG1 3.08Å; T232-T235 WeakPolarHBondContact OG1-CB 3.24Å; T232-T235 VanDerWaalsContact OG1-CG2 3.29Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.16Å; T232-T235 PolarHBondContact OG1-N 3.43Å; T232-T235 PolarHBondContact OG1-OG1 3.34Å; T232-C236 WeakPolarHBondContact O-CB 3.47Å; T232-C236 PolarHBondContact O-N 3.21Å
233	S	94.1	Very high	91.8	Very high	30 Å²	30	74.9 Å²	74.9	21%	0.21	41%	0.408	C	S	.	.	H	α-helix	trans	-54.4	-45.5	176.8	-171.1	0	0	0	0	112.2	C236 Q237 W248	S233-C236 PolarHBondContact O-N 2.95Å; S233-Q237 WeakPolarHBondContact O-CB 3.11Å; S233-Q237 VanDerWaalsContact O-CG 3.27Å; S233-Q237 WeakPolarHBondContact O-CG 3.1Å; S233-Q237 PolarHBondContact O-N 2.8Å; S233-Q237 PolarHBondContact OG-NE2 2.94Å; S233-W248 VanDerWaalsContact CA-CD2 3.47Å; S233-W248 VanDerWaalsContact CB-CD1 3.46Å
234	E	94.7	Very high	91.8	Very high	139 Å²	139	74.8 Å²	74.8	65%	0.65	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-49.8	179.5	-176.7	-179.6	-175.2	0	0	112.2	T232 C236 Q237 N238	T232-E234 VanDerWaalsContact C-N 3.29Å; T232-E234 PolarHBondContact O-N 2.02Å; E234-C236 VanDerWaalsContact C-N 3.31Å; E234-C236 PolarHBondContact O-N 3.49Å; E234-Q237 PolarHBondContact O-N 2.8Å; E234-N238 WeakPolarHBondContact O-CB 3.46Å; E234-N238 VanDerWaalsContact O-CG 3.22Å; E234-N238 PolarHBondContact O-N 2.81Å; E234-N238 PolarHBondContact O-ND2 2.79Å
235	T	96.2	Very high	92.1	Very high	55 Å²	55	76.1 Å²	76.1	34%	0.337	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-36.4	-179.9	56.5	0	0	0	0	111.9	T232 A239	T232-T235 PolarHBondContact N-OG1 2.91Å; T232-T235 PolarHBondContact O-N 3.48Å; T232-T235 PolarHBondContact O-OG1 3.32Å; T232-T235 VanDerWaalsContact O-OG1 3.08Å; T232-T235 WeakPolarHBondContact OG1-CB 3.24Å; T232-T235 VanDerWaalsContact OG1-CG2 3.29Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.16Å; T232-T235 PolarHBondContact OG1-N 3.43Å; T232-T235 PolarHBondContact OG1-OG1 3.34Å; T235-A239 WeakPolarHBondContact O-CB 3.42Å; T235-A239 PolarHBondContact O-N 2.99Å; T235-A239 VanDerWaalsContact O-N 3.13Å
236	C	95.7	Very high	92.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-49.5	175.1	178.6	0	0	0	0	112.3	T232 S233 E234 A239 C246 I247 W248 C255	T232-C236 WeakPolarHBondContact O-CB 3.47Å; T232-C236 PolarHBondContact O-N 3.21Å; S233-C236 PolarHBondContact O-N 2.95Å; E234-C236 VanDerWaalsContact C-N 3.31Å; E234-C236 PolarHBondContact O-N 3.49Å; C236-A239 WeakPolarHBondContact O-CB 3.38Å; C236-A239 PolarHBondContact O-N 2.83Å; C236-C246 WeakPolarHBondContact O-CB 3.48Å; C236-I247 PolarHBondContact SG-O 2.95Å; C236-W248 HydrophobicContact CB-CB 4.34Å; C236-W248 HydrophobicContact CB-CE3 3.71Å; C236-W248 HydrophobicContact CB-CZ3 4.45Å; C236-W248 PolarHBondContact SG-N 2.79Å; C236-C255 WeakPolarHBondContact CA-SG 3.44Å; C236-C255 HydrophobicContact CB-CB 3.6Å; C236-C255 WeakPolarHBondContact CB-SG 3.46Å; C236-C255 VanDerWaalsContact SG-CA 3.59Å; C236-C255 WeakPolarHBondContact SG-CB 3.37Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.2Å
237	Q	92.2	Very high	92.8	Very high	116 Å²	116	67 Å²	67	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-42.5	-179.7	-71.1	175.1	11.5	0	0	111.4	S233 E234 A239 T240	S233-Q237 WeakPolarHBondContact O-CB 3.11Å; S233-Q237 VanDerWaalsContact O-CG 3.27Å; S233-Q237 WeakPolarHBondContact O-CG 3.1Å; S233-Q237 PolarHBondContact O-N 2.8Å; S233-Q237 PolarHBondContact OG-NE2 2.94Å; E234-Q237 PolarHBondContact O-N 2.8Å; Q237-A239 PolarHBondContact O-N 3.01Å; Q237-T240 PolarHBondContact O-N 2.88Å; Q237-T240 PolarHBondContact O-OG1 3.18Å
238	N	94.7	Very high	92.9	Very high	122 Å²	122	68.7 Å²	68.7	65%	0.652	38%	0.376	S	S	*	.	H	α-helix	trans	-68.2	-16.9	178.7	-70.7	-21.6	0	0	0	113.9	E234 T240	E234-N238 WeakPolarHBondContact O-CB 3.46Å; E234-N238 VanDerWaalsContact O-CG 3.22Å; E234-N238 PolarHBondContact O-N 2.81Å; E234-N238 PolarHBondContact O-ND2 2.79Å; N238-T240 VanDerWaalsContact C-N 3.25Å; N238-T240 PolarHBondContact O-N 3.42Å
239	A	93.5	Very high	93.1	Very high	15 Å²	15	66.2 Å²	66.2	12%	0.124	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8	177.4	0	0	0	0	0	114.2	Y230 T235 C236 Q237 T241	Y230-A239 HydrophobicContact CD1-CB 4.32Å; Y230-A239 HydrophobicContact CD2-CB 3.51Å; Y230-A239 HydrophobicContact CE1-CB 3.94Å; Y230-A239 HydrophobicContact CE2-CB 3.1Å; Y230-A239 HydrophobicContact CG-CB 4.12Å; T235-A239 WeakPolarHBondContact O-CB 3.42Å; T235-A239 PolarHBondContact O-N 2.99Å; T235-A239 VanDerWaalsContact O-N 3.13Å; C236-A239 WeakPolarHBondContact O-CB 3.38Å; C236-A239 PolarHBondContact O-N 2.83Å; Q237-A239 PolarHBondContact O-N 3.01Å; A239-T241 PolarHBondContact O-N 2.92Å
240	T	92.8	Very high	93.3	Very high	63 Å²	63	66.2 Å²	66.2	39%	0.387	36%	0.36	S	S	.	.			trans	-63.8	128.7	177.8	-66	0	0	0	0	110.8	Q237 N238 T244 T245 C246	Q237-T240 PolarHBondContact O-N 2.88Å; Q237-T240 PolarHBondContact O-OG1 3.18Å; N238-T240 VanDerWaalsContact C-N 3.25Å; N238-T240 PolarHBondContact O-N 3.42Å; T240-T244 CarbonylContact C-O 3.5Å; T240-T244 WeakPolarHBondContact CA-O 3.37Å; T240-T245 HydrophobicContact CG2-CG2 4.23Å; T240-C246 PolarHBondContact OG1-N 2.93Å; T240-C246 VanDerWaalsContact OG1-N 3.13Å
241	T	91.5	Very high	93.1	Very high	82 Å²	82	68.8 Å²	68.8	50%	0.503	37%	0.372	S	S	.	.			trans	-122	-176.6	177.8	65.4	0	0	0	0	110.5	A239 I243 T244	A239-T241 PolarHBondContact O-N 2.92Å; T241-I243 PolarHBondContact O-N 2.84Å; T241-I243 PolarHBondContact OG1-N 3.19Å; T241-T244 PolarHBondContact N-O 3.2Å; T241-T244 PolarHBondContact OG1-N 3.02Å; T241-T244 VanDerWaalsContact OG1-N 3.08Å; T241-T244 PolarHBondContact OG1-O 2.84Å
242	S	87.3	Confident	92.9	Very high	126 Å²	126	63 Å²	63	88%	0.881	34%	0.342	S	S	*	.	S	Bend	trans	-68.2	-16.6	174.3	53.8	0	0	0	0	114.4
243	I	88.7	Confident	92.8	Very high	141 Å²	141	67.8 Å²	67.8	72%	0.723	36%	0.361	S	S	*	.	S	Bend	trans	-111.9	-30.8	-176.1	-56.2	172.8	0	0	0	111.1	T241	T241-I243 PolarHBondContact O-N 2.84Å; T241-I243 PolarHBondContact OG1-N 3.19Å
244	T	92.7	Very high	92.7	Very high	13 Å²	13	68.9 Å²	68.9	8%	0.08	36%	0.362	C	S	.	.			trans	-125.3	125.1	-175	-56.3	0	0	0	0	110.2	I226 T240 T241 E257 N259	I226-T244 HydrophobicContact CB-CG2 4.3Å; I226-T244 HydrophobicContact CD1-CG2 4.44Å; I226-T244 HydrophobicContact CG2-CG2 4.08Å; T240-T244 CarbonylContact C-O 3.5Å; T240-T244 WeakPolarHBondContact CA-O 3.37Å; T241-T244 PolarHBondContact N-O 3.2Å; T241-T244 PolarHBondContact OG1-N 3.02Å; T241-T244 VanDerWaalsContact OG1-N 3.08Å; T241-T244 PolarHBondContact OG1-O 2.84Å; T244-E257 HydrophobicContact CG2-CG 4.16Å; T244-N259 VanDerWaalsContact CA-OD1 3.28Å; T244-N259 WeakPolarHBondContact CA-OD1 3.22Å
245	T	94.6	Very high	92.7	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.264	33%	0.331	S	S	.	.			trans	-108.2	126.5	175.4	-54.7	0	0	0	0	109.7	T240 E257 S258 N259	T240-T245 HydrophobicContact CG2-CG2 4.23Å; T245-E257 CarbonylContact O-C 3.59Å; T245-E257 WeakPolarHBondContact O-CA 3.36Å; T245-S258 PolarHBondContact O-N 3.13Å; T245-N259 PolarHBondContact N-OD1 3.35Å
246	C	95.1	Very high	92.6	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	-179	-62.7	0	0	0	0	111.2	C227 C236 T240 I256	C227-C246 HydrophobicContact CB-CB 3.87Å; C227-C246 WeakPolarHBondContact CB-SG 3.34Å; C227-C246 WeakPolarHBondContact SG-CA 3.08Å; C227-C246 WeakPolarHBondContact SG-CB 3.44Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.88Å; C236-C246 WeakPolarHBondContact O-CB 3.48Å; T240-C246 PolarHBondContact OG1-N 2.93Å; T240-C246 VanDerWaalsContact OG1-N 3.13Å; C246-I256 WeakPolarHBondContact CA-O 3.36Å
247	I	94.5	Very high	92.5	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.5	175.6	-61.2	174.3	0	0	0	109	C236 C255 I256 S258 K267 V268 C271	C236-I247 PolarHBondContact SG-O 2.95Å; I247-C255 WeakPolarHBondContact O-CA 3.48Å; I247-I256 HydrophobicContact CB-CG1 4.24Å; I247-I256 PolarHBondContact N-O 2.94Å; I247-I256 PolarHBondContact O-N 3.47Å; I247-S258 VanDerWaalsContact CD1-OG 3.24Å; I247-S258 WeakPolarHBondContact CD1-OG 3.47Å; I247-K267 HydrophobicContact CD1-CB 4.02Å; I247-V268 HydrophobicContact CD1-CB 4.3Å; I247-V268 HydrophobicContact CD1-CG2 3.38Å; I247-V268 HydrophobicContact CG1-CG2 4.16Å; I247-C271 HydrophobicContact CG2-CB 4.15Å
248	W	94.5	Very high	92.6	Very high	34 Å²	34	55.6 Å²	55.6	13%	0.129	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.4	171.6	-175.2	-108.9	0	0	0	111.3	N231 S233 C236 E253 C255	N231-W248 VanDerWaalsContact C-CH2 3.5Å; N231-W248 VanDerWaalsContact O-CH2 3.32Å; N231-W248 WeakPolarHBondContact O-CH2 3.36Å; S233-W248 VanDerWaalsContact CA-CD2 3.47Å; S233-W248 VanDerWaalsContact CB-CD1 3.46Å; C236-W248 HydrophobicContact CB-CB 4.34Å; C236-W248 HydrophobicContact CB-CE3 3.71Å; C236-W248 HydrophobicContact CB-CZ3 4.45Å; C236-W248 PolarHBondContact SG-N 2.79Å; W248-E253 VanDerWaalsContact CH2-C 3.43Å; W248-E253 WeakPolarHBondContact CH2-O 3.05Å; W248-E253 HydrophobicContact CZ2-CB 4.4Å; W248-C255 HydrophobicContact CE3-CB 3.95Å; W248-C255 HydrophobicContact CZ3-CB 4.16Å
249	C	94	Very high	92.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	97.5	174	-50.5	0	0	0	0	109	K251 G252 E253 K254 I256 C271	C249-K251 PolarHBondContact O-N 2.9Å; C249-G252 CarbonylContact O-C 3.58Å; C249-G252 WeakPolarHBondContact O-CA 3.34Å; C249-G252 PolarHBondContact O-N 2.91Å; C249-E253 PolarHBondContact O-N 2.54Å; C249-K254 WeakPolarHBondContact CB-O 3.43Å; C249-K254 PolarHBondContact N-O 3.45Å; C249-K254 PolarHBondContact O-N 3.2Å; C249-I256 VanDerWaalsContact SG-CD1 3.59Å; C249-C271 HydrophobicContact CB-CB 3.62Å; C249-C271 WeakPolarHBondContact CB-SG 3.44Å; C249-C271 WeakPolarHBondContact SG-CB 3.42Å; C249-C271 CovalentContact SG-SG 2.03Å; C249-C271 PolarHBondContact SG-SG 2.87Å
250	E	92.1	Very high	91.9	Very high	130 Å²	130	54.8 Å²	54.8	61%	0.607	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-48.3	-57.3	-175.2	-73.6	-82.7	147.4	0	0	112.7	G252 E253	E250-G252 PolarHBondContact O-N 3.34Å; E250-E253 PolarHBondContact O-N 3.41Å; E250-E253 VanDerWaalsContact O-N 3.13Å
251	K	90.3	Very high	91.6	Very high	125 Å²	125	56.7 Å²	56.7	54%	0.543	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-67.2	-26.2	179.6	-166.3	-172	178.2	-162.9	0	112.9	V41 I42 C249 E253	V41-K251 WeakPolarHBondContact O-CE 3.09Å; V41-K251 PolarHBondContact O-NZ 3.37Å; I42-K251 HydrophobicContact CG2-CB 4.5Å; I42-K251 WeakPolarHBondContact O-CD 3.41Å; I42-K251 PolarHBondContact O-NZ 3.22Å; C249-K251 PolarHBondContact O-N 2.9Å; K251-E253 VanDerWaalsContact C-N 3.32Å
252	G	87.9	Confident	91.3	Very high	7 Å²	7	60 Å²	60	7%	0.072	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-78.6	-19.8	177.2	0	0	0	0	0	113.4	N40 C249 E250 K254	N40-G252 WeakPolarHBondContact ND2-CA 3.24Å; C249-G252 CarbonylContact O-C 3.58Å; C249-G252 WeakPolarHBondContact O-CA 3.34Å; C249-G252 PolarHBondContact O-N 2.91Å; E250-G252 PolarHBondContact O-N 3.34Å; G252-K254 PolarHBondContact O-N 3.19Å
253	E	91.7	Very high	91.3	Very high	159 Å²	159	55.2 Å²	55.2	74%	0.743	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	38.8	-164.1	-61.7	-176.3	171.4	0	0	112.2	W248 C249 E250 K251	W248-E253 VanDerWaalsContact CH2-C 3.43Å; W248-E253 WeakPolarHBondContact CH2-O 3.05Å; W248-E253 HydrophobicContact CZ2-CB 4.4Å; C249-E253 PolarHBondContact O-N 2.54Å; E250-E253 PolarHBondContact O-N 3.41Å; E250-E253 VanDerWaalsContact O-N 3.13Å; K251-E253 VanDerWaalsContact C-N 3.32Å
254	K	92.2	Very high	91.3	Very high	52 Å²	52	51 Å²	51	23%	0.226	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.8	-171.1	-165.6	165.9	-174.6	175.8	0	111.5	L52 C249 G252 I256	L52-K254 HydrophobicContact CD1-CB 4.23Å; L52-K254 HydrophobicContact CD1-CD 4.25Å; C249-K254 WeakPolarHBondContact CB-O 3.43Å; C249-K254 PolarHBondContact N-O 3.45Å; C249-K254 PolarHBondContact O-N 3.2Å; G252-K254 PolarHBondContact O-N 3.19Å; K254-I256 HydrophobicContact CG-CG2 4.47Å
255	C	94.5	Very high	91.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.8	171.8	-169.6	0	0	0	0	110.1	C227 S228 Y230 C236 I247 W248	C227-C255 VanDerWaalsContact O-CB 3.22Å; C227-C255 WeakPolarHBondContact O-CB 3.49Å; C227-C255 PolarHBondContact O-SG 2.86Å; C227-C255 VanDerWaalsContact O-SG 3.37Å; S228-C255 WeakPolarHBondContact CA-O 3.4Å; Y230-C255 WeakPolarHBondContact O-CB 3.28Å; C236-C255 WeakPolarHBondContact CA-SG 3.44Å; C236-C255 HydrophobicContact CB-CB 3.6Å; C236-C255 WeakPolarHBondContact CB-SG 3.46Å; C236-C255 VanDerWaalsContact SG-CA 3.59Å; C236-C255 WeakPolarHBondContact SG-CB 3.37Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.2Å; I247-C255 WeakPolarHBondContact O-CA 3.48Å; W248-C255 HydrophobicContact CE3-CB 3.95Å; W248-C255 HydrophobicContact CZ3-CB 4.16Å
256	I	94.4	Very high	91	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.1	-178.7	66.8	170.6	0	0	0	111.8	L52 I223 C246 I247 C249 K254	L52-I256 HydrophobicContact CD1-CG2 4.5Å; L52-I256 HydrophobicContact CD2-CG2 4.46Å; I223-I256 HydrophobicContact CG2-CG2 4.21Å; C246-I256 WeakPolarHBondContact CA-O 3.36Å; I247-I256 HydrophobicContact CB-CG1 4.24Å; I247-I256 PolarHBondContact N-O 2.94Å; I247-I256 PolarHBondContact O-N 3.47Å; C249-I256 VanDerWaalsContact SG-CD1 3.59Å; K254-I256 HydrophobicContact CG-CG2 4.47Å
257	E	94.4	Very high	90.8	Very high	27 Å²	27	56.9 Å²	56.9	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.6	174.7	-73.8	178	-145.4	0	0	112.6	G224 E225 I226 C227 T244 T245 N259 K267	G224-E257 VanDerWaalsContact CA-CD 3.41Å; G224-E257 WeakPolarHBondContact CA-OE1 3.25Å; E225-E257 PolarHBondContact N-OE1 2.79Å; E225-E257 VanDerWaalsContact N-OE1 3.1Å; I226-E257 WeakPolarHBondContact CA-OE1 3.36Å; I226-E257 VanDerWaalsContact CB-OE1 3.25Å; I226-E257 WeakPolarHBondContact CB-OE1 3.29Å; I226-E257 PolarHBondContact N-OE1 2.92Å; C227-E257 HydrophobicContact CB-CG 3.76Å; C227-E257 WeakPolarHBondContact SG-CG 3.45Å; T244-E257 HydrophobicContact CG2-CG 4.16Å; T245-E257 CarbonylContact O-C 3.59Å; T245-E257 WeakPolarHBondContact O-CA 3.36Å; E257-N259 PolarHBondContact OE2-ND2 2.9Å; E257-K267 PolarHBondContact O-NZ 2.81Å; E257-K267 VanDerWaalsContact O-NZ 3.11Å
258	S	92.7	Very high	90.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	29%	0.288	C	S	.	.			trans	-138.5	51.2	-179.4	-162.3	0	0	0	0	111.6	T245 I247 N260 H264	T245-S258 PolarHBondContact O-N 3.13Å; I247-S258 VanDerWaalsContact CD1-OG 3.24Å; I247-S258 WeakPolarHBondContact CD1-OG 3.47Å; S258-N260 VanDerWaalsContact C-N 3.35Å; S258-H264 PolarHBondContact O-ND1 3.33Å; S258-H264 WeakPolarHBondContact OG-CA 3.49Å; S258-H264 PolarHBondContact OG-ND1 2.66Å
259	N	88.7	Confident	90.4	Very high	69 Å²	69	60 Å²	60	37%	0.369	31%	0.308	S	S	.	.			trans	-77	-18.9	-172.4	-53.1	-30.2	0	0	0	113.5	T244 T245 E257 P261	T244-N259 VanDerWaalsContact CA-OD1 3.28Å; T244-N259 WeakPolarHBondContact CA-OD1 3.22Å; T245-N259 PolarHBondContact N-OD1 3.35Å; E257-N259 PolarHBondContact OE2-ND2 2.9Å; N259-P261 VanDerWaalsContact O-CD 3.32Å; N259-P261 WeakPolarHBondContact O-CD 3.23Å
260	N	86.1	Confident	90.2	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	31%	0.309	S	S	.	.			trans	-86.2	112.2	178.8	177.2	3.8	0	0	0	110	S258 D262 T263 H264	S258-N260 VanDerWaalsContact C-N 3.35Å; N260-D262 VanDerWaalsContact C-N 3.26Å; N260-D262 PolarHBondContact O-N 3.47Å; N260-D262 PolarHBondContact OD1-N 2.83Å; N260-D262 VanDerWaalsContact OD1-N 3.09Å; N260-T263 WeakPolarHBondContact CB-OG1 3.23Å; N260-T263 PolarHBondContact O-N 3.05Å; N260-T263 VanDerWaalsContact O-N 3.14Å; N260-T263 PolarHBondContact O-OG1 3.32Å; N260-H264 PolarHBondContact O-N 3.33Å
261	P	85.4	Confident	90	Very high	103 Å²	103	54.2 Å²	54.2	67%	0.669	28%	0.282	S	S	*	.	H	α-helix	trans	-56.3	-38.8	-178.1	-23.9	34.9	0	0	0	113.1	N259 T263 H264	N259-P261 VanDerWaalsContact O-CD 3.32Å; N259-P261 WeakPolarHBondContact O-CD 3.23Å; P261-T263 PolarHBondContact O-N 3.44Å; P261-H264 WeakPolarHBondContact O-CB 3.31Å; P261-H264 PolarHBondContact O-N 3.19Å
262	D	85.5	Confident	89.7	Confident	150 Å²	150	56.8 Å²	56.8	80%	0.802	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-23.4	-175.9	-60.3	-26.7	0	0	0	112.8	N260	N260-D262 VanDerWaalsContact C-N 3.26Å; N260-D262 PolarHBondContact O-N 3.47Å; N260-D262 PolarHBondContact OD1-N 2.83Å; N260-D262 VanDerWaalsContact OD1-N 3.09Å
263	T	87.1	Confident	88.6	Confident	27 Å²	27	59.6 Å²	59.6	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-111.5	0.4	-179.7	59.9	0	0	0	0	112.8	N260 P261 L266 K267	N260-T263 WeakPolarHBondContact CB-OG1 3.23Å; N260-T263 PolarHBondContact O-N 3.05Å; N260-T263 VanDerWaalsContact O-N 3.14Å; N260-T263 PolarHBondContact O-OG1 3.32Å; P261-T263 PolarHBondContact O-N 3.44Å; T263-L266 PolarHBondContact O-N 2.72Å; T263-K267 WeakPolarHBondContact O-CG 3.03Å; T263-K267 PolarHBondContact O-N 3.07Å
264	H	89.9	Confident	86.6	Confident	52 Å²	52	60.2 Å²	60.2	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-55.4	-171.8	178	80.4	0	0	0	111.4	S258 N260 P261 L266 K267 V268	S258-H264 PolarHBondContact O-ND1 3.33Å; S258-H264 WeakPolarHBondContact OG-CA 3.49Å; S258-H264 PolarHBondContact OG-ND1 2.66Å; N260-H264 PolarHBondContact O-N 3.33Å; P261-H264 WeakPolarHBondContact O-CB 3.31Å; P261-H264 PolarHBondContact O-N 3.19Å; H264-L266 VanDerWaalsContact C-N 3.26Å; H264-L266 PolarHBondContact O-N 3.27Å; H264-K267 PolarHBondContact O-N 3.46Å; H264-K267 VanDerWaalsContact O-N 3.13Å; H264-V268 WeakPolarHBondContact O-CG2 3.45Å; H264-V268 PolarHBondContact O-N 2.87Å
265	D	90	Very high	84.1	Confident	115 Å²	115	67.1 Å²	67.1	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-62.1	-36	-179.4	-67.6	-22.1	0	0	0	111.9	V268 N269	D265-V268 PolarHBondContact O-N 3.33Å; D265-N269 WeakPolarHBondContact O-CB 3.3Å; D265-N269 VanDerWaalsContact O-CG 3.24Å; D265-N269 PolarHBondContact O-N 2.03Å; D265-N269 PolarHBondContact O-ND2 3.2Å
266	L	89.4	Confident	81.4	Confident	60 Å²	60	76.2 Å²	76.2	31%	0.314	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-47.5	175	-178.3	61.6	0	0	0	111	T263 H264 V268 N269 D270	T263-L266 PolarHBondContact O-N 2.72Å; H264-L266 VanDerWaalsContact C-N 3.26Å; H264-L266 PolarHBondContact O-N 3.27Å; L266-V268 VanDerWaalsContact C-N 3.33Å; L266-V268 PolarHBondContact O-N 2.85Å; L266-N269 PolarHBondContact O-N 3.45Å; L266-D270 WeakPolarHBondContact O-CB 3.42Å; L266-D270 VanDerWaalsContact O-CG 3.29Å; L266-D270 PolarHBondContact O-N 2.63Å
267	K	91.1	Very high	78.6	Confident	13 Å²	13	80 Å²	80	6%	0.057	40%	0.403	C	S	.	.	H	α-helix	trans	-64.7	-36.1	176.2	-74	-175.5	178	-174.1	0	112.8	E221 I247 E257 T263 H264 D270 C271	E221-K267 VanDerWaalsContact CD-NZ 3.32Å; E221-K267 WeakPolarHBondContact OE1-CE 3.3Å; E221-K267 IonicContact OE1-NZ 3.96Å; E221-K267 PolarHBondContact OE1-NZ 3.18Å; E221-K267 WeakPolarHBondContact OE2-CE 3.02Å; E221-K267 IonicContact OE2-NZ 3.01Å; I247-K267 HydrophobicContact CD1-CB 4.02Å; E257-K267 PolarHBondContact O-NZ 2.81Å; E257-K267 VanDerWaalsContact O-NZ 3.11Å; T263-K267 WeakPolarHBondContact O-CG 3.03Å; T263-K267 PolarHBondContact O-N 3.07Å; H264-K267 PolarHBondContact O-N 3.46Å; H264-K267 VanDerWaalsContact O-N 3.13Å; K267-D270 WeakPolarHBondContact O-CB 3.44Å; K267-D270 PolarHBondContact O-N 3.38Å; K267-C271 PolarHBondContact O-N 2.77Å
268	V	90.8	Very high	75.7	Confident	12 Å²	12	86.6 Å²	86.6	7%	0.073	44%	0.439	C	S	.	.	H	α-helix	trans	-59.6	-49.2	172.9	170.9	0	0	0	0	109.7	I247 H264 D265 L266 C271 R272	I247-V268 HydrophobicContact CD1-CB 4.3Å; I247-V268 HydrophobicContact CD1-CG2 3.38Å; I247-V268 HydrophobicContact CG1-CG2 4.16Å; H264-V268 WeakPolarHBondContact O-CG2 3.45Å; H264-V268 PolarHBondContact O-N 2.87Å; D265-V268 PolarHBondContact O-N 3.33Å; L266-V268 VanDerWaalsContact C-N 3.33Å; L266-V268 PolarHBondContact O-N 2.85Å; V268-C271 PolarHBondContact O-N 2.92Å; V268-R272 HydrophobicContact CG1-CG 4.19Å; V268-R272 VanDerWaalsContact CG1-NE 3.35Å; V268-R272 VanDerWaalsContact CG1-NH1 3.32Å; V268-R272 VanDerWaalsContact O-CB 3.31Å; V268-R272 WeakPolarHBondContact O-CB 3.11Å; V268-R272 VanDerWaalsContact O-CG 3.28Å; V268-R272 WeakPolarHBondContact O-CG 3.24Å; V268-R272 PolarHBondContact O-N 2.81Å
269	N	89.3	Confident	73	Confident	103 Å²	103	91.4 Å²	91.4	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-66.4	-37	179.7	-68.2	-27.9	0	0	0	112.6	D265 L266 C271 R272	D265-N269 WeakPolarHBondContact O-CB 3.3Å; D265-N269 VanDerWaalsContact O-CG 3.24Å; D265-N269 PolarHBondContact O-N 2.03Å; D265-N269 PolarHBondContact O-ND2 3.2Å; L266-N269 PolarHBondContact O-N 3.45Å; N269-C271 PolarHBondContact O-N 2.83Å; N269-R272 CarbonylContact O-C 3.43Å; N269-R272 PolarHBondContact O-N 2.8Å
270	D	90	Very high	70.2	Confident	4 Å²	4	95.6 Å²	95.6	2%	0.021	49%	0.491	C	S	.	.	H	α-helix	trans	-56.6	-35.9	173.8	-82.9	-29.8	0	0	0	113.2	I42 Y48 Y50 R59 L266 K267	I42-D270 VanDerWaalsContact CG2-O 3.22Å; I42-D270 WeakPolarHBondContact CG2-O 3.28Å; Y48-D270 VanDerWaalsContact CE1-OD1 3.24Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.31Å; Y48-D270 VanDerWaalsContact OH-CG 3.32Å; Y48-D270 PolarHBondContact OH-OD1 2.88Å; Y48-D270 PolarHBondContact OH-OD2 3.33Å; Y50-D270 HydrophobicContact CD1-CB 3.56Å; Y50-D270 HydrophobicContact CD2-CB 4.18Å; Y50-D270 HydrophobicContact CE1-CB 3.7Å; Y50-D270 HydrophobicContact CE2-CB 4.29Å; Y50-D270 HydrophobicContact CG-CB 3.82Å; R59-D270 IonicContact CZ-OD2 2.74Å; R59-D270 VanDerWaalsContact CZ-OD2 3.25Å; R59-D270 IonicContact NE-OD1 3.61Å; R59-D270 IonicContact NE-OD2 3.23Å; R59-D270 PolarHBondContact NE-OD2 2.92Å; R59-D270 IonicContact NH2-OD2 3.26Å; R59-D270 PolarHBondContact NH2-OD2 3.43Å; L266-D270 WeakPolarHBondContact O-CB 3.42Å; L266-D270 VanDerWaalsContact O-CG 3.29Å; L266-D270 PolarHBondContact O-N 2.63Å; K267-D270 WeakPolarHBondContact O-CB 3.44Å; K267-D270 PolarHBondContact O-N 3.38Å
271	C	89.5	Confident	67.4	Low	4 Å²	4	99 Å²	99	3%	0.027	51%	0.509	C	S	.	.	H	α-helix	trans	-92.6	-21.9	179.7	-75.3	0	0	0	0	113.6	I247 C249 K267 V268 N269 V273	I247-C271 HydrophobicContact CG2-CB 4.15Å; C249-C271 HydrophobicContact CB-CB 3.62Å; C249-C271 WeakPolarHBondContact CB-SG 3.44Å; C249-C271 WeakPolarHBondContact SG-CB 3.42Å; C249-C271 CovalentContact SG-SG 2.03Å; C249-C271 PolarHBondContact SG-SG 2.87Å; K267-C271 PolarHBondContact O-N 2.77Å; V268-C271 PolarHBondContact O-N 2.92Å; N269-C271 PolarHBondContact O-N 2.83Å; C271-V273 PolarHBondContact O-N 3.38Å
272	R	82.8	Confident	64.8	Low	180 Å²	180	102 Å²	102	68%	0.679	51%	0.511	S	S	*	.			trans	-94.7	80.2	175	-69.7	-177.4	-177.2	164.7	2.6	110.6	V268 N269	V268-R272 HydrophobicContact CG1-CG 4.19Å; V268-R272 VanDerWaalsContact CG1-NE 3.35Å; V268-R272 VanDerWaalsContact CG1-NH1 3.32Å; V268-R272 VanDerWaalsContact O-CB 3.31Å; V268-R272 WeakPolarHBondContact O-CB 3.11Å; V268-R272 VanDerWaalsContact O-CG 3.28Å; V268-R272 WeakPolarHBondContact O-CG 3.24Å; V268-R272 PolarHBondContact O-N 2.81Å; N269-R272 CarbonylContact O-C 3.43Å; N269-R272 PolarHBondContact O-N 2.8Å
273	V	64.7	Low	62.1	Low	65 Å²	65	99.4 Å²	99.4	39%	0.394	51%	0.505	S	S	.	.			trans	-96.8	104.8	158.2	-172.3	0	0	0	0	106.2	F43 C271 K275	F43-V273 HydrophobicContact CB-CG2 3.54Å; F43-V273 HydrophobicContact CD2-CB 4.11Å; F43-V273 HydrophobicContact CD2-CG1 3.67Å; F43-V273 HydrophobicContact CD2-CG2 3.25Å; F43-V273 HydrophobicContact CE2-CG1 3.91Å; F43-V273 HydrophobicContact CE2-CG2 4.1Å; F43-V273 HydrophobicContact CG-CG2 3.54Å; C271-V273 PolarHBondContact O-N 3.38Å; V273-K275 PolarHBondContact O-N 2.95Å; V273-K275 VanDerWaalsContact O-N 3.09Å
274	Q	49.5	Very low	59.3	Low	172 Å²	172	104.4 Å²	104.4	80%	0.804	54%	0.536	S	S	*	.			trans	-48.5	123.9	166	-74.5	176.9	8.1	0	0	106.5	K276	Q274-K276 PolarHBondContact O-N 2.85Å
275	K	40.5	Very low	56.2	Low	197 Å²	197	107.4 Å²	107.4	86%	0.857	56%	0.563	S	S	*	*			trans	-37.2	119.3	152.4	-123.4	176.4	-179.2	176.2	0	103.9	V273 S277	V273-K275 PolarHBondContact O-N 2.95Å; V273-K275 VanDerWaalsContact O-N 3.09Å; K275-S277 PolarHBondContact O-N 2.83Å
276	K	38	Very low	53.3	Low	191 Å²	191	108 Å²	108	83%	0.83	57%	0.571	S	S	*	*			trans	-49	108.7	163.3	-83.1	-176	177.5	-179.3	0	102.9	Q274 D278	Q274-K276 PolarHBondContact O-N 2.85Å; K276-D278 VanDerWaalsContact C-N 3.34Å; K276-D278 PolarHBondContact O-N 2.88Å
277	S	35.8	Very low	50.5	Low	85 Å²	85	110.6 Å²	110.6	59%	0.594	59%	0.591	S	S	*	*			trans	-60.3	114.6	170.3	54.7	0	0	0	0	101.9	K275 V279	K275-S277 PolarHBondContact O-N 2.83Å; S277-V279 PolarHBondContact O-N 2.72Å; S277-V279 WeakPolarHBondContact OG-CG2 3.34Å
278	D	33.8	Very low	47.2	Very low	164 Å²	164	117.5 Å²	117.5	88%	0.877	63%	0.627	S	S	*	*			trans	-61.2	77.9	164.1	-73.6	-41.3	0	0	0	105.8	K276 N280	K276-D278 VanDerWaalsContact C-N 3.34Å; K276-D278 PolarHBondContact O-N 2.88Å; D278-N280 VanDerWaalsContact C-N 3.31Å
279	V	34.1	Very low	44	Very low	102 Å²	102	126.3 Å²	126.3	62%	0.618	66%	0.664	S	S	*	*			trans	-105.1	68.7	170	-177.8	0	0	0	0	104.2	S277 D281	S277-V279 PolarHBondContact O-N 2.72Å; S277-V279 WeakPolarHBondContact OG-CG2 3.34Å; V279-D281 PolarHBondContact O-N 2.94Å
280	N	29.9	Very low	40.8	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	68%	0.676	S	S	*	*				-64.3	97.1	125	-80.9	-17.5	0	0	0	105.8	D278	D278-N280 VanDerWaalsContact C-N 3.31Å
281	D	29	Very low	38	Very low	121 Å²	121	136.3 Å²	136.3	65%	0.647	72%	0.716	S	S	*	*			trans	-172.1	121.1	131.3	-107.8	-3.2	0	0	0	111.7	V279	V279-D281 PolarHBondContact O-N 2.94Å
282	F	29.5	Very low	34.9	Very low	166 Å²	166	144.2 Å²	144.2	73%	0.728	75%	0.753	S	S	*	*			trans	43.2	105.3	149.9	-68.8	-84.2	0	0	0	119.7	T284	F282-T284 PolarHBondContact O-N 2.83Å
283	S	29.2	Very low	32	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	75%	0.752	S	S	*	*				24.5	102.7	117.8	61.1	0	0	0	0	116.4
284	T	29.7	Very low	30.3	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	78%	0.775	S	S	*	*			trans	-145.2	83.8	141.6	13.9	0	0	0	0	108.4	F282 T286	F282-T284 PolarHBondContact O-N 2.83Å; T284-T286 PolarHBondContact O-N 3.24Å
285	S	24.4	Very low	28.9	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	77%	0.774	S	S	*	*			trans	-60.5	118.8	156.9	44.9	0	0	0	0	109.4
286	T	27.8	Very low	28.1	Very low	126 Å²	126	144.5 Å²	144.5	77%	0.773	77%	0.772	S	S	*	*			trans	-138.4	134.9	157.2	-49.6	0	0	0	0	109.2	T284	T284-T286 PolarHBondContact O-N 3.24Å
287	P	30.5	Very low	27.4	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	77%	0.767	S	S	*	*			trans	-98.6	157.3	-152.4	1.3	20.7	0	0	0	114.5	K289	P287-K289 PolarHBondContact O-N 3.13Å
288	I	22.8	Very low	26.9	Very low	158 Å²	158	141.5 Å²	141.5	81%	0.81	77%	0.771	S	S	*	*			trans	-49.2	124.4	164.6	-60.3	164.5	0	0	0	110
289	K	23.8	Very low	26.3	Very low	196 Å²	196	142.3 Å²	142.3	85%	0.852	77%	0.77	S	S	*	*			trans	-133.9	123.8	154.1	-95	-170.2	176.3	-176.7	0	109.5	P287	P287-K289 PolarHBondContact O-N 3.13Å
290	D	22.3	Very low	25.9	Very low	148 Å²	148	143.1 Å²	143.1	79%	0.791	78%	0.775	S	S	*	*			trans	-49.7	135.7	169.3	-57.6	-63.5	0	0	0	111.8
291	I	31.6	Very low	25.5	Very low	170 Å²	170	143 Å²	143	87%	0.872	77%	0.769	S	S	*	*			trans	-124.7	109.9	153.2	-66.7	178.5	0	0	0	107.2
292	E	22.7	Very low	25.3	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	78%	0.781	S	S	*	*			trans	-48.3	148	165.6	-102.7	176.8	127.8	0	0	114.6
293	T	23.7	Very low	25	Very low	107 Å²	107	141.4 Å²	141.4	66%	0.656	78%	0.777	S	S	*	*			trans	65.5	95.1	138.1	-47.1	0	0	0	0	117.9
294	T	28.2	Very low	25	Very low	142 Å²	142	145 Å²	145	87%	0.871	78%	0.783	S	S	*	*			trans	-123.7	99.7	136.9	-62.4	0	0	0	0	108.6	R296	T294-R296 PolarHBondContact O-N 3.3Å
295	L	20.7	Very low	24.9	Very low	150 Å²	150	145 Å²	145	79%	0.785	78%	0.778	S	S	*	*			trans	-60.9	112.3	166.6	-157.7	101.4	0	0	0	108.9
296	R	22.9	Very low	25.1	Very low	220 Å²	220	146.6 Å²	146.6	83%	0.83	78%	0.777	S	S	*	*			trans	-149.7	90.5	149.7	-157.9	171.4	-170.2	171.9	2.4	110	T294 T298	T294-R296 PolarHBondContact O-N 3.3Å; R296-T298 PolarHBondContact O-N 2.91Å
297	S	23.6	Very low	25.4	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	77%	0.774	S	S	*	*			trans	-45.4	118.7	155.9	10.3	0	0	0	0	109.7
298	T	24.1	Very low	25.5	Very low	111 Å²	111	149 Å²	149	68%	0.681	77%	0.772	S	S	*	*			trans	-131.9	94.4	147.7	-43.4	0	0	0	0	105.6	R296 V300	R296-T298 PolarHBondContact O-N 2.91Å; T298-V300 HydrophobicContact CG2-CG2 4.13Å; T298-V300 PolarHBondContact O-N 2.88Å; T298-V300 VanDerWaalsContact O-N 3.1Å
299	E	21.9	Very low	26.2	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	76%	0.759	S	S	*	*			trans	-59.2	101.6	167.2	-156.7	174.9	-165.8	0	0	106.9
300	V	25.4	Very low	27	Very low	119 Å²	119	140.2 Å²	140.2	72%	0.721	74%	0.742	S	S	*	*			trans	-112.4	106.1	166.3	178.9	0	0	0	0	105.9	T298 V302	T298-V300 HydrophobicContact CG2-CG2 4.13Å; T298-V300 PolarHBondContact O-N 2.88Å; T298-V300 VanDerWaalsContact O-N 3.1Å; V300-V302 PolarHBondContact O-N 3.39Å
301	Q	22.9	Very low	27.8	Very low	156 Å²	156	139 Å²	139	73%	0.729	73%	0.732	S	S	*	*			trans	-52	119.7	174.7	-69.1	-170.8	-22.1	0	0	109.8	T303	Q301-T303 VanDerWaalsContact C-N 3.25Å; Q301-T303 PolarHBondContact O-N 2.8Å
302	V	23.8	Very low	28.2	Very low	149 Å²	149	137.3 Å²	137.3	90%	0.903	72%	0.721	S	S	*	*			trans	-66.1	90.2	164.6	178	0	0	0	0	106.4	V300	V300-V302 PolarHBondContact O-N 3.39Å
303	T	23.6	Very low	28.8	Very low	104 Å²	104	139 Å²	139	64%	0.638	72%	0.72	S	S	*	*			trans	-97.7	116.6	166.5	-49.7	0	0	0	0	108.1	Q301 N305	Q301-T303 VanDerWaalsContact C-N 3.25Å; Q301-T303 PolarHBondContact O-N 2.8Å; T303-N305 PolarHBondContact O-N 3.5Å
304	E	28.4	Very low	29.3	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	72%	0.719	S	S	*	*	S	Bend	trans	-45.6	82	176.5	-172.9	174.1	-167.5	0	0	114.9
305	N	28.2	Very low	29.6	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	70%	0.703	S	S	*	*			trans	-134.2	17.5	171.7	-86	-16.4	0	0	0	114.9	T303 I307	T303-N305 PolarHBondContact O-N 3.5Å; N305-I307 VanDerWaalsContact C-N 3.33Å; N305-I307 PolarHBondContact O-N 2.66Å
306	L	29.1	Very low	30.2	Very low	150 Å²	150	140 Å²	140	79%	0.785	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	8.8	179.5	-146.4	80.7	0	0	0	115.1
307	I	33	Very low	30.9	Very low	140 Å²	140	135.3 Å²	135.3	72%	0.718	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-23.6	178.5	-62.9	177.9	0	0	0	112.1	N305	N305-I307 VanDerWaalsContact C-N 3.33Å; N305-I307 PolarHBondContact O-N 2.66Å
308	E	33.5	Very low	31.4	Very low	153 Å²	153	135.1 Å²	135.1	72%	0.715	68%	0.68	S	S	*	*	H	α-helix	trans	-81.3	-19	-177.3	-88.1	-173.3	150.4	0	0	115.6	T310 E312	E308-T310 VanDerWaalsContact C-N 3.31Å; E308-T310 PolarHBondContact O-N 2.91Å; E308-E312 PolarHBondContact O-N 3.27Å
309	T	37.4	Very low	31.8	Very low	86 Å²	86	135 Å²	135	53%	0.528	68%	0.679	S	S	.	*	H	α-helix	trans	-73.3	-23	179.1	28.3	0	0	0	0	113.5	R313	T309-R313 PolarHBondContact O-N 3.1Å
310	T	39.6	Very low	32.2	Very low	83 Å²	83	133.8 Å²	133.8	51%	0.509	67%	0.672	S	S	.	*	H	α-helix	trans	-76	-39.9	-179.7	-33.3	0	0	0	0	111.6	E308 R313 Y314	E308-T310 VanDerWaalsContact C-N 3.31Å; E308-T310 PolarHBondContact O-N 2.91Å; T310-R313 PolarHBondContact O-N 3.34Å; T310-Y314 HydrophobicContact CG2-CE2 4.42Å; T310-Y314 WeakPolarHBondContact O-CD2 3.34Å; T310-Y314 PolarHBondContact O-N 2.98Å
311	E	39.9	Very low	32.6	Very low	123 Å²	123	131.1 Å²	131.1	58%	0.575	66%	0.655	S	S	*	*	H	α-helix	trans	-69.2	-37.7	176.3	-86.8	-159.2	176.8	0	0	112.7	R313 Y314 K315	E311-R313 VanDerWaalsContact C-N 3.29Å; E311-R313 PolarHBondContact O-N 3.18Å; E311-Y314 PolarHBondContact O-N 2.95Å; E311-K315 WeakPolarHBondContact O-CG 3.29Å; E311-K315 PolarHBondContact O-N 3.47Å; E311-K315 IonicContact OE2-NZ 2.78Å; E311-K315 PolarHBondContact OE2-NZ 3.27Å
312	E	39.7	Very low	33.2	Very low	135 Å²	135	128.2 Å²	128.2	63%	0.631	65%	0.648	S	S	*	*	H	α-helix	trans	-65.3	-34.4	175.8	-73.1	-165.4	153.6	0	0	112.1	E308 Y314 K315 H316	E308-E312 PolarHBondContact O-N 3.27Å; E312-Y314 PolarHBondContact O-N 2.96Å; E312-K315 PolarHBondContact O-N 2.45Å; E312-H316 WeakPolarHBondContact O-CB 3.38Å; E312-H316 PolarHBondContact O-N 3.25Å
313	R	35.2	Very low	34	Very low	206 Å²	206	127.6 Å²	127.6	78%	0.777	64%	0.64	S	S	*	*	H	α-helix	trans	-66	-36.8	174.6	-174.1	175.8	-89.8	-172	-6.4	112	T309 T310 E311 L317	T309-R313 PolarHBondContact O-N 3.1Å; T310-R313 PolarHBondContact O-N 3.34Å; E311-R313 VanDerWaalsContact C-N 3.29Å; E311-R313 PolarHBondContact O-N 3.18Å; R313-L317 PolarHBondContact O-N 3.23Å
314	Y	35.1	Very low	34.9	Very low	163 Å²	163	129.6 Å²	129.6	64%	0.639	64%	0.642	S	S	*	*	H	α-helix	trans	-73.2	-36.7	173	-84.9	-81	0	0	0	112.9	T310 E311 E312 L317 T318	T310-Y314 HydrophobicContact CG2-CE2 4.42Å; T310-Y314 WeakPolarHBondContact O-CD2 3.34Å; T310-Y314 PolarHBondContact O-N 2.98Å; E311-Y314 PolarHBondContact O-N 2.95Å; E312-Y314 PolarHBondContact O-N 2.96Å; Y314-L317 PolarHBondContact O-N 3.01Å; Y314-T318 PolarHBondContact O-N 3.07Å; Y314-T318 VanDerWaalsContact O-N 3.13Å; Y314-T318 PolarHBondContact O-OG1 2.87Å
315	K	34.1	Very low	35.6	Very low	124 Å²	124	125.5 Å²	125.5	54%	0.539	63%	0.626	S	S	.	*	H	α-helix	trans	-66.5	-43.6	175.2	-75.6	173.9	-175.7	156.8	0	111.7	E311 E312 L317 T318 T319	E311-K315 WeakPolarHBondContact O-CG 3.29Å; E311-K315 PolarHBondContact O-N 3.47Å; E311-K315 IonicContact OE2-NZ 2.78Å; E311-K315 PolarHBondContact OE2-NZ 3.27Å; E312-K315 PolarHBondContact O-N 2.45Å; K315-L317 PolarHBondContact O-N 2.85Å; K315-T318 PolarHBondContact O-N 3.22Å; K315-T319 PolarHBondContact O-N 3.17Å; K315-T319 PolarHBondContact O-OG1 2.88Å
316	H	32	Very low	36.4	Very low	131 Å²	131	127.1 Å²	127.1	61%	0.606	63%	0.627	S	S	*	*	H	α-helix	trans	-68	-24.5	177.6	-158.6	-78.4	0	0	0	112.8	E312	E312-H316 WeakPolarHBondContact O-CB 3.38Å; E312-H316 PolarHBondContact O-N 3.25Å
317	L	38	Very low	37.1	Very low	123 Å²	123	126.2 Å²	126.2	64%	0.644	62%	0.618	S	S	*	*	H	α-helix	trans	-71.6	-33	169.6	-162.5	70.7	0	0	0	112	R313 Y314 K315 T321	R313-L317 PolarHBondContact O-N 3.23Å; Y314-L317 PolarHBondContact O-N 3.01Å; K315-L317 PolarHBondContact O-N 2.85Å; L317-T321 PolarHBondContact O-OG1 2.76Å
318	T	34.9	Very low	38	Very low	98 Å²	98	126.3 Å²	126.3	60%	0.601	62%	0.615	S	S	*	*	H	α-helix	trans	-81	-35.8	-177.9	-45.4	0	0	0	0	112.3	Y314 K315 T321	Y314-T318 PolarHBondContact O-N 3.07Å; Y314-T318 VanDerWaalsContact O-N 3.13Å; Y314-T318 PolarHBondContact O-OG1 2.87Å; K315-T318 PolarHBondContact O-N 3.22Å; T318-T321 PolarHBondContact O-N 2.84Å; T318-T321 PolarHBondContact O-OG1 2.82Å
319	T	31.7	Very low	39	Very low	107 Å²	107	125.8 Å²	125.8	66%	0.656	61%	0.611	S	S	*	*	H	α-helix	trans	-72.4	-31.4	-179.2	-25.1	0	0	0	0	112.4	K315 T321	K315-T319 PolarHBondContact O-N 3.17Å; K315-T319 PolarHBondContact O-OG1 2.88Å; T319-T321 PolarHBondContact O-N 2.79Å
320	K	30.8	Very low	40.1	Very low	158 Å²	158	124.7 Å²	124.7	69%	0.687	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-8	177.5	-115.5	-178	179.3	-177.4	0	114.1
321	T	34.7	Very low	41	Very low	62 Å²	62	125 Å²	125	38%	0.38	60%	0.602	S	S	.	*	H	α-helix	trans	-88.3	3.7	-178.5	-18.9	0	0	0	0	114.7	L317 T318 T319 N325	L317-T321 PolarHBondContact O-OG1 2.76Å; T318-T321 PolarHBondContact O-N 2.84Å; T318-T321 PolarHBondContact O-OG1 2.82Å; T319-T321 PolarHBondContact O-N 2.79Å; T321-N325 WeakPolarHBondContact O-CB 3.22Å; T321-N325 PolarHBondContact O-ND2 2.92Å; T321-N325 VanDerWaalsContact O-ND2 3.12Å
322	T	35.3	Very low	42.3	Very low	95 Å²	95	126.3 Å²	126.3	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-88.1	-32.9	-176.9	-38.9	0	0	0	0	113.3
323	D	40.2	Very low	43.5	Very low	137 Å²	137	126.9 Å²	126.9	73%	0.733	60%	0.599	S	S	*	*	H	α-helix	trans	-86	-36.4	-178.9	-73.4	-31.5	0	0	0	113.1	N325 K326	D323-N325 PolarHBondContact O-N 3.43Å; D323-K326 PolarHBondContact O-N 2.82Å
324	E	41.9	Very low	45.2	Very low	145 Å²	145	121.5 Å²	121.5	68%	0.678	59%	0.586	S	S	*	*	H	α-helix	trans	-70.6	-29.6	177.1	-73.5	-176.2	164.5	0	0	113	K326 Q327 H328	E324-K326 VanDerWaalsContact C-N 3.32Å; E324-K326 PolarHBondContact O-N 2.98Å; E324-Q327 PolarHBondContact O-N 2.88Å; E324-H328 PolarHBondContact O-N 2.92Å
325	N	44.2	Very low	47.1	Very low	85 Å²	85	121.6 Å²	121.6	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-69.5	-26.5	179.2	-99.6	-34.5	0	0	0	113.6	T321 D323 K329	T321-N325 WeakPolarHBondContact O-CB 3.22Å; T321-N325 PolarHBondContact O-ND2 2.92Å; T321-N325 VanDerWaalsContact O-ND2 3.12Å; D323-N325 PolarHBondContact O-N 3.43Å; N325-K329 VanDerWaalsContact O-CB 3.31Å; N325-K329 WeakPolarHBondContact O-CB 3.31Å; N325-K329 PolarHBondContact O-N 2.79Å
326	K	44.4	Very low	49.1	Very low	165 Å²	165	118.9 Å²	118.9	72%	0.717	58%	0.58	S	S	*	*	H	α-helix	trans	-69	-40.7	172.7	-89.2	-178.8	178.6	171.9	0	111	D323 E324 S330	D323-K326 PolarHBondContact O-N 2.82Å; E324-K326 VanDerWaalsContact C-N 3.32Å; E324-K326 PolarHBondContact O-N 2.98Å; K326-S330 WeakPolarHBondContact O-CB 3.24Å; K326-S330 PolarHBondContact O-N 2.76Å
327	Q	43.7	Very low	51	Low	131 Å²	131	114.5 Å²	114.5	61%	0.612	56%	0.562	S	S	*	*	H	α-helix	trans	-70.7	-43.6	179.6	-160.8	169.2	2.6	0	0	111.1	E324 K329 S330 H331	E324-Q327 PolarHBondContact O-N 2.88Å; Q327-K329 PolarHBondContact O-N 3.28Å; Q327-S330 WeakPolarHBondContact O-CB 3.49Å; Q327-S330 PolarHBondContact O-N 2.5Å; Q327-H331 PolarHBondContact O-CD2 2.89Å; Q327-H331 PolarHBondContact O-N 3.1Å
328	H	52.4	Low	52.9	Low	142 Å²	142	112.7 Å²	112.7	66%	0.657	55%	0.552	S	S	*	*	H	α-helix	trans	-69.1	-35	178.7	-150.9	-81.1	0	0	0	113	E324 W332	E324-H328 PolarHBondContact O-N 2.92Å; H328-W332 VanDerWaalsContact O-CB 3.24Å; H328-W332 WeakPolarHBondContact O-CB 3.41Å; H328-W332 PolarHBondContact O-N 2.81Å
329	K	53.4	Low	55.1	Low	143 Å²	143	111.2 Å²	111.2	62%	0.622	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-40.1	170.4	-86.8	-177.2	176.6	175.7	0	112.3	N325 Q327 Y333	N325-K329 VanDerWaalsContact O-CB 3.31Å; N325-K329 WeakPolarHBondContact O-CB 3.31Å; N325-K329 PolarHBondContact O-N 2.79Å; Q327-K329 PolarHBondContact O-N 3.28Å; K329-Y333 VanDerWaalsContact O-CB 3.31Å; K329-Y333 WeakPolarHBondContact O-CB 3.38Å; K329-Y333 PolarHBondContact O-N 2.87Å
330	S	61.3	Low	57.4	Low	63 Å²	63	110.9 Å²	110.9	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-45.3	177.7	-174	0	0	0	0	111.6	K326 Q327 Y333 L334	K326-S330 WeakPolarHBondContact O-CB 3.24Å; K326-S330 PolarHBondContact O-N 2.76Å; Q327-S330 WeakPolarHBondContact O-CB 3.49Å; Q327-S330 PolarHBondContact O-N 2.5Å; S330-Y333 PolarHBondContact O-N 3.04Å; S330-L334 WeakPolarHBondContact O-CB 3.32Å; S330-L334 PolarHBondContact O-N 2.93Å
331	H	57.8	Low	59.8	Low	88 Å²	88	106.4 Å²	106.4	41%	0.407	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-42.8	177.8	-78.1	-110.7	0	0	0	111.8	Q327 Y333 L334 Y335	Q327-H331 PolarHBondContact O-CD2 2.89Å; Q327-H331 PolarHBondContact O-N 3.1Å; H331-Y333 VanDerWaalsContact C-N 3.31Å; H331-Y333 PolarHBondContact O-N 3.2Å; H331-L334 PolarHBondContact O-N 3.44Å; H331-Y335 HydrophobicContact CB-CD2 4.22Å; H331-Y335 HydrophobicContact CB-CE2 4.33Å; H331-Y335 AromaticContact ND1-CE2 3.64Å; H331-Y335 WeakPolarHBondContact O-CD2 3.18Å; H331-Y335 PolarHBondContact O-N 2.83Å
332	W	66.7	Low	62	Low	152 Å²	152	105.7 Å²	105.7	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-60	-41	175.6	176.8	44.9	0	0	0	112.4	H328 V336	H328-W332 VanDerWaalsContact O-CB 3.24Å; H328-W332 WeakPolarHBondContact O-CB 3.41Å; H328-W332 PolarHBondContact O-N 2.81Å; W332-V336 WeakPolarHBondContact O-CB 3.05Å; W332-V336 PolarHBondContact O-N 3.32Å
333	Y	66.1	Low	64.3	Low	147 Å²	147	102.8 Å²	102.8	58%	0.576	51%	0.508	S	S	*	.	I	π-helix	trans	-63.4	-44.3	175.7	-160.4	-92.9	0	0	0	111.6	K329 S330 H331 V337 I338	K329-Y333 VanDerWaalsContact O-CB 3.31Å; K329-Y333 WeakPolarHBondContact O-CB 3.38Å; K329-Y333 PolarHBondContact O-N 2.87Å; S330-Y333 PolarHBondContact O-N 3.04Å; H331-Y333 VanDerWaalsContact C-N 3.31Å; H331-Y333 PolarHBondContact O-N 3.2Å; Y333-V337 HydrophobicContact CD2-CB 4.06Å; Y333-V337 HydrophobicContact CD2-CG1 4.19Å; Y333-V337 HydrophobicContact CD2-CG2 3.98Å; Y333-V337 HydrophobicContact CE2-CB 4.3Å; Y333-V337 HydrophobicContact CE2-CG1 3.91Å; Y333-V337 HydrophobicContact CE2-CG2 4.46Å; Y333-V337 HydrophobicContact CG-CB 4.29Å; Y333-V337 HydrophobicContact CG-CG2 4.46Å; Y333-V337 WeakPolarHBondContact O-CB 3.36Å; Y333-V337 PolarHBondContact O-N 3.27Å; Y333-I338 PolarHBondContact O-N 3.19Å; Y333-I338 VanDerWaalsContact O-N 3.15Å
334	L	70.7	Confident	66.3	Low	93 Å²	93	101.2 Å²	101.2	49%	0.487	50%	0.498	S	S	.	.	I	π-helix	trans	-65.4	-44.6	179.5	-106	148.2	0	0	0	113.6	S330 H331 I338	S330-L334 WeakPolarHBondContact O-CB 3.32Å; S330-L334 PolarHBondContact O-N 2.93Å; H331-L334 PolarHBondContact O-N 3.44Å; L334-I338 HydrophobicContact CD2-CD1 3.98Å; L334-I338 HydrophobicContact CG-CD1 4.15Å
335	Y	75.6	Confident	68.4	Low	165 Å²	165	100.7 Å²	100.7	65%	0.647	49%	0.494	S	S	*	.	I	π-helix	trans	-93.9	-22	-171.1	-67.7	-70.3	0	0	0	114.6	H331 P339	H331-Y335 HydrophobicContact CB-CD2 4.22Å; H331-Y335 HydrophobicContact CB-CE2 4.33Å; H331-Y335 AromaticContact ND1-CE2 3.64Å; H331-Y335 WeakPolarHBondContact O-CD2 3.18Å; H331-Y335 PolarHBondContact O-N 2.83Å; Y335-P339 WeakPolarHBondContact O-CG 3.32Å
336	V	74.7	Confident	70.5	Confident	67 Å²	67	100.6 Å²	100.6	41%	0.406	49%	0.493	S	S	.	.	I	π-helix	trans	-113.9	-46.4	-176.6	-176.9	0	0	0	0	111.5	W332 L340	W332-V336 WeakPolarHBondContact O-CB 3.05Å; W332-V336 PolarHBondContact O-N 3.32Å; V336-L340 HydrophobicContact CG1-CD1 4Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 WeakPolarHBondContact O-CD1 3.47Å; V336-L340 PolarHBondContact O-N 3.21Å
337	V	73.1	Confident	72.4	Confident	38 Å²	38	97.7 Å²	97.7	23%	0.23	48%	0.484	C	S	.	.	I	π-helix	trans	-74.8	-45.7	-175	-176.8	0	0	0	0	111.6	Y333 L340 V341	Y333-V337 HydrophobicContact CD2-CB 4.06Å; Y333-V337 HydrophobicContact CD2-CG1 4.19Å; Y333-V337 HydrophobicContact CD2-CG2 3.98Å; Y333-V337 HydrophobicContact CE2-CB 4.3Å; Y333-V337 HydrophobicContact CE2-CG1 3.91Å; Y333-V337 HydrophobicContact CE2-CG2 4.46Å; Y333-V337 HydrophobicContact CG-CB 4.29Å; Y333-V337 HydrophobicContact CG-CG2 4.46Å; Y333-V337 WeakPolarHBondContact O-CB 3.36Å; Y333-V337 PolarHBondContact O-N 3.27Å; V337-L340 PolarHBondContact O-N 3.41Å; V337-V341 HydrophobicContact CG1-CG2 4.04Å; V337-V341 WeakPolarHBondContact O-CB 3.47Å; V337-V341 VanDerWaalsContact O-CG2 3.27Å; V337-V341 WeakPolarHBondContact O-CG2 3.34Å; V337-V341 PolarHBondContact O-N 2.92Å
338	I	77.9	Confident	74.3	Confident	85 Å²	85	94.5 Å²	94.5	44%	0.436	48%	0.476	S	S	.	.	H	α-helix	trans	-59.7	-47.6	180	-62.8	175.8	0	0	0	112	Y333 L334 L340 V341 A342	Y333-I338 PolarHBondContact O-N 3.19Å; Y333-I338 VanDerWaalsContact O-N 3.15Å; L334-I338 HydrophobicContact CD2-CD1 3.98Å; L334-I338 HydrophobicContact CG-CD1 4.15Å; I338-L340 PolarHBondContact O-N 3.31Å; I338-V341 PolarHBondContact O-N 2.89Å; I338-A342 VanDerWaalsContact O-CB 3.31Å; I338-A342 WeakPolarHBondContact O-CB 3.35Å; I338-A342 PolarHBondContact O-N 3.46Å
339	P	81.3	Confident	76	Confident	68 Å²	68	91.9 Å²	91.9	44%	0.442	47%	0.466	S	S	.	.	H	α-helix	trans	-65.8	-37.5	177.8	-25.2	37.8	0	0	0	113.6	Y335 A342 S343	Y335-P339 WeakPolarHBondContact O-CG 3.32Å; P339-A342 PolarHBondContact O-N 3.04Å; P339-S343 WeakPolarHBondContact O-CB 3.29Å; P339-S343 PolarHBondContact O-N 3.34Å
340	L	79.6	Confident	77.3	Confident	100 Å²	100	86.9 Å²	86.9	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-62.2	-48.3	175.3	-94.3	162.4	0	0	0	111.3	V336 V337 I338 S343 L344	V336-L340 HydrophobicContact CG1-CD1 4Å; V336-L340 WeakPolarHBondContact O-CB 3.49Å; V336-L340 WeakPolarHBondContact O-CD1 3.47Å; V336-L340 PolarHBondContact O-N 3.21Å; V337-L340 PolarHBondContact O-N 3.41Å; I338-L340 PolarHBondContact O-N 3.31Å; L340-S343 PolarHBondContact O-N 2.81Å; L340-S343 PolarHBondContact O-OG 2.85Å; L340-L344 PolarHBondContact O-N 3.25Å
341	V	80.6	Confident	78.3	Confident	64 Å²	64	87.1 Å²	87.1	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-43.9	177.7	172.1	0	0	0	0	110.5	V337 I338 S343 L344 F345	V337-V341 HydrophobicContact CG1-CG2 4.04Å; V337-V341 WeakPolarHBondContact O-CB 3.47Å; V337-V341 VanDerWaalsContact O-CG2 3.27Å; V337-V341 WeakPolarHBondContact O-CG2 3.34Å; V337-V341 PolarHBondContact O-N 2.92Å; I338-V341 PolarHBondContact O-N 2.89Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.73Å; V341-L344 WeakPolarHBondContact O-CB 3.43Å; V341-L344 PolarHBondContact O-N 2.85Å; V341-F345 HydrophobicContact CG1-CD2 3.62Å; V341-F345 HydrophobicContact CG1-CE2 3.37Å; V341-F345 WeakPolarHBondContact O-CD2 3.2Å; V341-F345 PolarHBondContact O-N 2.95Å
342	A	81.9	Confident	79.6	Confident	46 Å²	46	88.3 Å²	88.3	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-60.4	-40.9	174.9	0	0	0	0	0	112.3	I338 P339 F345 L346	I338-A342 VanDerWaalsContact O-CB 3.31Å; I338-A342 WeakPolarHBondContact O-CB 3.35Å; I338-A342 PolarHBondContact O-N 3.46Å; P339-A342 PolarHBondContact O-N 3.04Å; A342-F345 PolarHBondContact O-N 3.09Å; A342-L346 WeakPolarHBondContact O-CG 3.44Å; A342-L346 PolarHBondContact O-N 3Å
343	S	82.7	Confident	80.3	Confident	35 Å²	35	84 Å²	84	25%	0.245	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-40.1	176.3	77.1	0	0	0	0	112.4	P339 L340 V341 L346 I347	P339-S343 WeakPolarHBondContact O-CB 3.29Å; P339-S343 PolarHBondContact O-N 3.34Å; L340-S343 PolarHBondContact O-N 2.81Å; L340-S343 PolarHBondContact O-OG 2.85Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.73Å; S343-L346 PolarHBondContact O-N 2.89Å; S343-I347 VanDerWaalsContact O-CG1 3.26Å; S343-I347 WeakPolarHBondContact O-CG1 3.19Å; S343-I347 PolarHBondContact O-N 3.11Å
344	L	83.3	Confident	81	Confident	103 Å²	103	85.3 Å²	85.3	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-42.7	173.4	-93.1	156.9	0	0	0	111.6	L340 V341 I347 C348	L340-L344 PolarHBondContact O-N 3.25Å; V341-L344 WeakPolarHBondContact O-CB 3.43Å; V341-L344 PolarHBondContact O-N 2.85Å; L344-I347 PolarHBondContact O-N 3.43Å; L344-C348 WeakPolarHBondContact O-CB 3.26Å; L344-C348 PolarHBondContact O-N 2.86Å; L344-C348 PolarHBondContact O-SG 3.03Å
345	F	85.1	Confident	81.3	Confident	134 Å²	134	90 Å²	90	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-62.8	-42.3	174.5	-82.8	-67.8	0	0	0	112.2	V341 A342 I347 C348 I349	V341-F345 HydrophobicContact CG1-CD2 3.62Å; V341-F345 HydrophobicContact CG1-CE2 3.37Å; V341-F345 WeakPolarHBondContact O-CD2 3.2Å; V341-F345 PolarHBondContact O-N 2.95Å; A342-F345 PolarHBondContact O-N 3.09Å; F345-I347 VanDerWaalsContact C-N 3.34Å; F345-I347 PolarHBondContact O-N 2.92Å; F345-C348 PolarHBondContact O-N 2.93Å; F345-I349 WeakPolarHBondContact O-CB 3.16Å; F345-I349 VanDerWaalsContact O-CG1 3.23Å; F345-I349 WeakPolarHBondContact O-CG1 3.42Å; F345-I349 PolarHBondContact O-N 3.02Å
346	L	87.4	Confident	81.5	Confident	83 Å²	83	88.8 Å²	88.8	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-39.9	176.3	-71.6	171.9	0	0	0	112.1	L9 A342 S343 G350	L9-L346 HydrophobicContact CD1-CD1 4.4Å; A342-L346 WeakPolarHBondContact O-CG 3.44Å; A342-L346 PolarHBondContact O-N 3Å; S343-L346 PolarHBondContact O-N 2.89Å; L346-G350 PolarHBondContact O-N 2.98Å
347	I	86	Confident	81.6	Confident	104 Å²	104	88.7 Å²	88.7	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-46.5	174.1	-67.3	164.6	0	0	0	110.2	S343 L344 F345 I349 G350 C351	S343-I347 VanDerWaalsContact O-CG1 3.26Å; S343-I347 WeakPolarHBondContact O-CG1 3.19Å; S343-I347 PolarHBondContact O-N 3.11Å; L344-I347 PolarHBondContact O-N 3.43Å; F345-I347 VanDerWaalsContact C-N 3.34Å; F345-I347 PolarHBondContact O-N 2.92Å; I347-I349 PolarHBondContact O-N 3.36Å; I347-G350 CarbonylContact O-C 3.59Å; I347-G350 PolarHBondContact O-N 3.06Å; I347-C351 PolarHBondContact O-N 2.87Å; I347-C351 PolarHBondContact O-SG 3.01Å
348	C	83.8	Confident	81.6	Confident	65 Å²	65	91.5 Å²	91.5	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-60.8	-44	177.3	-75	0	0	0	0	112.3	L344 F345 G350 C351 I352	L344-C348 WeakPolarHBondContact O-CB 3.26Å; L344-C348 PolarHBondContact O-N 2.86Å; L344-C348 PolarHBondContact O-SG 3.03Å; F345-C348 PolarHBondContact O-N 2.93Å; C348-G350 VanDerWaalsContact C-N 3.34Å; C348-C351 PolarHBondContact O-N 2.89Å; C348-I352 VanDerWaalsContact O-CG1 3.27Å; C348-I352 WeakPolarHBondContact O-CG1 3.41Å; C348-I352 PolarHBondContact O-N 3.41Å
349	I	87	Confident	81.4	Confident	86 Å²	86	97.3 Å²	97.3	44%	0.441	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.2	-68.9	165.1	0	0	0	109.9	F345 I347 C351 I352 I353	F345-I349 WeakPolarHBondContact O-CB 3.16Å; F345-I349 VanDerWaalsContact O-CG1 3.23Å; F345-I349 WeakPolarHBondContact O-CG1 3.42Å; F345-I349 PolarHBondContact O-N 3.02Å; I347-I349 PolarHBondContact O-N 3.36Å; I349-C351 VanDerWaalsContact C-N 3.33Å; I349-C351 PolarHBondContact O-N 2.68Å; I349-I352 PolarHBondContact O-N 3.1Å; I349-I353 HydrophobicContact CG2-CD1 3.56Å; I349-I353 HydrophobicContact CG2-CG1 4.24Å; I349-I353 WeakPolarHBondContact O-CB 3.28Å; I349-I353 VanDerWaalsContact O-CG1 3.25Å; I349-I353 WeakPolarHBondContact O-CG1 3.15Å; I349-I353 PolarHBondContact O-N 3.34Å
350	G	81.5	Confident	80.8	Confident	39 Å²	39	100.5 Å²	100.5	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-56.2	-45.2	173.1	0	0	0	0	0	112.4	L346 I347 C348 I353 W354	L346-G350 PolarHBondContact O-N 2.98Å; I347-G350 CarbonylContact O-C 3.59Å; I347-G350 PolarHBondContact O-N 3.06Å; C348-G350 VanDerWaalsContact C-N 3.34Å; G350-I353 PolarHBondContact O-N 3.35Å; G350-W354 WeakPolarHBondContact O-CB 3.47Å; G350-W354 PolarHBondContact O-N 3.35Å
351	C	82.4	Confident	80.1	Confident	68 Å²	68	103.6 Å²	103.6	46%	0.459	50%	0.5	S	S	.	.	H	α-helix	trans	-65.7	-38.4	176.2	-69.1	0	0	0	0	113	I347 C348 I349 R355	I347-C351 PolarHBondContact O-N 2.87Å; I347-C351 PolarHBondContact O-SG 3.01Å; C348-C351 PolarHBondContact O-N 2.89Å; I349-C351 VanDerWaalsContact C-N 3.33Å; I349-C351 PolarHBondContact O-N 2.68Å; C351-R355 WeakPolarHBondContact O-CB 3.42Å; C351-R355 WeakPolarHBondContact O-CG 3.12Å; C351-R355 PolarHBondContact O-N 2.9Å
352	I	84.5	Confident	79.1	Confident	113 Å²	113	110.5 Å²	110.5	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-47	176.7	-69.7	165.5	0	0	0	110	C348 I349 W354 R355 W356	C348-I352 VanDerWaalsContact O-CG1 3.27Å; C348-I352 WeakPolarHBondContact O-CG1 3.41Å; C348-I352 PolarHBondContact O-N 3.41Å; I349-I352 PolarHBondContact O-N 3.1Å; I352-W354 VanDerWaalsContact C-N 3.33Å; I352-W354 PolarHBondContact O-N 3.4Å; I352-R355 PolarHBondContact O-N 3.31Å; I352-W356 WeakPolarHBondContact O-CB 3.1Å; I352-W356 PolarHBondContact O-N 3.43Å
353	I	82.1	Confident	78	Confident	60 Å²	60	112.3 Å²	112.3	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-64.1	-41.5	178.3	-64.3	166.9	0	0	0	110.4	Y3 I349 G350 W356 L357	Y3-I353 WeakPolarHBondContact OH-CG2 2.99Å; I349-I353 HydrophobicContact CG2-CD1 3.56Å; I349-I353 HydrophobicContact CG2-CG1 4.24Å; I349-I353 WeakPolarHBondContact O-CB 3.28Å; I349-I353 VanDerWaalsContact O-CG1 3.25Å; I349-I353 WeakPolarHBondContact O-CG1 3.15Å; I349-I353 PolarHBondContact O-N 3.34Å; G350-I353 PolarHBondContact O-N 3.35Å; I353-W356 PolarHBondContact O-N 2.8Å; I353-L357 HydrophobicContact CG2-CD1 3.99Å; I353-L357 HydrophobicContact CG2-CG 4.36Å; I353-L357 WeakPolarHBondContact O-CB 3.08Å; I353-L357 WeakPolarHBondContact O-CG 3.33Å; I353-L357 PolarHBondContact O-N 3.12Å
354	W	81	Confident	76.6	Confident	176 Å²	176	116.9 Å²	116.9	67%	0.667	55%	0.551	S	S	*	*	H	α-helix	trans	-59.8	-46.6	173.7	-177.5	-83.6	0	0	0	111.9	G350 I352 W356 L357 L358	G350-W354 WeakPolarHBondContact O-CB 3.47Å; G350-W354 PolarHBondContact O-N 3.35Å; I352-W354 VanDerWaalsContact C-N 3.33Å; I352-W354 PolarHBondContact O-N 3.4Å; W354-W356 VanDerWaalsContact C-N 3.32Å; W354-W356 PolarHBondContact O-N 2.85Å; W354-L357 PolarHBondContact O-N 3.14Å; W354-L358 HydrophobicContact CG-CD1 4.46Å; W354-L358 WeakPolarHBondContact O-CB 3.13Å; W354-L358 PolarHBondContact O-N 2.98Å
355	R	76.9	Confident	75	Confident	192 Å²	192	122.5 Å²	122.5	73%	0.725	57%	0.574	S	S	*	*	H	α-helix	trans	-63.5	-36.8	175	-80.2	-175.1	174.8	-163.1	-0.1	112.5	C351 I352 L358 R359	C351-R355 WeakPolarHBondContact O-CB 3.42Å; C351-R355 WeakPolarHBondContact O-CG 3.12Å; C351-R355 PolarHBondContact O-N 2.9Å; I352-R355 PolarHBondContact O-N 3.31Å; R355-L358 PolarHBondContact O-N 2.7Å; R355-R359 PolarHBondContact O-N 2.97Å
356	W	78.8	Confident	74.5	Confident	138 Å²	138	121.9 Å²	121.9	52%	0.523	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-43.7	177.6	-171.6	79.9	0	0	0	111.6	I352 I353 W354 L358 R359 R360	I352-W356 WeakPolarHBondContact O-CB 3.1Å; I352-W356 PolarHBondContact O-N 3.43Å; I353-W356 PolarHBondContact O-N 2.8Å; W354-W356 VanDerWaalsContact C-N 3.32Å; W354-W356 PolarHBondContact O-N 2.85Å; W356-L358 PolarHBondContact O-N 3.43Å; W356-R359 PolarHBondContact O-N 3.45Å; W356-R360 PolarHBondContact O-N 2.9Å
357	L	78	Confident	73.8	Confident	65 Å²	65	123.9 Å²	123.9	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-62.8	-40.6	173.7	-72.6	170.4	0	0	0	111.9	I353 W354 R360 K361	I353-L357 HydrophobicContact CG2-CD1 3.99Å; I353-L357 HydrophobicContact CG2-CG 4.36Å; I353-L357 WeakPolarHBondContact O-CB 3.08Å; I353-L357 WeakPolarHBondContact O-CG 3.33Å; I353-L357 PolarHBondContact O-N 3.12Å; W354-L357 PolarHBondContact O-N 3.14Å; L357-R360 PolarHBondContact O-N 3.25Å; L357-K361 PolarHBondContact O-N 3.34Å
358	L	72.7	Confident	73.1	Confident	98 Å²	98	125.1 Å²	125.1	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-62.8	-38.8	173.6	-86.3	166.4	0	0	0	112.7	W354 R355 W356	W354-L358 HydrophobicContact CG-CD1 4.46Å; W354-L358 WeakPolarHBondContact O-CB 3.13Å; W354-L358 PolarHBondContact O-N 2.98Å; R355-L358 PolarHBondContact O-N 2.7Å; W356-L358 PolarHBondContact O-N 3.43Å
359	R	73	Confident	72.5	Confident	206 Å²	206	128.6 Å²	128.6	78%	0.777	59%	0.592	S	S	*	*	H	α-helix	trans	-66.8	-42.6	174.6	-87.5	-171.8	-177.8	177.1	1	112.1	R355 W356 K361 R362	R355-R359 PolarHBondContact O-N 2.97Å; W356-R359 PolarHBondContact O-N 3.45Å; R359-K361 VanDerWaalsContact C-N 3.31Å; R359-K361 PolarHBondContact O-N 3.41Å; R359-R362 WeakPolarHBondContact O-CB 3.46Å; R359-R362 PolarHBondContact O-N 3.42Å
360	R	69.5	Low	71.6	Confident	135 Å²	135	131.3 Å²	131.3	51%	0.509	60%	0.602	S	S	.	*	H	α-helix	trans	-65	-36.7	-179.1	-158	175.1	-173.6	177.8	2.8	112	W356 L357 R362 S363	W356-R360 PolarHBondContact O-N 2.9Å; L357-R360 PolarHBondContact O-N 3.25Å; R360-R362 PolarHBondContact O-N 2.67Å; R360-R362 VanDerWaalsContact O-N 3.17Å; R360-S363 PolarHBondContact O-N 3.44Å; R360-S363 PolarHBondContact O-OG 3.47Å; R360-S363 VanDerWaalsContact O-OG 3.07Å
361	K	65.1	Low	70.9	Confident	165 Å²	165	137.4 Å²	137.4	72%	0.717	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-16.9	174.5	-140	-177	-175.8	-169.6	0	113.8	L357 R359	L357-K361 PolarHBondContact O-N 3.34Å; R359-K361 VanDerWaalsContact C-N 3.31Å; R359-K361 PolarHBondContact O-N 3.41Å
362	R	59.2	Low	70.1	Confident	210 Å²	210	142.4 Å²	142.4	79%	0.792	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-4.1	-179.3	-143.1	-172.6	-113.8	179.5	-3.8	113.5	R359 R360	R359-R362 WeakPolarHBondContact O-CB 3.46Å; R359-R362 PolarHBondContact O-N 3.42Å; R360-R362 PolarHBondContact O-N 2.67Å; R360-R362 VanDerWaalsContact O-N 3.17Å
363	S	57.5	Low	69	Low	83 Å²	83	144.6 Å²	144.6	58%	0.58	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-12.1	172	64.8	0	0	0	0	113.4	R360	R360-S363 PolarHBondContact O-N 3.44Å; R360-S363 PolarHBondContact O-OG 3.47Å; R360-S363 VanDerWaalsContact O-OG 3.07Å
364	D	54.7	Low	67.9	Low	132 Å²	132	151.7 Å²	151.7	71%	0.706	66%	0.657	S	S	*	*			trans	-96.8	5.5	177	-63.5	-16.9	0	0	0	111.8
365	E	48.7	Very low	66.7	Low	220 Å²	220	149.5 Å²	149.5	100%	1.028	66%	0.656	S	S	*	*			trans	-106.8	0	158.6	-81.1	178	168.5	0	0	107.9

Retrieved 365 of 365 residues in 254.9 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).