A0AA82N8F4_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	47.5	Very low	217 Å²	217	147.5 Å²	147.5	100%	1.069	70%	0.695	S	S	*	*				0	100.8	0	-74.7	173.5	177	0	0	108.7
2	R	37.8	Very low	49	Very low	241 Å²	241	139.1 Å²	139.1	91%	0.909	66%	0.664	S	S	*	*			trans	-110.9	97.9	167	-78.1	-175.9	175.8	176.4	-0.9	106	N4	R2-N4 PolarHBondContact O-N 3.13Å; R2-N4 VanDerWaalsContact O-N 3.13Å
3	Y	42.5	Very low	50.7	Low	191 Å²	191	139.2 Å²	139.2	75%	0.749	66%	0.661	S	S	*	*			trans	-72.6	99.6	175.2	-88.9	-90.7	0	0	0	108	F5	Y3-F5 PolarHBondContact O-N 3.13Å; Y3-F5 VanDerWaalsContact O-N 3.13Å
4	N	40.4	Very low	52.3	Low	141 Å²	141	139.9 Å²	139.9	75%	0.754	66%	0.655	S	S	*	*			trans	-73	98.3	165.9	-76.3	-17.4	0	0	0	107.2	R2 Y6	R2-N4 PolarHBondContact O-N 3.13Å; R2-N4 VanDerWaalsContact O-N 3.13Å; N4-Y6 PolarHBondContact O-N 3.1Å; N4-Y6 VanDerWaalsContact O-N 3.1Å
5	F	42.1	Very low	53.7	Low	187 Å²	187	136.5 Å²	136.5	82%	0.82	64%	0.643	S	S	*	*			trans	-59.7	113.9	168.5	-95.4	-91.7	0	0	0	108.5	Y3 S7	Y3-F5 PolarHBondContact O-N 3.13Å; Y3-F5 VanDerWaalsContact O-N 3.13Å; F5-S7 PolarHBondContact O-N 3.38Å
6	Y	48.2	Very low	55	Low	192 Å²	192	132.4 Å²	132.4	75%	0.753	63%	0.629	S	S	*	*			trans	-59.5	124.7	176.3	-87.3	-101	0	0	0	110.2	N4 N8 I9	N4-Y6 PolarHBondContact O-N 3.1Å; N4-Y6 VanDerWaalsContact O-N 3.1Å; Y6-N8 PolarHBondContact O-N 3.38Å; Y6-I9 PolarHBondContact O-N 3.45Å
7	S	53.9	Low	56	Low	78 Å²	78	128.1 Å²	128.1	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-54.8	-20.2	-176.2	57.7	0	0	0	0	115.5	F5 S10 I11	F5-S7 PolarHBondContact O-N 3.38Å; S7-S10 WeakPolarHBondContact O-CB 3.12Å; S7-I11 WeakPolarHBondContact O-CG1 3.08Å; S7-I11 PolarHBondContact O-N 3.35Å
8	N	51	Low	56.7	Low	111 Å²	111	124.9 Å²	124.9	59%	0.594	60%	0.603	S	S	*	*	H	α-helix	trans	-77.9	-31.4	-175	-73.1	-19	0	0	0	114.4	Y6 S10	Y6-N8 PolarHBondContact O-N 3.38Å; N8-S10 VanDerWaalsContact C-N 3.3Å
9	I	51.6	Low	57	Low	125 Å²	125	124.4 Å²	124.4	64%	0.641	60%	0.603	S	S	*	*	H	α-helix	trans	-71.9	-34	174.3	-63.5	173.5	0	0	0	109.9	Y6 F13	Y6-I9 PolarHBondContact O-N 3.45Å; I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.32Å
10	S	58.3	Low	57.1	Low	51 Å²	51	123.1 Å²	123.1	36%	0.357	60%	0.599	S	S	.	*	H	α-helix	trans	-57.5	-55.6	173.8	176.6	0	0	0	0	110.3	S7 N8 S12 F13 Y14	S7-S10 WeakPolarHBondContact O-CB 3.12Å; N8-S10 VanDerWaalsContact C-N 3.3Å; S10-S12 PolarHBondContact O-N 3.01Å; S10-F13 PolarHBondContact O-N 3.46Å; S10-Y14 WeakPolarHBondContact O-CB 3.35Å; S10-Y14 WeakPolarHBondContact O-CD2 3.33Å; S10-Y14 PolarHBondContact O-N 3.45Å; S10-Y14 WeakPolarHBondContact OG-CD2 3.39Å; S10-Y14 WeakPolarHBondContact OG-CE2 3.32Å
11	I	60.4	Low	57.2	Low	89 Å²	89	123.4 Å²	123.4	46%	0.456	59%	0.594	S	S	.	*	H	α-helix	trans	-59.5	-42.6	-173.5	-63.3	160.9	0	0	0	113.3	S7 Y14 L15	S7-I11 WeakPolarHBondContact O-CG1 3.08Å; S7-I11 PolarHBondContact O-N 3.35Å; I11-Y14 PolarHBondContact O-N 3.24Å; I11-L15 HydrophobicContact CG2-CD1 4.08Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å
12	S	64.5	Low	57.9	Low	46 Å²	46	119.9 Å²	119.9	32%	0.322	57%	0.573	S	S	.	*	H	α-helix	trans	-68.4	-42.8	179.2	-178.4	0	0	0	0	111.9	S10 L15 V16	S10-S12 PolarHBondContact O-N 3.01Å; S12-L15 PolarHBondContact O-N 3.41Å; S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 3.45Å
13	F	71.6	Confident	58.6	Low	141 Å²	141	112.7 Å²	112.7	62%	0.618	56%	0.558	S	S	*	*	H	α-helix	trans	-64.6	-41.6	174.1	-174.3	-101.6	0	0	0	111.3	I9 S10 L15 V16 V17	I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.32Å; S10-F13 PolarHBondContact O-N 3.46Å; F13-L15 PolarHBondContact O-N 3.12Å; F13-V16 PolarHBondContact O-N 3.32Å; F13-V17 HydrophobicContact CD1-CG2 3.85Å; F13-V17 HydrophobicContact CD2-CG2 4.44Å; F13-V17 HydrophobicContact CE1-CG2 3.56Å; F13-V17 HydrophobicContact CE2-CG2 4.18Å; F13-V17 HydrophobicContact CG-CG2 4.29Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 VanDerWaalsContact O-CB 3.27Å; F13-V17 WeakPolarHBondContact O-CB 3.44Å; F13-V17 WeakPolarHBondContact O-CG2 3.16Å; F13-V17 PolarHBondContact O-N 2.95Å
14	Y	73.3	Confident	58.9	Low	148 Å²	148	110.1 Å²	110.1	58%	0.58	56%	0.557	S	S	*	*	H	α-helix	trans	-63	-40.1	174.4	-88.2	-80	0	0	0	112	S10 I11 V17 V18	S10-Y14 WeakPolarHBondContact O-CB 3.35Å; S10-Y14 WeakPolarHBondContact O-CD2 3.33Å; S10-Y14 PolarHBondContact O-N 3.45Å; S10-Y14 WeakPolarHBondContact OG-CD2 3.39Å; S10-Y14 WeakPolarHBondContact OG-CE2 3.32Å; I11-Y14 PolarHBondContact O-N 3.24Å; Y14-V17 PolarHBondContact O-N 2.99Å; Y14-V18 VanDerWaalsContact O-CB 3.23Å; Y14-V18 WeakPolarHBondContact O-CB 3.16Å; Y14-V18 WeakPolarHBondContact O-CG2 3.27Å; Y14-V18 PolarHBondContact O-N 2.98Å
15	L	73	Confident	59	Low	90 Å²	90	108.9 Å²	108.9	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-65	-44.1	175.4	-82.7	165.8	0	0	0	111.9	I11 S12 F13 V18 L19	I11-L15 HydrophobicContact CG2-CD1 4.08Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å; S12-L15 PolarHBondContact O-N 3.41Å; F13-L15 PolarHBondContact O-N 3.12Å; L15-V18 PolarHBondContact O-N 2.85Å; L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.12Å; L15-L19 PolarHBondContact O-N 3.27Å
16	V	74.8	Confident	59.4	Low	71 Å²	71	103.5 Å²	103.5	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.7	173.2	0	0	0	0	110.5	S12 F13 L19 L20	S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 3.45Å; F13-V16 PolarHBondContact O-N 3.32Å; V16-L19 PolarHBondContact O-N 2.88Å; V16-L20 HydrophobicContact CG1-CD1 3.69Å; V16-L20 HydrophobicContact CG1-CG 4.2Å; V16-L20 WeakPolarHBondContact O-CB 3.44Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.21Å
17	V	72.2	Confident	59.6	Low	58 Å²	58	100.1 Å²	100.1	35%	0.352	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-38.2	175.5	170.4	0	0	0	0	111.1	F13 Y14 Y21	F13-V17 HydrophobicContact CD1-CG2 3.85Å; F13-V17 HydrophobicContact CD2-CG2 4.44Å; F13-V17 HydrophobicContact CE1-CG2 3.56Å; F13-V17 HydrophobicContact CE2-CG2 4.18Å; F13-V17 HydrophobicContact CG-CG2 4.29Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 VanDerWaalsContact O-CB 3.27Å; F13-V17 WeakPolarHBondContact O-CB 3.44Å; F13-V17 WeakPolarHBondContact O-CG2 3.16Å; F13-V17 PolarHBondContact O-N 2.95Å; Y14-V17 PolarHBondContact O-N 2.99Å; V17-Y21 WeakPolarHBondContact O-CA 3.38Å; V17-Y21 WeakPolarHBondContact O-CB 3.4Å; V17-Y21 PolarHBondContact O-N 3.48Å
18	V	67.4	Low	60.4	Low	71 Å²	71	99.7 Å²	99.7	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-71.6	-37.7	176.3	168.3	0	0	0	0	110.9	Y14 L15 K22	Y14-V18 VanDerWaalsContact O-CB 3.23Å; Y14-V18 WeakPolarHBondContact O-CB 3.16Å; Y14-V18 WeakPolarHBondContact O-CG2 3.27Å; Y14-V18 PolarHBondContact O-N 2.98Å; L15-V18 PolarHBondContact O-N 2.85Å; V18-K22 HydrophobicContact CG1-CD 4.45Å; V18-K22 WeakPolarHBondContact O-CB 3.41Å; V18-K22 WeakPolarHBondContact O-CG 3.47Å; V18-K22 PolarHBondContact O-N 2.73Å
19	L	62.9	Low	61.6	Low	115 Å²	115	94.6 Å²	94.6	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-67.9	-46.4	173.9	-77.9	166.6	0	0	0	111	L15 V16 Y21 K22 C23	L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.12Å; L15-L19 PolarHBondContact O-N 3.27Å; V16-L19 PolarHBondContact O-N 2.88Å; L19-Y21 VanDerWaalsContact C-N 3.34Å; L19-K22 CarbonylContact O-C 3.5Å; L19-K22 PolarHBondContact O-N 3.32Å; L19-C23 WeakPolarHBondContact O-CB 3.19Å; L19-C23 PolarHBondContact O-N 2.88Å
20	L	60.3	Low	63	Low	99 Å²	99	90.6 Å²	90.6	52%	0.518	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-41.3	173.5	-73.6	170.9	0	0	0	110.7	V16 C23 L24	V16-L20 HydrophobicContact CG1-CD1 3.69Å; V16-L20 HydrophobicContact CG1-CG 4.2Å; V16-L20 WeakPolarHBondContact O-CB 3.44Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.21Å; L20-C23 CarbonylContact O-C 3.54Å; L20-C23 PolarHBondContact O-N 3.43Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CD1 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.38Å; L20-L24 PolarHBondContact O-N 2.77Å
21	Y	59.3	Low	64.1	Low	130 Å²	130	95.2 Å²	95.2	51%	0.51	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-38	176.2	-174.6	-94.5	0	0	0	111.3	V17 L19 C23 L24 Q25	V17-Y21 WeakPolarHBondContact O-CA 3.38Å; V17-Y21 WeakPolarHBondContact O-CB 3.4Å; V17-Y21 PolarHBondContact O-N 3.48Å; L19-Y21 VanDerWaalsContact C-N 3.34Å; Y21-C23 VanDerWaalsContact C-N 3.32Å; Y21-L24 CarbonylContact O-C 3.58Å; Y21-L24 PolarHBondContact O-N 3.36Å; Y21-Q25 HydrophobicContact CD1-CG 4.01Å; Y21-Q25 HydrophobicContact CE1-CG 3.58Å; Y21-Q25 HydrophobicContact CE2-CG 4.41Å; Y21-Q25 WeakPolarHBondContact O-CA 3.2Å; Y21-Q25 WeakPolarHBondContact O-CB 3.37Å; Y21-Q25 WeakPolarHBondContact O-CG 3.31Å; Y21-Q25 PolarHBondContact O-N 3.5Å; Y21-Q25 PolarHBondContact OH-NE2 3.44Å
22	K	50	Low	65.1	Low	143 Å²	143	96.2 Å²	96.2	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-70.8	-26.7	170.5	-82.1	-172.8	176.4	-172.8	0	112.8	V18 L19 Q25 C26	V18-K22 HydrophobicContact CG1-CD 4.45Å; V18-K22 WeakPolarHBondContact O-CB 3.41Å; V18-K22 WeakPolarHBondContact O-CG 3.47Å; V18-K22 PolarHBondContact O-N 2.73Å; L19-K22 CarbonylContact O-C 3.5Å; L19-K22 PolarHBondContact O-N 3.32Å; K22-Q25 CarbonylContact O-C 3.52Å; K22-Q25 VanDerWaalsContact O-C 3.29Å; K22-C26 PolarHBondContact O-N 2.77Å
23	C	53.9	Low	66	Low	89 Å²	89	96.8 Å²	96.8	60%	0.601	49%	0.491	S	S	*	.	H	α-helix	trans	-79.9	-32.6	174.5	-152.5	0	0	0	0	110.8	L19 L20 Y21 C26	L19-C23 WeakPolarHBondContact O-CB 3.19Å; L19-C23 PolarHBondContact O-N 2.88Å; L20-C23 CarbonylContact O-C 3.54Å; L20-C23 PolarHBondContact O-N 3.43Å; Y21-C23 VanDerWaalsContact C-N 3.32Å; C23-C26 VanDerWaalsContact O-CB 3.26Å; C23-C26 WeakPolarHBondContact O-CB 3.33Å; C23-C26 PolarHBondContact O-N 3.43Å; C23-C26 PolarHBondContact O-SG 3.19Å
24	L	48.8	Very low	66.6	Low	138 Å²	138	98.5 Å²	98.5	72%	0.723	50%	0.498	S	S	*	.	H	α-helix	trans	-77.9	-29	171.2	-71	162.9	0	0	0	111.8	L20 Y21	L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CD1 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.38Å; L20-L24 PolarHBondContact O-N 2.77Å; Y21-L24 CarbonylContact O-C 3.58Å; Y21-L24 PolarHBondContact O-N 3.36Å
25	Q	40.7	Very low	67.1	Low	114 Å²	114	93.3 Å²	93.3	53%	0.533	48%	0.48	S	S	.	.	S	Bend	trans	-94.3	11.8	167.3	-75.9	-147	-25.9	0	0	112.6	Y21 K22 Q27	Y21-Q25 HydrophobicContact CD1-CG 4.01Å; Y21-Q25 HydrophobicContact CE1-CG 3.58Å; Y21-Q25 HydrophobicContact CE2-CG 4.41Å; Y21-Q25 WeakPolarHBondContact O-CA 3.2Å; Y21-Q25 WeakPolarHBondContact O-CB 3.37Å; Y21-Q25 WeakPolarHBondContact O-CG 3.31Å; Y21-Q25 PolarHBondContact O-N 3.5Å; Y21-Q25 PolarHBondContact OH-NE2 3.44Å; K22-Q25 CarbonylContact O-C 3.52Å; K22-Q25 VanDerWaalsContact O-C 3.29Å; Q25-Q27 PolarHBondContact O-N 3.19Å
26	C	51.7	Low	67.7	Low	74 Å²	74	89.5 Å²	89.5	50%	0.5	46%	0.46	S	S	.	.	S	Bend	trans	-47.6	127	151.5	-79.3	0	0	0	0	103.5	K22 C23 D28	K22-C26 PolarHBondContact O-N 2.77Å; C23-C26 VanDerWaalsContact O-CB 3.26Å; C23-C26 WeakPolarHBondContact O-CB 3.33Å; C23-C26 PolarHBondContact O-N 3.43Å; C23-C26 PolarHBondContact O-SG 3.19Å; C26-D28 PolarHBondContact O-N 3.26Å
27	Q	53.2	Low	68.2	Low	122 Å²	122	93.9 Å²	93.9	57%	0.57	48%	0.476	S	S	*	.			trans	-58.7	80.7	-178.7	-79.4	169.8	-48.4	0	0	107	Q25 V29 L35	Q25-Q27 PolarHBondContact O-N 3.19Å; Q27-V29 VanDerWaalsContact C-N 3.25Å; Q27-V29 PolarHBondContact O-N 2.85Å; Q27-L35 HydrophobicContact CB-CD1 4Å; Q27-L35 HydrophobicContact CG-CD1 3.97Å
28	D	69.5	Low	68.9	Low	68 Å²	68	95.8 Å²	95.8	36%	0.364	48%	0.478	S	S	.	.			trans	-76.2	99.2	179.1	-177.5	5.4	0	0	0	101.9	C26 C30 Q31 Q32	C26-D28 PolarHBondContact O-N 3.26Å; D28-C30 PolarHBondContact O-N 3.26Å; D28-C30 WeakPolarHBondContact OD1-CB 3.11Å; D28-C30 PolarHBondContact OD1-N 2.99Å; D28-C30 PolarHBondContact OD1-SG 2.89Å; D28-C30 VanDerWaalsContact OD1-SG 3.4Å; D28-Q31 HydrophobicContact CB-CB 4.33Å; D28-Q31 HydrophobicContact CB-CG 3.89Å; D28-Q31 WeakPolarHBondContact O-CA 3.21Å; D28-Q31 WeakPolarHBondContact O-CB 3.36Å; D28-Q31 PolarHBondContact O-N 3.35Å; D28-Q32 PolarHBondContact O-N 3.36Å
29	V	76.5	Confident	70	Confident	4 Å²	4	98.3 Å²	98.3	2%	0.024	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-30.2	173.9	165.4	0	0	0	0	110.2	Q27 Q31 Q32 P33 L36 Y54 F191 L198	Q27-V29 VanDerWaalsContact C-N 3.25Å; Q27-V29 PolarHBondContact O-N 2.85Å; V29-Q31 VanDerWaalsContact C-N 3.3Å; V29-Q31 PolarHBondContact O-N 2.94Å; V29-Q32 CarbonylContact O-C 3.54Å; V29-Q32 PolarHBondContact O-N 2.9Å; V29-P33 VanDerWaalsContact O-CA 3.25Å; V29-P33 WeakPolarHBondContact O-CA 2.95Å; V29-P33 WeakPolarHBondContact O-CD 3.29Å; V29-L36 HydrophobicContact CB-CD2 4.41Å; V29-L36 HydrophobicContact CB-CG 4.47Å; V29-L36 HydrophobicContact CG1-CD1 3.42Å; V29-L36 VanDerWaalsContact CG1-CD1 3.42Å; V29-L36 HydrophobicContact CG1-CD2 3.67Å; V29-L36 HydrophobicContact CG1-CG 3.37Å; V29-L36 HydrophobicContact CG2-CD2 3.83Å; V29-L36 HydrophobicContact CG2-CG 4.3Å; V29-Y54 HydrophobicContact CG2-CE1 3.87Å; V29-Y54 HydrophobicContact CG2-CE2 4.12Å; V29-Y54 VanDerWaalsContact CG2-CZ 3.43Å; V29-Y54 WeakPolarHBondContact CG2-OH 3.39Å; V29-F191 HydrophobicContact CB-CD2 4.45Å; V29-F191 HydrophobicContact CG1-CD2 3.99Å; V29-F191 HydrophobicContact CG1-CE2 4.48Å; V29-F191 HydrophobicContact CG1-CG 4.35Å; V29-F191 HydrophobicContact CG2-CE2 4.32Å; V29-F191 HydrophobicContact CG2-CZ 4.5Å; V29-L198 HydrophobicContact CG1-CB 4.23Å; V29-L198 HydrophobicContact CG1-CD1 3.73Å; V29-L198 VanDerWaalsContact O-CD1 3.31Å; V29-L198 WeakPolarHBondContact O-CD1 3.39Å
30	C	81.8	Confident	71.3	Confident	42 Å²	42	95.8 Å²	95.8	28%	0.284	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.1	174.1	-55.7	0	0	0	0	113.5	D28 C193	D28-C30 PolarHBondContact O-N 3.26Å; D28-C30 WeakPolarHBondContact OD1-CB 3.11Å; D28-C30 PolarHBondContact OD1-N 2.99Å; D28-C30 PolarHBondContact OD1-SG 2.89Å; D28-C30 VanDerWaalsContact OD1-SG 3.4Å; C30-C193 WeakPolarHBondContact CA-SG 3.38Å; C30-C193 HydrophobicContact CB-CB 3.74Å; C30-C193 WeakPolarHBondContact CB-SG 3.26Å; C30-C193 VanDerWaalsContact SG-CA 3.55Å; C30-C193 WeakPolarHBondContact SG-CB 3.21Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.8Å
31	Q	81.2	Confident	72.7	Confident	148 Å²	148	94.3 Å²	94.3	69%	0.692	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-29.3	173.8	-57.6	-56.9	-40.1	0	0	112.8	D28 V29	D28-Q31 HydrophobicContact CB-CB 4.33Å; D28-Q31 HydrophobicContact CB-CG 3.89Å; D28-Q31 WeakPolarHBondContact O-CA 3.21Å; D28-Q31 WeakPolarHBondContact O-CB 3.36Å; D28-Q31 PolarHBondContact O-N 3.35Å; V29-Q31 VanDerWaalsContact C-N 3.3Å; V29-Q31 PolarHBondContact O-N 2.94Å
32	Q	81	Confident	73.9	Confident	110 Å²	110	88.3 Å²	88.3	51%	0.514	44%	0.441	S	S	.	.			trans	-131	70.6	179.6	-60.5	-174.4	11.1	0	0	112.4	D28 V29 K34 L35	D28-Q32 PolarHBondContact O-N 3.36Å; V29-Q32 CarbonylContact O-C 3.54Å; V29-Q32 PolarHBondContact O-N 2.9Å; Q32-K34 PolarHBondContact O-N 3.17Å; Q32-L35 HydrophobicContact CB-CD1 3.77Å; Q32-L35 HydrophobicContact CB-CG 3.87Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 WeakPolarHBondContact O-CG 3.17Å; Q32-L35 PolarHBondContact O-N 3Å
33	P	83.4	Confident	75.6	Confident	57 Å²	57	83 Å²	83	37%	0.37	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-58.6	-27	-175.8	-26.4	34.6	0	0	0	114	V29 L35 L36 L198	V29-P33 VanDerWaalsContact O-CA 3.25Å; V29-P33 WeakPolarHBondContact O-CA 2.95Å; V29-P33 WeakPolarHBondContact O-CD 3.29Å; P33-L35 PolarHBondContact O-N 3.43Å; P33-L35 VanDerWaalsContact O-N 3.16Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 2.91Å; P33-L36 VanDerWaalsContact O-N 3.13Å; P33-L198 HydrophobicContact CB-CD1 3.84Å; P33-L198 HydrophobicContact CB-CD2 3.97Å; P33-L198 HydrophobicContact CG-CD1 3.78Å; P33-L198 HydrophobicContact CG-CD2 4.32Å
34	K	83.9	Confident	77.3	Confident	177 Å²	177	81.9 Å²	81.9	77%	0.77	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-59	-24.6	177.5	-64	-175.1	-179.5	-179	0	113.3	Q32 L36 Q37	Q32-K34 PolarHBondContact O-N 3.17Å; K34-L36 PolarHBondContact O-N 3.33Å; K34-Q37 PolarHBondContact O-N 2.9Å
35	L	83	Confident	79.3	Confident	39 Å²	39	78 Å²	78	20%	0.204	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.6	-32.4	177.9	-66.5	178.8	0	0	0	112.1	Q27 Q32 P33 Q37 Y38 Y54	Q27-L35 HydrophobicContact CB-CD1 4Å; Q27-L35 HydrophobicContact CG-CD1 3.97Å; Q32-L35 HydrophobicContact CB-CD1 3.77Å; Q32-L35 HydrophobicContact CB-CG 3.87Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 WeakPolarHBondContact O-CG 3.17Å; Q32-L35 PolarHBondContact O-N 3Å; P33-L35 PolarHBondContact O-N 3.43Å; P33-L35 VanDerWaalsContact O-N 3.16Å; L35-Q37 PolarHBondContact O-N 3.45Å; L35-Y38 WeakPolarHBondContact O-CB 3.28Å; L35-Y38 PolarHBondContact O-N 3.31Å; L35-Y54 HydrophobicContact CB-CD2 4.04Å; L35-Y54 HydrophobicContact CB-CE2 4.05Å; L35-Y54 WeakPolarHBondContact O-CB 3.41Å; L35-Y54 WeakPolarHBondContact O-CD2 3.43Å
36	L	86.3	Confident	81.7	Confident	10 Å²	10	80.1 Å²	80.1	5%	0.052	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-65.1	-21.3	177.8	-72.2	-173.4	0	0	0	114.3	V29 P33 K34 Y38 Y54 F191 L198 S200	V29-L36 HydrophobicContact CB-CD2 4.41Å; V29-L36 HydrophobicContact CB-CG 4.47Å; V29-L36 HydrophobicContact CG1-CD1 3.42Å; V29-L36 VanDerWaalsContact CG1-CD1 3.42Å; V29-L36 HydrophobicContact CG1-CD2 3.67Å; V29-L36 HydrophobicContact CG1-CG 3.37Å; V29-L36 HydrophobicContact CG2-CD2 3.83Å; V29-L36 HydrophobicContact CG2-CG 4.3Å; P33-L36 WeakPolarHBondContact O-CB 3.29Å; P33-L36 PolarHBondContact O-N 2.91Å; P33-L36 VanDerWaalsContact O-N 3.13Å; K34-L36 PolarHBondContact O-N 3.33Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y54 HydrophobicContact CD2-CD1 3.43Å; L36-Y54 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y54 HydrophobicContact CD2-CE1 3.6Å; L36-Y54 HydrophobicContact CD2-CG 4.02Å; L36-F191 HydrophobicContact CD1-CD2 4.26Å; L36-F191 HydrophobicContact CD2-CD2 4.03Å; L36-F191 HydrophobicContact CD2-CE2 3.66Å; L36-L198 HydrophobicContact CD1-CB 3.69Å; L36-S200 PolarHBondContact O-OG 2.93Å
37	Q	86.2	Confident	83.7	Confident	163 Å²	163	79.3 Å²	79.3	76%	0.762	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-93.1	1.8	178.2	-62.1	-179.5	-15.3	0	0	111.9	K34 L35 E39	K34-Q37 PolarHBondContact O-N 2.9Å; L35-Q37 PolarHBondContact O-N 3.45Å; Q37-E39 PolarHBondContact O-N 2.91Å
38	Y	87.1	Confident	85.6	Confident	99 Å²	99	75.2 Å²	75.2	39%	0.388	38%	0.378	S	S	.	.			trans	-63.1	113.8	178.1	177.6	-102.9	0	0	0	109.6	L35 L36 K40 H52 H53 Y54	L35-Y38 WeakPolarHBondContact O-CB 3.28Å; L35-Y38 PolarHBondContact O-N 3.31Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-K40 HydrophobicContact CE2-CB 4.42Å; Y38-H52 HydrophobicContact CE1-CB 3.77Å; Y38-H53 CarbonylContact O-C 3.54Å; Y38-H53 VanDerWaalsContact O-CA 3.24Å; Y38-H53 WeakPolarHBondContact O-CA 3.4Å; Y38-Y54 PolarHBondContact O-N 3.29Å; Y38-Y54 VanDerWaalsContact O-N 3.14Å
39	E	90.5	Very high	86.8	Confident	123 Å²	123	72.5 Å²	72.5	58%	0.575	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.9	171.2	174.4	175.1	-176.3	0	0	108.1	Q37 H52 H53	Q37-E39 PolarHBondContact O-N 2.91Å; E39-H52 CarbonylContact C-O 3.59Å; E39-H52 VanDerWaalsContact CA-O 3.28Å; E39-H52 WeakPolarHBondContact CA-O 3.42Å; E39-H53 IonicContact OE1-CE1 3.53Å
40	K	88.5	Confident	87.5	Confident	62 Å²	62	72.8 Å²	72.8	27%	0.27	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	114.8	176.3	-170.5	178.5	-178.3	177.8	0	110.6	Y38 I42 S51 H52 N249	Y38-K40 HydrophobicContact CE2-CB 4.42Å; K40-I42 HydrophobicContact CB-CD1 4.39Å; K40-I42 HydrophobicContact CD-CD1 3.97Å; K40-I42 HydrophobicContact CG-CD1 3.94Å; K40-I42 PolarHBondContact O-N 3.48Å; K40-S51 CarbonylContact O-C 3.17Å; K40-S51 WeakPolarHBondContact O-CA 3.11Å; K40-S51 WeakPolarHBondContact O-CB 3.4Å; K40-H52 PolarHBondContact N-O 2.97Å; K40-H52 PolarHBondContact O-N 3.38Å; K40-N249 PolarHBondContact NZ-O 3.01Å
41	V	89.8	Confident	88	Confident	69 Å²	69	70.8 Å²	70.8	42%	0.418	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.7	169.4	179.8	0	0	0	0	108.6	V44 L49	V41-V44 HydrophobicContact CG1-CB 4.15Å; V41-V44 HydrophobicContact CG1-CG1 4.16Å; V41-L49 HydrophobicContact CG1-CD1 3.79Å; V41-L49 HydrophobicContact CG2-CD1 4.41Å
42	I	85.4	Confident	88.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-44.6	-179	-55.1	-57.3	0	0	0	109.9	K40 Y50 H52 N249 T251 I253 N266	K40-I42 HydrophobicContact CB-CD1 4.39Å; K40-I42 HydrophobicContact CD-CD1 3.97Å; K40-I42 HydrophobicContact CG-CD1 3.94Å; K40-I42 PolarHBondContact O-N 3.48Å; I42-Y50 HydrophobicContact CB-CD1 3.56Å; I42-Y50 HydrophobicContact CB-CE1 4.04Å; I42-Y50 HydrophobicContact CB-CG 4.35Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.07Å; I42-Y50 HydrophobicContact CG2-CD1 3.66Å; I42-Y50 HydrophobicContact CG2-CE1 3.91Å; I42-Y50 PolarHBondContact N-O 3.44Å; I42-H52 WeakPolarHBondContact CD1-ND1 3.16Å; I42-N249 PolarHBondContact O-ND2 2.92Å; I42-T251 HydrophobicContact CD1-CG2 4Å; I42-T251 HydrophobicContact CG2-CG2 4.41Å; I42-I253 HydrophobicContact CG2-CG2 3.63Å; I42-N266 PolarHBondContact O-OD1 2.91Å
43	Y	84.8	Confident	88.9	Confident	30 Å²	30	58.8 Å²	58.8	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	142.4	179.3	179	-115.3	0	0	0	110.3	N45 F48 Y50 Y262 E265	Y43-N45 HydrophobicContact CE1-CB 4.36Å; Y43-N45 WeakPolarHBondContact CE1-ND2 3.18Å; Y43-N45 PolarHBondContact OH-ND2 3.01Å; Y43-F48 AromaticContact CD1-CD1 3.45Å; Y43-F48 HydrophobicContact CD1-CD1 3.45Å; Y43-F48 VanDerWaalsContact CD1-CD1 3.45Å; Y43-F48 AromaticContact CD1-CE1 3.76Å; Y43-F48 HydrophobicContact CD1-CE1 3.76Å; Y43-F48 AromaticContact CE1-CD1 3.8Å; Y43-F48 HydrophobicContact CE1-CD1 3.8Å; Y43-F48 HydrophobicContact CE1-CE1 4.43Å; Y43-Y50 PolarHBondContact N-O 3.41Å; Y43-Y50 VanDerWaalsContact N-O 3.15Å; Y43-Y50 PolarHBondContact O-N 3.13Å; Y43-Y262 HydrophobicContact CD1-CD2 4.42Å; Y43-Y262 HydrophobicContact CD1-CG 4.23Å; Y43-Y262 HydrophobicContact CE1-CG 4.44Å; Y43-Y262 HydrophobicContact CG-CD2 4.33Å; Y43-Y262 HydrophobicContact CG-CG 4.43Å; Y43-E265 WeakPolarHBondContact CE2-OE2 3.32Å
44	V	90	Very high	89.1	Confident	67 Å²	67	57.3 Å²	57.3	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.3	175.9	62.6	0	0	0	0	109.6	V41 F48 L49 W208	V41-V44 HydrophobicContact CG1-CB 4.15Å; V41-V44 HydrophobicContact CG1-CG1 4.16Å; V44-F48 CarbonylContact C-O 3.46Å; V44-F48 WeakPolarHBondContact CA-O 3.2Å; V44-L49 HydrophobicContact CB-CD1 3.76Å; V44-L49 HydrophobicContact CG2-CB 4.47Å; V44-L49 HydrophobicContact CG2-CD1 3.78Å; V44-W208 HydrophobicContact CG2-CZ2 3.98Å
45	N	91.3	Very high	89.4	Confident	55 Å²	55	49.6 Å²	49.6	29%	0.294	25%	0.249	S	C	.	.			trans	-137.2	-166.6	166.6	69.2	30.6	0	0	0	109.2	Y43 S47 F48 W208	Y43-N45 HydrophobicContact CE1-CB 4.36Å; Y43-N45 WeakPolarHBondContact CE1-ND2 3.18Å; Y43-N45 PolarHBondContact OH-ND2 3.01Å; N45-S47 VanDerWaalsContact C-N 3.26Å; N45-S47 PolarHBondContact O-N 3.36Å; N45-S47 PolarHBondContact OD1-N 3.49Å; N45-S47 PolarHBondContact OD1-OG 3.47Å; N45-F48 PolarHBondContact N-O 2.91Å; N45-F48 WeakPolarHBondContact OD1-CB 3.49Å; N45-F48 PolarHBondContact OD1-N 3.37Å; N45-W208 WeakPolarHBondContact O-CH2 3.1Å
46	D	91.4	Very high	89.8	Confident	160 Å²	160	47.8 Å²	47.8	86%	0.856	24%	0.239	S	C	*	.	S	Bend	trans	-67.7	-22.1	-176.1	-65.3	-25.4	0	0	0	114.4	L62	D46-L62 WeakPolarHBondContact O-CD1 3.12Å
47	S	93.3	Very high	90.1	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	24%	0.237	S	C	.	.	S	Bend	trans	-126.3	-1.8	-174.6	62.9	0	0	0	0	115.3	N45 L62	N45-S47 VanDerWaalsContact C-N 3.26Å; N45-S47 PolarHBondContact O-N 3.36Å; N45-S47 PolarHBondContact OD1-N 3.49Å; N45-S47 PolarHBondContact OD1-OG 3.47Å; S47-L62 PolarHBondContact O-N 3.5Å
48	F	93.5	Very high	90.5	Very high	36 Å²	36	39.6 Å²	39.6	16%	0.158	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.1	-175.8	-174.7	-92.8	0	0	0	112.1	Y43 V44 N45 R59 I60 T61 W208	Y43-F48 AromaticContact CD1-CD1 3.45Å; Y43-F48 HydrophobicContact CD1-CD1 3.45Å; Y43-F48 VanDerWaalsContact CD1-CD1 3.45Å; Y43-F48 AromaticContact CD1-CE1 3.76Å; Y43-F48 HydrophobicContact CD1-CE1 3.76Å; Y43-F48 AromaticContact CE1-CD1 3.8Å; Y43-F48 HydrophobicContact CE1-CD1 3.8Å; Y43-F48 HydrophobicContact CE1-CE1 4.43Å; V44-F48 CarbonylContact C-O 3.46Å; V44-F48 WeakPolarHBondContact CA-O 3.2Å; N45-F48 PolarHBondContact N-O 2.91Å; N45-F48 WeakPolarHBondContact OD1-CB 3.49Å; N45-F48 PolarHBondContact OD1-N 3.37Å; F48-R59 HydrophobicContact CZ-CG 4.35Å; F48-I60 CarbonylContact C-O 3.55Å; F48-I60 VanDerWaalsContact CA-O 3.27Å; F48-I60 WeakPolarHBondContact CA-O 3.41Å; F48-T61 HydrophobicContact CD2-CG2 3.47Å; F48-T61 VanDerWaalsContact CD2-CG2 3.47Å; F48-T61 HydrophobicContact CE2-CG2 3.74Å; F48-W208 WeakPolarHBondContact O-CH2 3.2Å
49	L	93.5	Very high	90.8	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.9	169.1	174.2	67.7	0	0	0	109.1	V41 V44 M58 R59 I60 P205 W208	V41-L49 HydrophobicContact CG1-CD1 3.79Å; V41-L49 HydrophobicContact CG2-CD1 4.41Å; V44-L49 HydrophobicContact CB-CD1 3.76Å; V44-L49 HydrophobicContact CG2-CB 4.47Å; V44-L49 HydrophobicContact CG2-CD1 3.78Å; L49-M58 HydrophobicContact CD2-CE 4.1Å; L49-R59 CarbonylContact O-C 3.55Å; L49-R59 VanDerWaalsContact O-CA 3.28Å; L49-R59 WeakPolarHBondContact O-CA 3.45Å; L49-I60 HydrophobicContact CB-CB 4.13Å; L49-I60 HydrophobicContact CB-CG1 4.33Å; L49-I60 HydrophobicContact CD2-CD1 3.79Å; L49-I60 HydrophobicContact CD2-CG1 4.25Å; L49-I60 PolarHBondContact N-O 3.28Å; L49-I60 PolarHBondContact O-N 3.33Å; L49-P205 HydrophobicContact CD2-CG 4.24Å; L49-W208 HydrophobicContact CB-CH2 4.07Å; L49-W208 HydrophobicContact CB-CZ2 3.72Å
50	Y	91.4	Very high	91.1	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.9	168.2	178.7	-129.2	0	0	0	110	I42 Y43 H52 T57 M58 R59 I253 D254	I42-Y50 HydrophobicContact CB-CD1 3.56Å; I42-Y50 HydrophobicContact CB-CE1 4.04Å; I42-Y50 HydrophobicContact CB-CG 4.35Å; I42-Y50 HydrophobicContact CG1-CD1 4Å; I42-Y50 HydrophobicContact CG1-CE1 4.07Å; I42-Y50 HydrophobicContact CG2-CD1 3.66Å; I42-Y50 HydrophobicContact CG2-CE1 3.91Å; I42-Y50 PolarHBondContact N-O 3.44Å; Y43-Y50 PolarHBondContact N-O 3.41Å; Y43-Y50 VanDerWaalsContact N-O 3.15Å; Y43-Y50 PolarHBondContact O-N 3.13Å; Y50-H52 AromaticContact CE1-NE2 3.5Å; Y50-H52 AromaticContact CZ-CD2 3.76Å; Y50-H52 AromaticContact CZ-NE2 3.31Å; Y50-H52 VanDerWaalsContact CZ-NE2 3.31Å; Y50-H52 PolarHBondContact OH-NE2 2.68Å; Y50-T57 HydrophobicContact CE2-CG2 4.27Å; Y50-M58 WeakPolarHBondContact CA-O 3.25Å; Y50-R59 HydrophobicContact CD2-CG 3.39Å; Y50-R59 HydrophobicContact CE2-CG 3.95Å; Y50-R59 HydrophobicContact CG-CG 4.3Å; Y50-I253 HydrophobicContact CE1-CB 4.27Å; Y50-I253 HydrophobicContact CE1-CG2 4.04Å; Y50-D254 PolarHBondContact OH-OD2 2.76Å
51	S	91.6	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	151.5	-178.1	55.1	0	0	0	0	111.3	K40 H53 T57 M58	K40-S51 CarbonylContact O-C 3.17Å; K40-S51 WeakPolarHBondContact O-CA 3.11Å; K40-S51 WeakPolarHBondContact O-CB 3.4Å; S51-H53 PolarHBondContact OG-NE2 2.75Å; S51-T57 CarbonylContact O-C 3.5Å; S51-T57 WeakPolarHBondContact O-CA 3.31Å; S51-M58 PolarHBondContact N-O 3.45Å; S51-M58 PolarHBondContact O-N 2.69Å; S51-M58 WeakPolarHBondContact OG-CE 3.48Å
52	H	90.1	Very high	91.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.9	172.9	-62.8	172.4	0	0	0	109.1	Y38 E39 K40 I42 Y50 M220 A225	Y38-H52 HydrophobicContact CE1-CB 3.77Å; E39-H52 CarbonylContact C-O 3.59Å; E39-H52 VanDerWaalsContact CA-O 3.28Å; E39-H52 WeakPolarHBondContact CA-O 3.42Å; K40-H52 PolarHBondContact N-O 2.97Å; K40-H52 PolarHBondContact O-N 3.38Å; I42-H52 WeakPolarHBondContact CD1-ND1 3.16Å; Y50-H52 AromaticContact CE1-NE2 3.5Å; Y50-H52 AromaticContact CZ-CD2 3.76Å; Y50-H52 AromaticContact CZ-NE2 3.31Å; Y50-H52 VanDerWaalsContact CZ-NE2 3.31Å; Y50-H52 PolarHBondContact OH-NE2 2.68Å; H52-M220 HydrophobicContact CB-CE 3.89Å; H52-A225 WeakPolarHBondContact CE1-CB 3.32Å; H52-A225 WeakPolarHBondContact NE2-CB 3.35Å
53	H	91.9	Very high	92.3	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.028	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171.4	177	-64.9	-91.8	0	0	0	109.3	Y38 E39 S51 N55 Y56 T202 M220	Y38-H53 CarbonylContact O-C 3.54Å; Y38-H53 VanDerWaalsContact O-CA 3.24Å; Y38-H53 WeakPolarHBondContact O-CA 3.4Å; E39-H53 IonicContact OE1-CE1 3.53Å; S51-H53 PolarHBondContact OG-NE2 2.75Å; H53-N55 PolarHBondContact O-N 3.33Å; H53-N55 VanDerWaalsContact O-N 3.13Å; H53-Y56 CarbonylContact C-O 3.46Å; H53-Y56 WeakPolarHBondContact CA-O 3.25Å; H53-Y56 WeakPolarHBondContact CB-O 3.26Å; H53-Y56 PolarHBondContact N-O 2.8Å; H53-Y56 PolarHBondContact O-N 3.18Å; H53-T202 HydrophobicContact CB-CG2 4.23Å; H53-T202 WeakPolarHBondContact ND1-CG2 3.28Å; H53-M220 WeakPolarHBondContact O-CE 3.03Å
54	Y	87.8	Confident	92.8	Very high	25 Å²	25	32.2 Å²	32.2	10%	0.098	17%	0.172	C	C	.	.	S	Bend	trans	-56	122.5	169.4	-177.1	-106.7	0	0	0	110.7	V29 L35 L36 Y38 Y56 Y91 F191	V29-Y54 HydrophobicContact CG2-CE1 3.87Å; V29-Y54 HydrophobicContact CG2-CE2 4.12Å; V29-Y54 VanDerWaalsContact CG2-CZ 3.43Å; V29-Y54 WeakPolarHBondContact CG2-OH 3.39Å; L35-Y54 HydrophobicContact CB-CD2 4.04Å; L35-Y54 HydrophobicContact CB-CE2 4.05Å; L35-Y54 WeakPolarHBondContact O-CB 3.41Å; L35-Y54 WeakPolarHBondContact O-CD2 3.43Å; L36-Y54 HydrophobicContact CD2-CD1 3.43Å; L36-Y54 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y54 HydrophobicContact CD2-CE1 3.6Å; L36-Y54 HydrophobicContact CD2-CG 4.02Å; Y38-Y54 PolarHBondContact O-N 3.29Å; Y38-Y54 VanDerWaalsContact O-N 3.14Å; Y54-Y56 PolarHBondContact O-N 2.75Å; Y54-Y91 AromaticContact CD1-CD1 3.83Å; Y54-Y91 HydrophobicContact CD1-CD1 3.83Å; Y54-Y91 AromaticContact CD1-CE1 3.76Å; Y54-Y91 HydrophobicContact CD1-CE1 3.76Å; Y54-Y91 AromaticContact CE1-CD1 3.91Å; Y54-Y91 HydrophobicContact CE1-CD1 3.91Å; Y54-Y91 HydrophobicContact CE1-CE1 4.32Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.26Å; Y54-F191 HydrophobicContact CE1-CE2 4.24Å; Y54-F191 HydrophobicContact CE1-CZ 4.2Å
55	N	89.5	Confident	93	Very high	16 Å²	16	33.7 Å²	33.7	9%	0.086	18%	0.183	C	C	.	.	S	Bend	trans	62.1	-10.4	-179.7	-160.3	62.5	0	0	0	118	H53 Y91 E92 P219 M220	H53-N55 PolarHBondContact O-N 3.33Å; H53-N55 VanDerWaalsContact O-N 3.13Å; N55-Y91 HydrophobicContact CB-CD1 3.6Å; N55-Y91 HydrophobicContact CB-CE1 3.95Å; N55-Y91 VanDerWaalsContact ND2-CA 3.31Å; N55-Y91 WeakPolarHBondContact ND2-CA 3.38Å; N55-E92 VanDerWaalsContact OD1-CG 3.25Å; N55-E92 WeakPolarHBondContact OD1-CG 3.16Å; N55-P219 CarbonylContact O-C 3.6Å; N55-P219 WeakPolarHBondContact O-CA 3.44Å; N55-M220 WeakPolarHBondContact O-CB 3.04Å; N55-M220 PolarHBondContact O-N 3.39Å
56	Y	92.9	Very high	93.1	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.5	-179.2	-74.7	-85.7	0	0	0	111.8	H53 Y54 Y90 Y91 E218 P219 M220	H53-Y56 CarbonylContact C-O 3.46Å; H53-Y56 WeakPolarHBondContact CA-O 3.25Å; H53-Y56 WeakPolarHBondContact CB-O 3.26Å; H53-Y56 PolarHBondContact N-O 2.8Å; H53-Y56 PolarHBondContact O-N 3.18Å; Y54-Y56 PolarHBondContact O-N 2.75Å; Y56-Y90 WeakPolarHBondContact OH-CD2 3.27Å; Y56-Y91 HydrophobicContact CD2-CD1 4.44Å; Y56-Y91 AromaticContact CD2-CE1 4Å; Y56-Y91 HydrophobicContact CD2-CE1 4Å; Y56-Y91 HydrophobicContact CD2-CE2 4.12Å; Y56-Y91 AromaticContact CD2-CZ 3.85Å; Y56-Y91 HydrophobicContact CE2-CD1 4.22Å; Y56-Y91 AromaticContact CE2-CD2 3.76Å; Y56-Y91 HydrophobicContact CE2-CD2 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 4.12Å; Y56-Y91 AromaticContact CE2-CE2 3.68Å; Y56-Y91 HydrophobicContact CE2-CE2 3.68Å; Y56-Y91 HydrophobicContact CE2-CG 4.06Å; Y56-Y91 AromaticContact CE2-CZ 3.88Å; Y56-Y91 PolarHBondContact OH-N 3.07Å; Y56-E218 CarbonylContact C-O 3.6Å; Y56-E218 WeakPolarHBondContact CA-O 3.15Å; Y56-P219 HydrophobicContact CE1-CG 4.15Å; Y56-M220 WeakPolarHBondContact O-CE 3.35Å
57	T	91.8	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.9	155.5	68.6	0	0	0	0	108.7	Y50 S51 Y217 E218 M220 A225	Y50-T57 HydrophobicContact CE2-CG2 4.27Å; S51-T57 CarbonylContact O-C 3.5Å; S51-T57 WeakPolarHBondContact O-CA 3.31Å; T57-Y217 VanDerWaalsContact O-CA 3.23Å; T57-Y217 WeakPolarHBondContact O-CA 3.49Å; T57-E218 PolarHBondContact N-O 3.37Å; T57-E218 PolarHBondContact O-N 2.98Å; T57-E218 VanDerWaalsContact O-N 3.08Å; T57-M220 HydrophobicContact CG2-CE 3.98Å; T57-M220 HydrophobicContact CG2-SD 3.66Å; T57-A225 HydrophobicContact CG2-CB 4.4Å
58	M	94.6	Very high	93	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126	174.5	-179.8	178.2	68.6	0	0	109.3	L49 Y50 S51 I60 T202 V215 E216 Y217	L49-M58 HydrophobicContact CD2-CE 4.1Å; Y50-M58 WeakPolarHBondContact CA-O 3.25Å; S51-M58 PolarHBondContact N-O 3.45Å; S51-M58 PolarHBondContact O-N 2.69Å; S51-M58 WeakPolarHBondContact OG-CE 3.48Å; M58-I60 HydrophobicContact CE-CD1 4.19Å; M58-I60 HydrophobicContact CG-CG1 4.28Å; M58-I60 HydrophobicContact SD-CD1 4.28Å; M58-I60 HydrophobicContact SD-CG1 4.44Å; M58-T202 HydrophobicContact SD-CG2 4.27Å; M58-V215 HydrophobicContact CG-CG1 4.13Å; M58-V215 HydrophobicContact SD-CG1 4.3Å; M58-E216 CarbonylContact C-O 3.57Å; M58-E216 WeakPolarHBondContact CA-O 3.31Å; M58-Y217 HydrophobicContact CB-CD1 3.83Å; M58-Y217 HydrophobicContact CB-CE1 3.75Å; M58-Y217 HydrophobicContact CG-CD1 3.94Å; M58-Y217 HydrophobicContact CG-CE1 3.5Å; M58-Y217 HydrophobicContact SD-CE1 3.52Å; M58-Y217 VanDerWaalsContact SD-CE1 3.52Å
59	R	93.9	Very high	92.3	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.038	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.8	170.2	-73.8	176.5	-74.8	-179.7	-6.3	109.8	F48 L49 Y50 V215 E216 E218 Y256	F48-R59 HydrophobicContact CZ-CG 4.35Å; L49-R59 CarbonylContact O-C 3.55Å; L49-R59 VanDerWaalsContact O-CA 3.28Å; L49-R59 WeakPolarHBondContact O-CA 3.45Å; Y50-R59 HydrophobicContact CD2-CG 3.39Å; Y50-R59 HydrophobicContact CE2-CG 3.95Å; Y50-R59 HydrophobicContact CG-CG 4.3Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 WeakPolarHBondContact O-CA 3.36Å; R59-E216 HydrophobicContact CB-CB 4.4Å; R59-E216 PolarHBondContact N-O 2.9Å; R59-E216 PolarHBondContact O-N 2.9Å; R59-E218 IonicContact CZ-OE1 2.66Å; R59-E218 IonicContact NH2-OE1 2.6Å; R59-E218 PolarHBondContact NH2-OE1 3.26Å; R59-E218 IonicContact NH2-OE2 2.7Å; R59-E218 PolarHBondContact NH2-OE2 3.32Å; R59-Y256 VanDerWaalsContact NH1-CD1 3.29Å
60	I	96.8	Very high	91.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127	171.5	-46.9	-173.5	0	0	0	108.2	F48 L49 M58 V204 W208 T213 L214 V215	F48-I60 CarbonylContact C-O 3.55Å; F48-I60 VanDerWaalsContact CA-O 3.27Å; F48-I60 WeakPolarHBondContact CA-O 3.41Å; L49-I60 HydrophobicContact CB-CB 4.13Å; L49-I60 HydrophobicContact CB-CG1 4.33Å; L49-I60 HydrophobicContact CD2-CD1 3.79Å; L49-I60 HydrophobicContact CD2-CG1 4.25Å; L49-I60 PolarHBondContact N-O 3.28Å; L49-I60 PolarHBondContact O-N 3.33Å; M58-I60 HydrophobicContact CE-CD1 4.19Å; M58-I60 HydrophobicContact CG-CG1 4.28Å; M58-I60 HydrophobicContact SD-CD1 4.28Å; M58-I60 HydrophobicContact SD-CG1 4.44Å; I60-V204 HydrophobicContact CD1-CG1 3.94Å; I60-W208 HydrophobicContact CB-CD2 4.38Å; I60-W208 HydrophobicContact CB-CE3 4.14Å; I60-W208 HydrophobicContact CD1-CB 4.12Å; I60-W208 HydrophobicContact CD1-CD2 4.42Å; I60-W208 HydrophobicContact CD1-CG 3.99Å; I60-W208 HydrophobicContact CG2-CB 3.98Å; I60-W208 HydrophobicContact CG2-CD2 3.98Å; I60-W208 HydrophobicContact CG2-CE3 3.59Å; I60-W208 HydrophobicContact CG2-CG 4.14Å; I60-W208 HydrophobicContact CG2-CZ3 4.41Å; I60-T213 HydrophobicContact CG2-CG2 3.51Å; I60-L214 CarbonylContact C-O 3.54Å; I60-L214 WeakPolarHBondContact CA-O 3.42Å; I60-V215 HydrophobicContact CD1-CG2 4.28Å; I60-V215 HydrophobicContact CG1-CG1 4.34Å; I60-V215 HydrophobicContact CG1-CG2 4.09Å; I60-V215 HydrophobicContact CG2-CG2 4.05Å
61	T	96.3	Very high	91	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132	178.1	42.7	0	0	0	0	109.4	F48 Q64 T213 L214	F48-T61 HydrophobicContact CD2-CG2 3.47Å; F48-T61 VanDerWaalsContact CD2-CG2 3.47Å; F48-T61 HydrophobicContact CE2-CG2 3.74Å; T61-Q64 VanDerWaalsContact OG1-CG 3.24Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.08Å; T61-T213 WeakPolarHBondContact O-CA 3.48Å; T61-L214 PolarHBondContact N-O 2.96Å; T61-L214 PolarHBondContact O-N 2.8Å; T61-L214 PolarHBondContact OG1-O 2.79Å
62	L	96.4	Very high	90.9	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	26%	0.259	C	S	.	.	S	Bend	trans	-88.5	162.2	174	-60.1	-172.7	0	0	0	111.7	D46 S47 Q64 W208 K210 G212 T213	D46-L62 WeakPolarHBondContact O-CD1 3.12Å; S47-L62 PolarHBondContact O-N 3.5Å; L62-Q64 PolarHBondContact O-N 3.03Å; L62-Q64 PolarHBondContact O-NE2 3.31Å; L62-W208 HydrophobicContact CD1-CE3 4.36Å; L62-W208 HydrophobicContact CD1-CZ3 4.16Å; L62-W208 HydrophobicContact CD2-CE3 3.67Å; L62-W208 HydrophobicContact CD2-CZ3 4.12Å; L62-W208 HydrophobicContact CG-CE3 3.89Å; L62-W208 HydrophobicContact CG-CZ3 3.79Å; L62-K210 VanDerWaalsContact CD2-CE 3.44Å; L62-K210 HydrophobicContact CD2-CG 4.42Å; L62-G212 CarbonylContact C-O 3.56Å; L62-T213 HydrophobicContact CD2-CG2 3.93Å; L62-T213 WeakPolarHBondContact CD2-OG1 3.49Å
63	N	95.5	Very high	91.1	Very high	134 Å²	134	50.9 Å²	50.9	72%	0.717	27%	0.268	S	S	*	.	S	Bend	trans	56	34.6	173.7	-49.7	-41.3	0	0	0	113.5	G212	N63-G212 WeakPolarHBondContact CA-O 3.33Å; N63-G212 PolarHBondContact N-O 3.49Å
64	Q	95.5	Very high	91.2	Very high	65 Å²	65	58.4 Å²	58.4	30%	0.304	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-86.2	147.8	176.2	-61.5	-51.8	-64.7	0	0	110.8	T61 L62 Y170 G212 L214	T61-Q64 VanDerWaalsContact OG1-CG 3.24Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.08Å; L62-Q64 PolarHBondContact O-N 3.03Å; L62-Q64 PolarHBondContact O-NE2 3.31Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.45Å; Q64-Y170 PolarHBondContact O-OH 3.2Å; Q64-G212 PolarHBondContact N-O 3.15Å; Q64-L214 HydrophobicContact CB-CB 3.95Å; Q64-L214 HydrophobicContact CB-CD2 4.49Å; Q64-L214 HydrophobicContact CG-CB 3.88Å; Q64-L214 HydrophobicContact CG-CD2 4.36Å
65	P	94.7	Very high	91.5	Very high	97 Å²	97	64 Å²	64	63%	0.63	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-69.7	162.4	165.7	32.4	-35	0	0	0	110.6	P67	P65-P67 WeakPolarHBondContact O-CD 3.33Å
66	N	93.5	Very high	91.6	Very high	43 Å²	43	64.3 Å²	64.3	23%	0.23	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-59.2	120.4	171.7	-167.9	-29.3	0	0	0	109.3	L68 F158 Y170 E172	N66-L68 PolarHBondContact O-N 2.66Å; N66-L68 WeakPolarHBondContact OD1-CB 3.44Å; N66-L68 PolarHBondContact OD1-N 2.74Å; N66-F158 VanDerWaalsContact ND2-CE2 3.28Å; N66-F158 WeakPolarHBondContact ND2-CE2 3.41Å; N66-F158 WeakPolarHBondContact ND2-CZ 3.48Å; N66-Y170 VanDerWaalsContact CA-CE1 3.44Å; N66-Y170 HydrophobicContact CB-CD1 3.91Å; N66-Y170 HydrophobicContact CB-CE1 3.44Å; N66-Y170 VanDerWaalsContact CB-CE1 3.44Å; N66-Y170 PolarHBondContact N-OH 3.46Å; N66-E172 PolarHBondContact ND2-OE1 3.38Å
67	P	92.4	Very high	91.2	Very high	50 Å²	50	70.3 Å²	70.3	33%	0.325	37%	0.371	S	S	.	.	S	Bend	trans	-70.3	-18.1	-178.9	27.7	-35.3	0	0	0	112.9	P65 L160 L214	P65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-L160 HydrophobicContact CB-CD1 4.24Å; P67-L160 HydrophobicContact CG-CD1 3.65Å; P67-L214 HydrophobicContact CG-CD1 3.91Å
68	L	89.9	Confident	91.1	Very high	22 Å²	22	75.6 Å²	75.6	12%	0.115	40%	0.399	C	S	.	.			trans	-83.1	128.1	178.6	-169	83.8	0	0	0	111.2	N66 F73 L132 L137 A139 F158 L160	N66-L68 PolarHBondContact O-N 2.66Å; N66-L68 WeakPolarHBondContact OD1-CB 3.44Å; N66-L68 PolarHBondContact OD1-N 2.74Å; L68-F73 HydrophobicContact CD2-CE2 3.35Å; L68-F73 HydrophobicContact CD2-CZ 3.34Å; L68-L132 HydrophobicContact CD1-CD2 4.42Å; L68-L137 HydrophobicContact CD1-CD2 3.24Å; L68-A139 HydrophobicContact CD1-CB 4.36Å; L68-F158 HydrophobicContact CD2-CD1 4.09Å; L68-F158 HydrophobicContact CD2-CE1 3.99Å; L68-L160 HydrophobicContact CB-CD1 4.23Å; L68-L160 HydrophobicContact CB-CD2 4.4Å; L68-L160 HydrophobicContact CD1-CD1 4.42Å; L68-L160 HydrophobicContact CD1-CD2 3.78Å
69	K	77.9	Confident	91	Very high	191 Å²	191	80.3 Å²	80.3	83%	0.83	43%	0.425	S	S	*	.			trans	-87.4	141.5	164.6	-62.2	179.7	-176.6	176.4	0	108.8	G71	K69-G71 PolarHBondContact O-N 3.41Å
70	I	77	Confident	91	Very high	178 Å²	178	83.6 Å²	83.6	91%	0.913	44%	0.441	S	S	*	.			trans	-32.5	124.9	-177.1	-62.4	167.5	0	0	0	111.8
71	G	81	Confident	91	Very high	23 Å²	23	89.4 Å²	89.4	24%	0.237	47%	0.468	C	S	.	.			trans	-131.8	164.2	177.4	0	0	0	0	0	111.8	K69 F73	K69-G71 PolarHBondContact O-N 3.41Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 WeakPolarHBondContact O-CD2 3.42Å; G71-F73 PolarHBondContact O-N 3.34Å
72	N	89.1	Confident	90.9	Very high	138 Å²	138	89.7 Å²	89.7	74%	0.738	47%	0.47	S	S	*	.			trans	-83.6	77.9	-180	-71	-23.3	0	0	0	110.9
73	F	94.4	Very high	90.9	Very high	46 Å²	46	96 Å²	96	20%	0.202	50%	0.496	C	S	.	.			trans	-65.6	142.4	175	-80.4	-83.6	0	0	0	112.3	L68 G71 Q130 L132 A139 R141 F158	L68-F73 HydrophobicContact CD2-CE2 3.35Å; L68-F73 HydrophobicContact CD2-CZ 3.34Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 WeakPolarHBondContact O-CD2 3.42Å; G71-F73 PolarHBondContact O-N 3.34Å; F73-Q130 HydrophobicContact CB-CB 3.82Å; F73-Q130 HydrophobicContact CD1-CB 3.73Å; F73-Q130 HydrophobicContact CG-CB 4.09Å; F73-L132 HydrophobicContact CD1-CB 3.8Å; F73-L132 HydrophobicContact CE1-CB 3.66Å; F73-L132 HydrophobicContact CE2-CD2 4.35Å; F73-L132 HydrophobicContact CG-CB 4.31Å; F73-L132 HydrophobicContact CZ-CB 4.06Å; F73-L132 HydrophobicContact CZ-CD2 4.24Å; F73-A139 HydrophobicContact CE1-CB 4.12Å; F73-A139 HydrophobicContact CZ-CB 4.12Å; F73-R141 HydrophobicContact CE1-CB 4.16Å; F73-F158 HydrophobicContact CZ-CD1 4.39Å; F73-F158 HydrophobicContact CZ-CE1 4.21Å
74	K	94.8	Very high	90.9	Very high	163 Å²	163	90 Å²	90	71%	0.709	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.9	170.3	-62.1	-178.2	-176.6	177	0	109.2	Q130 V131	K74-Q130 CarbonylContact O-C 3.55Å; K74-Q130 VanDerWaalsContact O-CA 3.24Å; K74-Q130 WeakPolarHBondContact O-CA 3.39Å; K74-V131 PolarHBondContact N-O 3.39Å; K74-V131 PolarHBondContact O-N 3.11Å
75	E	94.4	Very high	90.9	Very high	143 Å²	143	91.6 Å²	91.6	67%	0.668	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.2	177.1	-169.8	175.9	-176.9	0	0	111.2	V129	E75-V129 WeakPolarHBondContact CA-O 3.43Å
76	L	91.3	Very high	91	Very high	22 Å²	22	88.1 Å²	88.1	12%	0.115	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.2	175.5	-56.7	-169.2	0	0	0	110.8	Q80 I100 V129 V131	L76-Q80 HydrophobicContact CD1-CB 3.8Å; L76-Q80 HydrophobicContact CD2-CB 4.37Å; L76-I100 HydrophobicContact CD1-CB 4.15Å; L76-I100 HydrophobicContact CD1-CG2 4.1Å; L76-V129 HydrophobicContact CB-CB 4.28Å; L76-V129 HydrophobicContact CB-CG1 4.43Å; L76-V129 HydrophobicContact CD1-CG1 4.39Å; L76-V129 PolarHBondContact N-O 3.08Å; L76-V131 HydrophobicContact CD1-CB 4.26Å; L76-V131 HydrophobicContact CD1-CG2 3.33Å; L76-V131 HydrophobicContact CG-CG2 3.95Å
77	S	84.1	Confident	91	Very high	128 Å²	128	93.7 Å²	93.7	90%	0.895	48%	0.475	S	S	*	.	S	Bend	trans	-100.1	-19.7	176.9	52.3	0	0	0	0	114
78	D	90.1	Very high	91.1	Very high	110 Å²	110	91.3 Å²	91.3	59%	0.588	46%	0.46	S	S	*	.	S	Bend	trans	-147.2	178.6	-178.1	-157.2	-9.7	0	0	0	109.5	Q80	D78-Q80 PolarHBondContact O-N 3.28Å
79	N	92.2	Very high	91.2	Very high	101 Å²	101	96.1 Å²	96.1	54%	0.54	48%	0.479	S	S	.	.			trans	-51.2	134.2	171.1	-65.4	-4.6	0	0	0	110.5	I100 P102	N79-I100 WeakPolarHBondContact CA-O 3.21Å; N79-P102 WeakPolarHBondContact OD1-CD 3.43Å
80	Q	94.1	Very high	91.9	Very high	79 Å²	79	87 Å²	87	37%	0.369	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.9	178.2	-166.3	-172.2	25.6	0	0	111.3	L76 D78 V82 D99 I100	L76-Q80 HydrophobicContact CD1-CB 3.8Å; L76-Q80 HydrophobicContact CD2-CB 4.37Å; D78-Q80 PolarHBondContact O-N 3.28Å; Q80-V82 HydrophobicContact CB-CG2 4.4Å; Q80-V82 HydrophobicContact CG-CG2 3.83Å; Q80-D99 WeakPolarHBondContact O-CA 3.04Å; Q80-I100 PolarHBondContact N-O 3.04Å; Q80-I100 VanDerWaalsContact N-O 3.16Å; Q80-I100 WeakPolarHBondContact O-CD1 3.45Å; Q80-I100 PolarHBondContact O-N 2.03Å
81	E	95.5	Very high	92.6	Very high	122 Å²	122	78.9 Å²	78.9	57%	0.57	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.5	165.6	-173	-174	157.7	0	0	109.4	N97 F98 D99	E81-N97 HydrophobicContact CG-CB 3.84Å; E81-N97 PolarHBondContact OE1-ND2 3.4Å; E81-F98 CarbonylContact C-O 3.51Å; E81-F98 WeakPolarHBondContact CA-O 3.34Å; E81-D99 WeakPolarHBondContact CA-OD1 3.39Å; E81-D99 WeakPolarHBondContact CB-OD1 3.24Å; E81-D99 WeakPolarHBondContact CG-OD1 3.14Å
82	V	95.6	Very high	92.8	Very high	16 Å²	16	83.6 Å²	83.6	10%	0.097	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.4	179.9	-175.6	0	0	0	0	110.2	Q80 F98 I100 N133 F138	Q80-V82 HydrophobicContact CB-CG2 4.4Å; Q80-V82 HydrophobicContact CG-CG2 3.83Å; V82-F98 PolarHBondContact N-O 3.05Å; V82-F98 PolarHBondContact O-N 2.78Å; V82-I100 HydrophobicContact CB-CD1 3.78Å; V82-I100 HydrophobicContact CG2-CD1 3.43Å; V82-I100 VanDerWaalsContact CG2-CD1 3.43Å; V82-N133 HydrophobicContact CG1-CB 4.23Å; V82-N133 VanDerWaalsContact CG1-ND2 3.31Å; V82-N133 WeakPolarHBondContact CG1-ND2 3.24Å; V82-F138 HydrophobicContact CB-CE2 4.15Å; V82-F138 HydrophobicContact CG1-CE2 3.76Å
83	K	95.6	Very high	92.8	Very high	144 Å²	144	77.9 Å²	77.9	63%	0.626	39%	0.385	S	S	*	.			trans	-77	123.6	169.6	-174.5	169.6	-176	173	0	110.4	N97 N133	K83-N97 WeakPolarHBondContact CB-OD1 3.32Å; K83-N133 PolarHBondContact O-ND2 3.04Å
84	P	95.7	Very high	92.7	Very high	10 Å²	10	79.4 Å²	79.4	7%	0.065	39%	0.392	C	S	.	.			trans	-63	141.4	175.7	24	-31.6	0	0	0	111.5	F86 I96 F98	P84-F86 HydrophobicContact CB-CE1 4.43Å; P84-F86 HydrophobicContact CB-CZ 4.4Å; P84-F86 PolarHBondContact O-N 3.44Å; P84-F86 VanDerWaalsContact O-N 3.1Å; P84-I96 WeakPolarHBondContact CD-O 3.36Å; P84-F98 HydrophobicContact CB-CD2 4.3Å; P84-F98 HydrophobicContact CB-CE2 3.81Å; P84-F98 HydrophobicContact CG-CD2 4.33Å; P84-F98 HydrophobicContact CG-CE2 3.94Å
85	N	96.3	Very high	92.6	Very high	97 Å²	97	71.9 Å²	71.9	52%	0.519	36%	0.36	S	S	.	.	S	Bend	trans	-76.1	11	178.1	-76.2	-26.4	0	0	0	114	N133	N85-N133 PolarHBondContact N-OD1 3.39Å; N85-N133 PolarHBondContact ND2-O 3.24Å
86	F	96.3	Very high	92.5	Very high	25 Å²	25	68.9 Å²	68.9	11%	0.11	35%	0.348	C	S	.	.	S	Bend	trans	-145.2	164.8	178.4	52.7	-91	0	0	0	110.5	P84 F88 E134 K135 F138 I161 P163	P84-F86 HydrophobicContact CB-CE1 4.43Å; P84-F86 HydrophobicContact CB-CZ 4.4Å; P84-F86 PolarHBondContact O-N 3.44Å; P84-F86 VanDerWaalsContact O-N 3.1Å; F86-F88 HydrophobicContact CD2-CB 4.05Å; F86-F88 HydrophobicContact CE2-CB 3.84Å; F86-F88 HydrophobicContact CE2-CD2 4.44Å; F86-F88 HydrophobicContact CE2-CG 4.42Å; F86-E134 WeakPolarHBondContact CD1-O 3.25Å; F86-K135 WeakPolarHBondContact CB-O 3.48Å; F86-F138 HydrophobicContact CE1-CB 3.79Å; F86-F138 HydrophobicContact CZ-CB 3.65Å; F86-I161 HydrophobicContact CE2-CG2 4.42Å; F86-I161 HydrophobicContact CZ-CG2 4.42Å; F86-I161 WeakPolarHBondContact CZ-O 3.47Å; F86-P163 HydrophobicContact CB-CB 4.34Å; F86-P163 HydrophobicContact CB-CG 4.01Å; F86-P163 HydrophobicContact CD1-CG 4.24Å; F86-P163 HydrophobicContact CD2-CB 3.96Å; F86-P163 HydrophobicContact CD2-CG 3.78Å; F86-P163 HydrophobicContact CE2-CG 4.27Å; F86-P163 HydrophobicContact CG-CB 4.28Å; F86-P163 HydrophobicContact CG-CG 3.75Å
87	Q	93.8	Very high	92.7	Very high	159 Å²	159	68.7 Å²	68.7	74%	0.743	35%	0.347	S	S	*	.			trans	-78.6	126.9	171.3	-67.8	-175.1	-3.6	0	0	109.7
88	F	93.7	Very high	93.2	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	30%	0.304	C	S	.	.			trans	-129.4	142.2	176.3	174.8	-108.4	0	0	0	110.7	F86 Y90 Q94 V95 F98 I161 Y162 G165 I167	F86-F88 HydrophobicContact CD2-CB 4.05Å; F86-F88 HydrophobicContact CE2-CB 3.84Å; F86-F88 HydrophobicContact CE2-CD2 4.44Å; F86-F88 HydrophobicContact CE2-CG 4.42Å; F88-Y90 HydrophobicContact CE1-CD2 4.31Å; F88-Y90 HydrophobicContact CZ-CD2 4.37Å; F88-Q94 PolarHBondContact O-NE2 2.98Å; F88-Q94 PolarHBondContact O-OE1 3.31Å; F88-V95 HydrophobicContact CD1-CB 3.92Å; F88-V95 HydrophobicContact CD1-CG2 3.47Å; F88-V95 VanDerWaalsContact CD1-CG2 3.47Å; F88-V95 HydrophobicContact CE1-CG2 3.86Å; F88-V95 PolarHBondContact O-N 2.55Å; F88-F98 HydrophobicContact CD1-CE1 4.1Å; F88-F98 AromaticContact CD1-CZ 3.68Å; F88-F98 HydrophobicContact CD1-CZ 3.68Å; F88-F98 HydrophobicContact CE1-CE1 4.15Å; F88-F98 HydrophobicContact CE1-CZ 4.02Å; F88-F98 HydrophobicContact CG-CZ 4.39Å; F88-I161 HydrophobicContact CD1-CG2 4.16Å; F88-I161 HydrophobicContact CD2-CG2 3.52Å; F88-I161 HydrophobicContact CE1-CG2 3.99Å; F88-I161 HydrophobicContact CE2-CG2 3.29Å; F88-I161 HydrophobicContact CG-CG2 3.95Å; F88-I161 HydrophobicContact CZ-CG2 3.58Å; F88-Y162 WeakPolarHBondContact CD2-O 3.49Å; F88-G165 VanDerWaalsContact CE2-CA 3.46Å; F88-I167 HydrophobicContact CE2-CG1 4.36Å; F88-I167 HydrophobicContact CZ-CD1 4.06Å; F88-I167 HydrophobicContact CZ-CG1 4.01Å
89	K	92.2	Very high	93.5	Very high	122 Å²	122	59.9 Å²	59.9	53%	0.53	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	173	-68.6	-179	-179.8	179.1	0	110.4	S93	K89-S93 CarbonylContact C-O 3.58Å; K89-S93 VanDerWaalsContact CA-O 3.25Å; K89-S93 WeakPolarHBondContact CA-O 3.41Å
90	Y	93.2	Very high	93.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.2	170.2	-170	-111.3	0	0	0	107.6	Y56 F88 E92 S93 I108 F113 Q116 I167 L187 R188 V189	Y56-Y90 WeakPolarHBondContact OH-CD2 3.27Å; F88-Y90 HydrophobicContact CE1-CD2 4.31Å; F88-Y90 HydrophobicContact CZ-CD2 4.37Å; Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 PolarHBondContact O-N 3.35Å; Y90-E92 VanDerWaalsContact O-N 3.16Å; Y90-S93 PolarHBondContact N-O 3.03Å; Y90-S93 PolarHBondContact O-N 3.33Å; Y90-I108 HydrophobicContact CD1-CD1 3.83Å; Y90-I108 HydrophobicContact CD1-CG2 4.3Å; Y90-I108 HydrophobicContact CD2-CD1 3.57Å; Y90-I108 HydrophobicContact CE1-CD1 3.94Å; Y90-I108 HydrophobicContact CE2-CD1 3.69Å; Y90-I108 HydrophobicContact CG-CD1 3.64Å; Y90-I108 HydrophobicContact CG-CG2 4.35Å; Y90-F113 AromaticContact CD1-CE2 3.7Å; Y90-F113 HydrophobicContact CD1-CE2 3.7Å; Y90-F113 AromaticContact CD1-CZ 3.91Å; Y90-F113 HydrophobicContact CD1-CZ 3.91Å; Y90-F113 HydrophobicContact CE1-CE2 4.47Å; Y90-F113 WeakPolarHBondContact O-CZ 3.37Å; Y90-Q116 PolarHBondContact OH-O 3.2Å; Y90-I167 HydrophobicContact CD2-CD1 4.04Å; Y90-I167 HydrophobicContact CE2-CD1 3.91Å; Y90-L187 HydrophobicContact CE2-CD2 4.24Å; Y90-R188 WeakPolarHBondContact CE1-O 3.17Å; Y90-R188 PolarHBondContact OH-N 2.72Å; Y90-R188 PolarHBondContact OH-O 2.96Å; Y90-V189 HydrophobicContact CE1-CB 4.37Å
91	Y	90.3	Very high	93.6	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.027	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	50.5	-174.3	-70.7	-91.9	0	0	0	113.6	Y54 N55 Y56 S93 V189 F191	Y54-Y91 AromaticContact CD1-CD1 3.83Å; Y54-Y91 HydrophobicContact CD1-CD1 3.83Å; Y54-Y91 AromaticContact CD1-CE1 3.76Å; Y54-Y91 HydrophobicContact CD1-CE1 3.76Å; Y54-Y91 AromaticContact CE1-CD1 3.91Å; Y54-Y91 HydrophobicContact CE1-CD1 3.91Å; Y54-Y91 HydrophobicContact CE1-CE1 4.32Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.26Å; N55-Y91 HydrophobicContact CB-CD1 3.6Å; N55-Y91 HydrophobicContact CB-CE1 3.95Å; N55-Y91 VanDerWaalsContact ND2-CA 3.31Å; N55-Y91 WeakPolarHBondContact ND2-CA 3.38Å; Y56-Y91 HydrophobicContact CD2-CD1 4.44Å; Y56-Y91 AromaticContact CD2-CE1 4Å; Y56-Y91 HydrophobicContact CD2-CE1 4Å; Y56-Y91 HydrophobicContact CD2-CE2 4.12Å; Y56-Y91 AromaticContact CD2-CZ 3.85Å; Y56-Y91 HydrophobicContact CE2-CD1 4.22Å; Y56-Y91 AromaticContact CE2-CD2 3.76Å; Y56-Y91 HydrophobicContact CE2-CD2 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 4.12Å; Y56-Y91 AromaticContact CE2-CE2 3.68Å; Y56-Y91 HydrophobicContact CE2-CE2 3.68Å; Y56-Y91 HydrophobicContact CE2-CG 4.06Å; Y56-Y91 AromaticContact CE2-CZ 3.88Å; Y56-Y91 PolarHBondContact OH-N 3.07Å; Y91-S93 PolarHBondContact O-N 3.01Å; Y91-S93 PolarHBondContact O-OG 2.92Å; Y91-V189 HydrophobicContact CD1-CG1 3.93Å; Y91-V189 HydrophobicContact CD2-CB 3.74Å; Y91-V189 HydrophobicContact CD2-CG1 3.99Å; Y91-V189 HydrophobicContact CD2-CG2 4.03Å; Y91-V189 HydrophobicContact CE1-CB 4.49Å; Y91-V189 HydrophobicContact CE1-CG1 3.69Å; Y91-V189 HydrophobicContact CE2-CB 3.71Å; Y91-V189 HydrophobicContact CE2-CG1 3.75Å; Y91-V189 HydrophobicContact CE2-CG2 4.5Å; Y91-V189 HydrophobicContact CG-CB 4.13Å; Y91-V189 HydrophobicContact CG-CG1 4.06Å; Y91-V189 HydrophobicContact CG-CG2 4.11Å; Y91-F191 HydrophobicContact CD1-CZ 4.45Å
92	E	86.6	Confident	93.3	Very high	123 Å²	123	48.8 Å²	48.8	58%	0.575	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	1.4	-177.6	-56.4	-172.5	146.7	0	0	116.6	N55 Y90	N55-E92 VanDerWaalsContact OD1-CG 3.25Å; N55-E92 WeakPolarHBondContact OD1-CG 3.16Å; Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 PolarHBondContact O-N 3.35Å; Y90-E92 VanDerWaalsContact O-N 3.16Å
93	S	88.2	Confident	92.9	Very high	18 Å²	18	52.2 Å²	52.2	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.2	-179	-55.5	0	0	0	0	111.9	K89 Y90 Y91 V95 N110 F113	K89-S93 CarbonylContact C-O 3.58Å; K89-S93 VanDerWaalsContact CA-O 3.25Å; K89-S93 WeakPolarHBondContact CA-O 3.41Å; Y90-S93 PolarHBondContact N-O 3.03Å; Y90-S93 PolarHBondContact O-N 3.33Å; Y91-S93 PolarHBondContact O-N 3.01Å; Y91-S93 PolarHBondContact O-OG 2.92Å; S93-V95 PolarHBondContact O-N 3.01Å; S93-N110 WeakPolarHBondContact CB-ND2 3.5Å; S93-F113 WeakPolarHBondContact OG-CE1 3.5Å
94	Q	91.8	Very high	92.7	Very high	77 Å²	77	45.3 Å²	45.3	36%	0.36	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124	-176.3	-177	57.6	42.2	0	0	111	F88 N110	F88-Q94 PolarHBondContact O-NE2 2.98Å; F88-Q94 PolarHBondContact O-OE1 3.31Å; Q94-N110 PolarHBondContact O-ND2 3.09Å
95	V	93.4	Very high	92.6	Very high	5 Å²	5	45 Å²	45	3%	0.03	23%	0.228	C	C	.	.			trans	-78.1	139	173.4	176.1	0	0	0	0	110	F88 S93 N97 F98 I108	F88-V95 HydrophobicContact CD1-CB 3.92Å; F88-V95 HydrophobicContact CD1-CG2 3.47Å; F88-V95 VanDerWaalsContact CD1-CG2 3.47Å; F88-V95 HydrophobicContact CE1-CG2 3.86Å; F88-V95 PolarHBondContact O-N 2.55Å; S93-V95 PolarHBondContact O-N 3.01Å; V95-N97 WeakPolarHBondContact CG1-O 3.32Å; V95-F98 HydrophobicContact CG1-CD1 4.07Å; V95-F98 HydrophobicContact CG1-CE1 3.71Å; V95-F98 HydrophobicContact CG1-CZ 4.15Å; V95-I108 HydrophobicContact CB-CG2 4.18Å; V95-I108 HydrophobicContact CG1-CG2 3.75Å; V95-I108 HydrophobicContact CG2-CG2 3.38Å
96	I	92.8	Very high	92.6	Very high	80 Å²	80	40.4 Å²	40.4	41%	0.41	20%	0.203	S	C	.	.			trans	-94.9	-58.4	175.6	-56.1	177.8	0	0	0	109.1	P84 E109	P84-I96 WeakPolarHBondContact CD-O 3.36Å; I96-E109 PolarHBondContact N-O 3.38Å
97	N	94.6	Very high	92.6	Very high	18 Å²	18	40.6 Å²	40.6	10%	0.096	21%	0.205	C	C	.	.			trans	-138.9	158	-176.3	-59.9	-46.4	0	0	0	111.1	E81 K83 V95 E109	E81-N97 HydrophobicContact CG-CB 3.84Å; E81-N97 PolarHBondContact OE1-ND2 3.4Å; K83-N97 WeakPolarHBondContact CB-OD1 3.32Å; V95-N97 WeakPolarHBondContact CG1-O 3.32Å; N97-E109 PolarHBondContact ND2-OE2 3.44Å; N97-E109 VanDerWaalsContact ND2-OE2 3.17Å; N97-E109 PolarHBondContact O-N 3.29Å
98	F	96.2	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.5	165.6	-64.2	-51.5	0	0	0	109.1	E81 V82 P84 F88 V95 I100 I106 I108 F138 I161	E81-F98 CarbonylContact C-O 3.51Å; E81-F98 WeakPolarHBondContact CA-O 3.34Å; V82-F98 PolarHBondContact N-O 3.05Å; V82-F98 PolarHBondContact O-N 2.78Å; P84-F98 HydrophobicContact CB-CD2 4.3Å; P84-F98 HydrophobicContact CB-CE2 3.81Å; P84-F98 HydrophobicContact CG-CD2 4.33Å; P84-F98 HydrophobicContact CG-CE2 3.94Å; F88-F98 HydrophobicContact CD1-CE1 4.1Å; F88-F98 AromaticContact CD1-CZ 3.68Å; F88-F98 HydrophobicContact CD1-CZ 3.68Å; F88-F98 HydrophobicContact CE1-CE1 4.15Å; F88-F98 HydrophobicContact CE1-CZ 4.02Å; F88-F98 HydrophobicContact CG-CZ 4.39Å; V95-F98 HydrophobicContact CG1-CD1 4.07Å; V95-F98 HydrophobicContact CG1-CE1 3.71Å; V95-F98 HydrophobicContact CG1-CZ 4.15Å; F98-I100 HydrophobicContact CB-CD1 4.31Å; F98-I106 HydrophobicContact CB-CG2 3.78Å; F98-I106 HydrophobicContact CD1-CG2 3.74Å; F98-I106 HydrophobicContact CG-CG2 4Å; F98-I108 HydrophobicContact CD1-CG1 4.03Å; F98-I108 HydrophobicContact CE1-CD1 4.33Å; F98-I108 HydrophobicContact CE1-CG1 4.08Å; F98-I108 HydrophobicContact CE1-CG2 4.38Å; F98-F138 HydrophobicContact CB-CZ 4.2Å; F98-F138 AromaticContact CD2-CD1 3.9Å; F98-F138 HydrophobicContact CD2-CD1 3.9Å; F98-F138 HydrophobicContact CD2-CD2 4.07Å; F98-F138 AromaticContact CD2-CE1 3.71Å; F98-F138 HydrophobicContact CD2-CE1 3.71Å; F98-F138 AromaticContact CD2-CE2 3.93Å; F98-F138 HydrophobicContact CD2-CE2 3.93Å; F98-F138 HydrophobicContact CD2-CG 4.06Å; F98-F138 AromaticContact CD2-CZ 3.74Å; F98-F138 HydrophobicContact CD2-CZ 3.74Å; F98-F138 HydrophobicContact CE2-CB 4.45Å; F98-F138 AromaticContact CE2-CD1 3.91Å; F98-F138 HydrophobicContact CE2-CD1 3.91Å; F98-F138 HydrophobicContact CE2-CD2 4.34Å; F98-F138 HydrophobicContact CE2-CE1 4.19Å; F98-F138 AromaticContact CE2-CG 3.98Å; F98-F138 HydrophobicContact CE2-CG 3.98Å; F98-F138 HydrophobicContact CG-CE1 4.27Å; F98-F138 HydrophobicContact CG-CZ 4.31Å; F98-I161 HydrophobicContact CE1-CD1 3.93Å; F98-I161 HydrophobicContact CE2-CD1 4.07Å; F98-I161 HydrophobicContact CZ-CD1 3.64Å; F98-I161 HydrophobicContact CZ-CG2 4.16Å
99	D	95.9	Very high	92.3	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.6	166.7	-65.4	-39.5	0	0	0	108	Q80 E81 L101 I106 D107	Q80-D99 WeakPolarHBondContact O-CA 3.04Å; E81-D99 WeakPolarHBondContact CA-OD1 3.39Å; E81-D99 WeakPolarHBondContact CB-OD1 3.24Å; E81-D99 WeakPolarHBondContact CG-OD1 3.14Å; D99-L101 HydrophobicContact CB-CD1 4.44Å; D99-L101 WeakPolarHBondContact O-CD1 3.38Å; D99-I106 CarbonylContact O-C 3.52Å; D99-I106 VanDerWaalsContact O-CA 3.32Å; D99-I106 WeakPolarHBondContact O-CA 3.38Å; D99-D107 HydrophobicContact CB-CB 4.14Å; D99-D107 PolarHBondContact N-O 3.07Å; D99-D107 PolarHBondContact O-N 3.16Å
100	I	95.6	Very high	91.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121	179.8	-56.7	86.8	0	0	0	108.2	L76 N79 Q80 V82 F98 V129 V131 F138 V140 W142	L76-I100 HydrophobicContact CD1-CB 4.15Å; L76-I100 HydrophobicContact CD1-CG2 4.1Å; N79-I100 WeakPolarHBondContact CA-O 3.21Å; Q80-I100 PolarHBondContact N-O 3.04Å; Q80-I100 VanDerWaalsContact N-O 3.16Å; Q80-I100 WeakPolarHBondContact O-CD1 3.45Å; Q80-I100 PolarHBondContact O-N 2.03Å; V82-I100 HydrophobicContact CB-CD1 3.78Å; V82-I100 HydrophobicContact CG2-CD1 3.43Å; V82-I100 VanDerWaalsContact CG2-CD1 3.43Å; F98-I100 HydrophobicContact CB-CD1 4.31Å; I100-V129 HydrophobicContact CG2-CG1 3.95Å; I100-V131 HydrophobicContact CB-CG2 4.48Å; I100-V131 HydrophobicContact CD1-CG2 4.37Å; I100-V131 HydrophobicContact CG1-CG2 4.01Å; I100-V131 HydrophobicContact CG2-CG2 4.22Å; I100-F138 HydrophobicContact CD1-CZ 3.99Å; I100-F138 HydrophobicContact CG1-CZ 4.14Å; I100-V140 HydrophobicContact CG1-CG2 4.01Å; I100-V140 HydrophobicContact CG2-CG1 3.75Å; I100-V140 HydrophobicContact CG2-CG2 4.4Å; I100-W142 HydrophobicContact CG2-CZ2 4.43Å
101	L	92.6	Very high	90.7	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.168	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.2	178.4	-67.7	85.5	0	0	0	110.5	D99 T103 G104 S105 D107 W142	D99-L101 HydrophobicContact CB-CD1 4.44Å; D99-L101 WeakPolarHBondContact O-CD1 3.38Å; L101-T103 WeakPolarHBondContact CB-OG1 3.48Å; L101-T103 PolarHBondContact O-N 3.02Å; L101-G104 PolarHBondContact O-N 3.48Å; L101-G104 VanDerWaalsContact O-N 3.1Å; L101-S105 PolarHBondContact N-O 3.38Å; L101-S105 PolarHBondContact O-N 3.13Å; L101-D107 HydrophobicContact CD1-CB 4.15Å; L101-W142 PolarHBondContact O-NE1 2.92Å; L101-W142 VanDerWaalsContact O-NE1 3.16Å
102	P	88.9	Confident	89.8	Confident	36 Å²	36	43.9 Å²	43.9	23%	0.234	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-4.3	170.8	-22.3	34.1	0	0	0	114.9	N79 G104 F126 V129	N79-P102 WeakPolarHBondContact OD1-CD 3.43Å; P102-G104 PolarHBondContact O-N 3.19Å; P102-F126 WeakPolarHBondContact O-CB 3.38Å; P102-F126 VanDerWaalsContact O-CD2 3.23Å; P102-F126 WeakPolarHBondContact O-CD2 3.21Å; P102-V129 HydrophobicContact CB-CG2 4.01Å
103	T	87.6	Confident	89.4	Confident	87 Å²	87	38.5 Å²	38.5	53%	0.534	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.7	172.5	56.7	0	0	0	0	113.4	L101 F126	L101-T103 WeakPolarHBondContact CB-OG1 3.48Å; L101-T103 PolarHBondContact O-N 3.02Å; T103-F126 VanDerWaalsContact C-CE2 3.49Å; T103-F126 WeakPolarHBondContact O-CE2 3.28Å
104	G	90.5	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	21.9	180	0	0	0	0	0	113.8	L101 P102 N119	L101-G104 PolarHBondContact O-N 3.48Å; L101-G104 VanDerWaalsContact O-N 3.1Å; P102-G104 PolarHBondContact O-N 3.19Å; G104-N119 VanDerWaalsContact O-CA 3.32Å; G104-N119 WeakPolarHBondContact O-CA 3.22Å; G104-N119 VanDerWaalsContact O-CB 3.25Å; G104-N119 WeakPolarHBondContact O-CB 3.17Å; G104-N119 PolarHBondContact O-N 3.24Å; G104-N119 PolarHBondContact O-ND2 3.36Å
105	S	93.6	Very high	89.5	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.4	-177.4	-52.5	0	0	0	0	111.7	L101 I117 H118	L101-S105 PolarHBondContact N-O 3.38Å; L101-S105 PolarHBondContact O-N 3.13Å; S105-I117 CarbonylContact C-O 3.46Å; S105-I117 VanDerWaalsContact CA-O 3.25Å; S105-I117 WeakPolarHBondContact CA-O 3.19Å; S105-H118 PolarHBondContact OG-ND1 3.18Å
106	I	96.2	Very high	89.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.5	163	-57.2	170.3	0	0	0	106.2	F98 D99 I108 Q116 I117 F138 V140 W142 C159 I161	F98-I106 HydrophobicContact CB-CG2 3.78Å; F98-I106 HydrophobicContact CD1-CG2 3.74Å; F98-I106 HydrophobicContact CG-CG2 4Å; D99-I106 CarbonylContact O-C 3.52Å; D99-I106 VanDerWaalsContact O-CA 3.32Å; D99-I106 WeakPolarHBondContact O-CA 3.38Å; I106-I108 HydrophobicContact CG2-CG1 4.37Å; I106-Q116 CarbonylContact O-C 3.53Å; I106-Q116 VanDerWaalsContact O-CA 3.3Å; I106-Q116 WeakPolarHBondContact O-CA 3.47Å; I106-I117 HydrophobicContact CB-CB 4.27Å; I106-I117 HydrophobicContact CD1-CD1 4.37Å; I106-I117 PolarHBondContact N-O 2.88Å; I106-I117 PolarHBondContact O-N 2.81Å; I106-F138 HydrophobicContact CD1-CE1 4.29Å; I106-V140 HydrophobicContact CD1-CB 4.29Å; I106-V140 HydrophobicContact CD1-CG2 3.65Å; I106-V140 HydrophobicContact CG1-CG2 4.21Å; I106-W142 HydrophobicContact CD1-CH2 3.76Å; I106-W142 HydrophobicContact CD1-CZ2 4.27Å; I106-W142 HydrophobicContact CG1-CH2 3.7Å; I106-W142 HydrophobicContact CG1-CZ2 3.75Å; I106-C159 HydrophobicContact CD1-CB 4.27Å; I106-I161 HydrophobicContact CD1-CD1 4.32Å
107	D	96	Very high	89.8	Confident	29 Å²	29	34.9 Å²	34.9	16%	0.155	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.8	168.5	-65.1	-13	0	0	0	108.2	D99 L101 F114 Q116	D99-D107 HydrophobicContact CB-CB 4.14Å; D99-D107 PolarHBondContact N-O 3.07Å; D99-D107 PolarHBondContact O-N 3.16Å; L101-D107 HydrophobicContact CD1-CB 4.15Å; D107-F114 HydrophobicContact CB-CE2 3.92Å; D107-F114 HydrophobicContact CB-CZ 3.92Å; D107-Q116 WeakPolarHBondContact OD1-CG 3.49Å; D107-Q116 PolarHBondContact OD1-NE2 3.31Å
108	I	95	Very high	89.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.9	-173.6	-58.3	179.7	0	0	0	107.4	Y90 V95 F98 I106 G115 I117	Y90-I108 HydrophobicContact CD1-CD1 3.83Å; Y90-I108 HydrophobicContact CD1-CG2 4.3Å; Y90-I108 HydrophobicContact CD2-CD1 3.57Å; Y90-I108 HydrophobicContact CE1-CD1 3.94Å; Y90-I108 HydrophobicContact CE2-CD1 3.69Å; Y90-I108 HydrophobicContact CG-CD1 3.64Å; Y90-I108 HydrophobicContact CG-CG2 4.35Å; V95-I108 HydrophobicContact CB-CG2 4.18Å; V95-I108 HydrophobicContact CG1-CG2 3.75Å; V95-I108 HydrophobicContact CG2-CG2 3.38Å; F98-I108 HydrophobicContact CD1-CG1 4.03Å; F98-I108 HydrophobicContact CE1-CD1 4.33Å; F98-I108 HydrophobicContact CE1-CG1 4.08Å; F98-I108 HydrophobicContact CE1-CG2 4.38Å; I106-I108 HydrophobicContact CG2-CG1 4.37Å; I108-G115 PolarHBondContact N-O 3.05Å; I108-G115 PolarHBondContact O-N 3.39Å; I108-I117 HydrophobicContact CD1-CD1 4.27Å; I108-I117 HydrophobicContact CD1-CG1 4.03Å
109	E	86.3	Confident	89.5	Confident	89 Å²	89	35.6 Å²	35.6	42%	0.416	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.3	178.9	-165.3	-174.1	-172.4	0	0	110.8	I96 N97	I96-E109 PolarHBondContact N-O 3.38Å; N97-E109 PolarHBondContact ND2-OE2 3.44Å; N97-E109 VanDerWaalsContact ND2-OE2 3.17Å; N97-E109 PolarHBondContact O-N 3.29Å
110	N	80.5	Confident	89.1	Confident	19 Å²	19	36.4 Å²	36.4	10%	0.102	19%	0.19	C	C	.	.			trans	-141.4	150.8	174.5	-161.4	-62.7	0	0	0	111.2	S93 Q94 K112 F113	S93-N110 WeakPolarHBondContact CB-ND2 3.5Å; Q94-N110 PolarHBondContact O-ND2 3.09Å; N110-K112 PolarHBondContact O-N 3.44Å; N110-K112 PolarHBondContact OD1-N 3.19Å; N110-F113 HydrophobicContact CB-CD2 3.91Å; N110-F113 HydrophobicContact CB-CE2 3.68Å; N110-F113 HydrophobicContact CB-CG 4.33Å; N110-F113 HydrophobicContact CB-CZ 4Å; N110-F113 WeakPolarHBondContact CB-O 3.41Å
111	S	71.5	Confident	88.3	Confident	106 Å²	106	36.4 Å²	36.4	74%	0.741	19%	0.19	S	C	*	.	S	Bend	trans	-60.3	-22.3	169.7	61.1	0	0	0	0	115.8
112	K	71.4	Confident	87.3	Confident	143 Å²	143	35.5 Å²	35.5	62%	0.622	19%	0.186	S	C	*	.	S	Bend	trans	-112.9	-22.4	-169.2	-65.9	-174.3	179.9	-177.6	0	115.2	N110	N110-K112 PolarHBondContact O-N 3.44Å; N110-K112 PolarHBondContact OD1-N 3.19Å
113	F	80	Confident	86.6	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	170.7	-173.1	61.5	-117.8	0	0	0	110.4	Y90 S93 N110 V189 I190 F191	Y90-F113 AromaticContact CD1-CE2 3.7Å; Y90-F113 HydrophobicContact CD1-CE2 3.7Å; Y90-F113 AromaticContact CD1-CZ 3.91Å; Y90-F113 HydrophobicContact CD1-CZ 3.91Å; Y90-F113 HydrophobicContact CE1-CE2 4.47Å; Y90-F113 WeakPolarHBondContact O-CZ 3.37Å; S93-F113 WeakPolarHBondContact OG-CE1 3.5Å; N110-F113 HydrophobicContact CB-CD2 3.91Å; N110-F113 HydrophobicContact CB-CE2 3.68Å; N110-F113 HydrophobicContact CB-CG 4.33Å; N110-F113 HydrophobicContact CB-CZ 4Å; N110-F113 WeakPolarHBondContact CB-O 3.41Å; F113-V189 HydrophobicContact CB-CG2 4.3Å; F113-V189 HydrophobicContact CD1-CG2 4.34Å; F113-V189 HydrophobicContact CD2-CG2 3.97Å; F113-V189 HydrophobicContact CE2-CG2 4.43Å; F113-V189 HydrophobicContact CG-CG2 3.98Å; F113-I190 WeakPolarHBondContact CA-O 3.5Å; F113-I190 WeakPolarHBondContact CB-O 3.3Å; F113-F191 HydrophobicContact CB-CD1 4.23Å; F113-F191 HydrophobicContact CD1-CD1 4.28Å; F113-F191 AromaticContact CD1-CE1 3.91Å; F113-F191 HydrophobicContact CD1-CE1 3.91Å
114	F	87.1	Confident	86	Confident	78 Å²	78	41.2 Å²	41.2	34%	0.342	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.5	163.9	178.3	-96.9	0	0	0	110.1	D107 Q116 V189 I190	D107-F114 HydrophobicContact CB-CE2 3.92Å; D107-F114 HydrophobicContact CB-CZ 3.92Å; F114-Q116 HydrophobicContact CE1-CB 3.96Å; F114-Q116 HydrophobicContact CZ-CB 4.44Å; F114-V189 WeakPolarHBondContact O-CA 3.18Å; F114-I190 HydrophobicContact CB-CB 4.4Å; F114-I190 HydrophobicContact CD1-CD1 3.91Å; F114-I190 HydrophobicContact CD1-CG1 4.43Å; F114-I190 PolarHBondContact N-O 2.8Å; F114-I190 VanDerWaalsContact N-O 3.08Å; F114-I190 PolarHBondContact O-N 3.38Å
115	G	94.4	Very high	85.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.8	176.1	0	0	0	0	0	111.1	I108 R188	I108-G115 PolarHBondContact N-O 3.05Å; I108-G115 PolarHBondContact O-N 3.39Å; G115-R188 CarbonylContact C-O 3.5Å; G115-R188 WeakPolarHBondContact CA-O 3.19Å
116	Q	95.8	Very high	84.5	Confident	26 Å²	26	47 Å²	47	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	135.3	177.9	178.8	177.7	69.8	0	0	111.4	Y90 I106 D107 F114 H118 R188	Y90-Q116 PolarHBondContact OH-O 3.2Å; I106-Q116 CarbonylContact O-C 3.53Å; I106-Q116 VanDerWaalsContact O-CA 3.3Å; I106-Q116 WeakPolarHBondContact O-CA 3.47Å; D107-Q116 WeakPolarHBondContact OD1-CG 3.49Å; D107-Q116 PolarHBondContact OD1-NE2 3.31Å; F114-Q116 HydrophobicContact CE1-CB 3.96Å; F114-Q116 HydrophobicContact CZ-CB 4.44Å; Q116-H118 HydrophobicContact CG-CB 4.21Å; Q116-R188 HydrophobicContact CB-CB 4.2Å; Q116-R188 PolarHBondContact N-O 3.16Å; Q116-R188 PolarHBondContact O-N 2.75Å
117	I	96.5	Very high	83.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.1	163.5	-53.5	176.4	0	0	0	106.1	S105 I106 I108 I161 I167 I169 L187	S105-I117 CarbonylContact C-O 3.46Å; S105-I117 VanDerWaalsContact CA-O 3.25Å; S105-I117 WeakPolarHBondContact CA-O 3.19Å; I106-I117 HydrophobicContact CB-CB 4.27Å; I106-I117 HydrophobicContact CD1-CD1 4.37Å; I106-I117 PolarHBondContact N-O 2.88Å; I106-I117 PolarHBondContact O-N 2.81Å; I108-I117 HydrophobicContact CD1-CD1 4.27Å; I108-I117 HydrophobicContact CD1-CG1 4.03Å; I117-I161 HydrophobicContact CD1-CD1 3.81Å; I117-I161 HydrophobicContact CD1-CG1 4.37Å; I117-I167 HydrophobicContact CD1-CD1 4.15Å; I117-I167 HydrophobicContact CD1-CG2 3.99Å; I117-I169 HydrophobicContact CG2-CD1 4.21Å; I117-L187 HydrophobicContact CB-CD2 4.34Å; I117-L187 HydrophobicContact CD1-CD2 4.36Å; I117-L187 HydrophobicContact CG1-CD2 3.72Å; I117-L187 HydrophobicContact CG2-CD2 4.19Å
118	H	94.6	Very high	83.7	Confident	32 Å²	32	52 Å²	52	15%	0.148	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126	-172.7	-171.8	63.2	0	0	0	110.8	S105 Q116 Q120 L185 S186	S105-H118 PolarHBondContact OG-ND1 3.18Å; Q116-H118 HydrophobicContact CG-CB 4.21Å; H118-Q120 WeakPolarHBondContact NE2-CB 3.45Å; H118-L185 VanDerWaalsContact O-CA 3.28Å; H118-L185 WeakPolarHBondContact O-CA 3.44Å; H118-S186 PolarHBondContact N-O 2.81Å; H118-S186 PolarHBondContact O-N 2.91Å
119	N	90.3	Very high	83.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	76.2	176.6	-54.2	-81.8	0	0	0	111.5	G104 F126 I157 L185	G104-N119 VanDerWaalsContact O-CA 3.32Å; G104-N119 WeakPolarHBondContact O-CA 3.22Å; G104-N119 VanDerWaalsContact O-CB 3.25Å; G104-N119 WeakPolarHBondContact O-CB 3.17Å; G104-N119 PolarHBondContact O-N 3.24Å; G104-N119 PolarHBondContact O-ND2 3.36Å; N119-F126 WeakPolarHBondContact O-CZ 3.08Å; N119-I157 HydrophobicContact CB-CD1 3.84Å; N119-L185 HydrophobicContact CB-CD2 4.16Å; N119-L185 HydrophobicContact CB-CG 4.43Å; N119-L185 WeakPolarHBondContact OD1-CD2 2.94Å
120	Q	86.5	Confident	84.1	Confident	72 Å²	72	49.3 Å²	49.3	34%	0.336	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116	174	-177.5	-177.9	-72.4	0	0	110.2	H118 L183 I184	H118-Q120 WeakPolarHBondContact NE2-CB 3.45Å; Q120-L183 CarbonylContact O-C 3.49Å; Q120-L183 WeakPolarHBondContact O-CA 3.48Å; Q120-I184 HydrophobicContact CB-CB 4.29Å; Q120-I184 PolarHBondContact N-O 2.96Å; Q120-I184 PolarHBondContact O-N 3.27Å
121	L	78.2	Confident	84.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.247	C	C	.	.			trans	-97.2	-38.7	177.2	-68.2	178.3	0	0	0	113.7	F126 I144 A155 I157 I174 I178 R182 L183 L185	L121-F126 HydrophobicContact CD1-CE1 4.17Å; L121-F126 HydrophobicContact CD1-CZ 4.31Å; L121-F126 HydrophobicContact CG-CZ 4.39Å; L121-I144 HydrophobicContact CB-CD1 3.79Å; L121-I144 HydrophobicContact CD1-CD1 3.74Å; L121-I144 HydrophobicContact CD1-CG1 4.46Å; L121-I144 HydrophobicContact CG-CD1 4.34Å; L121-A155 HydrophobicContact CD1-CB 3.22Å; L121-I157 HydrophobicContact CD1-CD1 3.56Å; L121-I157 HydrophobicContact CD1-CG1 3.91Å; L121-I157 HydrophobicContact CD2-CD1 3.8Å; L121-I157 HydrophobicContact CG-CD1 3.65Å; L121-I174 HydrophobicContact CD1-CD1 4.2Å; L121-I174 HydrophobicContact CD2-CD1 4.11Å; L121-I178 VanDerWaalsContact O-CG2 3.28Å; L121-I178 WeakPolarHBondContact O-CG2 2.99Å; L121-R182 CarbonylContact C-O 3.5Å; L121-R182 CarbonylContact O-C 3.57Å; L121-L183 HydrophobicContact CB-CD2 4.15Å; L121-L183 HydrophobicContact CD2-CD2 3.44Å; L121-L183 VanDerWaalsContact CD2-CD2 3.44Å; L121-L183 HydrophobicContact CG-CD2 4.42Å; L121-L183 WeakPolarHBondContact O-CD2 3.35Å; L121-L185 HydrophobicContact CD2-CD1 4.29Å
122	S	73.3	Confident	86	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.084	21%	0.214	C	C	.	.			trans	-159.4	-178.5	-174.3	74.8	0	0	0	0	110.1	I124	S122-I124 PolarHBondContact O-N 2.68Å; S122-I124 WeakPolarHBondContact OG-CB 2.98Å; S122-I124 WeakPolarHBondContact OG-CG1 3.34Å; S122-I124 PolarHBondContact OG-N 3.36Å
123	R	73.8	Confident	87.2	Confident	220 Å²	220	39.1 Å²	39.1	83%	0.83	19%	0.193	S	C	*	.	S	Bend	trans	-81	0.4	167.8	-65.1	-175.4	179	-179.2	-0.9	112.8
124	I	73.8	Confident	87.9	Confident	24 Å²	24	42.8 Å²	42.8	12%	0.123	21%	0.21	C	C	.	.	S	Bend	trans	-79.3	125.5	176.8	-52.1	174	0	0	0	107	S122 I144 D148 V153	S122-I124 PolarHBondContact O-N 2.68Å; S122-I124 WeakPolarHBondContact OG-CB 2.98Å; S122-I124 WeakPolarHBondContact OG-CG1 3.34Å; S122-I124 PolarHBondContact OG-N 3.36Å; I124-I144 HydrophobicContact CB-CG2 3.85Å; I124-I144 HydrophobicContact CD1-CG2 4.32Å; I124-I144 HydrophobicContact CG2-CG2 3.56Å; I124-D148 HydrophobicContact CD1-CB 4.1Å; I124-V153 HydrophobicContact CD1-CB 3.9Å; I124-V153 HydrophobicContact CD1-CG1 4.05Å
125	P	74.4	Confident	88.3	Confident	104 Å²	104	47.2 Å²	47.2	68%	0.675	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-60.4	145.2	173.6	27	-33.9	0	0	0	109.9	S127	P125-S127 PolarHBondContact O-N 3.26Å
126	F	78.5	Confident	88.3	Confident	21 Å²	21	52.6 Å²	52.6	9%	0.092	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-62.8	134.7	169.1	-67.2	-90.9	0	0	0	109.1	P102 T103 N119 L121 V129 W142 I144	P102-F126 WeakPolarHBondContact O-CB 3.38Å; P102-F126 VanDerWaalsContact O-CD2 3.23Å; P102-F126 WeakPolarHBondContact O-CD2 3.21Å; T103-F126 VanDerWaalsContact C-CE2 3.49Å; T103-F126 WeakPolarHBondContact O-CE2 3.28Å; N119-F126 WeakPolarHBondContact O-CZ 3.08Å; L121-F126 HydrophobicContact CD1-CE1 4.17Å; L121-F126 HydrophobicContact CD1-CZ 4.31Å; L121-F126 HydrophobicContact CG-CZ 4.39Å; F126-V129 HydrophobicContact CB-CG2 4.47Å; F126-W142 HydrophobicContact CD1-CB 3.28Å; F126-W142 HydrophobicContact CD1-CG 4.17Å; F126-W142 HydrophobicContact CE1-CB 3.4Å; F126-W142 HydrophobicContact CE1-CG 4.23Å; F126-W142 HydrophobicContact CG-CB 3.94Å; F126-W142 HydrophobicContact CG-CG 4.43Å; F126-W142 HydrophobicContact CZ-CB 4.19Å; F126-I144 HydrophobicContact CB-CG1 4.46Å; F126-I144 HydrophobicContact CD1-CB 4.47Å; F126-I144 HydrophobicContact CD1-CD1 3.83Å; F126-I144 HydrophobicContact CD1-CG1 3.17Å; F126-I144 HydrophobicContact CE1-CD1 3.63Å; F126-I144 HydrophobicContact CE1-CG1 3.43Å; F126-I144 VanDerWaalsContact CE1-CG1 3.43Å; F126-I144 HydrophobicContact CE2-CD1 4.36Å; F126-I144 HydrophobicContact CG-CD1 4.36Å; F126-I144 HydrophobicContact CG-CG1 3.84Å; F126-I144 HydrophobicContact CZ-CD1 3.93Å; F126-I144 HydrophobicContact CZ-CG1 4.2Å
127	S	84.1	Confident	88.2	Confident	73 Å²	73	52.3 Å²	52.3	51%	0.51	26%	0.258	S	S	.	.	S	Bend	trans	-89.2	-24.1	-176.9	50.9	0	0	0	0	112.6	P125 S143 K145	P125-S127 PolarHBondContact O-N 3.26Å; S127-S143 PolarHBondContact N-O 3.26Å; S127-S143 PolarHBondContact OG-O 2.84Å; S127-K145 PolarHBondContact OG-N 2.82Å; S127-K145 VanDerWaalsContact OG-N 3.1Å
128	E	92	Very high	88.3	Confident	59 Å²	59	52.3 Å²	52.3	28%	0.276	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.3	-179.1	-175.3	-174.2	-172	0	0	108.8	Q130 W142 S143	E128-Q130 HydrophobicContact CG-CG 3.93Å; E128-Q130 PolarHBondContact OE1-NE2 2.87Å; E128-W142 WeakPolarHBondContact O-CA 3.43Å; E128-S143 PolarHBondContact N-O 2.96Å; E128-S143 PolarHBondContact O-N 3.33Å
129	V	94.4	Very high	88.4	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.8	175.4	-171.6	0	0	0	0	107.3	E75 L76 I100 P102 F126 V140 R141 W142	E75-V129 WeakPolarHBondContact CA-O 3.43Å; L76-V129 HydrophobicContact CB-CB 4.28Å; L76-V129 HydrophobicContact CB-CG1 4.43Å; L76-V129 HydrophobicContact CD1-CG1 4.39Å; L76-V129 PolarHBondContact N-O 3.08Å; I100-V129 HydrophobicContact CG2-CG1 3.95Å; P102-V129 HydrophobicContact CB-CG2 4.01Å; F126-V129 HydrophobicContact CB-CG2 4.47Å; V129-V140 HydrophobicContact CG1-CG1 4.09Å; V129-R141 CarbonylContact C-O 3.55Å; V129-R141 WeakPolarHBondContact CA-O 3.22Å; V129-W142 HydrophobicContact CG1-CG 4.47Å
130	Q	95.3	Very high	88.7	Confident	30 Å²	30	50.8 Å²	50.8	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.2	179.6	-43.5	179.9	-65.5	0	0	110.9	F73 K74 E128 V140 R141	F73-Q130 HydrophobicContact CB-CB 3.82Å; F73-Q130 HydrophobicContact CD1-CB 3.73Å; F73-Q130 HydrophobicContact CG-CB 4.09Å; K74-Q130 CarbonylContact O-C 3.55Å; K74-Q130 VanDerWaalsContact O-CA 3.24Å; K74-Q130 WeakPolarHBondContact O-CA 3.39Å; E128-Q130 HydrophobicContact CG-CG 3.93Å; E128-Q130 PolarHBondContact OE1-NE2 2.87Å; Q130-V140 CarbonylContact O-C 3.58Å; Q130-V140 WeakPolarHBondContact O-CA 3.4Å; Q130-R141 HydrophobicContact CB-CB 4.44Å; Q130-R141 PolarHBondContact N-O 3.36Å; Q130-R141 PolarHBondContact O-N 2.97Å
131	V	96.3	Very high	89.1	Confident	9 Å²	9	50 Å²	50	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.5	-178.9	177	0	0	0	0	111	K74 L76 I100 F138 A139 V140	K74-V131 PolarHBondContact N-O 3.39Å; K74-V131 PolarHBondContact O-N 3.11Å; L76-V131 HydrophobicContact CD1-CB 4.26Å; L76-V131 HydrophobicContact CD1-CG2 3.33Å; L76-V131 HydrophobicContact CG-CG2 3.95Å; I100-V131 HydrophobicContact CB-CG2 4.48Å; I100-V131 HydrophobicContact CD1-CG2 4.37Å; I100-V131 HydrophobicContact CG1-CG2 4.01Å; I100-V131 HydrophobicContact CG2-CG2 4.22Å; V131-F138 HydrophobicContact CG1-CE2 3.76Å; V131-F138 HydrophobicContact CG1-CZ 3.95Å; V131-A139 CarbonylContact C-O 3.55Å; V131-A139 WeakPolarHBondContact CA-O 3.12Å; V131-V140 HydrophobicContact CG2-CG1 4.15Å; V131-V140 HydrophobicContact CG2-CG2 4.13Å
132	L	96.2	Very high	89.8	Confident	9 Å²	9	50 Å²	50	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.4	171	173.7	70	0	0	0	107.5	L68 F73 E134 F138 A139	L68-L132 HydrophobicContact CD1-CD2 4.42Å; F73-L132 HydrophobicContact CD1-CB 3.8Å; F73-L132 HydrophobicContact CE1-CB 3.66Å; F73-L132 HydrophobicContact CE2-CD2 4.35Å; F73-L132 HydrophobicContact CG-CB 4.31Å; F73-L132 HydrophobicContact CZ-CB 4.06Å; F73-L132 HydrophobicContact CZ-CD2 4.24Å; L132-E134 HydrophobicContact CD1-CG 3.71Å; L132-E134 HydrophobicContact CG-CG 3.99Å; L132-F138 CarbonylContact O-C 3.4Å; L132-F138 WeakPolarHBondContact O-CA 3.48Å; L132-A139 HydrophobicContact CB-CB 4.17Å; L132-A139 HydrophobicContact CD2-CB 4.4Å; L132-A139 PolarHBondContact N-O 2.86Å; L132-A139 PolarHBondContact O-N 3.06Å
133	N	96.2	Very high	90.8	Very high	35 Å²	35	49.9 Å²	49.9	19%	0.187	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	92.8	-177.9	-179.7	17.5	0	0	0	109.2	V82 K83 N85 F138	V82-N133 HydrophobicContact CG1-CB 4.23Å; V82-N133 VanDerWaalsContact CG1-ND2 3.31Å; V82-N133 WeakPolarHBondContact CG1-ND2 3.24Å; K83-N133 PolarHBondContact O-ND2 3.04Å; N85-N133 PolarHBondContact N-OD1 3.39Å; N85-N133 PolarHBondContact ND2-O 3.24Å; N133-F138 HydrophobicContact CB-CD2 3.88Å; N133-F138 HydrophobicContact CB-CE2 4.22Å
134	E	95.2	Very high	91.5	Very high	88 Å²	88	39.6 Å²	39.6	41%	0.411	21%	0.205	S	C	.	.			trans	-111	173.2	-179.1	-61.6	-62.8	165.5	0	0	110.8	F86 L132 D136 L137	F86-E134 WeakPolarHBondContact CD1-O 3.25Å; L132-E134 HydrophobicContact CD1-CG 3.71Å; L132-E134 HydrophobicContact CG-CG 3.99Å; E134-D136 VanDerWaalsContact C-N 3.3Å; E134-D136 PolarHBondContact O-N 3.19Å; E134-L137 CarbonylContact C-O 3.58Å; E134-L137 WeakPolarHBondContact CA-O 3.49Å; E134-L137 WeakPolarHBondContact CB-O 3.25Å; E134-L137 PolarHBondContact N-O 3.38Å
135	K	94.8	Very high	92.2	Very high	171 Å²	171	45.5 Å²	45.5	74%	0.743	23%	0.23	S	C	*	.	S	Bend	trans	-70.7	-25.5	-177.2	-68.7	-178.9	179.4	177.4	0	113.8	F86	F86-K135 WeakPolarHBondContact CB-O 3.48Å
136	D	93.6	Very high	92.6	Very high	114 Å²	114	41.4 Å²	41.4	61%	0.61	21%	0.207	S	C	*	.	S	Bend	trans	-110.9	-7.2	-176	60.2	-26.3	0	0	0	112.8	E134 P163	E134-D136 VanDerWaalsContact C-N 3.3Å; E134-D136 PolarHBondContact O-N 3.19Å; D136-P163 WeakPolarHBondContact O-CD 3.35Å
137	L	95.3	Very high	92.7	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.105	24%	0.235	C	C	.	.			trans	-160	135.1	-175	178.3	64.3	0	0	0	112.1	L68 E134 A139 L160 Y162	L68-L137 HydrophobicContact CD1-CD2 3.24Å; E134-L137 CarbonylContact C-O 3.58Å; E134-L137 WeakPolarHBondContact CA-O 3.49Å; E134-L137 WeakPolarHBondContact CB-O 3.25Å; E134-L137 PolarHBondContact N-O 3.38Å; L137-A139 HydrophobicContact CD2-CB 4.49Å; L137-A139 HydrophobicContact CG-CB 4.43Å; L137-L160 HydrophobicContact CD1-CB 3.97Å; L137-L160 HydrophobicContact CD1-CD2 4.45Å; L137-Y162 HydrophobicContact CD1-CD1 3.9Å; L137-Y162 HydrophobicContact CD1-CE1 3.6Å; L137-Y162 HydrophobicContact CD1-CE2 4.42Å; L137-Y162 HydrophobicContact CD1-CG 4.44Å
138	F	96.9	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.8	160.9	178.1	-89.4	0	0	0	108.6	V82 F86 F98 I100 I106 V131 L132 N133 V140 L160 I161	V82-F138 HydrophobicContact CB-CE2 4.15Å; V82-F138 HydrophobicContact CG1-CE2 3.76Å; F86-F138 HydrophobicContact CE1-CB 3.79Å; F86-F138 HydrophobicContact CZ-CB 3.65Å; F98-F138 HydrophobicContact CB-CZ 4.2Å; F98-F138 AromaticContact CD2-CD1 3.9Å; F98-F138 HydrophobicContact CD2-CD1 3.9Å; F98-F138 HydrophobicContact CD2-CD2 4.07Å; F98-F138 AromaticContact CD2-CE1 3.71Å; F98-F138 HydrophobicContact CD2-CE1 3.71Å; F98-F138 AromaticContact CD2-CE2 3.93Å; F98-F138 HydrophobicContact CD2-CE2 3.93Å; F98-F138 HydrophobicContact CD2-CG 4.06Å; F98-F138 AromaticContact CD2-CZ 3.74Å; F98-F138 HydrophobicContact CD2-CZ 3.74Å; F98-F138 HydrophobicContact CE2-CB 4.45Å; F98-F138 AromaticContact CE2-CD1 3.91Å; F98-F138 HydrophobicContact CE2-CD1 3.91Å; F98-F138 HydrophobicContact CE2-CD2 4.34Å; F98-F138 HydrophobicContact CE2-CE1 4.19Å; F98-F138 AromaticContact CE2-CG 3.98Å; F98-F138 HydrophobicContact CE2-CG 3.98Å; F98-F138 HydrophobicContact CG-CE1 4.27Å; F98-F138 HydrophobicContact CG-CZ 4.31Å; I100-F138 HydrophobicContact CD1-CZ 3.99Å; I100-F138 HydrophobicContact CG1-CZ 4.14Å; I106-F138 HydrophobicContact CD1-CE1 4.29Å; V131-F138 HydrophobicContact CG1-CE2 3.76Å; V131-F138 HydrophobicContact CG1-CZ 3.95Å; L132-F138 CarbonylContact O-C 3.4Å; L132-F138 WeakPolarHBondContact O-CA 3.48Å; N133-F138 HydrophobicContact CB-CD2 3.88Å; N133-F138 HydrophobicContact CB-CE2 4.22Å; F138-V140 HydrophobicContact CD1-CG2 4.36Å; F138-V140 HydrophobicContact CE1-CG2 3.43Å; F138-V140 VanDerWaalsContact CE1-CG2 3.43Å; F138-V140 HydrophobicContact CZ-CG2 3.83Å; F138-L160 CarbonylContact O-C 3.55Å; F138-L160 WeakPolarHBondContact O-CA 3.48Å; F138-I161 HydrophobicContact CB-CB 4.27Å; F138-I161 HydrophobicContact CD1-CB 4.37Å; F138-I161 HydrophobicContact CD1-CD1 3.96Å; F138-I161 HydrophobicContact CD1-CG1 4.33Å; F138-I161 HydrophobicContact CE1-CD1 4.41Å; F138-I161 PolarHBondContact N-O 3.46Å; F138-I161 PolarHBondContact O-N 2.93Å
139	A	97	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.5	-179	0	0	0	0	0	111.8	L68 F73 V131 L132 L137 C159 L160	L68-A139 HydrophobicContact CD1-CB 4.36Å; F73-A139 HydrophobicContact CE1-CB 4.12Å; F73-A139 HydrophobicContact CZ-CB 4.12Å; V131-A139 CarbonylContact C-O 3.55Å; V131-A139 WeakPolarHBondContact CA-O 3.12Å; L132-A139 HydrophobicContact CB-CB 4.17Å; L132-A139 HydrophobicContact CD2-CB 4.4Å; L132-A139 PolarHBondContact N-O 2.86Å; L132-A139 PolarHBondContact O-N 3.06Å; L137-A139 HydrophobicContact CD2-CB 4.49Å; L137-A139 HydrophobicContact CG-CB 4.43Å; A139-C159 CarbonylContact C-O 3.48Å; A139-C159 WeakPolarHBondContact CA-O 3.38Å; A139-L160 HydrophobicContact CB-CD2 3.34Å
140	V	96.4	Very high	90.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.9	169.5	-170.1	0	0	0	0	108.5	I100 I106 V129 Q130 V131 F138 W142 F158 C159	I100-V140 HydrophobicContact CG1-CG2 4.01Å; I100-V140 HydrophobicContact CG2-CG1 3.75Å; I100-V140 HydrophobicContact CG2-CG2 4.4Å; I106-V140 HydrophobicContact CD1-CB 4.29Å; I106-V140 HydrophobicContact CD1-CG2 3.65Å; I106-V140 HydrophobicContact CG1-CG2 4.21Å; V129-V140 HydrophobicContact CG1-CG1 4.09Å; Q130-V140 CarbonylContact O-C 3.58Å; Q130-V140 WeakPolarHBondContact O-CA 3.4Å; V131-V140 HydrophobicContact CG2-CG1 4.15Å; V131-V140 HydrophobicContact CG2-CG2 4.13Å; F138-V140 HydrophobicContact CD1-CG2 4.36Å; F138-V140 HydrophobicContact CE1-CG2 3.43Å; F138-V140 VanDerWaalsContact CE1-CG2 3.43Å; F138-V140 HydrophobicContact CZ-CG2 3.83Å; V140-W142 HydrophobicContact CB-CE3 4.35Å; V140-W142 HydrophobicContact CB-CH2 3.64Å; V140-W142 HydrophobicContact CB-CZ2 3.86Å; V140-W142 HydrophobicContact CB-CZ3 3.9Å; V140-W142 HydrophobicContact CG1-CD2 3.78Å; V140-W142 VanDerWaalsContact CG1-CE2 3.41Å; V140-W142 HydrophobicContact CG1-CE3 4.04Å; V140-W142 HydrophobicContact CG1-CH2 3.69Å; V140-W142 HydrophobicContact CG1-CZ2 3.38Å; V140-W142 HydrophobicContact CG1-CZ3 4Å; V140-W142 HydrophobicContact CG2-CH2 4.36Å; V140-W142 HydrophobicContact CG2-CZ2 4.49Å; V140-F158 CarbonylContact O-C 3.54Å; V140-F158 WeakPolarHBondContact O-CA 3.34Å; V140-C159 PolarHBondContact N-O 3.37Å; V140-C159 PolarHBondContact O-N 3.13Å
141	R	95.2	Very high	90.3	Very high	56 Å²	56	57.2 Å²	57.2	21%	0.211	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.6	172.8	-175.1	-172	-178.2	-140.6	-0.4	108.4	F73 V129 Q130 T156 I157 F158 E172	F73-R141 HydrophobicContact CE1-CB 4.16Å; V129-R141 CarbonylContact C-O 3.55Å; V129-R141 WeakPolarHBondContact CA-O 3.22Å; Q130-R141 HydrophobicContact CB-CB 4.44Å; Q130-R141 PolarHBondContact N-O 3.36Å; Q130-R141 PolarHBondContact O-N 2.97Å; R141-T156 HydrophobicContact CG-CG2 4.13Å; R141-I157 CarbonylContact C-O 3.57Å; R141-I157 VanDerWaalsContact CA-O 3.3Å; R141-I157 WeakPolarHBondContact CA-O 3.31Å; R141-F158 HydrophobicContact CB-CD1 3.99Å; R141-F158 HydrophobicContact CB-CE1 3.94Å; R141-F158 VanDerWaalsContact CD-CZ 3.47Å; R141-F158 HydrophobicContact CG-CD1 4.01Å; R141-F158 HydrophobicContact CG-CD2 4.48Å; R141-F158 HydrophobicContact CG-CE1 3.65Å; R141-F158 HydrophobicContact CG-CE2 4.14Å; R141-F158 HydrophobicContact CG-CG 4.42Å; R141-F158 HydrophobicContact CG-CZ 3.73Å; R141-E172 IonicContact NH2-OE2 3.06Å
142	W	94.1	Very high	89.8	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	169.7	-56.2	-99.7	0	0	0	110.3	I100 L101 I106 F126 E128 V129 V140 T156 I157 C159	I100-W142 HydrophobicContact CG2-CZ2 4.43Å; L101-W142 PolarHBondContact O-NE1 2.92Å; L101-W142 VanDerWaalsContact O-NE1 3.16Å; I106-W142 HydrophobicContact CD1-CH2 3.76Å; I106-W142 HydrophobicContact CD1-CZ2 4.27Å; I106-W142 HydrophobicContact CG1-CH2 3.7Å; I106-W142 HydrophobicContact CG1-CZ2 3.75Å; F126-W142 HydrophobicContact CD1-CB 3.28Å; F126-W142 HydrophobicContact CD1-CG 4.17Å; F126-W142 HydrophobicContact CE1-CB 3.4Å; F126-W142 HydrophobicContact CE1-CG 4.23Å; F126-W142 HydrophobicContact CG-CB 3.94Å; F126-W142 HydrophobicContact CG-CG 4.43Å; F126-W142 HydrophobicContact CZ-CB 4.19Å; E128-W142 WeakPolarHBondContact O-CA 3.43Å; V129-W142 HydrophobicContact CG1-CG 4.47Å; V140-W142 HydrophobicContact CB-CE3 4.35Å; V140-W142 HydrophobicContact CB-CH2 3.64Å; V140-W142 HydrophobicContact CB-CZ2 3.86Å; V140-W142 HydrophobicContact CB-CZ3 3.9Å; V140-W142 HydrophobicContact CG1-CD2 3.78Å; V140-W142 VanDerWaalsContact CG1-CE2 3.41Å; V140-W142 HydrophobicContact CG1-CE3 4.04Å; V140-W142 HydrophobicContact CG1-CH2 3.69Å; V140-W142 HydrophobicContact CG1-CZ2 3.38Å; V140-W142 HydrophobicContact CG1-CZ3 4Å; V140-W142 HydrophobicContact CG2-CH2 4.36Å; V140-W142 HydrophobicContact CG2-CZ2 4.49Å; W142-T156 WeakPolarHBondContact O-CA 3.47Å; W142-I157 PolarHBondContact N-O 3Å; W142-I157 PolarHBondContact O-N 2.82Å; W142-C159 HydrophobicContact CH2-CB 3.83Å; W142-C159 HydrophobicContact CZ3-CB 3.51Å
143	S	93.4	Very high	89.5	Confident	10 Å²	10	62.6 Å²	62.6	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	175.9	-47.4	0	0	0	0	110.4	S127 E128 A155	S127-S143 PolarHBondContact N-O 3.26Å; S127-S143 PolarHBondContact OG-O 2.84Å; E128-S143 PolarHBondContact N-O 2.96Å; E128-S143 PolarHBondContact O-N 3.33Å; S143-A155 CarbonylContact C-O 3.51Å; S143-A155 VanDerWaalsContact CA-O 3.26Å; S143-A155 WeakPolarHBondContact CA-O 3.19Å
144	I	89.2	Confident	89.2	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.1	170.4	-57.2	-176.7	0	0	0	108	L121 I124 F126 T154 A155	L121-I144 HydrophobicContact CB-CD1 3.79Å; L121-I144 HydrophobicContact CD1-CD1 3.74Å; L121-I144 HydrophobicContact CD1-CG1 4.46Å; L121-I144 HydrophobicContact CG-CD1 4.34Å; I124-I144 HydrophobicContact CB-CG2 3.85Å; I124-I144 HydrophobicContact CD1-CG2 4.32Å; I124-I144 HydrophobicContact CG2-CG2 3.56Å; F126-I144 HydrophobicContact CB-CG1 4.46Å; F126-I144 HydrophobicContact CD1-CB 4.47Å; F126-I144 HydrophobicContact CD1-CD1 3.83Å; F126-I144 HydrophobicContact CD1-CG1 3.17Å; F126-I144 HydrophobicContact CE1-CD1 3.63Å; F126-I144 HydrophobicContact CE1-CG1 3.43Å; F126-I144 VanDerWaalsContact CE1-CG1 3.43Å; F126-I144 HydrophobicContact CE2-CD1 4.36Å; F126-I144 HydrophobicContact CG-CD1 4.36Å; F126-I144 HydrophobicContact CG-CG1 3.84Å; F126-I144 HydrophobicContact CZ-CD1 3.93Å; F126-I144 HydrophobicContact CZ-CG1 4.2Å; I144-T154 VanDerWaalsContact O-CA 3.27Å; I144-T154 WeakPolarHBondContact O-CA 3.14Å; I144-A155 HydrophobicContact CB-CB 4.26Å; I144-A155 HydrophobicContact CD1-CB 4.49Å; I144-A155 HydrophobicContact CG1-CB 4.47Å; I144-A155 PolarHBondContact N-O 2.89Å; I144-A155 PolarHBondContact O-N 2.82Å; I144-A155 VanDerWaalsContact O-N 3.07Å
145	K	87	Confident	89.1	Confident	147 Å²	147	58.7 Å²	58.7	64%	0.639	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	104.8	163.3	-167.1	176.6	-173.6	177.4	0	108.9	S127 T154	S127-K145 PolarHBondContact OG-N 2.82Å; S127-K145 VanDerWaalsContact OG-N 3.1Å; K145-T154 HydrophobicContact CG-CG2 4.4Å
146	G	84.5	Confident	89.1	Confident	19 Å²	19	51.4 Å²	51.4	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-163.2	-176.4	0	0	0	0	0	113.6	Q152 V153	G146-Q152 WeakPolarHBondContact O-CA 3.34Å; G146-V153 PolarHBondContact N-O 3.13Å; G146-V153 PolarHBondContact O-N 3.06Å
147	K	79.2	Confident	89.1	Confident	157 Å²	157	46 Å²	46	68%	0.683	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.3	173.3	-65.3	-175.7	-178.9	-178.8	0	110.4	K151	K147-K151 CarbonylContact C-O 3.59Å; K147-K151 WeakPolarHBondContact CA-O 3.4Å
148	D	73.6	Confident	89.1	Confident	13 Å²	13	45.5 Å²	45.5	7%	0.07	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	167.2	-165.3	-5.6	0	0	0	108.6	I124 S150 K151 V153 R182	I124-D148 HydrophobicContact CD1-CB 4.1Å; D148-S150 PolarHBondContact O-N 3.49Å; D148-S150 VanDerWaalsContact O-N 3.11Å; D148-K151 PolarHBondContact N-O 3.44Å; D148-K151 WeakPolarHBondContact O-CB 3.38Å; D148-K151 PolarHBondContact O-N 3.04Å; D148-V153 HydrophobicContact CB-CG2 3.71Å; D148-R182 IonicContact OD1-CZ 2.73Å; D148-R182 IonicContact OD1-NH1 3.27Å; D148-R182 PolarHBondContact OD1-NH1 3.08Å; D148-R182 IonicContact OD1-NH2 3.7Å; D148-R182 IonicContact OD2-CZ 2.82Å; D148-R182 IonicContact OD2-NH1 3.74Å; D148-R182 PolarHBondContact OD2-NH1 2.82Å
149	N	79.3	Confident	89.1	Confident	131 Å²	131	45.5 Å²	45.5	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	45.3	-177.6	-63.7	-25.1	0	0	0	113.3	K151	N149-K151 PolarHBondContact O-N 3.14Å
150	S	79.3	Confident	89.1	Confident	116 Å²	116	45.5 Å²	45.5	81%	0.811	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	-6	-176.9	-52.2	0	0	0	0	116.9	D148	D148-S150 PolarHBondContact O-N 3.49Å; D148-S150 VanDerWaalsContact O-N 3.11Å
151	K	84.2	Confident	89.2	Confident	103 Å²	103	45.5 Å²	45.5	45%	0.448	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.1	173.6	-61.7	-167.6	179	-169.6	0	110.7	K147 D148 N149 V153 E177	K147-K151 CarbonylContact C-O 3.59Å; K147-K151 WeakPolarHBondContact CA-O 3.4Å; D148-K151 PolarHBondContact N-O 3.44Å; D148-K151 WeakPolarHBondContact O-CB 3.38Å; D148-K151 PolarHBondContact O-N 3.04Å; N149-K151 PolarHBondContact O-N 3.14Å; K151-V153 PolarHBondContact O-N 3.07Å; K151-E177 HydrophobicContact CB-CB 4.45Å; K151-E177 HydrophobicContact CD-CB 4.15Å; K151-E177 HydrophobicContact CD-CG 3.88Å; K151-E177 WeakPolarHBondContact CD-OE2 3.49Å; K151-E177 WeakPolarHBondContact CE-OE2 3.14Å; K151-E177 IonicContact NZ-OE1 3.98Å; K151-E177 PolarHBondContact NZ-OE1 3.26Å; K151-E177 IonicContact NZ-OE2 2.84Å; K151-E177 PolarHBondContact NZ-OE2 3.3Å
152	Q	85.7	Confident	89.2	Confident	131 Å²	131	45.5 Å²	45.5	61%	0.612	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.1	173.9	-171.7	162.7	24.1	0	0	109.3	G146	G146-Q152 WeakPolarHBondContact O-CA 3.34Å
153	V	88.3	Confident	89.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129	179.9	167.4	0	0	0	0	108.3	I124 G146 D148 K151 E177 I178	I124-V153 HydrophobicContact CD1-CB 3.9Å; I124-V153 HydrophobicContact CD1-CG1 4.05Å; G146-V153 PolarHBondContact N-O 3.13Å; G146-V153 PolarHBondContact O-N 3.06Å; D148-V153 HydrophobicContact CB-CG2 3.71Å; K151-V153 PolarHBondContact O-N 3.07Å; V153-E177 HydrophobicContact CG2-CB 4.32Å; V153-I178 HydrophobicContact CB-CG1 4.49Å; V153-I178 HydrophobicContact CG1-CD1 3.67Å; V153-I178 HydrophobicContact CG1-CG1 3.37Å; V153-I178 HydrophobicContact CG2-CG1 4.33Å
154	T	91.6	Very high	89.2	Confident	41 Å²	41	50.5 Å²	50.5	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.8	168.3	56.7	0	0	0	0	110.4	I144 K145 D173 S175	I144-T154 VanDerWaalsContact O-CA 3.27Å; I144-T154 WeakPolarHBondContact O-CA 3.14Å; K145-T154 HydrophobicContact CG-CG2 4.4Å; T154-D173 WeakPolarHBondContact CB-OD2 3.29Å; T154-D173 PolarHBondContact OG1-OD2 3.38Å; T154-S175 PolarHBondContact N-OG 3.5Å; T154-S175 VanDerWaalsContact O-CB 3.32Å; T154-S175 WeakPolarHBondContact O-CB 3.14Å; T154-S175 PolarHBondContact O-N 3.36Å; T154-S175 PolarHBondContact O-OG 2.83Å; T154-S175 PolarHBondContact OG1-OG 2.73Å; T154-S175 VanDerWaalsContact OG1-OG 3.09Å
155	A	92.5	Very high	89.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.9	166.1	0	0	0	0	0	111.2	L121 S143 I144 D173 I174 I178	L121-A155 HydrophobicContact CD1-CB 3.22Å; S143-A155 CarbonylContact C-O 3.51Å; S143-A155 VanDerWaalsContact CA-O 3.26Å; S143-A155 WeakPolarHBondContact CA-O 3.19Å; I144-A155 HydrophobicContact CB-CB 4.26Å; I144-A155 HydrophobicContact CD1-CB 4.49Å; I144-A155 HydrophobicContact CG1-CB 4.47Å; I144-A155 PolarHBondContact N-O 2.89Å; I144-A155 PolarHBondContact O-N 2.82Å; I144-A155 VanDerWaalsContact O-N 3.07Å; A155-D173 CarbonylContact C-O 3.52Å; A155-D173 WeakPolarHBondContact CA-O 3.33Å; A155-I174 HydrophobicContact CB-CD1 3.99Å; A155-I178 HydrophobicContact CB-CD1 4.19Å
156	T	93.8	Very high	89.7	Confident	17 Å²	17	45.3 Å²	45.3	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.1	174.1	-54.5	0	0	0	0	109.1	R141 W142 F158 E172 D173	R141-T156 HydrophobicContact CG-CG2 4.13Å; W142-T156 WeakPolarHBondContact O-CA 3.47Å; T156-F158 HydrophobicContact CG2-CD2 4.41Å; T156-F158 HydrophobicContact CG2-CE2 3.77Å; T156-F158 HydrophobicContact CG2-CZ 4.41Å; T156-E172 HydrophobicContact CG2-CB 4.22Å; T156-E172 WeakPolarHBondContact CG2-OE2 3.25Å; T156-E172 PolarHBondContact O-N 3.42Å; T156-D173 PolarHBondContact N-O 3.35Å
157	I	94.2	Very high	90.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.7	178.7	-49.6	179.4	0	0	0	109.3	N119 L121 R141 W142 I169 Y170 Y171 I174 L185	N119-I157 HydrophobicContact CB-CD1 3.84Å; L121-I157 HydrophobicContact CD1-CD1 3.56Å; L121-I157 HydrophobicContact CD1-CG1 3.91Å; L121-I157 HydrophobicContact CD2-CD1 3.8Å; L121-I157 HydrophobicContact CG-CD1 3.65Å; R141-I157 CarbonylContact C-O 3.57Å; R141-I157 VanDerWaalsContact CA-O 3.3Å; R141-I157 WeakPolarHBondContact CA-O 3.31Å; W142-I157 PolarHBondContact N-O 3Å; W142-I157 PolarHBondContact O-N 2.82Å; I157-I169 HydrophobicContact CG2-CG2 3.65Å; I157-Y170 WeakPolarHBondContact CA-O 3.36Å; I157-Y171 HydrophobicContact CD1-CD1 4.38Å; I157-Y171 HydrophobicContact CD1-CE1 4.21Å; I157-Y171 HydrophobicContact CG1-CD1 4.11Å; I157-Y171 HydrophobicContact CG1-CE1 4.4Å; I157-Y171 HydrophobicContact CG2-CD1 4.34Å; I157-Y171 HydrophobicContact CG2-CE1 4.26Å; I157-I174 HydrophobicContact CG1-CD1 4.47Å; I157-L185 HydrophobicContact CD1-CD2 4.38Å
158	F	95.8	Very high	91.2	Very high	10 Å²	10	37 Å²	37	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.5	165.6	-65.1	-102.3	0	0	0	109.7	N66 L68 F73 V140 R141 T156 L160 I169 Y170 E172	N66-F158 VanDerWaalsContact ND2-CE2 3.28Å; N66-F158 WeakPolarHBondContact ND2-CE2 3.41Å; N66-F158 WeakPolarHBondContact ND2-CZ 3.48Å; L68-F158 HydrophobicContact CD2-CD1 4.09Å; L68-F158 HydrophobicContact CD2-CE1 3.99Å; F73-F158 HydrophobicContact CZ-CD1 4.39Å; F73-F158 HydrophobicContact CZ-CE1 4.21Å; V140-F158 CarbonylContact O-C 3.54Å; V140-F158 WeakPolarHBondContact O-CA 3.34Å; R141-F158 HydrophobicContact CB-CD1 3.99Å; R141-F158 HydrophobicContact CB-CE1 3.94Å; R141-F158 VanDerWaalsContact CD-CZ 3.47Å; R141-F158 HydrophobicContact CG-CD1 4.01Å; R141-F158 HydrophobicContact CG-CD2 4.48Å; R141-F158 HydrophobicContact CG-CE1 3.65Å; R141-F158 HydrophobicContact CG-CE2 4.14Å; R141-F158 HydrophobicContact CG-CG 4.42Å; R141-F158 HydrophobicContact CG-CZ 3.73Å; T156-F158 HydrophobicContact CG2-CD2 4.41Å; T156-F158 HydrophobicContact CG2-CE2 3.77Å; T156-F158 HydrophobicContact CG2-CZ 4.41Å; F158-L160 HydrophobicContact CB-CD2 4.34Å; F158-I169 CarbonylContact O-C 3.58Å; F158-I169 VanDerWaalsContact O-CA 3.25Å; F158-I169 WeakPolarHBondContact O-CA 3.4Å; F158-Y170 HydrophobicContact CD2-CD1 4.09Å; F158-Y170 PolarHBondContact N-O 3.5Å; F158-Y170 PolarHBondContact O-N 3.31Å; F158-E172 HydrophobicContact CD2-CB 4.3Å; F158-E172 HydrophobicContact CE2-CB 3.97Å; F158-E172 HydrophobicContact CE2-CG 4.46Å; F158-E172 WeakPolarHBondContact CE2-OE2 3.43Å
159	C	96.8	Very high	92.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	161.5	178.4	0	0	0	0	108.2	I106 A139 V140 W142 S168	I106-C159 HydrophobicContact CD1-CB 4.27Å; A139-C159 CarbonylContact C-O 3.48Å; A139-C159 WeakPolarHBondContact CA-O 3.38Å; V140-C159 PolarHBondContact N-O 3.37Å; V140-C159 PolarHBondContact O-N 3.13Å; W142-C159 HydrophobicContact CH2-CB 3.83Å; W142-C159 HydrophobicContact CZ3-CB 3.51Å; C159-S168 CarbonylContact C-O 3.48Å; C159-S168 WeakPolarHBondContact CA-O 3.46Å
160	L	97	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.4	-178.2	-53.9	-173.7	0	0	0	108.5	P67 L68 L137 F138 A139 F158 Y162 I167 S168	P67-L160 HydrophobicContact CB-CD1 4.24Å; P67-L160 HydrophobicContact CG-CD1 3.65Å; L68-L160 HydrophobicContact CB-CD1 4.23Å; L68-L160 HydrophobicContact CB-CD2 4.4Å; L68-L160 HydrophobicContact CD1-CD1 4.42Å; L68-L160 HydrophobicContact CD1-CD2 3.78Å; L137-L160 HydrophobicContact CD1-CB 3.97Å; L137-L160 HydrophobicContact CD1-CD2 4.45Å; F138-L160 CarbonylContact O-C 3.55Å; F138-L160 WeakPolarHBondContact O-CA 3.48Å; A139-L160 HydrophobicContact CB-CD2 3.34Å; F158-L160 HydrophobicContact CB-CD2 4.34Å; L160-Y162 HydrophobicContact CB-CE2 3.88Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.45Å; L160-I167 CarbonylContact O-C 3.59Å; L160-I167 VanDerWaalsContact O-CA 3.31Å; L160-I167 WeakPolarHBondContact O-CA 3.41Å; L160-S168 PolarHBondContact N-O 3.25Å; L160-S168 PolarHBondContact O-N 3.33Å
161	I	97.4	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.9	-179.1	-56.8	178.6	0	0	0	108.2	F86 F88 F98 I106 I117 F138 I167	F86-I161 HydrophobicContact CE2-CG2 4.42Å; F86-I161 HydrophobicContact CZ-CG2 4.42Å; F86-I161 WeakPolarHBondContact CZ-O 3.47Å; F88-I161 HydrophobicContact CD1-CG2 4.16Å; F88-I161 HydrophobicContact CD2-CG2 3.52Å; F88-I161 HydrophobicContact CE1-CG2 3.99Å; F88-I161 HydrophobicContact CE2-CG2 3.29Å; F88-I161 HydrophobicContact CG-CG2 3.95Å; F88-I161 HydrophobicContact CZ-CG2 3.58Å; F98-I161 HydrophobicContact CE1-CD1 3.93Å; F98-I161 HydrophobicContact CE2-CD1 4.07Å; F98-I161 HydrophobicContact CZ-CD1 3.64Å; F98-I161 HydrophobicContact CZ-CG2 4.16Å; I106-I161 HydrophobicContact CD1-CD1 4.32Å; I117-I161 HydrophobicContact CD1-CD1 3.81Å; I117-I161 HydrophobicContact CD1-CG1 4.37Å; F138-I161 HydrophobicContact CB-CB 4.27Å; F138-I161 HydrophobicContact CD1-CB 4.37Å; F138-I161 HydrophobicContact CD1-CD1 3.96Å; F138-I161 HydrophobicContact CD1-CG1 4.33Å; F138-I161 HydrophobicContact CE1-CD1 4.41Å; F138-I161 PolarHBondContact N-O 3.46Å; F138-I161 PolarHBondContact O-N 2.93Å; I161-I167 HydrophobicContact CG1-CG1 4.5Å; I161-I167 HydrophobicContact CG1-CG2 4.46Å
162	Y	96	Very high	94.4	Very high	56 Å²	56	23.9 Å²	23.9	22%	0.22	13%	0.125	C	C	.	.			trans	-111.1	154.6	-175.5	-59.3	-89.3	0	0	0	111.6	F88 L137 L160 S164 G165 K166	F88-Y162 WeakPolarHBondContact CD2-O 3.49Å; L137-Y162 HydrophobicContact CD1-CD1 3.9Å; L137-Y162 HydrophobicContact CD1-CE1 3.6Å; L137-Y162 HydrophobicContact CD1-CE2 4.42Å; L137-Y162 HydrophobicContact CD1-CG 4.44Å; L160-Y162 HydrophobicContact CB-CE2 3.88Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.45Å; Y162-S164 PolarHBondContact O-N 3.41Å; Y162-S164 VanDerWaalsContact O-N 3.09Å; Y162-G165 PolarHBondContact O-N 3.24Å; Y162-K166 HydrophobicContact CD2-CB 3.97Å; Y162-K166 HydrophobicContact CD2-CD 4.16Å; Y162-K166 HydrophobicContact CD2-CG 3.96Å; Y162-K166 WeakPolarHBondContact CD2-O 3.47Å; Y162-K166 HydrophobicContact CE2-CD 4.39Å; Y162-K166 HydrophobicContact CE2-CG 4.44Å; Y162-K166 HydrophobicContact CG-CB 4.49Å; Y162-K166 PolarHBondContact N-O 2.01Å
163	P	95.1	Very high	94.8	Very high	58 Å²	58	20.4 Å²	20.4	38%	0.377	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.8	175.6	-25.5	31.6	0	0	0	114.8	F86 D136 G165	F86-P163 HydrophobicContact CB-CB 4.34Å; F86-P163 HydrophobicContact CB-CG 4.01Å; F86-P163 HydrophobicContact CD1-CG 4.24Å; F86-P163 HydrophobicContact CD2-CB 3.96Å; F86-P163 HydrophobicContact CD2-CG 3.78Å; F86-P163 HydrophobicContact CE2-CG 4.27Å; F86-P163 HydrophobicContact CG-CB 4.28Å; F86-P163 HydrophobicContact CG-CG 3.75Å; D136-P163 WeakPolarHBondContact O-CD 3.35Å; P163-G165 PolarHBondContact O-N 3.1Å
164	S	92.5	Very high	95	Very high	56 Å²	56	21 Å²	21	39%	0.392	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.3	176.4	58.4	0	0	0	0	114.2	Y162 K166	Y162-S164 PolarHBondContact O-N 3.41Å; Y162-S164 VanDerWaalsContact O-N 3.09Å; S164-K166 VanDerWaalsContact C-N 3.28Å; S164-K166 WeakPolarHBondContact OG-CB 3.33Å; S164-K166 PolarHBondContact OG-N 2.94Å
165	G	93.2	Very high	95	Very high	4 Å²	4	20.1 Å²	20.1	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	89.3	-5.2	-171	0	0	0	0	0	113.4	F88 Y162 P163	F88-G165 VanDerWaalsContact CE2-CA 3.46Å; Y162-G165 PolarHBondContact O-N 3.24Å; P163-G165 PolarHBondContact O-N 3.1Å
166	K	94.5	Very high	94.8	Very high	39 Å²	39	26.8 Å²	26.8	17%	0.17	15%	0.15	C	C	.	.			trans	-65.9	137	174.6	-178.6	177	-176.3	165.4	0	110.8	Y162 S164 S168 E216 Y217 E218	Y162-K166 HydrophobicContact CD2-CB 3.97Å; Y162-K166 HydrophobicContact CD2-CD 4.16Å; Y162-K166 HydrophobicContact CD2-CG 3.96Å; Y162-K166 WeakPolarHBondContact CD2-O 3.47Å; Y162-K166 HydrophobicContact CE2-CD 4.39Å; Y162-K166 HydrophobicContact CE2-CG 4.44Å; Y162-K166 HydrophobicContact CG-CB 4.49Å; Y162-K166 PolarHBondContact N-O 2.01Å; S164-K166 VanDerWaalsContact C-N 3.28Å; S164-K166 WeakPolarHBondContact OG-CB 3.33Å; S164-K166 PolarHBondContact OG-N 2.94Å; K166-S168 WeakPolarHBondContact CE-OG 3.5Å; K166-E216 WeakPolarHBondContact CE-OE1 3.43Å; K166-E216 IonicContact NZ-OE1 2.81Å; K166-E216 PolarHBondContact NZ-OE1 2.89Å; K166-Y217 CarbonylContact C-O 3.54Å; K166-Y217 VanDerWaalsContact CA-O 3.29Å; K166-Y217 WeakPolarHBondContact CA-O 3.2Å; K166-E218 HydrophobicContact CB-CG 4.08Å; K166-E218 HydrophobicContact CD-CG 4.1Å; K166-E218 WeakPolarHBondContact CD-OE1 3.29Å; K166-E218 HydrophobicContact CG-CG 3.82Å; K166-E218 IonicContact NZ-OE1 2.66Å; K166-E218 PolarHBondContact NZ-OE1 3.18Å
167	I	96.9	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	172.8	-55.7	165.5	0	0	0	107.7	F88 Y90 I117 L160 I161 L187 E216 Y217	F88-I167 HydrophobicContact CE2-CG1 4.36Å; F88-I167 HydrophobicContact CZ-CD1 4.06Å; F88-I167 HydrophobicContact CZ-CG1 4.01Å; Y90-I167 HydrophobicContact CD2-CD1 4.04Å; Y90-I167 HydrophobicContact CE2-CD1 3.91Å; I117-I167 HydrophobicContact CD1-CD1 4.15Å; I117-I167 HydrophobicContact CD1-CG2 3.99Å; L160-I167 CarbonylContact O-C 3.59Å; L160-I167 VanDerWaalsContact O-CA 3.31Å; L160-I167 WeakPolarHBondContact O-CA 3.41Å; I161-I167 HydrophobicContact CG1-CG1 4.5Å; I161-I167 HydrophobicContact CG1-CG2 4.46Å; I167-L187 HydrophobicContact CD1-CD1 4.32Å; I167-L187 HydrophobicContact CD1-CD2 3.95Å; I167-E216 CarbonylContact O-C 3.56Å; I167-E216 WeakPolarHBondContact O-CA 3.28Å; I167-Y217 HydrophobicContact CB-CD2 4.4Å; I167-Y217 HydrophobicContact CG2-CD2 4.48Å; I167-Y217 PolarHBondContact N-O 3.43Å; I167-Y217 PolarHBondContact O-N 3.34Å
168	S	96.8	Very high	93.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.7	175.2	-64.9	0	0	0	0	110.6	C159 L160 K166 V215	C159-S168 CarbonylContact C-O 3.48Å; C159-S168 WeakPolarHBondContact CA-O 3.46Å; L160-S168 PolarHBondContact N-O 3.25Å; L160-S168 PolarHBondContact O-N 3.33Å; K166-S168 WeakPolarHBondContact CE-OG 3.5Å; S168-V215 CarbonylContact C-O 3.54Å; S168-V215 VanDerWaalsContact CA-O 3.24Å; S168-V215 WeakPolarHBondContact CA-O 3.48Å
169	I	96.9	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	173.2	-53.5	175.4	0	0	0	107.7	I117 I157 F158 Y171 V215 Y217	I117-I169 HydrophobicContact CG2-CD1 4.21Å; I157-I169 HydrophobicContact CG2-CG2 3.65Å; F158-I169 CarbonylContact O-C 3.58Å; F158-I169 VanDerWaalsContact O-CA 3.25Å; F158-I169 WeakPolarHBondContact O-CA 3.4Å; I169-Y171 HydrophobicContact CG2-CE1 4Å; I169-Y171 HydrophobicContact CG2-CE2 4.32Å; I169-V215 HydrophobicContact CB-CB 4.31Å; I169-V215 PolarHBondContact N-O 2.9Å; I169-V215 PolarHBondContact O-N 3.45Å; I169-Y217 HydrophobicContact CD1-CE2 4.08Å
170	Y	97.2	Very high	92.8	Very high	18 Å²	18	36.4 Å²	36.4	7%	0.071	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.5	179.6	178.8	-108.6	0	0	0	110.8	Q64 N66 I157 F158 E172 T213 L214	Q64-Y170 WeakPolarHBondContact O-CE2 3.45Å; Q64-Y170 PolarHBondContact O-OH 3.2Å; N66-Y170 VanDerWaalsContact CA-CE1 3.44Å; N66-Y170 HydrophobicContact CB-CD1 3.91Å; N66-Y170 HydrophobicContact CB-CE1 3.44Å; N66-Y170 VanDerWaalsContact CB-CE1 3.44Å; N66-Y170 PolarHBondContact N-OH 3.46Å; I157-Y170 WeakPolarHBondContact CA-O 3.36Å; F158-Y170 HydrophobicContact CD2-CD1 4.09Å; F158-Y170 PolarHBondContact N-O 3.5Å; F158-Y170 PolarHBondContact O-N 3.31Å; Y170-E172 HydrophobicContact CD1-CB 4.01Å; Y170-E172 VanDerWaalsContact CE1-CA 3.46Å; Y170-E172 HydrophobicContact CE1-CB 3.58Å; Y170-E172 HydrophobicContact CE1-CG 4.11Å; Y170-T213 WeakPolarHBondContact CA-O 3.38Å; Y170-T213 WeakPolarHBondContact CD2-O 3.35Å; Y170-L214 HydrophobicContact CD2-CB 4.27Å; Y170-L214 HydrophobicContact CD2-CD1 4.43Å
171	Y	95.7	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	96.9	176.6	-56.3	-73.5	0	0	0	108.8	I157 I169 I174 L185 I209 K210 S211 G212 T213 V215	I157-Y171 HydrophobicContact CD1-CD1 4.38Å; I157-Y171 HydrophobicContact CD1-CE1 4.21Å; I157-Y171 HydrophobicContact CG1-CD1 4.11Å; I157-Y171 HydrophobicContact CG1-CE1 4.4Å; I157-Y171 HydrophobicContact CG2-CD1 4.34Å; I157-Y171 HydrophobicContact CG2-CE1 4.26Å; I169-Y171 HydrophobicContact CG2-CE1 4Å; I169-Y171 HydrophobicContact CG2-CE2 4.32Å; Y171-I174 HydrophobicContact CD1-CD1 3.9Å; Y171-I174 HydrophobicContact CD1-CG1 4.25Å; Y171-I174 HydrophobicContact CG-CD1 4.46Å; Y171-I174 HydrophobicContact CG-CG1 4.33Å; Y171-L185 HydrophobicContact CD1-CD2 4.47Å; Y171-L185 HydrophobicContact CE1-CD2 3.21Å; Y171-L185 VanDerWaalsContact CZ-CD2 3.45Å; Y171-L185 WeakPolarHBondContact OH-CD2 3.39Å; Y171-I209 HydrophobicContact CD1-CG2 4.11Å; Y171-I209 HydrophobicContact CE1-CG2 3.95Å; Y171-K210 WeakPolarHBondContact CB-O 3.34Å; Y171-S211 CarbonylContact O-C 3.49Å; Y171-S211 WeakPolarHBondContact O-CA 3.37Å; Y171-G212 PolarHBondContact O-N 2.03Å; Y171-T213 HydrophobicContact CD2-CG2 4.01Å; Y171-T213 WeakPolarHBondContact CD2-O 3.11Å; Y171-T213 HydrophobicContact CE2-CG2 4.3Å; Y171-T213 PolarHBondContact N-O 2.85Å; Y171-V215 HydrophobicContact CE2-CG2 3.8Å
172	E	95.2	Very high	91.6	Very high	70 Å²	70	45.9 Å²	45.9	33%	0.327	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-49.9	-176.2	179	165.7	-101.7	0	0	111.4	N66 R141 T156 F158 Y170	N66-E172 PolarHBondContact ND2-OE1 3.38Å; R141-E172 IonicContact NH2-OE2 3.06Å; T156-E172 HydrophobicContact CG2-CB 4.22Å; T156-E172 WeakPolarHBondContact CG2-OE2 3.25Å; T156-E172 PolarHBondContact O-N 3.42Å; F158-E172 HydrophobicContact CD2-CB 4.3Å; F158-E172 HydrophobicContact CE2-CB 3.97Å; F158-E172 HydrophobicContact CE2-CG 4.46Å; F158-E172 WeakPolarHBondContact CE2-OE2 3.43Å; Y170-E172 HydrophobicContact CD1-CB 4.01Å; Y170-E172 VanDerWaalsContact CE1-CA 3.46Å; Y170-E172 HydrophobicContact CE1-CB 3.58Å; Y170-E172 HydrophobicContact CE1-CG 4.11Å
173	D	92.8	Very high	91.2	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.9	176.4	-179.4	38.1	0	0	0	108.5	T154 A155 T156	T154-D173 WeakPolarHBondContact CB-OD2 3.29Å; T154-D173 PolarHBondContact OG1-OD2 3.38Å; A155-D173 CarbonylContact C-O 3.52Å; A155-D173 WeakPolarHBondContact CA-O 3.33Å; T156-D173 PolarHBondContact N-O 3.35Å
174	I	92.1	Very high	90.9	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	106.8	174.3	-56.5	-67.4	0	0	0	106.4	L121 A155 I157 Y171 T176 I178 S211	L121-I174 HydrophobicContact CD1-CD1 4.2Å; L121-I174 HydrophobicContact CD2-CD1 4.11Å; A155-I174 HydrophobicContact CB-CD1 3.99Å; I157-I174 HydrophobicContact CG1-CD1 4.47Å; Y171-I174 HydrophobicContact CD1-CD1 3.9Å; Y171-I174 HydrophobicContact CD1-CG1 4.25Å; Y171-I174 HydrophobicContact CG-CD1 4.46Å; Y171-I174 HydrophobicContact CG-CG1 4.33Å; I174-T176 PolarHBondContact O-N 3.05Å; I174-I178 HydrophobicContact CG2-CD1 4.13Å; I174-S211 PolarHBondContact N-OG 2.88Å
175	S	91.6	Very high	90.9	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.154	22%	0.221	C	C	.	.			trans	-56.2	131	175.2	-75.7	0	0	0	0	111.1	T154 E177 I178	T154-S175 PolarHBondContact N-OG 3.5Å; T154-S175 VanDerWaalsContact O-CB 3.32Å; T154-S175 WeakPolarHBondContact O-CB 3.14Å; T154-S175 PolarHBondContact O-N 3.36Å; T154-S175 PolarHBondContact O-OG 2.83Å; T154-S175 PolarHBondContact OG1-OG 2.73Å; T154-S175 VanDerWaalsContact OG1-OG 3.09Å; S175-E177 PolarHBondContact O-N 3.1Å; S175-E177 VanDerWaalsContact O-N 3.08Å; S175-I178 WeakPolarHBondContact O-CG1 3.02Å; S175-I178 PolarHBondContact O-N 3.47Å; S175-I178 VanDerWaalsContact O-N 3.16Å
176	T	88.7	Confident	91	Very high	140 Å²	140	41.5 Å²	41.5	86%	0.859	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.6	177.1	52.9	0	0	0	0	113.6	I174 I178	I174-T176 PolarHBondContact O-N 3.05Å; T176-I178 VanDerWaalsContact C-N 3.32Å
177	E	84.8	Confident	91	Very high	90 Å²	90	39.7 Å²	39.7	42%	0.421	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.8	178.7	-62.4	-66.5	-165.9	0	0	113.8	K151 V153 S175 N179	K151-E177 HydrophobicContact CB-CB 4.45Å; K151-E177 HydrophobicContact CD-CB 4.15Å; K151-E177 HydrophobicContact CD-CG 3.88Å; K151-E177 WeakPolarHBondContact CD-OE2 3.49Å; K151-E177 WeakPolarHBondContact CE-OE2 3.14Å; K151-E177 IonicContact NZ-OE1 3.98Å; K151-E177 PolarHBondContact NZ-OE1 3.26Å; K151-E177 IonicContact NZ-OE2 2.84Å; K151-E177 PolarHBondContact NZ-OE2 3.3Å; V153-E177 HydrophobicContact CG2-CB 4.32Å; S175-E177 PolarHBondContact O-N 3.1Å; S175-E177 VanDerWaalsContact O-N 3.08Å; E177-N179 PolarHBondContact O-N 3.12Å
178	I	84.4	Confident	90.9	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	22%	0.222	C	C	.	.	S	Bend	trans	-67.5	126.7	173.7	-60.1	177.9	0	0	0	108.7	L121 V153 A155 I174 S175 T176 P180 L183	L121-I178 VanDerWaalsContact O-CG2 3.28Å; L121-I178 WeakPolarHBondContact O-CG2 2.99Å; V153-I178 HydrophobicContact CB-CG1 4.49Å; V153-I178 HydrophobicContact CG1-CD1 3.67Å; V153-I178 HydrophobicContact CG1-CG1 3.37Å; V153-I178 HydrophobicContact CG2-CG1 4.33Å; A155-I178 HydrophobicContact CB-CD1 4.19Å; I174-I178 HydrophobicContact CG2-CD1 4.13Å; S175-I178 WeakPolarHBondContact O-CG1 3.02Å; S175-I178 PolarHBondContact O-N 3.47Å; S175-I178 VanDerWaalsContact O-N 3.16Å; T176-I178 VanDerWaalsContact C-N 3.32Å; I178-P180 VanDerWaalsContact O-CD 3.27Å; I178-P180 WeakPolarHBondContact O-CD 3.46Å; I178-L183 HydrophobicContact CG2-CD2 3.7Å; I178-L183 HydrophobicContact CG2-CG 4.17Å
179	N	84	Confident	90.7	Very high	65 Å²	65	42.5 Å²	42.5	35%	0.348	22%	0.222	S	C	.	.			trans	-62	121.4	174.6	-177.1	-23.6	0	0	0	109.7	E177 N181 R182	E177-N179 PolarHBondContact O-N 3.12Å; N179-N181 PolarHBondContact O-N 3.2Å; N179-N181 VanDerWaalsContact O-N 3.08Å; N179-N181 WeakPolarHBondContact OD1-CB 3.44Å; N179-N181 PolarHBondContact OD1-N 2.92Å; N179-R182 HydrophobicContact CB-CG 4.08Å; N179-R182 WeakPolarHBondContact O-CB 3.41Å; N179-R182 PolarHBondContact O-N 2.88Å
180	P	85.3	Confident	90.5	Very high	68 Å²	68	44.3 Å²	44.3	44%	0.442	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-54.7	-31.2	180	-27.6	36	0	0	0	113.9	I178 R182 L183 V206	I178-P180 VanDerWaalsContact O-CD 3.27Å; I178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-R182 PolarHBondContact O-N 2.94Å; P180-R182 VanDerWaalsContact O-N 3.13Å; P180-L183 WeakPolarHBondContact O-CB 3.47Å; P180-L183 PolarHBondContact O-N 3.46Å; P180-L183 VanDerWaalsContact O-N 3.15Å; P180-V206 HydrophobicContact CB-CG1 3.55Å; P180-V206 WeakPolarHBondContact O-CG1 3.27Å
181	N	85	Confident	90	Very high	144 Å²	144	44.9 Å²	44.9	77%	0.77	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-70.5	-6.5	178.9	-62.6	-6.4	0	0	0	113.6	N179	N179-N181 PolarHBondContact O-N 3.2Å; N179-N181 VanDerWaalsContact O-N 3.08Å; N179-N181 WeakPolarHBondContact OD1-CB 3.44Å; N179-N181 PolarHBondContact OD1-N 2.92Å
182	R	84.3	Confident	89.4	Confident	55 Å²	55	49.4 Å²	49.4	21%	0.208	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-99.4	-10.1	176.2	-60.7	-177.3	179.3	-177.7	0.9	112.8	L121 D148 N179 P180 I184	L121-R182 CarbonylContact C-O 3.5Å; L121-R182 CarbonylContact O-C 3.57Å; D148-R182 IonicContact OD1-CZ 2.73Å; D148-R182 IonicContact OD1-NH1 3.27Å; D148-R182 PolarHBondContact OD1-NH1 3.08Å; D148-R182 IonicContact OD1-NH2 3.7Å; D148-R182 IonicContact OD2-CZ 2.82Å; D148-R182 IonicContact OD2-NH1 3.74Å; D148-R182 PolarHBondContact OD2-NH1 2.82Å; N179-R182 HydrophobicContact CB-CG 4.08Å; N179-R182 WeakPolarHBondContact O-CB 3.41Å; N179-R182 PolarHBondContact O-N 2.88Å; P180-R182 PolarHBondContact O-N 2.94Å; P180-R182 VanDerWaalsContact O-N 3.13Å; R182-I184 PolarHBondContact O-N 3.27Å
183	L	87.7	Confident	88.7	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.073	26%	0.26	C	S	.	.			trans	-81	109.7	176.4	-57.8	176	0	0	0	108.8	Q120 L121 I178 P180 L185 V206 I209	Q120-L183 CarbonylContact O-C 3.49Å; Q120-L183 WeakPolarHBondContact O-CA 3.48Å; L121-L183 HydrophobicContact CB-CD2 4.15Å; L121-L183 HydrophobicContact CD2-CD2 3.44Å; L121-L183 VanDerWaalsContact CD2-CD2 3.44Å; L121-L183 HydrophobicContact CG-CD2 4.42Å; L121-L183 WeakPolarHBondContact O-CD2 3.35Å; I178-L183 HydrophobicContact CG2-CD2 3.7Å; I178-L183 HydrophobicContact CG2-CG 4.17Å; P180-L183 WeakPolarHBondContact O-CB 3.47Å; P180-L183 PolarHBondContact O-N 3.46Å; P180-L183 VanDerWaalsContact O-N 3.15Å; L183-L185 HydrophobicContact CB-CD1 4.11Å; L183-V206 HydrophobicContact CB-CG1 4.35Å; L183-V206 HydrophobicContact CD1-CG1 4.07Å; L183-I209 HydrophobicContact CB-CD1 4.17Å; L183-I209 HydrophobicContact CD1-CB 4.12Å; L183-I209 HydrophobicContact CD1-CG2 4.03Å; L183-I209 HydrophobicContact CD2-CG2 4.39Å
184	I	90.2	Very high	87.9	Confident	65 Å²	65	54.5 Å²	54.5	33%	0.333	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.3	173	-53.9	179.4	0	0	0	107.9	Q120 R182 F203	Q120-I184 HydrophobicContact CB-CB 4.29Å; Q120-I184 PolarHBondContact N-O 2.96Å; Q120-I184 PolarHBondContact O-N 3.27Å; R182-I184 PolarHBondContact O-N 3.27Å; I184-F203 HydrophobicContact CG2-CD1 4.32Å; I184-F203 HydrophobicContact CG2-CE1 3.92Å
185	L	91.6	Very high	86.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.4	-176.9	-68.9	84.7	0	0	0	109.6	H118 N119 L121 I157 Y171 L183 F203 V204 I209	H118-L185 VanDerWaalsContact O-CA 3.28Å; H118-L185 WeakPolarHBondContact O-CA 3.44Å; N119-L185 HydrophobicContact CB-CD2 4.16Å; N119-L185 HydrophobicContact CB-CG 4.43Å; N119-L185 WeakPolarHBondContact OD1-CD2 2.94Å; L121-L185 HydrophobicContact CD2-CD1 4.29Å; I157-L185 HydrophobicContact CD1-CD2 4.38Å; Y171-L185 HydrophobicContact CD1-CD2 4.47Å; Y171-L185 HydrophobicContact CE1-CD2 3.21Å; Y171-L185 VanDerWaalsContact CZ-CD2 3.45Å; Y171-L185 WeakPolarHBondContact OH-CD2 3.39Å; L183-L185 HydrophobicContact CB-CD1 4.11Å; L185-F203 CarbonylContact O-C 3.53Å; L185-F203 WeakPolarHBondContact O-CA 3.42Å; L185-V204 HydrophobicContact CB-CB 4.15Å; L185-V204 HydrophobicContact CB-CG2 4.2Å; L185-V204 PolarHBondContact O-N 2.89Å; L185-I209 HydrophobicContact CB-CD1 4.15Å; L185-I209 HydrophobicContact CD1-CD1 3.48Å; L185-I209 VanDerWaalsContact CD1-CD1 3.48Å; L185-I209 HydrophobicContact CD1-CG2 4.47Å; L185-I209 HydrophobicContact CD2-CD1 4.42Å; L185-I209 HydrophobicContact CG-CD1 4.17Å
186	S	95	Very high	86	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.1	-172.6	55.8	0	0	0	0	113.8	H118 T202	H118-S186 PolarHBondContact N-O 2.81Å; H118-S186 PolarHBondContact O-N 2.91Å; S186-T202 WeakPolarHBondContact CA-O 3.44Å
187	L	95.5	Very high	85.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.5	152.8	-67.1	-176.4	0	0	0	108.8	Y90 I117 I167 N201 T202 Y217	Y90-L187 HydrophobicContact CE2-CD2 4.24Å; I117-L187 HydrophobicContact CB-CD2 4.34Å; I117-L187 HydrophobicContact CD1-CD2 4.36Å; I117-L187 HydrophobicContact CG1-CD2 3.72Å; I117-L187 HydrophobicContact CG2-CD2 4.19Å; I167-L187 HydrophobicContact CD1-CD1 4.32Å; I167-L187 HydrophobicContact CD1-CD2 3.95Å; L187-N201 CarbonylContact O-C 3.46Å; L187-N201 WeakPolarHBondContact O-CA 3.42Å; L187-T202 PolarHBondContact N-O 3.06Å; L187-T202 PolarHBondContact O-N 2.8Å; L187-Y217 HydrophobicContact CD1-CD1 3.39Å; L187-Y217 HydrophobicContact CD1-CD2 3.5Å; L187-Y217 HydrophobicContact CD1-CE1 3.71Å; L187-Y217 HydrophobicContact CD1-CE2 3.81Å; L187-Y217 HydrophobicContact CD1-CG 3.26Å; L187-Y217 HydrophobicContact CD2-CD2 4.36Å; L187-Y217 HydrophobicContact CD2-CE2 4.34Å; L187-Y217 HydrophobicContact CG-CD1 4.25Å; L187-Y217 HydrophobicContact CG-CD2 3.92Å; L187-Y217 HydrophobicContact CG-CE1 4.09Å; L187-Y217 HydrophobicContact CG-CE2 3.74Å; L187-Y217 HydrophobicContact CG-CG 4.14Å
188	R	94.9	Very high	85.8	Confident	60 Å²	60	57 Å²	57	23%	0.226	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.9	-176.2	179.6	177.3	-170.5	-146	0.5	111.1	Y90 G115 Q116 E199 S200 N201	Y90-R188 WeakPolarHBondContact CE1-O 3.17Å; Y90-R188 PolarHBondContact OH-N 2.72Å; Y90-R188 PolarHBondContact OH-O 2.96Å; G115-R188 CarbonylContact C-O 3.5Å; G115-R188 WeakPolarHBondContact CA-O 3.19Å; Q116-R188 HydrophobicContact CB-CB 4.2Å; Q116-R188 PolarHBondContact N-O 3.16Å; Q116-R188 PolarHBondContact O-N 2.75Å; R188-E199 IonicContact CZ-OE1 3.8Å; R188-E199 VanDerWaalsContact CZ-OE1 3.27Å; R188-E199 IonicContact CZ-OE2 3.44Å; R188-E199 VanDerWaalsContact NE-CD 3.29Å; R188-E199 IonicContact NE-OE1 3.91Å; R188-E199 PolarHBondContact NE-OE1 3.28Å; R188-E199 IonicContact NE-OE2 3.58Å; R188-E199 IonicContact NH2-OE1 3.44Å; R188-E199 PolarHBondContact NH2-OE1 2.95Å; R188-E199 IonicContact NH2-OE2 3.56Å; R188-E199 PolarHBondContact NH2-OE2 3.13Å; R188-S200 WeakPolarHBondContact CA-O 3.28Å; R188-N201 VanDerWaalsContact CB-OD1 3.29Å; R188-N201 WeakPolarHBondContact CB-OD1 3.46Å; R188-N201 VanDerWaalsContact CD-OD1 3.29Å; R188-N201 WeakPolarHBondContact CD-OD1 3.25Å; R188-N201 WeakPolarHBondContact CG-OD1 3.41Å
189	V	93	Very high	86.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.9	172.2	62.6	0	0	0	0	110.6	Y90 Y91 F113 F114 F191 E199 S200	Y90-V189 HydrophobicContact CE1-CB 4.37Å; Y91-V189 HydrophobicContact CD1-CG1 3.93Å; Y91-V189 HydrophobicContact CD2-CB 3.74Å; Y91-V189 HydrophobicContact CD2-CG1 3.99Å; Y91-V189 HydrophobicContact CD2-CG2 4.03Å; Y91-V189 HydrophobicContact CE1-CB 4.49Å; Y91-V189 HydrophobicContact CE1-CG1 3.69Å; Y91-V189 HydrophobicContact CE2-CB 3.71Å; Y91-V189 HydrophobicContact CE2-CG1 3.75Å; Y91-V189 HydrophobicContact CE2-CG2 4.5Å; Y91-V189 HydrophobicContact CG-CB 4.13Å; Y91-V189 HydrophobicContact CG-CG1 4.06Å; Y91-V189 HydrophobicContact CG-CG2 4.11Å; F113-V189 HydrophobicContact CB-CG2 4.3Å; F113-V189 HydrophobicContact CD1-CG2 4.34Å; F113-V189 HydrophobicContact CD2-CG2 3.97Å; F113-V189 HydrophobicContact CE2-CG2 4.43Å; F113-V189 HydrophobicContact CG-CG2 3.98Å; F114-V189 WeakPolarHBondContact O-CA 3.18Å; V189-F191 HydrophobicContact CB-CE2 4.25Å; V189-F191 HydrophobicContact CG1-CD2 4.3Å; V189-F191 HydrophobicContact CG1-CE2 3.62Å; V189-F191 HydrophobicContact CG1-CZ 4.34Å; V189-F191 HydrophobicContact CG2-CD2 4.05Å; V189-F191 HydrophobicContact CG2-CE1 4.33Å; V189-F191 HydrophobicContact CG2-CE2 3.58Å; V189-F191 HydrophobicContact CG2-CZ 3.74Å; V189-E199 CarbonylContact O-C 3.44Å; V189-E199 VanDerWaalsContact O-CA 3.32Å; V189-E199 WeakPolarHBondContact O-CA 3.33Å; V189-S200 PolarHBondContact N-O 3.29Å; V189-S200 PolarHBondContact O-N 2.71Å
190	I	90.8	Very high	86.4	Confident	38 Å²	38	58.2 Å²	58.2	20%	0.195	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	104.2	176.4	-51.4	173.9	0	0	0	108.6	F113 F114 L198 E199	F113-I190 WeakPolarHBondContact CA-O 3.5Å; F113-I190 WeakPolarHBondContact CB-O 3.3Å; F114-I190 HydrophobicContact CB-CB 4.4Å; F114-I190 HydrophobicContact CD1-CD1 3.91Å; F114-I190 HydrophobicContact CD1-CG1 4.43Å; F114-I190 PolarHBondContact N-O 2.8Å; F114-I190 VanDerWaalsContact N-O 3.08Å; F114-I190 PolarHBondContact O-N 3.38Å; I190-L198 CarbonylContact C-O 3.59Å; I190-L198 WeakPolarHBondContact CA-O 3.29Å; I190-E199 HydrophobicContact CG1-CB 4.32Å; I190-E199 HydrophobicContact CG1-CG 4.08Å
191	F	87.3	Confident	86.9	Confident	30 Å²	30	57.3 Å²	57.3	13%	0.132	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.4	175	-66.7	-84.5	0	0	0	110.6	V29 L36 Y54 Y91 F113 V189 C193 G197 L198	V29-F191 HydrophobicContact CB-CD2 4.45Å; V29-F191 HydrophobicContact CG1-CD2 3.99Å; V29-F191 HydrophobicContact CG1-CE2 4.48Å; V29-F191 HydrophobicContact CG1-CG 4.35Å; V29-F191 HydrophobicContact CG2-CE2 4.32Å; V29-F191 HydrophobicContact CG2-CZ 4.5Å; L36-F191 HydrophobicContact CD1-CD2 4.26Å; L36-F191 HydrophobicContact CD2-CD2 4.03Å; L36-F191 HydrophobicContact CD2-CE2 3.66Å; Y54-F191 HydrophobicContact CE1-CE2 4.24Å; Y54-F191 HydrophobicContact CE1-CZ 4.2Å; Y91-F191 HydrophobicContact CD1-CZ 4.45Å; F113-F191 HydrophobicContact CB-CD1 4.23Å; F113-F191 HydrophobicContact CD1-CD1 4.28Å; F113-F191 AromaticContact CD1-CE1 3.91Å; F113-F191 HydrophobicContact CD1-CE1 3.91Å; V189-F191 HydrophobicContact CB-CE2 4.25Å; V189-F191 HydrophobicContact CG1-CD2 4.3Å; V189-F191 HydrophobicContact CG1-CE2 3.62Å; V189-F191 HydrophobicContact CG1-CZ 4.34Å; V189-F191 HydrophobicContact CG2-CD2 4.05Å; V189-F191 HydrophobicContact CG2-CE1 4.33Å; V189-F191 HydrophobicContact CG2-CE2 3.58Å; V189-F191 HydrophobicContact CG2-CZ 3.74Å; F191-C193 PolarHBondContact O-N 2.8Å; F191-G197 CarbonylContact O-C 3.54Å; F191-G197 WeakPolarHBondContact O-CA 3.23Å; F191-L198 HydrophobicContact CB-CB 4.4Å; F191-L198 PolarHBondContact N-O 2.94Å; F191-L198 PolarHBondContact O-N 2.87Å
192	S	83.3	Confident	87.3	Confident	96 Å²	96	50.6 Å²	50.6	67%	0.671	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.7	172.1	-63.7	0	0	0	0	109.6
193	C	81	Confident	87.9	Confident	28 Å²	28	53.1 Å²	53.1	19%	0.189	29%	0.29	C	S	.	.			trans	-94.9	167.3	170.6	-56.9	0	0	0	0	110.3	C30 F191 T195 D196 L198	C30-C193 WeakPolarHBondContact CA-SG 3.38Å; C30-C193 HydrophobicContact CB-CB 3.74Å; C30-C193 WeakPolarHBondContact CB-SG 3.26Å; C30-C193 VanDerWaalsContact SG-CA 3.55Å; C30-C193 WeakPolarHBondContact SG-CB 3.21Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.8Å; F191-C193 PolarHBondContact O-N 2.8Å; C193-T195 PolarHBondContact O-N 3.39Å; C193-T195 VanDerWaalsContact O-N 3.13Å; C193-D196 WeakPolarHBondContact CA-O 3.47Å; C193-D196 VanDerWaalsContact CB-O 3.25Å; C193-D196 WeakPolarHBondContact CB-O 3.33Å; C193-D196 PolarHBondContact N-O 3.22Å; C193-D196 VanDerWaalsContact N-O 3.11Å; C193-L198 VanDerWaalsContact SG-CD1 3.53Å
194	Q	75.2	Confident	88.2	Confident	206 Å²	206	52.7 Å²	52.7	96%	0.963	29%	0.288	S	S	*	.	S	Bend	trans	-56.4	-33.5	-171.1	-68.1	-178.1	6.3	0	0	114.6
195	T	69.1	Low	88.5	Confident	122 Å²	122	52 Å²	52	75%	0.748	29%	0.288	S	S	*	.	S	Bend	trans	-114.3	-27.4	-178.6	56.5	0	0	0	0	113.9	C193	C193-T195 PolarHBondContact O-N 3.39Å; C193-T195 VanDerWaalsContact O-N 3.13Å
196	D	75.5	Confident	88.5	Confident	106 Å²	106	54.7 Å²	54.7	57%	0.567	30%	0.304	S	S	*	.			trans	-144.7	151.5	-169.5	-61	-69.8	0	0	0	112.2	C193	C193-D196 WeakPolarHBondContact CA-O 3.47Å; C193-D196 VanDerWaalsContact CB-O 3.25Å; C193-D196 WeakPolarHBondContact CB-O 3.33Å; C193-D196 PolarHBondContact N-O 3.22Å; C193-D196 VanDerWaalsContact N-O 3.11Å
197	G	81.2	Confident	88.4	Confident	54 Å²	54	62 Å²	62	56%	0.557	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.4	167.1	0	0	0	0	0	110.5	F191	F191-G197 CarbonylContact O-C 3.54Å; F191-G197 WeakPolarHBondContact O-CA 3.23Å
198	L	87.3	Confident	88.4	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.188	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114	173.9	-68.9	179.4	0	0	0	110.2	V29 P33 L36 I190 F191 C193	V29-L198 HydrophobicContact CG1-CB 4.23Å; V29-L198 HydrophobicContact CG1-CD1 3.73Å; V29-L198 VanDerWaalsContact O-CD1 3.31Å; V29-L198 WeakPolarHBondContact O-CD1 3.39Å; P33-L198 HydrophobicContact CB-CD1 3.84Å; P33-L198 HydrophobicContact CB-CD2 3.97Å; P33-L198 HydrophobicContact CG-CD1 3.78Å; P33-L198 HydrophobicContact CG-CD2 4.32Å; L36-L198 HydrophobicContact CD1-CB 3.69Å; I190-L198 CarbonylContact C-O 3.59Å; I190-L198 WeakPolarHBondContact CA-O 3.29Å; F191-L198 HydrophobicContact CB-CB 4.4Å; F191-L198 PolarHBondContact N-O 2.94Å; F191-L198 PolarHBondContact O-N 2.87Å; C193-L198 VanDerWaalsContact SG-CD1 3.53Å
199	E	90.1	Very high	88.3	Confident	88 Å²	88	60.1 Å²	60.1	41%	0.411	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.4	-176.4	-178	173.7	161.8	0	0	111.9	R188 V189 I190 N201	R188-E199 IonicContact CZ-OE1 3.8Å; R188-E199 VanDerWaalsContact CZ-OE1 3.27Å; R188-E199 IonicContact CZ-OE2 3.44Å; R188-E199 VanDerWaalsContact NE-CD 3.29Å; R188-E199 IonicContact NE-OE1 3.91Å; R188-E199 PolarHBondContact NE-OE1 3.28Å; R188-E199 IonicContact NE-OE2 3.58Å; R188-E199 IonicContact NH2-OE1 3.44Å; R188-E199 PolarHBondContact NH2-OE1 2.95Å; R188-E199 IonicContact NH2-OE2 3.56Å; R188-E199 PolarHBondContact NH2-OE2 3.13Å; V189-E199 CarbonylContact O-C 3.44Å; V189-E199 VanDerWaalsContact O-CA 3.32Å; V189-E199 WeakPolarHBondContact O-CA 3.33Å; I190-E199 HydrophobicContact CG1-CB 4.32Å; I190-E199 HydrophobicContact CG1-CG 4.08Å; E199-N201 PolarHBondContact OE1-ND2 3.25Å
200	S	91.9	Very high	88.4	Confident	9 Å²	9	64.5 Å²	64.5	6%	0.063	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.8	167.7	-173	0	0	0	0	109.9	L36 R188 V189	L36-S200 PolarHBondContact O-OG 2.93Å; R188-S200 WeakPolarHBondContact CA-O 3.28Å; V189-S200 PolarHBondContact N-O 3.29Å; V189-S200 PolarHBondContact O-N 2.71Å
201	N	93.9	Very high	88.6	Confident	49 Å²	49	65.1 Å²	65.1	26%	0.262	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.4	174	-67.3	-81.8	0	0	0	109	L187 R188 E199 F203	L187-N201 CarbonylContact O-C 3.46Å; L187-N201 WeakPolarHBondContact O-CA 3.42Å; R188-N201 VanDerWaalsContact CB-OD1 3.29Å; R188-N201 WeakPolarHBondContact CB-OD1 3.46Å; R188-N201 VanDerWaalsContact CD-OD1 3.29Å; R188-N201 WeakPolarHBondContact CD-OD1 3.25Å; R188-N201 WeakPolarHBondContact CG-OD1 3.41Å; E199-N201 PolarHBondContact OE1-ND2 3.25Å; N201-F203 HydrophobicContact CB-CD2 3.98Å; N201-F203 HydrophobicContact CB-CE1 4.26Å; N201-F203 HydrophobicContact CB-CE2 3.33Å; N201-F203 HydrophobicContact CB-CZ 3.49Å; N201-F203 VanDerWaalsContact CB-CZ 3.49Å
202	T	95.2	Very high	89.1	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.8	169.5	-63.1	0	0	0	0	108.5	H53 M58 S186 L187 Y217	H53-T202 HydrophobicContact CB-CG2 4.23Å; H53-T202 WeakPolarHBondContact ND1-CG2 3.28Å; M58-T202 HydrophobicContact SD-CG2 4.27Å; S186-T202 WeakPolarHBondContact CA-O 3.44Å; L187-T202 PolarHBondContact N-O 3.06Å; L187-T202 PolarHBondContact O-N 2.8Å; T202-Y217 HydrophobicContact CG2-CE1 3.71Å
203	F	95.5	Very high	89.7	Confident	107 Å²	107	59.7 Å²	59.7	47%	0.469	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.5	-177.4	-66.4	-79.2	0	0	0	112.8	I184 L185 N201	I184-F203 HydrophobicContact CG2-CD1 4.32Å; I184-F203 HydrophobicContact CG2-CE1 3.92Å; L185-F203 CarbonylContact O-C 3.53Å; L185-F203 WeakPolarHBondContact O-CA 3.42Å; N201-F203 HydrophobicContact CB-CD2 3.98Å; N201-F203 HydrophobicContact CB-CE1 4.26Å; N201-F203 HydrophobicContact CB-CE2 3.33Å; N201-F203 HydrophobicContact CB-CZ 3.49Å; N201-F203 VanDerWaalsContact CB-CZ 3.49Å
204	V	95.6	Very high	90.5	Very high	5 Å²	5	59 Å²	59	3%	0.03	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-80	121.4	163	-177.2	0	0	0	0	108	I60 L185 V206 I209 V215 Y217	I60-V204 HydrophobicContact CD1-CG1 3.94Å; L185-V204 HydrophobicContact CB-CB 4.15Å; L185-V204 HydrophobicContact CB-CG2 4.2Å; L185-V204 PolarHBondContact O-N 2.89Å; V204-V206 PolarHBondContact O-N 2.65Å; V204-I209 HydrophobicContact CB-CD1 4.26Å; V204-I209 HydrophobicContact CB-CG1 4.42Å; V204-I209 HydrophobicContact CG1-CD1 4.11Å; V204-I209 HydrophobicContact CG1-CG1 3.74Å; V204-V215 HydrophobicContact CG1-CG2 3.92Å; V204-V215 HydrophobicContact CG2-CG1 4.01Å; V204-V215 HydrophobicContact CG2-CG2 4.09Å; V204-Y217 VanDerWaalsContact CG2-OH 3.26Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.48Å
205	P	94.5	Very high	91.6	Very high	51 Å²	51	49.1 Å²	49.1	33%	0.331	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66.4	129.8	-179.5	-12.4	23.9	0	0	0	110.6	L49 K207 W208	L49-P205 HydrophobicContact CD2-CG 4.24Å; P205-K207 PolarHBondContact O-N 3.01Å; P205-W208 WeakPolarHBondContact O-CB 3.32Å; P205-W208 PolarHBondContact O-N 3.21Å
206	V	92.7	Very high	92.9	Very high	58 Å²	58	44.3 Å²	44.3	35%	0.352	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-49.9	-36.5	-170.2	178.4	0	0	0	0	114	P180 L183 V204 W208 I209	P180-V206 HydrophobicContact CB-CG1 3.55Å; P180-V206 WeakPolarHBondContact O-CG1 3.27Å; L183-V206 HydrophobicContact CB-CG1 4.35Å; L183-V206 HydrophobicContact CD1-CG1 4.07Å; V204-V206 PolarHBondContact O-N 2.65Å; V206-W208 PolarHBondContact O-N 3.35Å; V206-I209 PolarHBondContact O-N 2.71Å
207	K	92.8	Very high	93.8	Very high	156 Å²	156	39.2 Å²	39.2	68%	0.678	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-59.5	-20.3	179	70.6	174.6	-174.6	172.6	0	114.5	P205	P205-K207 PolarHBondContact O-N 3.01Å
208	W	94.9	Very high	94.4	Very high	9 Å²	9	38.1 Å²	38.1	3%	0.034	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-89.8	-14.2	178.2	-65.7	96.7	0	0	0	112.8	V44 N45 F48 L49 I60 L62 P205 V206 K210 T213	V44-W208 HydrophobicContact CG2-CZ2 3.98Å; N45-W208 WeakPolarHBondContact O-CH2 3.1Å; F48-W208 WeakPolarHBondContact O-CH2 3.2Å; L49-W208 HydrophobicContact CB-CH2 4.07Å; L49-W208 HydrophobicContact CB-CZ2 3.72Å; I60-W208 HydrophobicContact CB-CD2 4.38Å; I60-W208 HydrophobicContact CB-CE3 4.14Å; I60-W208 HydrophobicContact CD1-CB 4.12Å; I60-W208 HydrophobicContact CD1-CD2 4.42Å; I60-W208 HydrophobicContact CD1-CG 3.99Å; I60-W208 HydrophobicContact CG2-CB 3.98Å; I60-W208 HydrophobicContact CG2-CD2 3.98Å; I60-W208 HydrophobicContact CG2-CE3 3.59Å; I60-W208 HydrophobicContact CG2-CG 4.14Å; I60-W208 HydrophobicContact CG2-CZ3 4.41Å; L62-W208 HydrophobicContact CD1-CE3 4.36Å; L62-W208 HydrophobicContact CD1-CZ3 4.16Å; L62-W208 HydrophobicContact CD2-CE3 3.67Å; L62-W208 HydrophobicContact CD2-CZ3 4.12Å; L62-W208 HydrophobicContact CG-CE3 3.89Å; L62-W208 HydrophobicContact CG-CZ3 3.79Å; P205-W208 WeakPolarHBondContact O-CB 3.32Å; P205-W208 PolarHBondContact O-N 3.21Å; V206-W208 PolarHBondContact O-N 3.35Å; W208-K210 PolarHBondContact O-N 3.16Å; W208-T213 WeakPolarHBondContact O-CB 3.36Å; W208-T213 VanDerWaalsContact O-CG2 3.25Å; W208-T213 WeakPolarHBondContact O-CG2 3.4Å; W208-T213 PolarHBondContact O-OG1 3.04Å
209	I	93.6	Very high	94.6	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.056	19%	0.192	C	C	.	.			trans	-84.7	91.1	-172.4	-53.3	178.3	0	0	0	109.1	Y171 L183 L185 V204 V206	Y171-I209 HydrophobicContact CD1-CG2 4.11Å; Y171-I209 HydrophobicContact CE1-CG2 3.95Å; L183-I209 HydrophobicContact CB-CD1 4.17Å; L183-I209 HydrophobicContact CD1-CB 4.12Å; L183-I209 HydrophobicContact CD1-CG2 4.03Å; L183-I209 HydrophobicContact CD2-CG2 4.39Å; L185-I209 HydrophobicContact CB-CD1 4.15Å; L185-I209 HydrophobicContact CD1-CD1 3.48Å; L185-I209 VanDerWaalsContact CD1-CD1 3.48Å; L185-I209 HydrophobicContact CD1-CG2 4.47Å; L185-I209 HydrophobicContact CD2-CD1 4.42Å; L185-I209 HydrophobicContact CG-CD1 4.17Å; V204-I209 HydrophobicContact CB-CD1 4.26Å; V204-I209 HydrophobicContact CB-CG1 4.42Å; V204-I209 HydrophobicContact CG1-CD1 4.11Å; V204-I209 HydrophobicContact CG1-CG1 3.74Å; V206-I209 PolarHBondContact O-N 2.71Å
210	K	94.2	Very high	94.2	Very high	93 Å²	93	34.3 Å²	34.3	40%	0.404	18%	0.177	S	C	.	.	S	Bend	trans	-152.9	162.1	178.9	60.9	-173.2	177.1	-173.8	0	110.7	L62 Y171 W208 T213	L62-K210 VanDerWaalsContact CD2-CE 3.44Å; L62-K210 HydrophobicContact CD2-CG 4.42Å; Y171-K210 WeakPolarHBondContact CB-O 3.34Å; W208-K210 PolarHBondContact O-N 3.16Å; K210-T213 WeakPolarHBondContact CG-OG1 3.25Å; K210-T213 WeakPolarHBondContact O-CB 3.5Å; K210-T213 PolarHBondContact O-N 2.01Å; K210-T213 VanDerWaalsContact O-N 3.15Å; K210-T213 PolarHBondContact O-OG1 2.86Å
211	S	95.8	Very high	93.4	Very high	51 Å²	51	35.6 Å²	35.6	36%	0.357	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	139.2	179.2	-49.2	0	0	0	0	112.4	Y171 I174 T213	Y171-S211 CarbonylContact O-C 3.49Å; Y171-S211 WeakPolarHBondContact O-CA 3.37Å; I174-S211 PolarHBondContact N-OG 2.88Å; S211-T213 VanDerWaalsContact C-N 3.31Å
212	G	96.7	Very high	92.3	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	13.6	-177.3	0	0	0	0	0	114.5	L62 N63 Q64 Y171	L62-G212 CarbonylContact C-O 3.56Å; N63-G212 WeakPolarHBondContact CA-O 3.33Å; N63-G212 PolarHBondContact N-O 3.49Å; Q64-G212 PolarHBondContact N-O 3.15Å; Y171-G212 PolarHBondContact O-N 2.03Å
213	T	97.4	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.5	176.4	-56.4	0	0	0	0	110.8	I60 T61 L62 Y170 Y171 W208 K210 S211 V215	I60-T213 HydrophobicContact CG2-CG2 3.51Å; T61-T213 WeakPolarHBondContact O-CA 3.48Å; L62-T213 HydrophobicContact CD2-CG2 3.93Å; L62-T213 WeakPolarHBondContact CD2-OG1 3.49Å; Y170-T213 WeakPolarHBondContact CA-O 3.38Å; Y170-T213 WeakPolarHBondContact CD2-O 3.35Å; Y171-T213 HydrophobicContact CD2-CG2 4.01Å; Y171-T213 WeakPolarHBondContact CD2-O 3.11Å; Y171-T213 HydrophobicContact CE2-CG2 4.3Å; Y171-T213 PolarHBondContact N-O 2.85Å; W208-T213 WeakPolarHBondContact O-CB 3.36Å; W208-T213 VanDerWaalsContact O-CG2 3.25Å; W208-T213 WeakPolarHBondContact O-CG2 3.4Å; W208-T213 PolarHBondContact O-OG1 3.04Å; K210-T213 WeakPolarHBondContact CG-OG1 3.25Å; K210-T213 WeakPolarHBondContact O-CB 3.5Å; K210-T213 PolarHBondContact O-N 2.01Å; K210-T213 VanDerWaalsContact O-N 3.15Å; K210-T213 PolarHBondContact O-OG1 2.86Å; S211-T213 VanDerWaalsContact C-N 3.31Å; T213-V215 HydrophobicContact CG2-CG2 4.41Å
214	L	97.7	Very high	90.8	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.8	172.7	177.7	64	0	0	0	109.3	I60 T61 Q64 P67 Y170 E216	I60-L214 CarbonylContact C-O 3.54Å; I60-L214 WeakPolarHBondContact CA-O 3.42Å; T61-L214 PolarHBondContact N-O 2.96Å; T61-L214 PolarHBondContact O-N 2.8Å; T61-L214 PolarHBondContact OG1-O 2.79Å; Q64-L214 HydrophobicContact CB-CB 3.95Å; Q64-L214 HydrophobicContact CB-CD2 4.49Å; Q64-L214 HydrophobicContact CG-CB 3.88Å; Q64-L214 HydrophobicContact CG-CD2 4.36Å; P67-L214 HydrophobicContact CG-CD1 3.91Å; Y170-L214 HydrophobicContact CD2-CB 4.27Å; Y170-L214 HydrophobicContact CD2-CD1 4.43Å; L214-E216 HydrophobicContact CD1-CG 4.22Å; L214-E216 HydrophobicContact CD2-CG 4.02Å; L214-E216 HydrophobicContact CG-CG 3.77Å
215	V	97.6	Very high	90.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.5	171.4	180	0	0	0	0	107.6	M58 R59 I60 S168 I169 Y171 V204 T213 Y217	M58-V215 HydrophobicContact CG-CG1 4.13Å; M58-V215 HydrophobicContact SD-CG1 4.3Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 WeakPolarHBondContact O-CA 3.36Å; I60-V215 HydrophobicContact CD1-CG2 4.28Å; I60-V215 HydrophobicContact CG1-CG1 4.34Å; I60-V215 HydrophobicContact CG1-CG2 4.09Å; I60-V215 HydrophobicContact CG2-CG2 4.05Å; S168-V215 CarbonylContact C-O 3.54Å; S168-V215 VanDerWaalsContact CA-O 3.24Å; S168-V215 WeakPolarHBondContact CA-O 3.48Å; I169-V215 HydrophobicContact CB-CB 4.31Å; I169-V215 PolarHBondContact N-O 2.9Å; I169-V215 PolarHBondContact O-N 3.45Å; Y171-V215 HydrophobicContact CE2-CG2 3.8Å; V204-V215 HydrophobicContact CG1-CG2 3.92Å; V204-V215 HydrophobicContact CG2-CG1 4.01Å; V204-V215 HydrophobicContact CG2-CG2 4.09Å; T213-V215 HydrophobicContact CG2-CG2 4.41Å; V215-Y217 HydrophobicContact CG1-CD2 4.19Å; V215-Y217 HydrophobicContact CG1-CE1 4.43Å; V215-Y217 HydrophobicContact CG1-CE2 3.53Å
216	E	96.3	Very high	89.4	Confident	20 Å²	20	34.6 Å²	34.6	9%	0.093	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126	-179.3	-52.9	-177.2	104.7	0	0	110	M58 R59 K166 I167 L214	M58-E216 CarbonylContact C-O 3.57Å; M58-E216 WeakPolarHBondContact CA-O 3.31Å; R59-E216 HydrophobicContact CB-CB 4.4Å; R59-E216 PolarHBondContact N-O 2.9Å; R59-E216 PolarHBondContact O-N 2.9Å; K166-E216 WeakPolarHBondContact CE-OE1 3.43Å; K166-E216 IonicContact NZ-OE1 2.81Å; K166-E216 PolarHBondContact NZ-OE1 2.89Å; I167-E216 CarbonylContact O-C 3.56Å; I167-E216 WeakPolarHBondContact O-CA 3.28Å; L214-E216 HydrophobicContact CD1-CG 4.22Å; L214-E216 HydrophobicContact CD2-CG 4.02Å; L214-E216 HydrophobicContact CG-CG 3.77Å
217	Y	95.6	Very high	89.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.5	172.2	-57.7	-83.2	0	0	0	109.6	T57 M58 K166 I167 I169 L187 T202 V204 V215	T57-Y217 VanDerWaalsContact O-CA 3.23Å; T57-Y217 WeakPolarHBondContact O-CA 3.49Å; M58-Y217 HydrophobicContact CB-CD1 3.83Å; M58-Y217 HydrophobicContact CB-CE1 3.75Å; M58-Y217 HydrophobicContact CG-CD1 3.94Å; M58-Y217 HydrophobicContact CG-CE1 3.5Å; M58-Y217 HydrophobicContact SD-CE1 3.52Å; M58-Y217 VanDerWaalsContact SD-CE1 3.52Å; K166-Y217 CarbonylContact C-O 3.54Å; K166-Y217 VanDerWaalsContact CA-O 3.29Å; K166-Y217 WeakPolarHBondContact CA-O 3.2Å; I167-Y217 HydrophobicContact CB-CD2 4.4Å; I167-Y217 HydrophobicContact CG2-CD2 4.48Å; I167-Y217 PolarHBondContact N-O 3.43Å; I167-Y217 PolarHBondContact O-N 3.34Å; I169-Y217 HydrophobicContact CD1-CE2 4.08Å; L187-Y217 HydrophobicContact CD1-CD1 3.39Å; L187-Y217 HydrophobicContact CD1-CD2 3.5Å; L187-Y217 HydrophobicContact CD1-CE1 3.71Å; L187-Y217 HydrophobicContact CD1-CE2 3.81Å; L187-Y217 HydrophobicContact CD1-CG 3.26Å; L187-Y217 HydrophobicContact CD2-CD2 4.36Å; L187-Y217 HydrophobicContact CD2-CE2 4.34Å; L187-Y217 HydrophobicContact CG-CD1 4.25Å; L187-Y217 HydrophobicContact CG-CD2 3.92Å; L187-Y217 HydrophobicContact CG-CE1 4.09Å; L187-Y217 HydrophobicContact CG-CE2 3.74Å; L187-Y217 HydrophobicContact CG-CG 4.14Å; T202-Y217 HydrophobicContact CG2-CE1 3.71Å; V204-Y217 VanDerWaalsContact CG2-OH 3.26Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.48Å; V215-Y217 HydrophobicContact CG1-CD2 4.19Å; V215-Y217 HydrophobicContact CG1-CE1 4.43Å; V215-Y217 HydrophobicContact CG1-CE2 3.53Å
218	E	92.8	Very high	88.7	Confident	30 Å²	30	33.7 Å²	33.7	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.1	174.5	-75.8	-172.9	-169.6	0	0	111.3	Y56 T57 R59 K166 M220 Y256	Y56-E218 CarbonylContact C-O 3.6Å; Y56-E218 WeakPolarHBondContact CA-O 3.15Å; T57-E218 PolarHBondContact N-O 3.37Å; T57-E218 PolarHBondContact O-N 2.98Å; T57-E218 VanDerWaalsContact O-N 3.08Å; R59-E218 IonicContact CZ-OE1 2.66Å; R59-E218 IonicContact NH2-OE1 2.6Å; R59-E218 PolarHBondContact NH2-OE1 3.26Å; R59-E218 IonicContact NH2-OE2 2.7Å; R59-E218 PolarHBondContact NH2-OE2 3.32Å; K166-E218 HydrophobicContact CB-CG 4.08Å; K166-E218 HydrophobicContact CD-CG 4.1Å; K166-E218 WeakPolarHBondContact CD-OE1 3.29Å; K166-E218 HydrophobicContact CG-CG 3.82Å; K166-E218 IonicContact NZ-OE1 2.66Å; K166-E218 PolarHBondContact NZ-OE1 3.18Å; E218-M220 PolarHBondContact O-N 2.93Å; E218-Y256 PolarHBondContact OE2-OH 3.33Å
219	P	91	Very high	88.3	Confident	22 Å²	22	36.4 Å²	36.4	14%	0.143	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	131.8	178	-24.9	34	0	0	0	112.7	N55 Y56 G221 E222	N55-P219 CarbonylContact O-C 3.6Å; N55-P219 WeakPolarHBondContact O-CA 3.44Å; Y56-P219 HydrophobicContact CE1-CG 4.15Å; P219-G221 PolarHBondContact O-N 3.11Å; P219-E222 PolarHBondContact O-N 2.96Å; P219-E222 VanDerWaalsContact O-N 3.13Å
220	M	82.4	Confident	88.1	Confident	23 Å²	23	37.4 Å²	37.4	11%	0.113	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.3	-179.4	-164	69.8	76.3	0	0	112.6	H52 H53 N55 Y56 T57 E218 E222 S223 A225	H52-M220 HydrophobicContact CB-CE 3.89Å; H53-M220 WeakPolarHBondContact O-CE 3.03Å; N55-M220 WeakPolarHBondContact O-CB 3.04Å; N55-M220 PolarHBondContact O-N 3.39Å; Y56-M220 WeakPolarHBondContact O-CE 3.35Å; T57-M220 HydrophobicContact CG2-CE 3.98Å; T57-M220 HydrophobicContact CG2-SD 3.66Å; E218-M220 PolarHBondContact O-N 2.93Å; M220-E222 PolarHBondContact O-N 3.32Å; M220-S223 WeakPolarHBondContact O-CB 3.46Å; M220-S223 PolarHBondContact O-N 2.72Å; M220-A225 HydrophobicContact CE-CB 4.42Å; M220-A225 HydrophobicContact CG-CB 4.48Å; M220-A225 HydrophobicContact SD-CB 3.2Å; M220-A225 WeakPolarHBondContact SD-CB 3.43Å
221	G	75.2	Confident	87.9	Confident	35 Å²	35	39.7 Å²	39.7	36%	0.361	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61.4	-26.5	178.5	0	0	0	0	0	113.8	P219 K226	P219-G221 PolarHBondContact O-N 3.11Å; G221-K226 PolarHBondContact O-NZ 2.96Å
222	E	70.4	Confident	87.6	Confident	81 Å²	81	39 Å²	39	38%	0.379	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-92.3	-9.4	173.7	-61.6	-168.3	168.7	0	0	112.3	P219 M220 P238 I241	P219-E222 PolarHBondContact O-N 2.96Å; P219-E222 VanDerWaalsContact O-N 3.13Å; M220-E222 PolarHBondContact O-N 3.32Å; E222-P238 WeakPolarHBondContact O-CB 3.41Å; E222-P238 WeakPolarHBondContact O-CG 3.46Å; E222-I241 WeakPolarHBondContact O-CD1 3.43Å
223	S	76.1	Confident	87.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.208	C	C	.	.	S	Bend	trans	-92.1	152.9	-179.8	175.8	0	0	0	0	112.8	M220 A225 K226 D254	M220-S223 WeakPolarHBondContact O-CB 3.46Å; M220-S223 PolarHBondContact O-N 2.72Å; S223-A225 PolarHBondContact O-N 2.78Å; S223-A225 WeakPolarHBondContact OG-CB 3.15Å; S223-A225 PolarHBondContact OG-N 3.19Å; S223-A225 VanDerWaalsContact OG-N 3.13Å; S223-K226 WeakPolarHBondContact O-CG 3.27Å; S223-D254 WeakPolarHBondContact CA-OD1 2.93Å; S223-D254 WeakPolarHBondContact CB-OD2 3.24Å; S223-D254 VanDerWaalsContact OG-CG 3.29Å; S223-D254 PolarHBondContact OG-OD1 2.85Å; S223-D254 PolarHBondContact OG-OD2 2.84Å
224	C	84.2	Confident	86.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.5	167.4	-64.7	0	0	0	0	112.6	K226 Y227 C243 C252 D254	C224-K226 PolarHBondContact O-N 2.78Å; C224-Y227 WeakPolarHBondContact O-CB 3.08Å; C224-Y227 WeakPolarHBondContact O-CD2 3.38Å; C224-Y227 PolarHBondContact O-N 3.36Å; C224-C243 HydrophobicContact CB-CB 3.68Å; C224-C243 WeakPolarHBondContact CB-SG 3.41Å; C224-C243 WeakPolarHBondContact SG-CA 3.38Å; C224-C243 WeakPolarHBondContact SG-CB 3.42Å; C224-C243 CovalentContact SG-SG 2.01Å; C224-C243 PolarHBondContact SG-SG 2.99Å; C224-C252 WeakPolarHBondContact O-CB 3.27Å; C224-C252 PolarHBondContact O-SG 3.21Å; C224-D254 WeakPolarHBondContact CB-OD1 3.28Å; C224-D254 PolarHBondContact N-OD1 2.87Å; C224-D254 PolarHBondContact SG-OD1 2.82Å
225	A	81.1	Confident	86.3	Confident	19 Å²	19	46.5 Å²	46.5	16%	0.157	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.2	-15	-175.7	0	0	0	0	0	115.2	H52 T57 M220 S223 Y227 C252	H52-A225 WeakPolarHBondContact CE1-CB 3.32Å; H52-A225 WeakPolarHBondContact NE2-CB 3.35Å; T57-A225 HydrophobicContact CG2-CB 4.4Å; M220-A225 HydrophobicContact CE-CB 4.42Å; M220-A225 HydrophobicContact CG-CB 4.48Å; M220-A225 HydrophobicContact SD-CB 3.2Å; M220-A225 WeakPolarHBondContact SD-CB 3.43Å; S223-A225 PolarHBondContact O-N 2.78Å; S223-A225 WeakPolarHBondContact OG-CB 3.15Å; S223-A225 PolarHBondContact OG-N 3.19Å; S223-A225 VanDerWaalsContact OG-N 3.13Å; A225-Y227 VanDerWaalsContact C-N 3.26Å; A225-Y227 PolarHBondContact O-N 2.93Å; A225-C252 WeakPolarHBondContact CA-O 3.25Å
226	K	79.2	Confident	85.7	Confident	94 Å²	94	46.9 Å²	46.9	41%	0.409	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-70	-18	170.7	72.6	-167.4	175.6	-177.5	0	114.2	G221 S223 C224	G221-K226 PolarHBondContact O-NZ 2.96Å; S223-K226 WeakPolarHBondContact O-CG 3.27Å; C224-K226 PolarHBondContact O-N 2.78Å
227	Y	85.3	Confident	85.1	Confident	58 Å²	58	55.7 Å²	55.7	23%	0.227	29%	0.285	C	S	.	.			trans	-87.1	117.4	-179.4	-60.8	-72.8	0	0	0	110.4	C224 A225 S232 A236 P238 C252	C224-Y227 WeakPolarHBondContact O-CB 3.08Å; C224-Y227 WeakPolarHBondContact O-CD2 3.38Å; C224-Y227 PolarHBondContact O-N 3.36Å; A225-Y227 VanDerWaalsContact C-N 3.26Å; A225-Y227 PolarHBondContact O-N 2.93Å; Y227-S232 WeakPolarHBondContact CB-OG 3.16Å; Y227-A236 HydrophobicContact CD1-CB 4.14Å; Y227-A236 HydrophobicContact CD2-CB 3.47Å; Y227-A236 VanDerWaalsContact CD2-CB 3.47Å; Y227-A236 HydrophobicContact CE1-CB 3.79Å; Y227-A236 HydrophobicContact CE2-CB 3.13Å; Y227-A236 HydrophobicContact CG-CB 3.99Å; Y227-P238 HydrophobicContact CE2-CG 4.27Å; Y227-C252 VanDerWaalsContact O-CB 3.24Å; Y227-C252 WeakPolarHBondContact O-CB 3.24Å
228	N	84.5	Confident	84.3	Confident	137 Å²	137	56.1 Å²	56.1	73%	0.733	29%	0.288	S	S	*	.			trans	-100.3	3.9	-171.9	66.2	-8.2	0	0	0	114.2	W245	N228-W245 WeakPolarHBondContact O-CH2 3.39Å
229	T	88.1	Confident	83.4	Confident	65 Å²	65	58.7 Å²	58.7	40%	0.399	31%	0.309	S	S	.	.	S	Bend	trans	-130.4	150.3	174	68.1	0	0	0	0	110.7	E231 S232 C233 W245	T229-E231 VanDerWaalsContact C-N 3.27Å; T229-E231 PolarHBondContact O-N 3.47Å; T229-S232 PolarHBondContact N-OG 2.94Å; T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 PolarHBondContact O-OG 3.26Å; T229-S232 VanDerWaalsContact OG1-CB 3.25Å; T229-S232 WeakPolarHBondContact OG1-CB 3.42Å; T229-S232 PolarHBondContact OG1-N 2.81Å; T229-S232 PolarHBondContact OG1-OG 2.91Å; T229-C233 VanDerWaalsContact O-CB 3.26Å; T229-C233 WeakPolarHBondContact O-CB 2.98Å; T229-C233 PolarHBondContact O-N 3.03Å; T229-W245 VanDerWaalsContact C-CZ3 3.46Å
230	S	89.5	Confident	82.7	Confident	32 Å²	32	65.1 Å²	65.1	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-56.7	-41.9	177.4	64.2	0	0	0	0	112.3	C233 E234 W245	S230-C233 WeakPolarHBondContact O-CB 3.41Å; S230-C233 PolarHBondContact O-N 3.04Å; S230-E234 WeakPolarHBondContact O-CB 3.33Å; S230-E234 VanDerWaalsContact O-CG 3.27Å; S230-E234 WeakPolarHBondContact O-CG 3.41Å; S230-E234 PolarHBondContact O-N 3.06Å; S230-W245 VanDerWaalsContact CA-CD2 3.44Å
231	E	88.9	Confident	82.6	Confident	141 Å²	141	65.5 Å²	65.5	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-47	179.6	-176.3	-178.6	-179.4	0	0	111.8	T229 C233 N235	T229-E231 VanDerWaalsContact C-N 3.27Å; T229-E231 PolarHBondContact O-N 3.47Å; E231-C233 VanDerWaalsContact C-N 3.27Å; E231-C233 PolarHBondContact O-N 2.87Å; E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 2.84Å; E231-N235 PolarHBondContact O-ND2 2.61Å
232	S	90.4	Very high	83	Confident	37 Å²	37	66.2 Å²	66.2	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-35.4	177.4	67.7	0	0	0	0	112.1	Y227 T229 A236	Y227-S232 WeakPolarHBondContact CB-OG 3.16Å; T229-S232 PolarHBondContact N-OG 2.94Å; T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 PolarHBondContact O-OG 3.26Å; T229-S232 VanDerWaalsContact OG1-CB 3.25Å; T229-S232 WeakPolarHBondContact OG1-CB 3.42Å; T229-S232 PolarHBondContact OG1-N 2.81Å; T229-S232 PolarHBondContact OG1-OG 2.91Å; S232-A236 WeakPolarHBondContact O-CB 3.38Å; S232-A236 PolarHBondContact O-N 3.24Å
233	C	89.8	Confident	83.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-51	178.7	179.5	0	0	0	0	112.1	T229 S230 E231 N235 A236 C243 I244 W245 C252	T229-C233 VanDerWaalsContact O-CB 3.26Å; T229-C233 WeakPolarHBondContact O-CB 2.98Å; T229-C233 PolarHBondContact O-N 3.03Å; S230-C233 WeakPolarHBondContact O-CB 3.41Å; S230-C233 PolarHBondContact O-N 3.04Å; E231-C233 VanDerWaalsContact C-N 3.27Å; E231-C233 PolarHBondContact O-N 2.87Å; C233-N235 VanDerWaalsContact C-N 3.25Å; C233-N235 PolarHBondContact O-N 2.82Å; C233-A236 WeakPolarHBondContact O-CB 3.32Å; C233-A236 PolarHBondContact O-N 2.95Å; C233-A236 VanDerWaalsContact O-N 3.1Å; C233-C243 WeakPolarHBondContact O-CB 3.5Å; C233-I244 PolarHBondContact SG-O 2.81Å; C233-W245 HydrophobicContact CB-CB 4.3Å; C233-W245 HydrophobicContact CB-CE3 3.72Å; C233-W245 HydrophobicContact CB-CZ3 4.49Å; C233-W245 PolarHBondContact SG-N 3.08Å; C233-W245 VanDerWaalsContact SG-N 3.45Å; C233-C252 WeakPolarHBondContact CA-SG 3.43Å; C233-C252 HydrophobicContact CB-CB 3.57Å; C233-C252 WeakPolarHBondContact CB-SG 3.45Å; C233-C252 VanDerWaalsContact SG-CA 3.53Å; C233-C252 WeakPolarHBondContact SG-CB 3.39Å; C233-C252 CovalentContact SG-SG 2.01Å; C233-C252 PolarHBondContact SG-SG 3.44Å
234	E	87.3	Confident	84.4	Confident	59 Å²	59	63.5 Å²	63.5	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-27.9	-176.5	-72.1	177.8	-156.9	0	0	112.8	S230 R269 K271	S230-E234 WeakPolarHBondContact O-CB 3.33Å; S230-E234 VanDerWaalsContact O-CG 3.27Å; S230-E234 WeakPolarHBondContact O-CG 3.41Å; S230-E234 PolarHBondContact O-N 3.06Å; E234-R269 WeakPolarHBondContact OE1-CD 3.37Å; E234-R269 IonicContact OE1-NH1 3.37Å; E234-K271 WeakPolarHBondContact OE2-CE 3.35Å; E234-K271 IonicContact OE2-NZ 3.51Å; E234-K271 PolarHBondContact OE2-NZ 2.87Å
235	N	86.9	Confident	84.6	Confident	123 Å²	123	64 Å²	64	66%	0.658	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8	176.3	-67.8	-43.1	0	0	0	113.2	E231 C233	E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 2.84Å; E231-N235 PolarHBondContact O-ND2 2.61Å; C233-N235 VanDerWaalsContact C-N 3.25Å; C233-N235 PolarHBondContact O-N 2.82Å
236	A	85.4	Confident	84.8	Confident	8 Å²	8	63.2 Å²	63.2	7%	0.066	33%	0.331	C	S	.	.			trans	-83	142	-175.3	0	0	0	0	0	112.9	Y227 S232 C233 C243	Y227-A236 HydrophobicContact CD1-CB 4.14Å; Y227-A236 HydrophobicContact CD2-CB 3.47Å; Y227-A236 VanDerWaalsContact CD2-CB 3.47Å; Y227-A236 HydrophobicContact CE1-CB 3.79Å; Y227-A236 HydrophobicContact CE2-CB 3.13Å; Y227-A236 HydrophobicContact CG-CB 3.99Å; S232-A236 WeakPolarHBondContact O-CB 3.38Å; S232-A236 PolarHBondContact O-N 3.24Å; C233-A236 WeakPolarHBondContact O-CB 3.32Å; C233-A236 PolarHBondContact O-N 2.95Å; C233-A236 VanDerWaalsContact O-N 3.1Å; A236-C243 HydrophobicContact CB-CB 4.48Å
237	R	83.3	Confident	85.1	Confident	204 Å²	204	61.5 Å²	61.5	77%	0.77	33%	0.326	S	S	*	.			trans	-142.2	69.1	169.6	-61.5	-174.6	-173.5	167.5	3	110	S239 I241	R237-S239 PolarHBondContact O-N 3.21Å; R237-I241 WeakPolarHBondContact CA-O 3.23Å
238	P	78	Confident	84.9	Confident	10 Å²	10	64.6 Å²	64.6	7%	0.065	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.7	124	176.4	30.1	-32.2	0	0	0	108.4	E222 Y227 D240 I241 C243	E222-P238 WeakPolarHBondContact O-CB 3.41Å; E222-P238 WeakPolarHBondContact O-CG 3.46Å; Y227-P238 HydrophobicContact CE2-CG 4.27Å; P238-D240 PolarHBondContact O-N 2.87Å; P238-I241 HydrophobicContact CG-CB 4.39Å; P238-I241 VanDerWaalsContact O-CB 3.28Å; P238-I241 WeakPolarHBondContact O-CB 3.36Å; P238-I241 WeakPolarHBondContact O-CG1 3.33Å; P238-I241 PolarHBondContact O-N 3.06Å; P238-C243 VanDerWaalsContact CD-SG 3.52Å
239	S	75.5	Confident	84.7	Confident	84 Å²	84	59.8 Å²	59.8	59%	0.587	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	49.1	39.5	177.1	-55	0	0	0	0	114.1	R237 I241	R237-S239 PolarHBondContact O-N 3.21Å; S239-I241 PolarHBondContact O-N 3.3Å
240	D	75	Confident	84.5	Confident	156 Å²	156	62.1 Å²	62.1	83%	0.834	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	64	11.6	-176.7	-58	-47.9	0	0	0	116.3	P238	P238-D240 PolarHBondContact O-N 2.87Å
241	I	80.9	Confident	84.3	Confident	31 Å²	31	61 Å²	61	16%	0.159	32%	0.317	C	S	.	.			trans	-75.2	127.1	173	-55.2	177.7	0	0	0	109.3	E222 R237 P238 S239 D254	E222-I241 WeakPolarHBondContact O-CD1 3.43Å; R237-I241 WeakPolarHBondContact CA-O 3.23Å; P238-I241 HydrophobicContact CG-CB 4.39Å; P238-I241 VanDerWaalsContact O-CB 3.28Å; P238-I241 WeakPolarHBondContact O-CB 3.36Å; P238-I241 WeakPolarHBondContact O-CG1 3.33Å; P238-I241 PolarHBondContact O-N 3.06Å; S239-I241 PolarHBondContact O-N 3.3Å; I241-D254 HydrophobicContact CG2-CB 3.79Å
242	A	83.9	Confident	84.1	Confident	50 Å²	50	54.2 Å²	54.2	41%	0.413	29%	0.285	S	S	.	.			trans	-76.5	132.7	174	0	0	0	0	0	110.4	I255	A242-I255 HydrophobicContact CB-CB 4.16Å; A242-I255 HydrophobicContact CB-CD1 3.98Å; A242-I255 HydrophobicContact CB-CG1 4.39Å; A242-I255 WeakPolarHBondContact O-CB 3.25Å; A242-I255 WeakPolarHBondContact O-CG1 3.4Å; A242-I255 PolarHBondContact O-N 2.91Å
243	C	86.8	Confident	83.8	Confident	17 Å²	17	52.5 Å²	52.5	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.5	-178.3	-60.1	0	0	0	0	112	C224 C233 A236 P238 I253	C224-C243 HydrophobicContact CB-CB 3.68Å; C224-C243 WeakPolarHBondContact CB-SG 3.41Å; C224-C243 WeakPolarHBondContact SG-CA 3.38Å; C224-C243 WeakPolarHBondContact SG-CB 3.42Å; C224-C243 CovalentContact SG-SG 2.01Å; C224-C243 PolarHBondContact SG-SG 2.99Å; C233-C243 WeakPolarHBondContact O-CB 3.5Å; A236-C243 HydrophobicContact CB-CB 4.48Å; P238-C243 VanDerWaalsContact CD-SG 3.52Å; C243-I253 WeakPolarHBondContact CA-O 3.14Å
244	I	88.2	Confident	83.4	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.4	171.5	-173.3	175.7	0	0	0	111.3	C233 I253 I255 L263 C268 R269 V270	C233-I244 PolarHBondContact SG-O 2.81Å; I244-I253 HydrophobicContact CG2-CD1 3.69Å; I244-I253 HydrophobicContact CG2-CG1 3.43Å; I244-I253 VanDerWaalsContact CG2-CG1 3.43Å; I244-I253 PolarHBondContact N-O 3.17Å; I244-I253 WeakPolarHBondContact O-CG1 3.32Å; I244-I253 PolarHBondContact O-N 3.44Å; I244-I255 HydrophobicContact CB-CD1 3.92Å; I244-I255 HydrophobicContact CB-CG1 4.02Å; I244-I255 HydrophobicContact CG2-CD1 4.08Å; I244-I255 HydrophobicContact CG2-CG1 3.63Å; I244-L263 HydrophobicContact CD1-CD1 3.93Å; I244-L263 HydrophobicContact CD1-CD2 4.24Å; I244-L263 HydrophobicContact CG2-CD1 4.5Å; I244-L263 HydrophobicContact CG2-CD2 3.68Å; I244-C268 HydrophobicContact CD1-CB 3.67Å; I244-C268 HydrophobicContact CG1-CB 3.99Å; I244-R269 WeakPolarHBondContact CD1-O 3.31Å; I244-R269 WeakPolarHBondContact CG1-O 3.32Å; I244-V270 HydrophobicContact CD1-CB 4.24Å; I244-V270 HydrophobicContact CD1-CG2 3.62Å
245	W	89.1	Confident	82.9	Confident	12 Å²	12	52.8 Å²	52.8	5%	0.045	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.2	177.5	-175.6	-100.5	0	0	0	111.6	N228 T229 S230 C233 D247 N250 C252 C268 R269	N228-W245 WeakPolarHBondContact O-CH2 3.39Å; T229-W245 VanDerWaalsContact C-CZ3 3.46Å; S230-W245 VanDerWaalsContact CA-CD2 3.44Å; C233-W245 HydrophobicContact CB-CB 4.3Å; C233-W245 HydrophobicContact CB-CE3 3.72Å; C233-W245 HydrophobicContact CB-CZ3 4.49Å; C233-W245 PolarHBondContact SG-N 3.08Å; C233-W245 VanDerWaalsContact SG-N 3.45Å; W245-D247 VanDerWaalsContact CD1-OD1 3.23Å; W245-D247 PolarHBondContact NE1-OD1 3.37Å; W245-N250 VanDerWaalsContact CH2-C 3.5Å; W245-N250 HydrophobicContact CZ2-CB 4.17Å; W245-C252 HydrophobicContact CE3-CB 3.93Å; W245-C252 HydrophobicContact CZ3-CB 4.16Å; W245-C268 CarbonylContact O-C 3.29Å; W245-C268 VanDerWaalsContact O-CA 3.25Å; W245-C268 WeakPolarHBondContact O-CA 3.38Å; W245-C268 WeakPolarHBondContact O-CB 3.49Å; W245-R269 PolarHBondContact O-N 2.92Å
246	C	86	Confident	81.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.5	175	-55.6	0	0	0	0	111	K248 N249 N250 T251 I253 N266 C268	C246-K248 PolarHBondContact O-N 3.44Å; C246-N249 PolarHBondContact O-N 2.87Å; C246-N250 WeakPolarHBondContact O-CA 3.36Å; C246-N250 PolarHBondContact O-N 2.79Å; C246-T251 HydrophobicContact CB-CG2 4.28Å; C246-T251 PolarHBondContact N-O 3.31Å; C246-T251 PolarHBondContact O-N 3.43Å; C246-I253 WeakPolarHBondContact SG-CD1 3.38Å; C246-N266 HydrophobicContact CB-CB 4.4Å; C246-C268 HydrophobicContact CB-CB 3.98Å; C246-C268 WeakPolarHBondContact CB-SG 3.47Å; C246-C268 WeakPolarHBondContact SG-CB 3.32Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.39Å
247	D	84.8	Confident	80.6	Confident	59 Å²	59	55.6 Å²	55.6	32%	0.316	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.5	-37.2	-174.4	-72.3	-54.6	0	0	0	112	W245 N249 N250 N267 R269	W245-D247 VanDerWaalsContact CD1-OD1 3.23Å; W245-D247 PolarHBondContact NE1-OD1 3.37Å; D247-N249 PolarHBondContact O-N 3.3Å; D247-N250 PolarHBondContact O-N 3.31Å; D247-N250 PolarHBondContact O-OD1 3.04Å; D247-N267 PolarHBondContact N-O 3.39Å; D247-R269 IonicContact OD1-CZ 2.72Å; D247-R269 IonicContact OD1-NE 2.95Å; D247-R269 PolarHBondContact OD1-NE 2.87Å; D247-R269 IonicContact OD1-NH2 3.64Å; D247-R269 PolarHBondContact OD1-NH2 2.76Å; D247-R269 WeakPolarHBondContact OD2-CG 3.47Å; D247-R269 IonicContact OD2-CZ 3.46Å; D247-R269 IonicContact OD2-NE 3.61Å; D247-R269 PolarHBondContact OD2-NE 3.35Å; D247-R269 IonicContact OD2-NH2 2.86Å
248	K	81.5	Confident	79.1	Confident	123 Å²	123	55.2 Å²	55.2	54%	0.535	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.6	-39.3	179.7	-171.7	-175.1	-176.2	-179.1	0	112.3	C246 E265 N266 N267	C246-K248 PolarHBondContact O-N 3.44Å; K248-E265 PolarHBondContact NZ-O 3.08Å; K248-N266 WeakPolarHBondContact CB-O 3.21Å; K248-N267 HydrophobicContact CB-CB 4.32Å
249	N	79.2	Confident	78	Confident	35 Å²	35	59.1 Å²	59.1	19%	0.187	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-106.7	-2.7	-174.3	-64.2	17.9	0	0	0	111.8	K40 I42 C246 D247 T251 N266	K40-N249 PolarHBondContact NZ-O 3.01Å; I42-N249 PolarHBondContact O-ND2 2.92Å; C246-N249 PolarHBondContact O-N 2.87Å; D247-N249 PolarHBondContact O-N 3.3Å; N249-T251 VanDerWaalsContact C-N 3.29Å; N249-T251 HydrophobicContact CB-CG2 3.64Å; N249-T251 PolarHBondContact O-N 2.95Å; N249-N266 PolarHBondContact ND2-OD1 3.06Å
250	N	85	Confident	77.5	Confident	115 Å²	115	57.4 Å²	57.4	62%	0.615	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	52.1	-171.1	-65.8	-53.2	0	0	0	112.1	W245 C246 D247	W245-N250 VanDerWaalsContact CH2-C 3.5Å; W245-N250 HydrophobicContact CZ2-CB 4.17Å; C246-N250 WeakPolarHBondContact O-CA 3.36Å; C246-N250 PolarHBondContact O-N 2.79Å; D247-N250 PolarHBondContact O-N 3.31Å; D247-N250 PolarHBondContact O-OD1 3.04Å
251	T	84.5	Confident	77.1	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.1	-173.8	-162	0	0	0	0	110.9	I42 C246 N249 I253	I42-T251 HydrophobicContact CD1-CG2 4Å; I42-T251 HydrophobicContact CG2-CG2 4.41Å; C246-T251 HydrophobicContact CB-CG2 4.28Å; C246-T251 PolarHBondContact N-O 3.31Å; C246-T251 PolarHBondContact O-N 3.43Å; N249-T251 VanDerWaalsContact C-N 3.29Å; N249-T251 HydrophobicContact CB-CG2 3.64Å; N249-T251 PolarHBondContact O-N 2.95Å; T251-I253 HydrophobicContact CG2-CG2 3.96Å
252	C	85.2	Confident	76.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.7	169.4	-168.8	0	0	0	0	109.3	C224 A225 Y227 C233 W245	C224-C252 WeakPolarHBondContact O-CB 3.27Å; C224-C252 PolarHBondContact O-SG 3.21Å; A225-C252 WeakPolarHBondContact CA-O 3.25Å; Y227-C252 VanDerWaalsContact O-CB 3.24Å; Y227-C252 WeakPolarHBondContact O-CB 3.24Å; C233-C252 WeakPolarHBondContact CA-SG 3.43Å; C233-C252 HydrophobicContact CB-CB 3.57Å; C233-C252 WeakPolarHBondContact CB-SG 3.45Å; C233-C252 VanDerWaalsContact SG-CA 3.53Å; C233-C252 WeakPolarHBondContact SG-CB 3.39Å; C233-C252 CovalentContact SG-SG 2.01Å; C233-C252 PolarHBondContact SG-SG 3.44Å; W245-C252 HydrophobicContact CE3-CB 3.93Å; W245-C252 HydrophobicContact CZ3-CB 4.16Å
253	I	84.1	Confident	75.9	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.2	-176.9	58.2	160.4	0	0	0	110.5	I42 Y50 C243 I244 C246 T251 Y262 L263	I42-I253 HydrophobicContact CG2-CG2 3.63Å; Y50-I253 HydrophobicContact CE1-CB 4.27Å; Y50-I253 HydrophobicContact CE1-CG2 4.04Å; C243-I253 WeakPolarHBondContact CA-O 3.14Å; I244-I253 HydrophobicContact CG2-CD1 3.69Å; I244-I253 HydrophobicContact CG2-CG1 3.43Å; I244-I253 VanDerWaalsContact CG2-CG1 3.43Å; I244-I253 PolarHBondContact N-O 3.17Å; I244-I253 WeakPolarHBondContact O-CG1 3.32Å; I244-I253 PolarHBondContact O-N 3.44Å; C246-I253 WeakPolarHBondContact SG-CD1 3.38Å; T251-I253 HydrophobicContact CG2-CG2 3.96Å; I253-Y262 HydrophobicContact CD1-CD2 4.45Å; I253-Y262 HydrophobicContact CD1-CE2 3.51Å; I253-L263 HydrophobicContact CD1-CD2 3.34Å; I253-L263 HydrophobicContact CG1-CD2 4.49Å
254	D	81.7	Confident	75	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.011	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.6	175.7	-53.1	-51.4	0	0	0	110.8	Y50 S223 C224 I241 Y256 Y262	Y50-D254 PolarHBondContact OH-OD2 2.76Å; S223-D254 WeakPolarHBondContact CA-OD1 2.93Å; S223-D254 WeakPolarHBondContact CB-OD2 3.24Å; S223-D254 VanDerWaalsContact OG-CG 3.29Å; S223-D254 PolarHBondContact OG-OD1 2.85Å; S223-D254 PolarHBondContact OG-OD2 2.84Å; C224-D254 WeakPolarHBondContact CB-OD1 3.28Å; C224-D254 PolarHBondContact N-OD1 2.87Å; C224-D254 PolarHBondContact SG-OD1 2.82Å; I241-D254 HydrophobicContact CG2-CB 3.79Å; D254-Y256 HydrophobicContact CB-CD2 3.48Å; D254-Y256 VanDerWaalsContact CB-CD2 3.48Å; D254-Y256 HydrophobicContact CB-CE2 3.04Å; D254-Y256 HydrophobicContact CB-CG 4.4Å; D254-Y256 PolarHBondContact O-N 3.18Å; D254-Y256 WeakPolarHBondContact OD2-CE2 3.39Å; D254-Y256 PolarHBondContact OD2-OH 2.85Å; D254-Y262 PolarHBondContact O-OH 2.86Å
255	I	76.7	Confident	74	Confident	63 Å²	63	62.9 Å²	62.9	32%	0.323	30%	0.3	S	S	.	.			trans	-92.1	90.8	171.9	-51	173.8	0	0	0	108.3	A242 I244	A242-I255 HydrophobicContact CB-CB 4.16Å; A242-I255 HydrophobicContact CB-CD1 3.98Å; A242-I255 HydrophobicContact CB-CG1 4.39Å; A242-I255 WeakPolarHBondContact O-CB 3.25Å; A242-I255 WeakPolarHBondContact O-CG1 3.4Å; A242-I255 PolarHBondContact O-N 2.91Å; I244-I255 HydrophobicContact CB-CD1 3.92Å; I244-I255 HydrophobicContact CB-CG1 4.02Å; I244-I255 HydrophobicContact CG2-CD1 4.08Å; I244-I255 HydrophobicContact CG2-CG1 3.63Å
256	Y	65.1	Low	72.9	Confident	72 Å²	72	62.8 Å²	62.8	28%	0.282	30%	0.3	S	S	.	.			trans	-88.9	-21.8	177.3	-70.3	-78.2	0	0	0	114.1	R59 E218 D254	R59-Y256 VanDerWaalsContact NH1-CD1 3.29Å; E218-Y256 PolarHBondContact OE2-OH 3.33Å; D254-Y256 HydrophobicContact CB-CD2 3.48Å; D254-Y256 VanDerWaalsContact CB-CD2 3.48Å; D254-Y256 HydrophobicContact CB-CE2 3.04Å; D254-Y256 HydrophobicContact CB-CG 4.4Å; D254-Y256 PolarHBondContact O-N 3.18Å; D254-Y256 WeakPolarHBondContact OD2-CE2 3.39Å; D254-Y256 PolarHBondContact OD2-OH 2.85Å
257	Y	57.7	Low	72.3	Confident	118 Å²	118	68 Å²	68	46%	0.463	33%	0.328	S	S	.	.			trans	-131.2	150.5	-169.5	-71.1	-75.8	0	0	0	113.1	N259	Y257-N259 PolarHBondContact O-N 2.86Å
258	Q	53.2	Low	72.2	Confident	195 Å²	195	65.8 Å²	65.8	91%	0.911	32%	0.317	S	S	*	.	S	Bend	trans	-61.5	-24.1	163.2	-68.7	-179	-14.2	0	0	112.3	T260	Q258-T260 PolarHBondContact O-N 2.91Å
259	N	54.5	Low	71.9	Confident	92 Å²	92	65.1 Å²	65.1	49%	0.492	31%	0.311	S	S	.	.			trans	-70.9	97.1	175	-170.6	-19.3	0	0	0	109.3	Y257 D261 Y262	Y257-N259 PolarHBondContact O-N 2.86Å; N259-D261 WeakPolarHBondContact OD1-CB 3.49Å; N259-D261 PolarHBondContact OD1-N 2.95Å; N259-D261 PolarHBondContact OD1-OD2 2.8Å; N259-Y262 WeakPolarHBondContact O-CD1 3.39Å; N259-Y262 WeakPolarHBondContact O-CE1 3.49Å
260	T	64.6	Low	71.2	Confident	49 Å²	49	66.3 Å²	66.3	30%	0.301	32%	0.32	S	S	.	.			trans	-95.7	6.8	179.9	52.3	0	0	0	0	112.2	Q258 Y262 L263 K264	Q258-T260 PolarHBondContact O-N 2.91Å; T260-Y262 VanDerWaalsContact C-N 3.27Å; T260-Y262 PolarHBondContact O-N 2.99Å; T260-L263 HydrophobicContact CG2-CD1 3.58Å; T260-L263 WeakPolarHBondContact O-CA 3.2Å; T260-L263 WeakPolarHBondContact O-CB 3.34Å; T260-L263 PolarHBondContact O-N 3.09Å; T260-K264 PolarHBondContact O-N 3.46Å
261	D	67.3	Low	69.9	Low	93 Å²	93	67.7 Å²	67.7	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-35.7	-174.8	-68.4	-30.6	0	0	0	111.6	N259 L263 K264 E265	N259-D261 WeakPolarHBondContact OD1-CB 3.49Å; N259-D261 PolarHBondContact OD1-N 2.95Å; N259-D261 PolarHBondContact OD1-OD2 2.8Å; D261-L263 PolarHBondContact O-N 3.15Å; D261-K264 WeakPolarHBondContact O-CB 3.25Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 IonicContact OD1-NZ 2.66Å; D261-K264 PolarHBondContact OD1-NZ 3.42Å; D261-E265 PolarHBondContact O-N 3.13Å
262	Y	66.8	Low	67.9	Low	27 Å²	27	75.1 Å²	75.1	11%	0.106	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-25.8	173	80.6	-84.2	0	0	0	113.2	Y43 I253 D254 N259 T260 K264 N266	Y43-Y262 HydrophobicContact CD1-CD2 4.42Å; Y43-Y262 HydrophobicContact CD1-CG 4.23Å; Y43-Y262 HydrophobicContact CE1-CG 4.44Å; Y43-Y262 HydrophobicContact CG-CD2 4.33Å; Y43-Y262 HydrophobicContact CG-CG 4.43Å; I253-Y262 HydrophobicContact CD1-CD2 4.45Å; I253-Y262 HydrophobicContact CD1-CE2 3.51Å; D254-Y262 PolarHBondContact O-OH 2.86Å; N259-Y262 WeakPolarHBondContact O-CD1 3.39Å; N259-Y262 WeakPolarHBondContact O-CE1 3.49Å; T260-Y262 VanDerWaalsContact C-N 3.27Å; T260-Y262 PolarHBondContact O-N 2.99Å; Y262-K264 VanDerWaalsContact C-N 3.34Å; Y262-N266 PolarHBondContact O-N 2.77Å; Y262-N266 PolarHBondContact O-ND2 2.66Å
263	L	71.6	Confident	65.6	Low	3 Å²	3	81 Å²	81	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-67.8	-38.6	175	-58.1	179	0	0	0	110.5	I244 I253 T260 D261 N266 N267 C268 V270	I244-L263 HydrophobicContact CD1-CD1 3.93Å; I244-L263 HydrophobicContact CD1-CD2 4.24Å; I244-L263 HydrophobicContact CG2-CD1 4.5Å; I244-L263 HydrophobicContact CG2-CD2 3.68Å; I253-L263 HydrophobicContact CD1-CD2 3.34Å; I253-L263 HydrophobicContact CG1-CD2 4.49Å; T260-L263 HydrophobicContact CG2-CD1 3.58Å; T260-L263 WeakPolarHBondContact O-CA 3.2Å; T260-L263 WeakPolarHBondContact O-CB 3.34Å; T260-L263 PolarHBondContact O-N 3.09Å; D261-L263 PolarHBondContact O-N 3.15Å; L263-N266 PolarHBondContact O-N 2.77Å; L263-N267 PolarHBondContact O-N 2.98Å; L263-C268 HydrophobicContact CB-CB 4.02Å; L263-C268 HydrophobicContact CD2-CB 4.1Å; L263-C268 WeakPolarHBondContact O-CB 3.47Å; L263-C268 PolarHBondContact O-N 2.98Å; L263-C268 PolarHBondContact O-SG 2.78Å; L263-C268 VanDerWaalsContact O-SG 3.38Å; L263-V270 HydrophobicContact CB-CG2 4.06Å; L263-V270 HydrophobicContact CD1-CG2 3.98Å
264	K	69.2	Low	63.2	Low	140 Å²	140	86.6 Å²	86.6	61%	0.609	42%	0.424	S	S	*	.	H	α-helix	trans	-65.1	-44.9	176.5	-62.8	174.9	-174.2	159.1	0	110.9	T260 D261 Y262 N266 N267	T260-K264 PolarHBondContact O-N 3.46Å; D261-K264 WeakPolarHBondContact O-CB 3.25Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 IonicContact OD1-NZ 2.66Å; D261-K264 PolarHBondContact OD1-NZ 3.42Å; Y262-K264 VanDerWaalsContact C-N 3.34Å; K264-N266 PolarHBondContact O-N 3.44Å; K264-N267 PolarHBondContact O-N 3.05Å; K264-N267 VanDerWaalsContact O-N 3.12Å
265	E	67.3	Low	60.7	Low	114 Å²	114	94.2 Å²	94.2	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-66.1	-27	-178.8	-166.2	173.2	176.5	0	0	113.6	Y43 K248 D261	Y43-E265 WeakPolarHBondContact CE2-OE2 3.32Å; K248-E265 PolarHBondContact NZ-O 3.08Å; D261-E265 PolarHBondContact O-N 3.13Å
266	N	65.5	Low	58.4	Low	10 Å²	10	93.5 Å²	93.5	5%	0.053	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.5	176.4	-74.1	-69.5	0	0	0	114	I42 C246 K248 N249 Y262 L263 K264 C268	I42-N266 PolarHBondContact O-OD1 2.91Å; C246-N266 HydrophobicContact CB-CB 4.4Å; K248-N266 WeakPolarHBondContact CB-O 3.21Å; N249-N266 PolarHBondContact ND2-OD1 3.06Å; Y262-N266 PolarHBondContact O-N 2.77Å; Y262-N266 PolarHBondContact O-ND2 2.66Å; L263-N266 PolarHBondContact O-N 2.77Å; K264-N266 PolarHBondContact O-N 3.44Å; N266-C268 VanDerWaalsContact C-N 3.3Å; N266-C268 VanDerWaalsContact CB-SG 3.52Å; N266-C268 PolarHBondContact O-N 2.7Å
267	N	73.2	Confident	56.8	Low	109 Å²	109	98.2 Å²	98.2	58%	0.583	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	49.9	-174.6	-65.3	-22.4	0	0	0	112.4	D247 K248 L263 K264	D247-N267 PolarHBondContact N-O 3.39Å; K248-N267 HydrophobicContact CB-CB 4.32Å; L263-N267 PolarHBondContact O-N 2.98Å; K264-N267 PolarHBondContact O-N 3.05Å; K264-N267 VanDerWaalsContact O-N 3.12Å
268	C	81.6	Confident	55.3	Low	14 Å²	14	98.5 Å²	98.5	10%	0.095	52%	0.516	C	S	.	.	B	Isolated β-bridge	trans	-83.5	142.9	177	-44.8	0	0	0	0	111.6	I244 W245 C246 L263 N266 V270	I244-C268 HydrophobicContact CD1-CB 3.67Å; I244-C268 HydrophobicContact CG1-CB 3.99Å; W245-C268 CarbonylContact O-C 3.29Å; W245-C268 VanDerWaalsContact O-CA 3.25Å; W245-C268 WeakPolarHBondContact O-CA 3.38Å; W245-C268 WeakPolarHBondContact O-CB 3.49Å; C246-C268 HydrophobicContact CB-CB 3.98Å; C246-C268 WeakPolarHBondContact CB-SG 3.47Å; C246-C268 WeakPolarHBondContact SG-CB 3.32Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.39Å; L263-C268 HydrophobicContact CB-CB 4.02Å; L263-C268 HydrophobicContact CD2-CB 4.1Å; L263-C268 WeakPolarHBondContact O-CB 3.47Å; L263-C268 PolarHBondContact O-N 2.98Å; L263-C268 PolarHBondContact O-SG 2.78Å; L263-C268 VanDerWaalsContact O-SG 3.38Å; N266-C268 VanDerWaalsContact C-N 3.3Å; N266-C268 VanDerWaalsContact CB-SG 3.52Å; N266-C268 PolarHBondContact O-N 2.7Å; C268-V270 VanDerWaalsContact C-N 3.35Å; C268-V270 PolarHBondContact O-N 2.9Å
269	R	76.1	Confident	54.3	Low	109 Å²	109	97.6 Å²	97.6	41%	0.411	51%	0.511	S	S	.	.			trans	-75.6	82.4	-177.7	-64	-175.6	-172.4	173.4	4.5	111	E234 I244 W245 D247 K271	E234-R269 WeakPolarHBondContact OE1-CD 3.37Å; E234-R269 IonicContact OE1-NH1 3.37Å; I244-R269 WeakPolarHBondContact CD1-O 3.31Å; I244-R269 WeakPolarHBondContact CG1-O 3.32Å; W245-R269 PolarHBondContact O-N 2.92Å; D247-R269 IonicContact OD1-CZ 2.72Å; D247-R269 IonicContact OD1-NE 2.95Å; D247-R269 PolarHBondContact OD1-NE 2.87Å; D247-R269 IonicContact OD1-NH2 3.64Å; D247-R269 PolarHBondContact OD1-NH2 2.76Å; D247-R269 WeakPolarHBondContact OD2-CG 3.47Å; D247-R269 IonicContact OD2-CZ 3.46Å; D247-R269 IonicContact OD2-NE 3.61Å; D247-R269 PolarHBondContact OD2-NE 3.35Å; D247-R269 IonicContact OD2-NH2 2.86Å; R269-K271 PolarHBondContact O-N 2.99Å; R269-K271 VanDerWaalsContact O-N 3.1Å
270	V	65.5	Low	53.3	Low	60 Å²	60	102.6 Å²	102.6	36%	0.364	53%	0.532	S	S	.	.			trans	-74.8	102.4	174.7	-174.6	0	0	0	0	107.7	I244 L263 C268 H272	I244-V270 HydrophobicContact CD1-CB 4.24Å; I244-V270 HydrophobicContact CD1-CG2 3.62Å; L263-V270 HydrophobicContact CB-CG2 4.06Å; L263-V270 HydrophobicContact CD1-CG2 3.98Å; C268-V270 VanDerWaalsContact C-N 3.35Å; C268-V270 PolarHBondContact O-N 2.9Å; V270-H272 PolarHBondContact O-N 2.69Å; V270-H272 VanDerWaalsContact O-N 3.11Å
271	K	57.4	Low	51.8	Low	143 Å²	143	106.3 Å²	106.3	62%	0.622	55%	0.55	S	S	*	.			trans	-69.1	105.6	162.9	-73	-177.4	-174	165.4	0	106.6	E234 R269 T273	E234-K271 WeakPolarHBondContact OE2-CE 3.35Å; E234-K271 IonicContact OE2-NZ 3.51Å; E234-K271 PolarHBondContact OE2-NZ 2.87Å; R269-K271 PolarHBondContact O-N 2.99Å; R269-K271 VanDerWaalsContact O-N 3.1Å; K271-T273 PolarHBondContact O-N 2.82Å
272	H	41.8	Very low	50.5	Low	163 Å²	163	105 Å²	105	76%	0.755	56%	0.559	S	S	*	*			trans	-60.8	104.5	165.5	-73.9	-76.9	0	0	0	107.6	V270 T274	V270-H272 PolarHBondContact O-N 2.69Å; V270-H272 VanDerWaalsContact O-N 3.11Å; H272-T274 PolarHBondContact O-N 2.75Å
273	T	36.6	Very low	49.3	Very low	124 Å²	124	110.6 Å²	110.6	76%	0.761	59%	0.586	S	S	*	*			trans	-76.4	79	165.5	-35.9	0	0	0	0	106.9	K271 D275	K271-T273 PolarHBondContact O-N 2.82Å; T273-D275 PolarHBondContact O-N 2.86Å
274	T	33.6	Very low	48.1	Very low	118 Å²	118	116.6 Å²	116.6	72%	0.724	62%	0.618	S	S	*	*			trans	-67.1	115.8	159.6	-48.2	0	0	0	0	106.2	H272 G276	H272-T274 PolarHBondContact O-N 2.75Å; T274-G276 PolarHBondContact O-N 3.03Å
275	D	29.9	Very low	47.2	Very low	163 Å²	163	118.2 Å²	118.2	87%	0.872	63%	0.625	S	S	*	*	S	Bend	trans	10.6	101.4	168.2	-61	-35.3	0	0	0	116.6	T273	T273-D275 PolarHBondContact O-N 2.86Å
276	G	28.4	Very low	46.7	Very low	47 Å²	47	115.8 Å²	115.8	49%	0.485	62%	0.621	S	S	.	*			trans	-174.7	67.2	174.4	0	0	0	0	0	111	T274 T278	T274-G276 PolarHBondContact O-N 3.03Å; G276-T278 PolarHBondContact O-N 3.1Å; G276-T278 PolarHBondContact O-OG1 3.46Å
277	I	30.9	Very low	46.2	Very low	172 Å²	172	119.3 Å²	119.3	88%	0.882	64%	0.639	S	S	*	*			trans	-58.8	92.1	159.4	-60.1	169.5	0	0	0	105.7
278	T	27.5	Very low	45.7	Very low	124 Å²	124	120.8 Å²	120.8	76%	0.761	64%	0.642	S	S	*	*			trans	-100.2	106.7	163.6	13.5	0	0	0	0	105.3	G276 E280	G276-T278 PolarHBondContact O-N 3.1Å; G276-T278 PolarHBondContact O-OG1 3.46Å; T278-E280 PolarHBondContact O-N 3.1Å
279	E	30.1	Very low	44.9	Very low	175 Å²	175	127.8 Å²	127.8	82%	0.818	67%	0.668	S	S	*	*			trans	-50.5	101.6	165.8	-73.6	178.7	136.6	0	0	108.4	N281	E279-N281 VanDerWaalsContact C-N 3.29Å; E279-N281 PolarHBondContact O-N 2.99Å
280	E	34.8	Very low	44.6	Very low	198 Å²	198	126.9 Å²	126.9	93%	0.925	67%	0.671	S	S	*	*			trans	-73.6	91.9	171.8	-105.8	-171.1	160.8	0	0	109.1	T278 G282	T278-E280 PolarHBondContact O-N 3.1Å; E280-G282 PolarHBondContact O-N 3.16Å
281	N	32.1	Very low	44.9	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	69%	0.685	S	S	*	*			trans	-7.2	113.6	162.9	-73.9	-36.1	0	0	0	116.3	E279 Q283	E279-N281 VanDerWaalsContact C-N 3.29Å; E279-N281 PolarHBondContact O-N 2.99Å; N281-Q283 PolarHBondContact O-N 3.5Å
282	G	40.5	Very low	45.8	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	11.3	171.1	0	0	0	0	0	116.5	E280	E280-G282 PolarHBondContact O-N 3.16Å
283	Q	41.3	Very low	47.4	Very low	144 Å²	144	124 Å²	124	67%	0.673	66%	0.659	S	S	*	*	H	α-helix	trans	-76.4	-35.1	176	-97	176.7	-27	0	0	113.2	N281 S286	N281-Q283 PolarHBondContact O-N 3.5Å; Q283-S286 PolarHBondContact O-N 3.42Å; Q283-S286 PolarHBondContact O-OG 2.79Å
284	N	46.7	Very low	49.4	Very low	129 Å²	129	122.6 Å²	122.6	69%	0.69	65%	0.645	S	S	*	*	H	α-helix	trans	-72.4	-31.9	-177.2	-85	-9.3	0	0	0	113.2	Q288	N284-Q288 PolarHBondContact O-N 2.81Å
285	K	50.5	Low	51.7	Low	173 Å²	173	120.3 Å²	120.3	75%	0.752	63%	0.632	S	S	*	*	H	α-helix	trans	-69	-35.7	177	-77.1	-174.5	179.2	176.9	0	112.8	Y289	K285-Y289 WeakPolarHBondContact O-CB 3.41Å; K285-Y289 PolarHBondContact O-N 2.76Å
286	S	57.5	Low	54	Low	64 Å²	64	117.4 Å²	117.4	45%	0.448	62%	0.616	S	S	.	*	H	α-helix	trans	-70	-37.9	-178.9	86.1	0	0	0	0	111.9	Q283 Y289 L290	Q283-S286 PolarHBondContact O-N 3.42Å; Q283-S286 PolarHBondContact O-OG 2.79Å; S286-Y289 PolarHBondContact O-N 2.79Å; S286-L290 PolarHBondContact O-N 2.76Å
287	L	55	Low	56.6	Low	83 Å²	83	118.5 Å²	118.5	44%	0.435	61%	0.613	S	S	.	*	H	α-helix	trans	-65.2	-46.7	175	-85.1	156.6	0	0	0	111.2	Y289 L290 Y291	L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 2.97Å; L287-L290 WeakPolarHBondContact O-CB 3.4Å; L287-L290 PolarHBondContact O-N 3.5Å; L287-Y291 HydrophobicContact CD2-CE2 3.99Å; L287-Y291 WeakPolarHBondContact O-CD2 3.22Å; L287-Y291 PolarHBondContact O-N 2.66Å; L287-Y291 VanDerWaalsContact O-N 3.09Å
288	Q	62.2	Low	59.2	Low	140 Å²	140	113.9 Å²	113.9	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-64.8	-35.8	179.9	-154.4	174.7	16.8	0	0	112.3	N284 Y291 V292	N284-Q288 PolarHBondContact O-N 2.81Å; Q288-Y291 PolarHBondContact O-N 2.89Å; Q288-V292 WeakPolarHBondContact O-CG2 3.3Å; Q288-V292 PolarHBondContact O-N 2.81Å
289	Y	63.8	Low	61.9	Low	162 Å²	162	110 Å²	110	64%	0.635	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-43.8	173.1	-175.1	-94.7	0	0	0	112.1	K285 S286 L287 Y291 V292 V293	K285-Y289 WeakPolarHBondContact O-CB 3.41Å; K285-Y289 PolarHBondContact O-N 2.76Å; S286-Y289 PolarHBondContact O-N 2.79Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 2.97Å; Y289-Y291 PolarHBondContact O-N 2.85Å; Y289-V292 PolarHBondContact O-N 3.37Å; Y289-V293 HydrophobicContact CD1-CG2 4.18Å; Y289-V293 HydrophobicContact CD2-CG2 3.9Å; Y289-V293 HydrophobicContact CE1-CB 4.36Å; Y289-V293 HydrophobicContact CE1-CG2 3.96Å; Y289-V293 HydrophobicContact CE2-CG2 3.66Å; Y289-V293 HydrophobicContact CG-CG2 4.16Å; Y289-V293 WeakPolarHBondContact O-CB 3.38Å; Y289-V293 WeakPolarHBondContact O-CG2 3.15Å; Y289-V293 PolarHBondContact O-N 3.16Å
290	L	69.7	Low	64.5	Low	90 Å²	90	107.8 Å²	107.8	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-59.5	-42.8	176.2	-89.4	158.3	0	0	0	112.3	S286 L287 V292 I294	S286-L290 PolarHBondContact O-N 2.76Å; L287-L290 WeakPolarHBondContact O-CB 3.4Å; L287-L290 PolarHBondContact O-N 3.5Å; L290-V292 PolarHBondContact O-N 2.66Å; L290-I294 HydrophobicContact CD2-CD1 3.55Å; L290-I294 HydrophobicContact CD2-CG1 4.39Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.41Å; L290-I294 PolarHBondContact O-N 3.08Å
291	Y	73.6	Confident	66.9	Low	172 Å²	172	104.2 Å²	104.2	68%	0.675	54%	0.541	S	S	*	.	H	α-helix	trans	-71.7	-25.7	-178.4	-75.9	-68.5	0	0	0	114.4	L287 Q288 Y289 P295	L287-Y291 HydrophobicContact CD2-CE2 3.99Å; L287-Y291 WeakPolarHBondContact O-CD2 3.22Å; L287-Y291 PolarHBondContact O-N 2.66Å; L287-Y291 VanDerWaalsContact O-N 3.09Å; Q288-Y291 PolarHBondContact O-N 2.89Å; Y289-Y291 PolarHBondContact O-N 2.85Å; Y291-P295 WeakPolarHBondContact O-CD 3.1Å; Y291-P295 WeakPolarHBondContact O-CG 3.49Å
292	V	75.4	Confident	69.6	Low	87 Å²	87	102.7 Å²	102.7	53%	0.527	54%	0.536	S	S	.	.	H	α-helix	trans	-92.9	-39.9	-179.2	178.5	0	0	0	0	111.8	Q288 Y289 L290 L296	Q288-V292 WeakPolarHBondContact O-CG2 3.3Å; Q288-V292 PolarHBondContact O-N 2.81Å; Y289-V292 PolarHBondContact O-N 3.37Å; L290-V292 PolarHBondContact O-N 2.66Å; V292-L296 HydrophobicContact CG1-CD1 4.23Å
293	V	75.3	Confident	71.7	Confident	47 Å²	47	104.6 Å²	104.6	29%	0.285	53%	0.529	S	S	.	.	H	α-helix	trans	-78.5	-38.5	-172.8	178.1	0	0	0	0	112.3	Y289 L296 V297	Y289-V293 HydrophobicContact CD1-CG2 4.18Å; Y289-V293 HydrophobicContact CD2-CG2 3.9Å; Y289-V293 HydrophobicContact CE1-CB 4.36Å; Y289-V293 HydrophobicContact CE1-CG2 3.96Å; Y289-V293 HydrophobicContact CE2-CG2 3.66Å; Y289-V293 HydrophobicContact CG-CG2 4.16Å; Y289-V293 WeakPolarHBondContact O-CB 3.38Å; Y289-V293 WeakPolarHBondContact O-CG2 3.15Å; Y289-V293 PolarHBondContact O-N 3.16Å; V293-L296 PolarHBondContact O-N 3.15Å; V293-V297 HydrophobicContact CG1-CG2 4.18Å; V293-V297 WeakPolarHBondContact O-CG2 3.35Å; V293-V297 PolarHBondContact O-N 2.93Å; V293-V297 VanDerWaalsContact O-N 3.07Å
294	I	79.3	Confident	73.8	Confident	93 Å²	93	100.2 Å²	100.2	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-49	-179.5	-67.1	172.7	0	0	0	111.8	L290 L296 V297 V298	L290-I294 HydrophobicContact CD2-CD1 3.55Å; L290-I294 HydrophobicContact CD2-CG1 4.39Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.41Å; L290-I294 PolarHBondContact O-N 3.08Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 2.91Å; I294-V297 PolarHBondContact O-N 2.84Å; I294-V298 HydrophobicContact CG2-CG2 4.25Å; I294-V298 VanDerWaalsContact O-CG2 3.28Å; I294-V298 WeakPolarHBondContact O-CG2 3.4Å; I294-V298 PolarHBondContact O-N 2.92Å
295	P	81.2	Confident	75.8	Confident	70 Å²	70	98.8 Å²	98.8	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-35.8	178.9	-25	36	0	0	0	113.6	Y291 V298 S299	Y291-P295 WeakPolarHBondContact O-CD 3.1Å; Y291-P295 WeakPolarHBondContact O-CG 3.49Å; P295-V298 PolarHBondContact O-N 2.79Å; P295-S299 VanDerWaalsContact O-CB 3.31Å; P295-S299 WeakPolarHBondContact O-CB 3.28Å; P295-S299 PolarHBondContact O-N 3.41Å
296	L	78.8	Confident	77.4	Confident	102 Å²	102	92.3 Å²	92.3	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-46.7	176.8	-86.2	166.1	0	0	0	111.6	V292 V293 I294 S299 F300	V292-L296 HydrophobicContact CG1-CD1 4.23Å; V293-L296 PolarHBondContact O-N 3.15Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 2.91Å; L296-S299 PolarHBondContact O-N 3.16Å; L296-F300 PolarHBondContact O-N 2.83Å
297	V	83	Confident	78.6	Confident	70 Å²	70	92.8 Å²	92.8	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-43.6	178.5	174.4	0	0	0	0	110.8	V293 I294 S299 F300 F301	V293-V297 HydrophobicContact CG1-CG2 4.18Å; V293-V297 WeakPolarHBondContact O-CG2 3.35Å; V293-V297 PolarHBondContact O-N 2.93Å; V293-V297 VanDerWaalsContact O-N 3.07Å; I294-V297 PolarHBondContact O-N 2.84Å; V297-S299 PolarHBondContact O-N 2.81Å; V297-F300 WeakPolarHBondContact O-CB 3.36Å; V297-F300 PolarHBondContact O-N 2.85Å; V297-F301 HydrophobicContact CG1-CD2 3.76Å; V297-F301 HydrophobicContact CG1-CE2 3.48Å; V297-F301 VanDerWaalsContact CG1-CE2 3.48Å; V297-F301 WeakPolarHBondContact O-CD2 3.32Å; V297-F301 PolarHBondContact O-N 2.85Å; V297-F301 VanDerWaalsContact O-N 3.08Å
298	V	85.7	Confident	79.9	Confident	75 Å²	75	93.6 Å²	93.6	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177	173.5	0	0	0	0	111.3	I294 P295 F300 F301 V302	I294-V298 HydrophobicContact CG2-CG2 4.25Å; I294-V298 VanDerWaalsContact O-CG2 3.28Å; I294-V298 WeakPolarHBondContact O-CG2 3.4Å; I294-V298 PolarHBondContact O-N 2.92Å; P295-V298 PolarHBondContact O-N 2.79Å; V298-F300 VanDerWaalsContact C-N 3.33Å; V298-F300 PolarHBondContact O-N 3.25Å; V298-F301 PolarHBondContact O-N 2.91Å; V298-V302 HydrophobicContact CG1-CG2 4.44Å; V298-V302 WeakPolarHBondContact O-CG2 3.15Å; V298-V302 PolarHBondContact O-N 2.82Å
299	S	83.2	Confident	80.9	Confident	42 Å²	42	91 Å²	91	29%	0.294	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-42.4	176.4	-176.5	0	0	0	0	111.9	P295 L296 V297 F301 V302 L303	P295-S299 VanDerWaalsContact O-CB 3.31Å; P295-S299 WeakPolarHBondContact O-CB 3.28Å; P295-S299 PolarHBondContact O-N 3.41Å; L296-S299 PolarHBondContact O-N 3.16Å; V297-S299 PolarHBondContact O-N 2.81Å; S299-F301 PolarHBondContact O-N 3.4Å; S299-V302 PolarHBondContact O-N 2.83Å; S299-L303 WeakPolarHBondContact O-CG 3.46Å; S299-L303 PolarHBondContact O-N 2.78Å
300	F	84.4	Confident	81.9	Confident	130 Å²	130	92.3 Å²	92.3	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-60.8	-44.5	175.8	-177.8	-99.2	0	0	0	112.4	L296 V297 V298 L303 C304	L296-F300 PolarHBondContact O-N 2.83Å; V297-F300 WeakPolarHBondContact O-CB 3.36Å; V297-F300 PolarHBondContact O-N 2.85Å; V298-F300 VanDerWaalsContact C-N 3.33Å; V298-F300 PolarHBondContact O-N 3.25Å; F300-L303 PolarHBondContact O-N 2.89Å; F300-C304 PolarHBondContact O-N 3.44Å; F300-C304 PolarHBondContact O-SG 2.99Å; F300-C304 VanDerWaalsContact O-SG 3.34Å
301	F	86.6	Confident	82.2	Confident	123 Å²	123	97.4 Å²	97.4	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-65.7	-40.4	177.3	-79.3	-68.6	0	0	0	112.9	V297 V298 S299 L303 C304 I305	V297-F301 HydrophobicContact CG1-CD2 3.76Å; V297-F301 HydrophobicContact CG1-CE2 3.48Å; V297-F301 VanDerWaalsContact CG1-CE2 3.48Å; V297-F301 WeakPolarHBondContact O-CD2 3.32Å; V297-F301 PolarHBondContact O-N 2.85Å; V297-F301 VanDerWaalsContact O-N 3.08Å; V298-F301 PolarHBondContact O-N 2.91Å; S299-F301 PolarHBondContact O-N 3.4Å; F301-L303 VanDerWaalsContact C-N 3.33Å; F301-L303 PolarHBondContact O-N 2.82Å; F301-C304 PolarHBondContact O-N 2.77Å; F301-I305 VanDerWaalsContact O-CG1 3.27Å; F301-I305 WeakPolarHBondContact O-CG1 3.44Å; F301-I305 PolarHBondContact O-N 2.91Å
302	V	87.2	Confident	82.5	Confident	95 Å²	95	97.6 Å²	97.6	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.7	173.4	0	0	0	0	111.1	V298 S299 I305 G306	V298-V302 HydrophobicContact CG1-CG2 4.44Å; V298-V302 WeakPolarHBondContact O-CG2 3.15Å; V298-V302 PolarHBondContact O-N 2.82Å; S299-V302 PolarHBondContact O-N 2.83Å; V302-I305 PolarHBondContact O-N 2.91Å; V302-G306 PolarHBondContact O-N 3.21Å
303	L	85.7	Confident	82.7	Confident	105 Å²	105	98 Å²	98	55%	0.55	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-44.7	174.9	-74.5	169.2	0	0	0	111.7	S299 F300 F301 G306 C307	S299-L303 WeakPolarHBondContact O-CG 3.46Å; S299-L303 PolarHBondContact O-N 2.78Å; F300-L303 PolarHBondContact O-N 2.89Å; F301-L303 VanDerWaalsContact C-N 3.33Å; F301-L303 PolarHBondContact O-N 2.82Å; L303-G306 PolarHBondContact O-N 2.87Å; L303-C307 WeakPolarHBondContact O-CB 3.34Å; L303-C307 PolarHBondContact O-N 3.44Å; L303-C307 PolarHBondContact O-SG 2.97Å; L303-C307 VanDerWaalsContact O-SG 3.36Å
304	C	85.9	Confident	82.8	Confident	52 Å²	52	103 Å²	103	35%	0.351	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-46.2	176.3	-74.9	0	0	0	0	112.1	F300 F301 C307 V308	F300-C304 PolarHBondContact O-N 3.44Å; F300-C304 PolarHBondContact O-SG 2.99Å; F300-C304 VanDerWaalsContact O-SG 3.34Å; F301-C304 PolarHBondContact O-N 2.77Å; C304-C307 PolarHBondContact O-N 2.91Å; C304-V308 WeakPolarHBondContact O-CG2 3.37Å; C304-V308 PolarHBondContact O-N 2.99Å
305	I	88.1	Confident	82.5	Confident	99 Å²	99	104.6 Å²	104.6	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-43	177.6	-66.7	165.4	0	0	0	110.6	F301 V302 C307 V308 I309	F301-I305 VanDerWaalsContact O-CG1 3.27Å; F301-I305 WeakPolarHBondContact O-CG1 3.44Å; F301-I305 PolarHBondContact O-N 2.91Å; V302-I305 PolarHBondContact O-N 2.91Å; I305-C307 VanDerWaalsContact C-N 3.34Å; I305-C307 PolarHBondContact O-N 3.07Å; I305-V308 PolarHBondContact O-N 2.94Å; I305-I309 HydrophobicContact CG2-CD1 3.71Å; I305-I309 HydrophobicContact CG2-CG1 4.31Å; I305-I309 WeakPolarHBondContact O-CG1 3.49Å; I305-I309 PolarHBondContact O-N 2.79Å
306	G	84.4	Confident	82.2	Confident	37 Å²	37	107 Å²	107	38%	0.381	53%	0.529	S	S	.	.	H	α-helix	trans	-58.1	-44.3	175.1	0	0	0	0	0	112.5	V302 L303 V308 I309 W310	V302-G306 PolarHBondContact O-N 3.21Å; L303-G306 PolarHBondContact O-N 2.87Å; G306-V308 PolarHBondContact O-N 3.11Å; G306-I309 PolarHBondContact O-N 2.88Å; G306-W310 VanDerWaalsContact O-CB 3.32Å; G306-W310 WeakPolarHBondContact O-CB 3.24Å; G306-W310 PolarHBondContact O-N 3.33Å
307	C	81.7	Confident	81.8	Confident	75 Å²	75	109.6 Å²	109.6	51%	0.507	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-39.4	174.9	-75.7	0	0	0	0	112.7	L303 C304 I305 R311	L303-C307 WeakPolarHBondContact O-CB 3.34Å; L303-C307 PolarHBondContact O-N 3.44Å; L303-C307 PolarHBondContact O-SG 2.97Å; L303-C307 VanDerWaalsContact O-SG 3.36Å; C304-C307 PolarHBondContact O-N 2.91Å; I305-C307 VanDerWaalsContact C-N 3.34Å; I305-C307 PolarHBondContact O-N 3.07Å; C307-R311 WeakPolarHBondContact O-CB 3.49Å; C307-R311 WeakPolarHBondContact O-CG 3.47Å; C307-R311 PolarHBondContact O-N 3.09Å
308	V	83	Confident	81.1	Confident	99 Å²	99	113.4 Å²	113.4	60%	0.6	55%	0.547	S	S	*	.	H	α-helix	trans	-67.3	-46.1	177.1	173.3	0	0	0	0	111	C304 I305 G306 R311 W312	C304-V308 WeakPolarHBondContact O-CG2 3.37Å; C304-V308 PolarHBondContact O-N 2.99Å; I305-V308 PolarHBondContact O-N 2.94Å; G306-V308 PolarHBondContact O-N 3.11Å; V308-R311 PolarHBondContact O-N 2.9Å; V308-W312 WeakPolarHBondContact O-CB 3.46Å; V308-W312 PolarHBondContact O-N 2.76Å
309	I	83.8	Confident	80.2	Confident	87 Å²	87	120.4 Å²	120.4	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-63.5	-43.6	178.1	-66.1	169.5	0	0	0	110.5	I305 G306 W312 L313	I305-I309 HydrophobicContact CG2-CD1 3.71Å; I305-I309 HydrophobicContact CG2-CG1 4.31Å; I305-I309 WeakPolarHBondContact O-CG1 3.49Å; I305-I309 PolarHBondContact O-N 2.79Å; G306-I309 PolarHBondContact O-N 2.88Å; I309-W312 PolarHBondContact O-N 2.99Å; I309-L313 HydrophobicContact CG2-CD1 4.01Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CG 3.27Å; I309-L313 PolarHBondContact O-N 3.18Å
310	W	83	Confident	78.9	Confident	188 Å²	188	125 Å²	125	71%	0.712	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-47.4	176.5	-175	4.4	0	0	0	111.2	G306 W312 L313 Y314	G306-W310 VanDerWaalsContact O-CB 3.32Å; G306-W310 WeakPolarHBondContact O-CB 3.24Å; G306-W310 PolarHBondContact O-N 3.33Å; W310-W312 VanDerWaalsContact C-N 3.26Å; W310-W312 PolarHBondContact O-N 3.34Å; W310-L313 PolarHBondContact O-N 3.42Å; W310-Y314 WeakPolarHBondContact O-CB 3.32Å; W310-Y314 PolarHBondContact O-N 2.6Å
311	R	76.9	Confident	77.3	Confident	198 Å²	198	128.4 Å²	128.4	75%	0.747	61%	0.609	S	S	*	*	H	α-helix	trans	-57.1	-41.3	174.1	-83.9	-174	165.3	-163.9	-2.5	111.8	C307 V308 Y314 M315	C307-R311 WeakPolarHBondContact O-CB 3.49Å; C307-R311 WeakPolarHBondContact O-CG 3.47Å; C307-R311 PolarHBondContact O-N 3.09Å; V308-R311 PolarHBondContact O-N 2.9Å; R311-Y314 PolarHBondContact O-N 2.84Å; R311-M315 WeakPolarHBondContact O-CB 3.42Å; R311-M315 WeakPolarHBondContact O-CG 3.47Å; R311-M315 PolarHBondContact O-N 2.82Å
312	W	80	Confident	76.8	Confident	176 Å²	176	128.7 Å²	128.7	67%	0.667	61%	0.612	S	S	*	*	H	α-helix	trans	-65.8	-44.3	179.1	-167.1	65.5	0	0	0	112.5	V308 I309 W310 M315 K316	V308-W312 WeakPolarHBondContact O-CB 3.46Å; V308-W312 PolarHBondContact O-N 2.76Å; I309-W312 PolarHBondContact O-N 2.99Å; W310-W312 VanDerWaalsContact C-N 3.26Å; W310-W312 PolarHBondContact O-N 3.34Å; W312-M315 PolarHBondContact O-N 2.85Å; W312-K316 PolarHBondContact O-N 3.2Å
313	L	79.8	Confident	76.2	Confident	96 Å²	96	130.4 Å²	130.4	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-66	-39.2	175.7	-70.5	174.1	0	0	0	112.4	I309 W310 K316 K317	I309-L313 HydrophobicContact CG2-CD1 4.01Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CG 3.27Å; I309-L313 PolarHBondContact O-N 3.18Å; W310-L313 PolarHBondContact O-N 3.42Å; L313-K316 PolarHBondContact O-N 2.87Å; L313-K317 PolarHBondContact O-N 3.1Å
314	Y	76.2	Confident	75.7	Confident	151 Å²	151	131.8 Å²	131.8	59%	0.592	62%	0.618	S	S	*	*	H	α-helix	trans	-63	-44.1	176.3	-173.1	-100.4	0	0	0	111.4	W310 R311 K316 K317 K318	W310-Y314 WeakPolarHBondContact O-CB 3.32Å; W310-Y314 PolarHBondContact O-N 2.6Å; R311-Y314 PolarHBondContact O-N 2.84Å; Y314-K316 VanDerWaalsContact C-N 3.32Å; Y314-K316 PolarHBondContact O-N 2.88Å; Y314-K317 PolarHBondContact O-N 2.89Å; Y314-K318 PolarHBondContact O-N 2.65Å; Y314-K318 VanDerWaalsContact O-N 3.12Å
315	M	73.9	Confident	75.1	Confident	127 Å²	127	136.5 Å²	136.5	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-63.9	-36.3	174.7	-70.1	-70.5	-81.6	0	0	112.1	R311 W312 K318 R319	R311-M315 WeakPolarHBondContact O-CB 3.42Å; R311-M315 WeakPolarHBondContact O-CG 3.47Å; R311-M315 PolarHBondContact O-N 2.82Å; W312-M315 PolarHBondContact O-N 2.85Å; M315-K318 PolarHBondContact O-N 2.87Å; M315-R319 PolarHBondContact O-N 3.05Å
316	K	75.5	Confident	74.3	Confident	119 Å²	119	138.9 Å²	138.9	52%	0.517	64%	0.642	S	S	.	*	H	α-helix	trans	-67.9	-38.9	176.4	-164.7	173.2	-178.1	178.2	0	112.2	W312 L313 Y314 R319	W312-K316 PolarHBondContact O-N 3.2Å; L313-K316 PolarHBondContact O-N 2.87Å; Y314-K316 VanDerWaalsContact C-N 3.32Å; Y314-K316 PolarHBondContact O-N 2.88Å; K316-R319 PolarHBondContact O-N 2.98Å
317	K	70.8	Confident	73.6	Confident	157 Å²	157	145.7 Å²	145.7	68%	0.683	66%	0.659	S	S	*	*	H	α-helix	trans	-66.7	-35.9	176	-168.7	172.3	-180	179.1	0	112.3	L313 Y314 R319 N320	L313-K317 PolarHBondContact O-N 3.1Å; Y314-K317 PolarHBondContact O-N 2.89Å; K317-R319 VanDerWaalsContact C-N 3.31Å; K317-R319 PolarHBondContact O-N 2.93Å; K317-N320 PolarHBondContact O-N 3.3Å
318	K	67.3	Low	73.1	Confident	151 Å²	151	150.7 Å²	150.7	66%	0.657	67%	0.67	S	S	*	*	H	α-helix	trans	-70.8	-21.7	177.1	-164.5	176.1	179.8	-177.8	0	113.8	Y314 M315	Y314-K318 PolarHBondContact O-N 2.65Å; Y314-K318 VanDerWaalsContact O-N 3.12Å; M315-K318 PolarHBondContact O-N 2.87Å
319	R	65.9	Low	72.3	Confident	222 Å²	222	154.7 Å²	154.7	84%	0.838	68%	0.675	S	S	*	*	H	α-helix	trans	-83.9	-15.9	175.4	-97.7	-178.5	159.7	172	-5.4	114.3	M315 K316 K317	M315-R319 PolarHBondContact O-N 3.05Å; K316-R319 PolarHBondContact O-N 2.98Å; K317-R319 VanDerWaalsContact C-N 3.31Å; K317-R319 PolarHBondContact O-N 2.93Å
320	N	57.1	Low	71.3	Confident	139 Å²	139	160.3 Å²	160.3	74%	0.743	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	18.9	-179.7	-73.5	-4.2	0	0	0	112.6	K317	K317-N320 PolarHBondContact O-N 3.3Å
321	L	49.8	Very low	70.3	Confident	200 Å²	200	157.8 Å²	157.8	100%	1.047	69%	0.693	S	S	*	*			trans	-126.2	0	175.9	-119.6	144	0	0	0	107.7

Retrieved 321 of 321 residues in 354.5 ms (Link to these results)

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