A0A077ZG66_TRITR Loading...

ADP-ribose pyrophosphatase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZG66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.7	Very low	32.4	Very low	246 Å²	246	152.1 Å²	152.1	100%	1.212	76%	0.756	S	S	*	*				0	103.7	0	-75.3	178.3	-117.2	0	0	109.5	K3	M1-K3 PolarHBondContact O-N 3.45Å
2	K	28.9	Very low	32.8	Very low	210 Å²	210	145.6 Å²	145.6	91%	0.913	74%	0.744	S	S	*	*			trans	-77.5	109.3	178.2	-78.6	174.8	173.8	175.6	0	109.4
3	K	29.8	Very low	34.2	Very low	178 Å²	178	138.2 Å²	138.2	77%	0.774	71%	0.713	S	S	*	*			trans	-92	104.5	162.7	-87.6	-175.8	176.7	178.6	0	108.4	M1 Y5	M1-K3 PolarHBondContact O-N 3.45Å; K3-Y5 HydrophobicContact CB-CE2 4.39Å; K3-Y5 PolarHBondContact O-N 3.18Å
4	L	29.4	Very low	35.1	Very low	163 Å²	163	136 Å²	136	85%	0.853	69%	0.692	S	S	*	*			trans	-61.4	110.1	165.4	-79.6	149.2	0	0	0	108.3	T6	L4-T6 PolarHBondContact O-N 3.3Å
5	Y	31.4	Very low	36	Very low	195 Å²	195	132.4 Å²	132.4	77%	0.765	67%	0.672	S	S	*	*			trans	-85.3	100.5	165.6	-78.8	-87.8	0	0	0	107.8	K3 T7	K3-Y5 HydrophobicContact CB-CE2 4.39Å; K3-Y5 PolarHBondContact O-N 3.18Å; Y5-T7 PolarHBondContact O-N 3.17Å; Y5-T7 VanDerWaalsContact O-N 3.17Å
6	T	30.2	Very low	36.5	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	66%	0.664	S	S	*	*			trans	-65.5	109.4	168.4	47.9	0	0	0	0	109.2	L4 N8	L4-T6 PolarHBondContact O-N 3.3Å; T6-N8 PolarHBondContact O-N 2.94Å; T6-N8 VanDerWaalsContact O-N 3.11Å
7	T	30.5	Very low	37.2	Very low	100 Å²	100	124.8 Å²	124.8	61%	0.613	64%	0.635	S	S	*	*			trans	-69.5	94.1	168.7	42.4	0	0	0	0	109.9	Y5	Y5-T7 PolarHBondContact O-N 3.17Å; Y5-T7 VanDerWaalsContact O-N 3.17Å
8	N	30	Very low	37.8	Very low	150 Å²	150	124.6 Å²	124.6	80%	0.802	63%	0.626	S	S	*	*			trans	-122.7	77.5	159.1	-88.5	-25.1	0	0	0	107.9	T6	T6-N8 PolarHBondContact O-N 2.94Å; T6-N8 VanDerWaalsContact O-N 3.11Å
9	L	35	Very low	38.2	Very low	92 Å²	92	123.1 Å²	123.1	48%	0.482	62%	0.619	S	S	.	*			trans	-116	41.7	177.6	-87.1	163.8	0	0	0	111.7	F173	L9-F173 HydrophobicContact CD1-CE1 4.47Å
10	F	40	Very low	38.5	Very low	123 Å²	123	121.3 Å²	121.3	54%	0.539	62%	0.615	S	S	.	*	S	Bend	trans	-140	116.1	146.6	-81.8	-85.3	0	0	0	105.8	A12	F10-A12 PolarHBondContact O-N 2.71Å
11	P	39.1	Very low	38.9	Very low	92 Å²	92	116.4 Å²	116.4	60%	0.597	59%	0.59	S	S	*	*			trans	-61.1	132.7	173.3	26.8	-30.5	0	0	0	106.6	S13 Y14	P11-S13 WeakPolarHBondContact CB-OG 3.11Å; P11-S13 WeakPolarHBondContact CG-OG 3.21Å; P11-S13 PolarHBondContact O-N 3.3Å; P11-Y14 PolarHBondContact O-N 2.98Å
12	A	36.1	Very low	39.7	Very low	74 Å²	74	109.8 Å²	109.8	61%	0.612	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46	-16.7	173.1	0	0	0	0	0	113.2	F10 Y14 L16	F10-A12 PolarHBondContact O-N 2.71Å; A12-Y14 PolarHBondContact O-N 3.37Å; A12-L16 HydrophobicContact CB-CD1 4.32Å; A12-L16 VanDerWaalsContact O-CB 3.27Å; A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 WeakPolarHBondContact O-CD1 3.32Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.43Å
13	S	52.2	Low	40.4	Very low	49 Å²	49	103.5 Å²	103.5	34%	0.343	54%	0.538	S	S	.	.	H	α-helix	trans	-57.5	-36.8	172.7	67.9	0	0	0	0	115	P11 V17	P11-S13 WeakPolarHBondContact CB-OG 3.11Å; P11-S13 WeakPolarHBondContact CG-OG 3.21Å; P11-S13 PolarHBondContact O-N 3.3Å; S13-V17 WeakPolarHBondContact O-CB 3.35Å; S13-V17 WeakPolarHBondContact O-CG2 3.3Å; S13-V17 PolarHBondContact O-N 3.24Å
14	Y	46.2	Very low	41.1	Very low	108 Å²	108	99.9 Å²	99.9	42%	0.424	52%	0.52	S	S	.	.	H	α-helix	trans	-71	-43.8	-178.5	-176.6	-98.2	0	0	0	112.2	P11 A12 V17 R18	P11-Y14 PolarHBondContact O-N 2.98Å; A12-Y14 PolarHBondContact O-N 3.37Å; Y14-V17 PolarHBondContact O-N 3.26Å; Y14-R18 WeakPolarHBondContact O-CB 3.17Å; Y14-R18 PolarHBondContact O-N 3.35Å
15	E	49	Very low	41.7	Very low	82 Å²	82	94.2 Å²	94.2	38%	0.383	49%	0.491	S	S	.	.	H	α-helix	trans	-73.5	-34.7	176.8	-80.3	-59.9	161.8	0	0	112.4	V17 R18 L19	E15-V17 PolarHBondContact O-N 3.17Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.11Å; E15-R18 VanDerWaalsContact O-N 3.17Å; E15-R18 IonicContact OE1-CZ 3.61Å; E15-R18 IonicContact OE1-NE 3.73Å; E15-R18 IonicContact OE1-NH1 3.89Å; E15-R18 PolarHBondContact OE1-NH1 2.85Å; E15-R18 VanDerWaalsContact OE2-CD 3.3Å; E15-R18 WeakPolarHBondContact OE2-CD 3.21Å; E15-R18 IonicContact OE2-CZ 3.54Å; E15-R18 IonicContact OE2-NE 3.11Å; E15-R18 PolarHBondContact OE2-NE 2.77Å; E15-R18 VanDerWaalsContact OE2-NE 3.11Å; E15-R18 IonicContact OE2-NH1 3.47Å; E15-L19 WeakPolarHBondContact O-CB 3.48Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.49Å; E15-L19 PolarHBondContact O-N 3.03Å
16	L	43.3	Very low	42.6	Very low	106 Å²	106	88 Å²	88	56%	0.555	48%	0.48	S	S	*	.	H	α-helix	trans	-61.5	-43.7	170.1	-84.2	162.2	0	0	0	111.6	A12 R18 L19 T20	A12-L16 HydrophobicContact CB-CD1 4.32Å; A12-L16 VanDerWaalsContact O-CB 3.27Å; A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 WeakPolarHBondContact O-CD1 3.32Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.43Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-T20 WeakPolarHBondContact O-CB 3.11Å; L16-T20 PolarHBondContact O-N 2.88Å; L16-T20 PolarHBondContact O-OG1 3.11Å
17	V	48.1	Very low	43.4	Very low	29 Å²	29	83.2 Å²	83.2	18%	0.176	45%	0.451	C	S	.	.	H	α-helix	trans	-63.9	-37.2	173.4	169.8	0	0	0	0	110.8	S13 Y14 E15 F21 C61	S13-V17 WeakPolarHBondContact O-CB 3.35Å; S13-V17 WeakPolarHBondContact O-CG2 3.3Å; S13-V17 PolarHBondContact O-N 3.24Å; Y14-V17 PolarHBondContact O-N 3.26Å; E15-V17 PolarHBondContact O-N 3.17Å; V17-F21 WeakPolarHBondContact O-CB 3.44Å; V17-F21 PolarHBondContact O-N 2.93Å; V17-C61 HydrophobicContact CG2-CB 3.82Å
18	R	49.5	Very low	44.5	Very low	121 Å²	121	83.4 Å²	83.4	46%	0.457	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-44.6	175.7	-161.7	-177.4	104.1	165.3	11	111.9	Y14 E15 L16 Q22	Y14-R18 WeakPolarHBondContact O-CB 3.17Å; Y14-R18 PolarHBondContact O-N 3.35Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.11Å; E15-R18 VanDerWaalsContact O-N 3.17Å; E15-R18 IonicContact OE1-CZ 3.61Å; E15-R18 IonicContact OE1-NE 3.73Å; E15-R18 IonicContact OE1-NH1 3.89Å; E15-R18 PolarHBondContact OE1-NH1 2.85Å; E15-R18 VanDerWaalsContact OE2-CD 3.3Å; E15-R18 WeakPolarHBondContact OE2-CD 3.21Å; E15-R18 IonicContact OE2-CZ 3.54Å; E15-R18 IonicContact OE2-NE 3.11Å; E15-R18 PolarHBondContact OE2-NE 2.77Å; E15-R18 VanDerWaalsContact OE2-NE 3.11Å; E15-R18 IonicContact OE2-NH1 3.47Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 3.39Å; R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 3.2Å
19	L	45	Very low	45.5	Very low	97 Å²	97	80.5 Å²	80.5	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-73.9	-50.1	-176.5	-71.5	171.1	0	0	0	113.1	E15 L16 F21 Q22 S23	E15-L19 WeakPolarHBondContact O-CB 3.48Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.49Å; E15-L19 PolarHBondContact O-N 3.03Å; L16-L19 PolarHBondContact O-N 3.22Å; L19-F21 PolarHBondContact O-N 2.91Å; L19-Q22 PolarHBondContact O-N 3.48Å; L19-S23 PolarHBondContact O-N 2.91Å
20	T	44.7	Very low	45.9	Very low	87 Å²	87	77.1 Å²	77.1	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-58.4	-20.6	175	42.6	0	0	0	0	112.7	L16 S23 Y24	L16-T20 WeakPolarHBondContact O-CB 3.11Å; L16-T20 PolarHBondContact O-N 2.88Å; L16-T20 PolarHBondContact O-OG1 3.11Å; T20-S23 PolarHBondContact O-OG 2.85Å; T20-Y24 PolarHBondContact O-N 3.07Å
21	F	46.5	Very low	46.5	Very low	19 Å²	19	78.1 Å²	78.1	8%	0.083	43%	0.427	C	S	.	.	H	α-helix	trans	-99.8	-25.2	-176.5	-170.3	-135.3	0	0	0	113.9	V17 L19 L25 W56 L120 W211	V17-F21 WeakPolarHBondContact O-CB 3.44Å; V17-F21 PolarHBondContact O-N 2.93Å; L19-F21 PolarHBondContact O-N 2.91Å; F21-L25 WeakPolarHBondContact O-CB 3.32Å; F21-L25 WeakPolarHBondContact O-CG 3.42Å; F21-L25 PolarHBondContact O-N 2.87Å; F21-W56 HydrophobicContact CE2-CZ2 4.22Å; F21-L120 HydrophobicContact CD1-CD1 4.37Å; F21-L120 HydrophobicContact CD2-CD1 4.19Å; F21-L120 HydrophobicContact CE1-CD1 3.57Å; F21-L120 HydrophobicContact CE2-CD1 3.49Å; F21-L120 VanDerWaalsContact CE2-CD1 3.49Å; F21-L120 HydrophobicContact CZ-CD1 3.07Å; F21-L120 HydrophobicContact CZ-CG 4.42Å; F21-W211 AromaticContact CE1-CD1 3.78Å; F21-W211 AromaticContact CE1-CE2 3.64Å; F21-W211 AromaticContact CE1-CZ2 3.92Å; F21-W211 HydrophobicContact CE1-CZ2 3.92Å; F21-W211 AromaticContact CE1-NE1 2.99Å; F21-W211 AromaticContact CZ-CD1 3.44Å; F21-W211 VanDerWaalsContact CZ-CD1 3.44Å; F21-W211 AromaticContact CZ-CE2 4Å; F21-W211 HydrophobicContact CZ-CG 4.49Å; F21-W211 AromaticContact CZ-NE1 3.17Å
22	Q	48.3	Very low	46.9	Very low	107 Å²	107	77.3 Å²	77.3	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-38.5	162.2	-78.6	-179.9	-18.2	0	0	110.6	R18 L19 A26	R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 3.2Å; L19-Q22 PolarHBondContact O-N 3.48Å; Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 3.45Å; Q22-A26 VanDerWaalsContact O-N 3.1Å
23	S	44.1	Very low	47.1	Very low	77 Å²	77	75.7 Å²	75.7	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-70.6	-43.7	175.1	64.5	0	0	0	0	112.8	L19 T20 L25 A26 S27	L19-S23 PolarHBondContact O-N 2.91Å; T20-S23 PolarHBondContact O-OG 2.85Å; S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.97Å; S23-A26 PolarHBondContact O-N 3.09Å; S23-S27 PolarHBondContact O-N 3.06Å; S23-S27 VanDerWaalsContact O-N 3.13Å
24	Y	43.7	Very low	46.8	Very low	103 Å²	103	75.8 Å²	75.8	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-34.9	176.6	-168.1	-99.9	0	0	0	113	T20 S27 W30	T20-Y24 PolarHBondContact O-N 3.07Å; Y24-S27 WeakPolarHBondContact O-CB 3.27Å; Y24-S27 PolarHBondContact O-N 2.8Å; Y24-S27 VanDerWaalsContact O-N 3.13Å; Y24-S27 PolarHBondContact O-OG 3.2Å; Y24-W30 HydrophobicContact CE1-CE3 4.25Å
25	L	43.7	Very low	46.8	Very low	44 Å²	44	73.4 Å²	73.4	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-35.5	172.4	-87.1	176.1	0	0	0	114.8	F21 S23 S27 W30	F21-L25 WeakPolarHBondContact O-CB 3.32Å; F21-L25 WeakPolarHBondContact O-CG 3.42Å; F21-L25 PolarHBondContact O-N 2.87Å; S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.97Å; L25-S27 PolarHBondContact O-N 3.44Å; L25-W30 HydrophobicContact CD2-CD2 4.07Å; L25-W30 HydrophobicContact CD2-CG 4.06Å; L25-W30 HydrophobicContact CD2-CZ2 4.13Å
26	A	49.8	Very low	46.6	Very low	65 Å²	65	78.7 Å²	78.7	54%	0.537	42%	0.416	S	S	.	.	H	α-helix	trans	-74.3	-11.7	174.5	0	0	0	0	0	111.3	Q22 S23	Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 3.45Å; Q22-A26 VanDerWaalsContact O-N 3.1Å; S23-A26 PolarHBondContact O-N 3.09Å
27	S	47.8	Very low	46.9	Very low	23 Å²	23	75.6 Å²	75.6	16%	0.161	41%	0.405	C	S	.	.	S	Bend	trans	-59.4	137.2	179.7	79	0	0	0	0	111	S23 Y24 L25 V29 W30 K31	S23-S27 PolarHBondContact O-N 3.06Å; S23-S27 VanDerWaalsContact O-N 3.13Å; Y24-S27 WeakPolarHBondContact O-CB 3.27Å; Y24-S27 PolarHBondContact O-N 2.8Å; Y24-S27 VanDerWaalsContact O-N 3.13Å; Y24-S27 PolarHBondContact O-OG 3.2Å; L25-S27 PolarHBondContact O-N 3.44Å; S27-V29 PolarHBondContact O-N 3.48Å; S27-W30 PolarHBondContact O-N 3Å; S27-W30 VanDerWaalsContact O-N 3.15Å; S27-W30 PolarHBondContact OG-N 3.29Å; S27-W30 VanDerWaalsContact OG-N 3.15Å; S27-K31 PolarHBondContact O-N 3.29Å
28	P	51.9	Low	46.8	Very low	103 Å²	103	77 Å²	77	67%	0.669	42%	0.421	S	S	*	.	H	α-helix	trans	-53.9	-34	171.9	-26.7	34.6	0	0	0	112.4	W30 K31 V32	P28-W30 PolarHBondContact O-N 2.96Å; P28-K31 PolarHBondContact O-N 3.26Å; P28-V32 WeakPolarHBondContact O-CG2 3.34Å; P28-V32 PolarHBondContact O-N 3.46Å
29	V	52.8	Low	46.8	Very low	89 Å²	89	80.5 Å²	80.5	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-58.6	-47.6	177.9	-177.4	0	0	0	0	111.2	S27 K31 V32 C33	S27-V29 PolarHBondContact O-N 3.48Å; V29-K31 PolarHBondContact O-N 3.25Å; V29-V32 PolarHBondContact O-N 3.23Å; V29-C33 PolarHBondContact O-N 3.26Å; V29-C33 PolarHBondContact O-SG 2.97Å; V29-C33 VanDerWaalsContact O-SG 3.42Å
30	W	43	Very low	47	Very low	22 Å²	22	79.8 Å²	79.8	8%	0.083	44%	0.437	C	S	.	.	H	α-helix	trans	-62.6	-43.1	179.1	179.3	-101.6	0	0	0	112.5	Y24 L25 S27 P28 V32 C33 N34 Y115 R210	Y24-W30 HydrophobicContact CE1-CE3 4.25Å; L25-W30 HydrophobicContact CD2-CD2 4.07Å; L25-W30 HydrophobicContact CD2-CG 4.06Å; L25-W30 HydrophobicContact CD2-CZ2 4.13Å; S27-W30 PolarHBondContact O-N 3Å; S27-W30 VanDerWaalsContact O-N 3.15Å; S27-W30 PolarHBondContact OG-N 3.29Å; S27-W30 VanDerWaalsContact OG-N 3.15Å; P28-W30 PolarHBondContact O-N 2.96Å; W30-V32 PolarHBondContact O-N 3.32Å; W30-C33 PolarHBondContact O-N 2.92Å; W30-N34 VanDerWaalsContact O-CB 3.29Å; W30-N34 WeakPolarHBondContact O-CB 3.47Å; W30-N34 PolarHBondContact O-N 3.47Å; W30-Y115 AromaticContact CE3-CZ 3.97Å; W30-Y115 VanDerWaalsContact CE3-OH 3.31Å; W30-Y115 HydrophobicContact CH2-CE2 4.11Å; W30-Y115 HydrophobicContact CZ3-CE1 4.3Å; W30-Y115 AromaticContact CZ3-CE2 3.82Å; W30-Y115 HydrophobicContact CZ3-CE2 3.82Å; W30-Y115 AromaticContact CZ3-CZ 3.62Å; W30-Y115 WeakPolarHBondContact CZ3-OH 3.46Å; W30-R210 HydrophobicContact CZ2-CB 4.47Å
31	K	51	Low	47.6	Very low	144 Å²	144	80.8 Å²	80.8	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-61.9	-43.2	178.5	-72	-178.4	-178.8	173.9	0	111.7	S27 P28 V29 S35	S27-K31 PolarHBondContact O-N 3.29Å; P28-K31 PolarHBondContact O-N 3.26Å; V29-K31 PolarHBondContact O-N 3.25Å; K31-S35 WeakPolarHBondContact O-CB 3.36Å; K31-S35 PolarHBondContact O-N 3.28Å; K31-S35 VanDerWaalsContact O-N 3.09Å; K31-S35 PolarHBondContact O-OG 3.12Å
32	V	48	Very low	48.4	Very low	75 Å²	75	84.7 Å²	84.7	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-48.5	179.1	172.7	0	0	0	0	110.9	P28 V29 W30 S35 R36	P28-V32 WeakPolarHBondContact O-CG2 3.34Å; P28-V32 PolarHBondContact O-N 3.46Å; V29-V32 PolarHBondContact O-N 3.23Å; W30-V32 PolarHBondContact O-N 3.32Å; V32-S35 PolarHBondContact O-N 3.12Å; V32-S35 PolarHBondContact O-OG 3.4Å; V32-R36 PolarHBondContact O-N 3.44Å
33	C	41.6	Very low	49.8	Very low	39 Å²	39	81.7 Å²	81.7	26%	0.264	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-39.9	-177.2	-67.9	0	0	0	0	112.6	V29 W30 S35 R36 A37 Y115	V29-C33 PolarHBondContact O-N 3.26Å; V29-C33 PolarHBondContact O-SG 2.97Å; V29-C33 VanDerWaalsContact O-SG 3.42Å; W30-C33 PolarHBondContact O-N 2.92Å; C33-S35 VanDerWaalsContact C-N 3.34Å; C33-S35 PolarHBondContact O-N 2.98Å; C33-R36 PolarHBondContact O-N 3.49Å; C33-A37 PolarHBondContact O-N 3.06Å; C33-Y115 HydrophobicContact CB-CE1 4.27Å; C33-Y115 WeakPolarHBondContact CB-OH 3.17Å
34	N	45.2	Very low	51.7	Low	51 Å²	51	79.3 Å²	79.3	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-69.6	-30.9	178	-151.3	-4.7	0	0	0	112.4	W30 R36 A37 A38	W30-N34 VanDerWaalsContact O-CB 3.29Å; W30-N34 WeakPolarHBondContact O-CB 3.47Å; W30-N34 PolarHBondContact O-N 3.47Å; N34-R36 VanDerWaalsContact C-N 3.25Å; N34-R36 PolarHBondContact O-N 3.02Å; N34-A37 PolarHBondContact O-N 2.8Å; N34-A38 PolarHBondContact O-N 2.78Å
35	S	45.6	Very low	53.3	Low	59 Å²	59	81.1 Å²	81.1	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-66.9	-24.3	174.6	77.2	0	0	0	0	113.8	K31 V32 C33	K31-S35 WeakPolarHBondContact O-CB 3.36Å; K31-S35 PolarHBondContact O-N 3.28Å; K31-S35 VanDerWaalsContact O-N 3.09Å; K31-S35 PolarHBondContact O-OG 3.12Å; V32-S35 PolarHBondContact O-N 3.12Å; V32-S35 PolarHBondContact O-OG 3.4Å; C33-S35 VanDerWaalsContact C-N 3.34Å; C33-S35 PolarHBondContact O-N 2.98Å
36	R	46.1	Very low	54.6	Low	192 Å²	192	83.6 Å²	83.6	73%	0.725	45%	0.454	S	S	*	.	H	α-helix	trans	-81.6	-37	176.6	-70.4	-177.4	-177.1	-175.3	0.5	112	V32 C33 N34 A38 R39	V32-R36 PolarHBondContact O-N 3.44Å; C33-R36 PolarHBondContact O-N 3.49Å; N34-R36 VanDerWaalsContact C-N 3.25Å; N34-R36 PolarHBondContact O-N 3.02Å; R36-A38 VanDerWaalsContact C-N 3.28Å; R36-A38 PolarHBondContact O-N 2.77Å; R36-R39 PolarHBondContact O-N 2.78Å
37	A	48.1	Very low	55.4	Low	41 Å²	41	81.6 Å²	81.6	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-67.5	-27.3	177.7	0	0	0	0	0	113.2	C33 N34 R39 T113	C33-A37 PolarHBondContact O-N 3.06Å; N34-A37 PolarHBondContact O-N 2.8Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 2.83Å; A37-T113 WeakPolarHBondContact CB-O 3.27Å
38	A	47.6	Very low	56.1	Low	60 Å²	60	83.8 Å²	83.8	50%	0.496	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.4	-179	0	0	0	0	0	115.1	N34 R36	N34-A38 PolarHBondContact O-N 2.78Å; R36-A38 VanDerWaalsContact C-N 3.28Å; R36-A38 PolarHBondContact O-N 2.77Å
39	R	48.5	Very low	57	Low	194 Å²	194	89.8 Å²	89.8	73%	0.732	47%	0.466	S	S	*	.	S	Bend	trans	-96.5	105.4	179	-66.3	-174.9	-165.4	-164.5	1.7	110	R36 A37	R36-R39 PolarHBondContact O-N 2.78Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 2.83Å
40	S	49.6	Very low	58	Low	82 Å²	82	90 Å²	90	57%	0.573	47%	0.471	S	S	*	.	S	Bend	trans	69.9	124.1	-172.9	85.6	0	0	0	0	114.8	K42	S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 2.87Å; S40-K42 WeakPolarHBondContact OG-CE 3.44Å
41	L	55.9	Low	60	Low	108 Å²	108	92.4 Å²	92.4	57%	0.565	48%	0.481	S	S	*	.			trans	-64.5	90.8	173	-71.8	158.9	0	0	0	108.3	P272	L41-P272 HydrophobicContact CD2-CB 4.08Å; L41-P272 HydrophobicContact CD2-CG 3.75Å
42	K	64.3	Low	61.5	Low	100 Å²	100	91.3 Å²	91.3	44%	0.435	49%	0.486	S	S	.	.			trans	-85	131.1	-178.6	-68.2	-176.5	-176.7	-173	0	109.9	S40 D46 P112	S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 2.87Å; S40-K42 WeakPolarHBondContact OG-CE 3.44Å; K42-D46 HydrophobicContact CB-CB 4.21Å; K42-D46 HydrophobicContact CG-CB 4.34Å; K42-P112 HydrophobicContact CB-CG 3.77Å; K42-P112 WeakPolarHBondContact O-CD 3.49Å
43	T	78	Confident	63.4	Low	45 Å²	45	87.9 Å²	87.9	28%	0.276	47%	0.466	S	S	.	.			trans	-81.6	172	159.6	67.8	0	0	0	0	109.6	D45 D46	T43-D45 PolarHBondContact O-N 2.93Å; T43-D45 PolarHBondContact OG1-N 3.19Å; T43-D46 WeakPolarHBondContact CB-OD2 3.45Å; T43-D46 PolarHBondContact N-OD2 3.06Å; T43-D46 PolarHBondContact O-N 3.3Å; T43-D46 VanDerWaalsContact OG1-CG 3.26Å; T43-D46 PolarHBondContact OG1-N 3.15Å; T43-D46 PolarHBondContact OG1-OD2 3.26Å
44	W	83.3	Confident	65.7	Low	27 Å²	27	89.7 Å²	89.7	10%	0.102	48%	0.476	C	S	.	.	S	Bend	trans	-64.5	-24.1	172.2	-73.5	105.8	0	0	0	112.8	D46 T47 Y51 L107 N108 P112 D214	W44-D46 VanDerWaalsContact C-N 3.34Å; W44-T47 HydrophobicContact CE3-CG2 4.26Å; W44-T47 PolarHBondContact O-N 3.21Å; W44-T47 PolarHBondContact O-OG1 3.02Å; W44-Y51 HydrophobicContact CH2-CE1 4.14Å; W44-Y51 AromaticContact CZ3-CD1 3.98Å; W44-Y51 HydrophobicContact CZ3-CD1 3.98Å; W44-Y51 AromaticContact CZ3-CE1 3.83Å; W44-Y51 HydrophobicContact CZ3-CE1 3.83Å; W44-L107 HydrophobicContact CD2-CB 4.26Å; W44-L107 HydrophobicContact CD2-CD1 3.88Å; W44-L107 HydrophobicContact CD2-CG 4.48Å; W44-L107 HydrophobicContact CE3-CD1 4.12Å; W44-L107 HydrophobicContact CG-CD1 4.19Å; W44-L107 HydrophobicContact CH2-CD2 3.87Å; W44-L107 HydrophobicContact CZ2-CB 3.88Å; W44-L107 HydrophobicContact CZ2-CD2 3.93Å; W44-L107 HydrophobicContact CZ2-CG 4.34Å; W44-L107 HydrophobicContact CZ3-CD2 4.16Å; W44-N108 PolarHBondContact NE1-O 2.77Å; W44-P112 HydrophobicContact CH2-CB 4.29Å; W44-P112 HydrophobicContact CZ3-CB 4.37Å; W44-D214 HydrophobicContact CH2-CB 3.76Å; W44-D214 HydrophobicContact CZ2-CB 4.15Å
45	D	77.8	Confident	68	Low	140 Å²	140	92.2 Å²	92.2	75%	0.749	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.5	178	-61	-29.4	0	0	0	111.7	T43 T47	T43-D45 PolarHBondContact O-N 2.93Å; T43-D45 PolarHBondContact OG1-N 3.19Å; D45-T47 PolarHBondContact O-N 3.46Å
46	D	70.8	Confident	70.2	Confident	96 Å²	96	90.7 Å²	90.7	51%	0.513	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.3	175.1	-55.5	-49.9	0	0	0	113.5	K42 T43 W44	K42-D46 HydrophobicContact CB-CB 4.21Å; K42-D46 HydrophobicContact CG-CB 4.34Å; T43-D46 WeakPolarHBondContact CB-OD2 3.45Å; T43-D46 PolarHBondContact N-OD2 3.06Å; T43-D46 PolarHBondContact O-N 3.3Å; T43-D46 VanDerWaalsContact OG1-CG 3.26Å; T43-D46 PolarHBondContact OG1-N 3.15Å; T43-D46 PolarHBondContact OG1-OD2 3.26Å; W44-D46 VanDerWaalsContact C-N 3.34Å
47	T	65.9	Low	72.3	Confident	23 Å²	23	86 Å²	86	14%	0.141	47%	0.469	C	S	.	.	S	Bend	trans	-81.8	135.3	178.7	62.6	0	0	0	0	110.7	W44 D45 Y51 P112	W44-T47 HydrophobicContact CE3-CG2 4.26Å; W44-T47 PolarHBondContact O-N 3.21Å; W44-T47 PolarHBondContact O-OG1 3.02Å; D45-T47 PolarHBondContact O-N 3.46Å; T47-Y51 HydrophobicContact CG2-CD1 4.13Å; T47-Y51 HydrophobicContact CG2-CG 4.1Å; T47-P112 HydrophobicContact CG2-CB 4.25Å; T47-P112 HydrophobicContact CG2-CG 3.71Å
48	S	63.7	Low	74.3	Confident	69 Å²	69	86.2 Å²	86.2	48%	0.483	47%	0.467	S	S	.	.			trans	-57.4	149.2	167.2	64.4	0	0	0	0	108.8	S50 Y51	S48-S50 WeakPolarHBondContact CB-OG 3.49Å; S48-S50 PolarHBondContact O-N 3.11Å; S48-S50 PolarHBondContact OG-OG 2.92Å; S48-Y51 WeakPolarHBondContact O-CB 3.38Å; S48-Y51 PolarHBondContact O-N 3.18Å; S48-Y51 PolarHBondContact OG-N 3.5Å
49	K	69.8	Low	76.2	Confident	229 Å²	229	91.6 Å²	91.6	100%	0.996	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-20.7	173.4	-66.8	-176.6	179.4	179.3	0	112.8
50	S	75.3	Confident	78.2	Confident	94 Å²	94	84.9 Å²	84.9	66%	0.657	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.2	178.6	58.4	0	0	0	0	115.6	S48 V52	S48-S50 WeakPolarHBondContact CB-OG 3.49Å; S48-S50 PolarHBondContact O-N 3.11Å; S48-S50 PolarHBondContact OG-OG 2.92Å; S50-V52 PolarHBondContact O-N 2.91Å
51	Y	84.9	Confident	79.9	Confident	72 Å²	72	83.3 Å²	83.3	28%	0.282	45%	0.452	S	S	.	.			trans	-62.4	123.7	-179	170.4	-97.2	0	0	0	111.1	W44 T47 S48 P112 G114 D214	W44-Y51 HydrophobicContact CH2-CE1 4.14Å; W44-Y51 AromaticContact CZ3-CD1 3.98Å; W44-Y51 HydrophobicContact CZ3-CD1 3.98Å; W44-Y51 AromaticContact CZ3-CE1 3.83Å; W44-Y51 HydrophobicContact CZ3-CE1 3.83Å; T47-Y51 HydrophobicContact CG2-CD1 4.13Å; T47-Y51 HydrophobicContact CG2-CG 4.1Å; S48-Y51 WeakPolarHBondContact O-CB 3.38Å; S48-Y51 PolarHBondContact O-N 3.18Å; S48-Y51 PolarHBondContact OG-N 3.5Å; Y51-P112 HydrophobicContact CE1-CB 3.74Å; Y51-P112 HydrophobicContact CE2-CB 4.24Å; Y51-G114 VanDerWaalsContact OH-CA 3.23Å; Y51-G114 WeakPolarHBondContact OH-CA 3.36Å; Y51-G114 PolarHBondContact OH-N 2.8Å; Y51-G114 VanDerWaalsContact OH-N 3.1Å; Y51-D214 WeakPolarHBondContact CE1-OD2 3.13Å; Y51-D214 VanDerWaalsContact CZ-OD2 3.3Å; Y51-D214 PolarHBondContact OH-OD1 3.24Å; Y51-D214 PolarHBondContact OH-OD2 3.13Å
52	V	82.2	Confident	81.5	Confident	122 Å²	122	81.7 Å²	81.7	74%	0.739	44%	0.438	S	S	*	.			trans	-133.1	112.1	172.3	-176.2	0	0	0	0	107.5	S50	S50-V52 PolarHBondContact O-N 2.91Å
53	G	86.8	Confident	82.6	Confident	3 Å²	3	86 Å²	86	3%	0.031	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-60.5	151.4	173.5	0	0	0	0	0	111.4	P55 G114 A116	G53-P55 WeakPolarHBondContact O-CD 3.43Å; G53-G114 CarbonylContact C-O 3.51Å; G53-G114 WeakPolarHBondContact CA-O 3.48Å; G53-A116 WeakPolarHBondContact O-CB 3.45Å
54	T	91.3	Very high	83.3	Confident	76 Å²	76	88.9 Å²	88.9	47%	0.466	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	122.1	175.1	-62.1	0	0	0	0	109.5	W56 G114 Y115 A116	T54-W56 PolarHBondContact O-N 3.46Å; T54-G114 PolarHBondContact N-O 3.02Å; T54-Y115 HydrophobicContact CG2-CD1 4.45Å; T54-Y115 CarbonylContact O-C 3.55Å; T54-Y115 VanDerWaalsContact O-CA 3.28Å; T54-Y115 WeakPolarHBondContact O-CA 3.36Å; T54-A116 PolarHBondContact O-N 2.78Å
55	P	92.4	Very high	83.9	Confident	105 Å²	105	88.5 Å²	88.5	68%	0.682	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	128.3	-179.9	-25.5	34.8	0	0	0	111.8	G53 A116	G53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-A116 CarbonylContact C-O 3.44Å; P55-A116 WeakPolarHBondContact CA-O 3.38Å
56	W	92.2	Very high	84.8	Confident	27 Å²	27	82.1 Å²	82.1	10%	0.102	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	105.6	177.5	-176.4	41.1	0	0	0	110.1	F21 T54 V58 Y115 A116 G119 L120 T213	F21-W56 HydrophobicContact CE2-CZ2 4.22Å; T54-W56 PolarHBondContact O-N 3.46Å; W56-V58 HydrophobicContact CZ2-CG2 4.23Å; W56-Y115 HydrophobicContact CB-CD1 4.34Å; W56-A116 PolarHBondContact N-O 2.94Å; W56-G119 WeakPolarHBondContact O-CA 3.5Å; W56-G119 PolarHBondContact O-N 2.03Å; W56-L120 HydrophobicContact CH2-CD1 4.45Å; W56-L120 HydrophobicContact CH2-CG 4.36Å; W56-L120 HydrophobicContact CZ2-CD1 4.31Å; W56-L120 HydrophobicContact CZ2-CG 4.06Å; W56-T213 HydrophobicContact CE3-CG2 3.63Å; W56-T213 HydrophobicContact CZ3-CG2 3.87Å
57	N	90.3	Very high	86	Confident	93 Å²	93	79.7 Å²	79.7	50%	0.497	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.2	173.4	-63.4	-73	0	0	0	107.5	G117 R118 W124	N57-G117 WeakPolarHBondContact OD1-CA 3.18Å; N57-R118 PolarHBondContact OD1-N 3.43Å; N57-W124 WeakPolarHBondContact OD1-CH2 3.31Å
58	V	89.4	Confident	87.4	Confident	46 Å²	46	81.9 Å²	81.9	28%	0.279	44%	0.439	S	S	.	.			trans	-97.4	147.2	175.3	-173.9	0	0	0	0	108.6	W56 G119 L120	W56-V58 HydrophobicContact CZ2-CG2 4.23Å; V58-G119 PolarHBondContact N-O 3.11Å; V58-G119 VanDerWaalsContact N-O 3.12Å; V58-L120 HydrophobicContact CB-CD2 3.81Å; V58-L120 HydrophobicContact CG1-CD2 3.72Å; V58-L120 HydrophobicContact CG2-CD2 3.78Å; V58-L120 HydrophobicContact CG2-CG 4.09Å
59	E	88.5	Confident	88.8	Confident	172 Å²	172	81.4 Å²	81.4	80%	0.804	43%	0.428	S	S	*	.			trans	-51.9	146.5	169.1	-170.1	177.2	179.6	0	0	110.7	C61	E59-C61 PolarHBondContact O-N 2.98Å; E59-C61 PolarHBondContact O-SG 3.48Å; E59-C61 VanDerWaalsContact O-SG 3.34Å
60	C	89.2	Confident	89.9	Confident	54 Å²	54	76.5 Å²	76.5	37%	0.365	42%	0.418	S	S	.	.			trans	-65.4	107.4	-175.1	-177.1	0	0	0	0	111.6	W62 C65	C60-W62 VanDerWaalsContact C-N 3.31Å; C60-W62 PolarHBondContact SG-O 3.28Å; C60-C65 VanDerWaalsContact CA-SG 3.55Å; C60-C65 HydrophobicContact CB-CB 3.69Å; C60-C65 WeakPolarHBondContact CB-SG 3.4Å; C60-C65 WeakPolarHBondContact SG-CB 3.36Å; C60-C65 PolarHBondContact SG-N 3.37Å; C60-C65 CovalentContact SG-SG 2.03Å; C60-C65 PolarHBondContact SG-SG 2.96Å
61	C	86.8	Confident	90.8	Very high	48 Å²	48	74.5 Å²	74.5	32%	0.324	40%	0.4	S	S	.	.			trans	-88.4	2.7	173.5	-49.8	0	0	0	0	113.6	V17 E59	V17-C61 HydrophobicContact CG2-CB 3.82Å; E59-C61 PolarHBondContact O-N 2.98Å; E59-C61 PolarHBondContact O-SG 3.48Å; E59-C61 VanDerWaalsContact O-SG 3.34Å
62	W	88.5	Confident	91.3	Very high	74 Å²	74	76.6 Å²	76.6	28%	0.28	42%	0.422	S	S	.	.	S	Bend	trans	-104.8	164.3	-178.5	-53.4	102.7	0	0	0	110.7	C60 E64 L120 P122 F157 W211	C60-W62 VanDerWaalsContact C-N 3.31Å; C60-W62 PolarHBondContact SG-O 3.28Å; W62-E64 PolarHBondContact O-N 3.34Å; W62-E64 VanDerWaalsContact O-N 3.13Å; W62-L120 PolarHBondContact NE1-O 2.62Å; W62-P122 HydrophobicContact CB-CB 4.28Å; W62-P122 HydrophobicContact CG-CB 4.01Å; W62-P122 HydrophobicContact CG-CG 4.47Å; W62-F157 HydrophobicContact CD2-CD2 4.25Å; W62-F157 HydrophobicContact CD2-CE2 4.49Å; W62-F157 AromaticContact CE2-CE2 3.87Å; W62-F157 HydrophobicContact CE3-CD2 4.16Å; W62-F157 AromaticContact CH2-CD2 3.85Å; W62-F157 HydrophobicContact CH2-CD2 3.85Å; W62-F157 AromaticContact CH2-CE2 3.57Å; W62-F157 HydrophobicContact CH2-CE2 3.57Å; W62-F157 AromaticContact CZ2-CD2 3.93Å; W62-F157 HydrophobicContact CZ2-CD2 3.93Å; W62-F157 AromaticContact CZ2-CE2 3.41Å; W62-F157 HydrophobicContact CZ2-CE2 3.41Å; W62-F157 VanDerWaalsContact CZ2-CE2 3.41Å; W62-F157 HydrophobicContact CZ2-CZ 4.49Å; W62-F157 AromaticContact CZ3-CD2 3.96Å; W62-F157 HydrophobicContact CZ3-CD2 3.96Å; W62-F157 HydrophobicContact CZ3-CE2 4.17Å; W62-W211 HydrophobicContact CZ2-CZ3 4.17Å
63	K	88.5	Confident	91.8	Very high	192 Å²	192	79.8 Å²	79.8	84%	0.835	43%	0.426	S	S	*	.	S	Bend	trans	-56	-33.1	177.1	-177.6	175.9	179.2	-176.2	0	112.3
64	E	91.9	Very high	92.3	Very high	104 Å²	104	81 Å²	81	49%	0.486	43%	0.43	S	S	.	.	S	Bend	trans	-152.1	131.1	-178	-166.8	-163.1	121.1	0	0	108.1	W62 R123	W62-E64 PolarHBondContact O-N 3.34Å; W62-E64 VanDerWaalsContact O-N 3.13Å; E64-R123 IonicContact OE1-CZ 3.04Å; E64-R123 IonicContact OE1-NH1 2.71Å; E64-R123 PolarHBondContact OE1-NH1 2.85Å; E64-R123 IonicContact OE1-NH2 3.96Å; E64-R123 PolarHBondContact OE1-NH2 3.43Å; E64-R123 IonicContact OE2-NH2 2.85Å
65	C	95.9	Very high	92.5	Very high	20 Å²	20	82.3 Å²	82.3	14%	0.135	44%	0.443	C	S	.	.			trans	-126.9	159.9	172	-58.8	0	0	0	0	110	C60 P122	C60-C65 VanDerWaalsContact CA-SG 3.55Å; C60-C65 HydrophobicContact CB-CB 3.69Å; C60-C65 WeakPolarHBondContact CB-SG 3.4Å; C60-C65 WeakPolarHBondContact SG-CB 3.36Å; C60-C65 PolarHBondContact SG-N 3.37Å; C60-C65 CovalentContact SG-SG 2.03Å; C60-C65 PolarHBondContact SG-SG 2.96Å; C65-P122 CarbonylContact C-O 3.39Å; C65-P122 WeakPolarHBondContact CA-O 3.25Å; C65-P122 WeakPolarHBondContact CB-O 3.15Å
66	D	97.4	Very high	92.7	Very high	6 Å²	6	78.3 Å²	78.3	3%	0.032	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-64.7	136.8	166.4	-70.8	-15.3	0	0	0	110.4	F74 R87 R118 P122 R123 W124	D66-F74 HydrophobicContact CB-CE2 3.84Å; D66-F74 HydrophobicContact CB-CZ 3.74Å; D66-R87 VanDerWaalsContact CG-NH2 3.35Å; D66-R87 IonicContact OD1-CZ 3.95Å; D66-R87 IonicContact OD1-NH1 3.73Å; D66-R87 IonicContact OD1-NH2 3.75Å; D66-R87 PolarHBondContact OD1-NH2 3.13Å; D66-R87 IonicContact OD2-CZ 3.39Å; D66-R87 IonicContact OD2-NH1 3.73Å; D66-R87 PolarHBondContact OD2-NH1 3.17Å; D66-R87 IonicContact OD2-NH2 2.77Å; D66-R87 PolarHBondContact OD2-NH2 3.49Å; D66-R118 PolarHBondContact O-NE 3.39Å; D66-R118 PolarHBondContact O-NH2 2.78Å; D66-P122 PolarHBondContact N-O 2.84Å; D66-R123 VanDerWaalsContact OD1-CD 3.27Å; D66-R123 WeakPolarHBondContact OD1-CD 3.5Å; D66-R123 IonicContact OD1-CZ 2.86Å; D66-R123 IonicContact OD1-NH1 3.55Å; D66-R123 PolarHBondContact OD1-NH1 3.44Å; D66-R123 VanDerWaalsContact OD1-NH1 3.09Å; D66-R123 VanDerWaalsContact OD2-CA 3.27Å; D66-R123 WeakPolarHBondContact OD2-CA 3.48Å; D66-W124 VanDerWaalsContact CB-CD1 3.49Å; D66-W124 PolarHBondContact OD2-N 3.11Å
67	P	95.5	Very high	93	Very high	45 Å²	45	83.2 Å²	83.2	29%	0.292	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-57.8	165.1	169.2	-23.3	32.7	0	0	0	113.1	D71 F74 W124	P67-D71 HydrophobicContact CB-CB 3.79Å; P67-D71 WeakPolarHBondContact CB-OD2 3.46Å; P67-F74 HydrophobicContact CB-CB 4.02Å; P67-F74 HydrophobicContact CB-CD2 4.41Å; P67-F74 HydrophobicContact CB-CG 4.11Å; P67-F74 HydrophobicContact CG-CB 4.25Å; P67-F74 HydrophobicContact CG-CD2 4.12Å; P67-F74 HydrophobicContact CG-CG 4.28Å; P67-W124 PolarHBondContact O-NE1 3.14Å
68	P	94.2	Very high	93.3	Very high	69 Å²	69	80 Å²	80	45%	0.448	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.2	156.8	166.9	31.1	-35.5	0	0	0	110.9	T70 D71	P68-T70 PolarHBondContact O-N 3.45Å; P68-T70 VanDerWaalsContact O-N 3.09Å; P68-D71 VanDerWaalsContact O-CB 3.29Å; P68-D71 WeakPolarHBondContact O-CB 3.48Å; P68-D71 PolarHBondContact O-N 3.06Å
69	F	93.5	Very high	93.7	Very high	58 Å²	58	79 Å²	79	25%	0.254	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.1	175.7	-73	-76.4	0	0	0	114.7	D71 F74 P76 F78 G104 K105 W124	F69-D71 VanDerWaalsContact C-N 3.25Å; F69-F74 HydrophobicContact CD1-CD1 4.08Å; F69-F74 AromaticContact CD1-CE1 3.93Å; F69-F74 HydrophobicContact CD1-CE1 3.93Å; F69-F74 HydrophobicContact CE1-CD1 4.41Å; F69-F74 AromaticContact CE1-CE1 3.83Å; F69-F74 HydrophobicContact CE1-CE1 3.83Å; F69-F74 HydrophobicContact CG-CE1 4.47Å; F69-F74 HydrophobicContact CZ-CE1 4.29Å; F69-P76 HydrophobicContact CE1-CG 4.12Å; F69-F78 HydrophobicContact CE1-CE2 4.14Å; F69-F78 AromaticContact CE1-CZ 3.9Å; F69-F78 HydrophobicContact CE1-CZ 3.9Å; F69-F78 HydrophobicContact CZ-CE2 4.3Å; F69-F78 AromaticContact CZ-CZ 3.77Å; F69-F78 HydrophobicContact CZ-CZ 3.77Å; F69-G104 WeakPolarHBondContact CE1-O 3.42Å; F69-K105 HydrophobicContact CD2-CD 4.2Å; F69-K105 HydrophobicContact CD2-CG 3.96Å; F69-K105 HydrophobicContact CE1-CG 4.49Å; F69-K105 HydrophobicContact CE2-CB 4.25Å; F69-K105 HydrophobicContact CE2-CD 4.15Å; F69-K105 HydrophobicContact CE2-CG 3.63Å; F69-K105 HydrophobicContact CG-CG 4.5Å; F69-K105 HydrophobicContact CZ-CB 4.3Å; F69-K105 HydrophobicContact CZ-CG 3.93Å; F69-W124 HydrophobicContact CD2-CD2 4.14Å; F69-W124 AromaticContact CD2-CE2 3.77Å; F69-W124 HydrophobicContact CD2-CE3 4.39Å; F69-W124 AromaticContact CD2-CH2 3.99Å; F69-W124 HydrophobicContact CD2-CH2 3.99Å; F69-W124 AromaticContact CD2-CZ2 3.72Å; F69-W124 HydrophobicContact CD2-CZ2 3.72Å; F69-W124 HydrophobicContact CD2-CZ3 4.3Å; F69-W124 AromaticContact CE2-CD2 3.35Å; F69-W124 HydrophobicContact CE2-CD2 3.35Å; F69-W124 AromaticContact CE2-CE2 3.48Å; F69-W124 VanDerWaalsContact CE2-CE2 3.48Å; F69-W124 AromaticContact CE2-CE3 3.52Å; F69-W124 HydrophobicContact CE2-CE3 3.52Å; F69-W124 AromaticContact CE2-CG 3.86Å; F69-W124 HydrophobicContact CE2-CG 3.86Å; F69-W124 AromaticContact CE2-CH2 3.92Å; F69-W124 HydrophobicContact CE2-CH2 3.92Å; F69-W124 AromaticContact CE2-CZ2 3.79Å; F69-W124 HydrophobicContact CE2-CZ2 3.79Å; F69-W124 AromaticContact CE2-CZ3 3.78Å; F69-W124 HydrophobicContact CE2-CZ3 3.78Å; F69-W124 HydrophobicContact CZ-CB 4.32Å; F69-W124 AromaticContact CZ-CD2 3.93Å; F69-W124 HydrophobicContact CZ-CD2 3.93Å; F69-W124 HydrophobicContact CZ-CE3 4.29Å; F69-W124 AromaticContact CZ-CG 3.94Å; F69-W124 HydrophobicContact CZ-CG 3.94Å
70	T	92.8	Very high	94	Very high	127 Å²	127	77.3 Å²	77.3	78%	0.779	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.1	171.9	52.4	0	0	0	0	112.6	P68 P72	P68-T70 PolarHBondContact O-N 3.45Å; P68-T70 VanDerWaalsContact O-N 3.09Å; T70-P72 WeakPolarHBondContact O-CD 3Å
71	D	94.9	Very high	94.3	Very high	52 Å²	52	79.8 Å²	79.8	28%	0.278	41%	0.408	S	S	.	.			trans	-75.6	117.3	174.7	-173.8	-31.4	0	0	0	109.6	P67 P68 F69 F73 F74	P67-D71 HydrophobicContact CB-CB 3.79Å; P67-D71 WeakPolarHBondContact CB-OD2 3.46Å; P68-D71 VanDerWaalsContact O-CB 3.29Å; P68-D71 WeakPolarHBondContact O-CB 3.48Å; P68-D71 PolarHBondContact O-N 3.06Å; F69-D71 VanDerWaalsContact C-N 3.25Å; D71-F73 PolarHBondContact O-N 3.05Å; D71-F73 WeakPolarHBondContact OD1-CB 3.28Å; D71-F73 PolarHBondContact OD1-N 3.26Å; D71-F74 HydrophobicContact CB-CB 3.93Å; D71-F74 WeakPolarHBondContact O-CB 3.4Å; D71-F74 PolarHBondContact O-N 2.76Å
72	P	94.2	Very high	94.8	Very high	115 Å²	115	79.2 Å²	79.2	75%	0.747	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19	-177	28.5	-35.6	0	0	0	113.4	T70 F74	T70-P72 WeakPolarHBondContact O-CD 3Å; P72-F74 VanDerWaalsContact C-N 3.34Å
73	F	94.4	Very high	95.1	Very high	190 Å²	190	79 Å²	79	83%	0.833	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.2	176.5	-57.4	-71.4	0	0	0	112.4	D71 S75	D71-F73 PolarHBondContact O-N 3.05Å; D71-F73 WeakPolarHBondContact OD1-CB 3.28Å; D71-F73 PolarHBondContact OD1-N 3.26Å; F73-S75 PolarHBondContact O-N 2.94Å
74	F	96	Very high	95.4	Very high	27 Å²	27	78.3 Å²	78.3	12%	0.118	42%	0.42	C	S	.	.			trans	-89.8	91.9	177.9	-174.8	-121	0	0	0	111.8	D66 P67 F69 D71 P72 P76 W124	D66-F74 HydrophobicContact CB-CE2 3.84Å; D66-F74 HydrophobicContact CB-CZ 3.74Å; P67-F74 HydrophobicContact CB-CB 4.02Å; P67-F74 HydrophobicContact CB-CD2 4.41Å; P67-F74 HydrophobicContact CB-CG 4.11Å; P67-F74 HydrophobicContact CG-CB 4.25Å; P67-F74 HydrophobicContact CG-CD2 4.12Å; P67-F74 HydrophobicContact CG-CG 4.28Å; F69-F74 HydrophobicContact CD1-CD1 4.08Å; F69-F74 AromaticContact CD1-CE1 3.93Å; F69-F74 HydrophobicContact CD1-CE1 3.93Å; F69-F74 HydrophobicContact CE1-CD1 4.41Å; F69-F74 AromaticContact CE1-CE1 3.83Å; F69-F74 HydrophobicContact CE1-CE1 3.83Å; F69-F74 HydrophobicContact CG-CE1 4.47Å; F69-F74 HydrophobicContact CZ-CE1 4.29Å; D71-F74 HydrophobicContact CB-CB 3.93Å; D71-F74 WeakPolarHBondContact O-CB 3.4Å; D71-F74 PolarHBondContact O-N 2.76Å; P72-F74 VanDerWaalsContact C-N 3.34Å; F74-P76 VanDerWaalsContact C-CD 3.5Å; F74-P76 HydrophobicContact CD1-CG 4.37Å; F74-P76 HydrophobicContact CE1-CB 4.43Å; F74-P76 HydrophobicContact CE1-CG 3.72Å; F74-P76 HydrophobicContact CE2-CB 3.94Å; F74-P76 HydrophobicContact CE2-CG 4.07Å; F74-P76 HydrophobicContact CZ-CB 3.73Å; F74-P76 HydrophobicContact CZ-CG 3.53Å; F74-P76 VanDerWaalsContact O-CD 3.31Å; F74-P76 WeakPolarHBondContact O-CD 3.48Å; F74-W124 AromaticContact CE1-CD1 3.48Å; F74-W124 VanDerWaalsContact CE1-CD1 3.48Å; F74-W124 HydrophobicContact CE1-CG 4.44Å; F74-W124 AromaticContact CE1-NE1 3.72Å; F74-W124 AromaticContact CZ-CD1 3.48Å; F74-W124 VanDerWaalsContact CZ-CD1 3.48Å; F74-W124 HydrophobicContact CZ-CG 4.45Å
75	S	95.6	Very high	95.7	Very high	105 Å²	105	73.9 Å²	73.9	73%	0.734	40%	0.401	S	S	*	.			trans	-118.8	74.5	177	-167.6	0	0	0	0	111.7	F73	F73-S75 PolarHBondContact O-N 2.94Å
76	P	97.1	Very high	95.7	Very high	21 Å²	21	73.7 Å²	73.7	14%	0.136	40%	0.398	C	S	.	.			trans	-69.7	139.3	-174	29.3	-37	0	0	0	112.8	F69 F74 F78 D82	F69-P76 HydrophobicContact CE1-CG 4.12Å; F74-P76 VanDerWaalsContact C-CD 3.5Å; F74-P76 HydrophobicContact CD1-CG 4.37Å; F74-P76 HydrophobicContact CE1-CB 4.43Å; F74-P76 HydrophobicContact CE1-CG 3.72Å; F74-P76 HydrophobicContact CE2-CB 3.94Å; F74-P76 HydrophobicContact CE2-CG 4.07Å; F74-P76 HydrophobicContact CZ-CB 3.73Å; F74-P76 HydrophobicContact CZ-CG 3.53Å; F74-P76 VanDerWaalsContact O-CD 3.31Å; F74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-F78 HydrophobicContact CB-CE1 4.02Å; P76-F78 HydrophobicContact CB-CE2 4.27Å; P76-F78 HydrophobicContact CB-CZ 3.83Å; P76-F78 HydrophobicContact CG-CD2 4.43Å; P76-F78 HydrophobicContact CG-CE1 4.01Å; P76-F78 HydrophobicContact CG-CE2 3.57Å; P76-F78 HydrophobicContact CG-CZ 3.3Å; P76-F78 PolarHBondContact O-N 2.91Å; P76-D82 WeakPolarHBondContact CA-OD2 3.42Å
77	K	97.6	Very high	95.7	Very high	130 Å²	130	73.8 Å²	73.8	57%	0.565	40%	0.398	S	S	*	.			trans	-91.9	83.7	174	-63.2	176.9	-177.9	176	0	111	K80 D82	K77-K80 HydrophobicContact CB-CB 4.23Å; K77-K80 PolarHBondContact O-N 3.48Å; K77-D82 HydrophobicContact CB-CB 4.04Å; K77-D82 PolarHBondContact N-OD2 3.47Å
78	F	97.4	Very high	95.7	Very high	25 Å²	25	74.5 Å²	74.5	11%	0.11	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	153.3	177.2	-64.3	-55.5	0	0	0	113.1	F69 P76 K80 Y99 V101 G104 P106 W124	F69-F78 HydrophobicContact CE1-CE2 4.14Å; F69-F78 AromaticContact CE1-CZ 3.9Å; F69-F78 HydrophobicContact CE1-CZ 3.9Å; F69-F78 HydrophobicContact CZ-CE2 4.3Å; F69-F78 AromaticContact CZ-CZ 3.77Å; F69-F78 HydrophobicContact CZ-CZ 3.77Å; P76-F78 HydrophobicContact CB-CE1 4.02Å; P76-F78 HydrophobicContact CB-CE2 4.27Å; P76-F78 HydrophobicContact CB-CZ 3.83Å; P76-F78 HydrophobicContact CG-CD2 4.43Å; P76-F78 HydrophobicContact CG-CE1 4.01Å; P76-F78 HydrophobicContact CG-CE2 3.57Å; P76-F78 HydrophobicContact CG-CZ 3.3Å; P76-F78 PolarHBondContact O-N 2.91Å; F78-K80 PolarHBondContact O-N 2.9Å; F78-Y99 WeakPolarHBondContact CA-OH 3.24Å; F78-Y99 HydrophobicContact CB-CE2 3.8Å; F78-Y99 WeakPolarHBondContact CB-OH 3.26Å; F78-Y99 HydrophobicContact CD1-CE2 4.05Å; F78-Y99 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y99 HydrophobicContact CG-CE2 4.11Å; F78-V101 HydrophobicContact CB-CG2 3.67Å; F78-V101 HydrophobicContact CD2-CG1 3.92Å; F78-V101 HydrophobicContact CD2-CG2 3.95Å; F78-V101 HydrophobicContact CE2-CG1 4.46Å; F78-V101 HydrophobicContact CG-CG2 4Å; F78-G104 VanDerWaalsContact CE2-O 3.25Å; F78-G104 WeakPolarHBondContact CE2-O 3.27Å; F78-P106 HydrophobicContact CD1-CB 4.29Å; F78-P106 HydrophobicContact CD1-CG 4.37Å; F78-P106 HydrophobicContact CE1-CB 4.28Å; F78-P106 HydrophobicContact CE1-CG 3.87Å; F78-P106 HydrophobicContact CZ-CG 4.15Å; F78-W124 HydrophobicContact CE1-CB 4.11Å; F78-W124 HydrophobicContact CZ-CB 4.36Å
79	N	96.9	Very high	95.7	Very high	26 Å²	26	71.7 Å²	71.7	14%	0.139	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	18.2	-173.1	-64.2	-54.4	0	0	0	114.6	R88 E98 Y99	N79-R88 VanDerWaalsContact C-CG 3.5Å; N79-R88 WeakPolarHBondContact O-CG 3.02Å; N79-E98 HydrophobicContact CB-CG 4.26Å; N79-Y99 PolarHBondContact N-OH 2.58Å; N79-Y99 PolarHBondContact ND2-O 3.24Å; N79-Y99 WeakPolarHBondContact OD1-CD1 3.1Å; N79-Y99 WeakPolarHBondContact OD1-CE1 3.5Å; N79-Y99 PolarHBondContact OD1-N 3.38Å; N79-Y99 VanDerWaalsContact OD1-N 3.09Å
80	K	96.3	Very high	95.6	Very high	135 Å²	135	69.4 Å²	69.4	59%	0.587	37%	0.366	S	S	*	.	S	Bend	trans	-134.1	164.9	-179.2	-63.9	-179.3	-176.9	-179.1	0	111.6	K77 F78 D82 R87	K77-K80 HydrophobicContact CB-CB 4.23Å; K77-K80 PolarHBondContact O-N 3.48Å; F78-K80 PolarHBondContact O-N 2.9Å; K80-D82 PolarHBondContact O-N 3.2Å; K80-R87 WeakPolarHBondContact O-CB 3.39Å; K80-R87 PolarHBondContact O-N 3.27Å
81	K	95.8	Very high	95.4	Very high	106 Å²	106	70.2 Å²	70.2	46%	0.461	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	112	163.6	-68.7	-173.9	178.2	-176	0	108	R88 D162	K81-R88 VanDerWaalsContact CE-CZ 3.43Å; K81-D162 VanDerWaalsContact CE-OD2 3.23Å; K81-D162 WeakPolarHBondContact CE-OD2 3.48Å; K81-D162 IonicContact NZ-OD2 2.81Å; K81-D162 PolarHBondContact NZ-OD2 2.65Å
82	D	96.5	Very high	94.8	Very high	36 Å²	36	68.4 Å²	68.4	19%	0.193	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	82	-174.4	-169.5	20.2	0	0	0	110.3	P76 K77 K80 K84 V85 R87	P76-D82 WeakPolarHBondContact CA-OD2 3.42Å; K77-D82 HydrophobicContact CB-CB 4.04Å; K77-D82 PolarHBondContact N-OD2 3.47Å; K80-D82 PolarHBondContact O-N 3.2Å; D82-K84 PolarHBondContact O-N 2.91Å; D82-K84 VanDerWaalsContact O-N 3.08Å; D82-V85 CarbonylContact C-O 3.52Å; D82-V85 WeakPolarHBondContact CA-O 3.3Å; D82-V85 PolarHBondContact N-O 3.37Å; D82-V85 PolarHBondContact O-N 2.88Å; D82-V85 VanDerWaalsContact O-O 3.14Å; D82-R87 HydrophobicContact CB-CG 4.03Å; D82-R87 IonicContact OD2-CZ 3.75Å; D82-R87 IonicContact OD2-NE 2.88Å; D82-R87 PolarHBondContact OD2-NE 2.9Å; D82-R87 IonicContact OD2-NH2 2.62Å
83	G	95.2	Very high	94.1	Very high	71 Å²	71	68.9 Å²	68.9	73%	0.732	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-112	-174.2	0	0	0	0	0	112
84	K	94.9	Very high	93.3	Very high	176 Å²	176	62.5 Å²	62.5	77%	0.765	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.8	179.8	-65	178.6	-174.4	169.1	0	113.4	D82 N159	D82-K84 PolarHBondContact O-N 2.91Å; D82-K84 VanDerWaalsContact O-N 3.08Å; K84-N159 VanDerWaalsContact O-CB 3.3Å; K84-N159 WeakPolarHBondContact O-CB 3.15Å
85	V	96.9	Very high	92.1	Very high	12 Å²	12	62.9 Å²	62.9	7%	0.073	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.7	-176.7	-175.8	0	0	0	0	109	D82 R87 R123 N159	D82-V85 CarbonylContact C-O 3.52Å; D82-V85 WeakPolarHBondContact CA-O 3.3Å; D82-V85 PolarHBondContact N-O 3.37Å; D82-V85 PolarHBondContact O-N 2.88Å; D82-V85 VanDerWaalsContact O-O 3.14Å; V85-R87 HydrophobicContact CG1-CG 3.98Å; V85-R87 PolarHBondContact O-N 3.46Å; V85-R123 HydrophobicContact CG1-CG 4.14Å; V85-N159 HydrophobicContact CG2-CB 4.36Å
86	D	96.9	Very high	90.8	Very high	16 Å²	16	61.7 Å²	61.7	9%	0.086	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	107.4	169.9	-164.3	-15.8	0	0	0	108.5	R88 N159 N160	D86-R88 VanDerWaalsContact C-N 3.3Å; D86-R88 VanDerWaalsContact OD1-CB 3.32Å; D86-R88 WeakPolarHBondContact OD1-CB 3.11Å; D86-R88 WeakPolarHBondContact OD1-CG 3.45Å; D86-R88 IonicContact OD1-CZ 3.79Å; D86-R88 PolarHBondContact OD1-N 2.94Å; D86-R88 VanDerWaalsContact OD1-N 3.12Å; D86-R88 IonicContact OD1-NE 3.9Å; D86-R88 PolarHBondContact OD1-NE 2.97Å; D86-R88 IonicContact OD1-NH2 3Å; D86-R88 IonicContact OD2-CZ 3.97Å; D86-R88 IonicContact OD2-NE 3.61Å; D86-R88 PolarHBondContact OD2-NE 2.78Å; D86-R88 IonicContact OD2-NH2 3.41Å; D86-R88 PolarHBondContact OD2-NH2 3.48Å; D86-N159 PolarHBondContact N-O 2.84Å; D86-N160 HydrophobicContact CB-CB 4.22Å
87	R	97.4	Very high	89.7	Confident	8 Å²	8	64 Å²	64	3%	0.03	34%	0.342	C	S	.	.			trans	-91.5	9.5	-178.9	-60.4	-175.3	178.6	-74.7	-4.3	111.9	D66 K80 D82 V85 Y99 P126	D66-R87 VanDerWaalsContact CG-NH2 3.35Å; D66-R87 IonicContact OD1-CZ 3.95Å; D66-R87 IonicContact OD1-NH1 3.73Å; D66-R87 IonicContact OD1-NH2 3.75Å; D66-R87 PolarHBondContact OD1-NH2 3.13Å; D66-R87 IonicContact OD2-CZ 3.39Å; D66-R87 IonicContact OD2-NH1 3.73Å; D66-R87 PolarHBondContact OD2-NH1 3.17Å; D66-R87 IonicContact OD2-NH2 2.77Å; D66-R87 PolarHBondContact OD2-NH2 3.49Å; K80-R87 WeakPolarHBondContact O-CB 3.39Å; K80-R87 PolarHBondContact O-N 3.27Å; D82-R87 HydrophobicContact CB-CG 4.03Å; D82-R87 IonicContact OD2-CZ 3.75Å; D82-R87 IonicContact OD2-NE 2.88Å; D82-R87 PolarHBondContact OD2-NE 2.9Å; D82-R87 IonicContact OD2-NH2 2.62Å; V85-R87 HydrophobicContact CG1-CG 3.98Å; V85-R87 PolarHBondContact O-N 3.46Å; R87-Y99 WeakPolarHBondContact O-CE1 3.11Å; R87-Y99 VanDerWaalsContact O-CZ 3.26Å; R87-Y99 PolarHBondContact O-OH 3.45Å; R87-P126 WeakPolarHBondContact O-CG 3.35Å
88	R	95.8	Very high	89.4	Confident	59 Å²	59	65 Å²	65	22%	0.223	35%	0.348	C	S	.	.	S	Bend	trans	-80.6	154.7	177.5	-62.5	174.7	-57.5	152.4	16.2	110.9	N79 K81 D86 P126 D162	N79-R88 VanDerWaalsContact C-CG 3.5Å; N79-R88 WeakPolarHBondContact O-CG 3.02Å; K81-R88 VanDerWaalsContact CE-CZ 3.43Å; D86-R88 VanDerWaalsContact C-N 3.3Å; D86-R88 VanDerWaalsContact OD1-CB 3.32Å; D86-R88 WeakPolarHBondContact OD1-CB 3.11Å; D86-R88 WeakPolarHBondContact OD1-CG 3.45Å; D86-R88 IonicContact OD1-CZ 3.79Å; D86-R88 PolarHBondContact OD1-N 2.94Å; D86-R88 VanDerWaalsContact OD1-N 3.12Å; D86-R88 IonicContact OD1-NE 3.9Å; D86-R88 PolarHBondContact OD1-NE 2.97Å; D86-R88 IonicContact OD1-NH2 3Å; D86-R88 IonicContact OD2-CZ 3.97Å; D86-R88 IonicContact OD2-NE 3.61Å; D86-R88 PolarHBondContact OD2-NE 2.78Å; D86-R88 IonicContact OD2-NH2 3.41Å; D86-R88 PolarHBondContact OD2-NH2 3.48Å; R88-P126 WeakPolarHBondContact O-CG 3.38Å; R88-D162 IonicContact NH2-OD2 3.09Å; R88-D162 PolarHBondContact NH2-OD2 3.32Å
89	R	94.1	Very high	89.2	Confident	10 Å²	10	64 Å²	64	4%	0.038	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-60.8	147.7	161.5	-60.1	-61.1	-56.3	-78	5.4	109.5	S97 Y99 S206 E219 T278	R89-S97 WeakPolarHBondContact CG-O 3.24Å; R89-Y99 HydrophobicContact CG-CD1 3.8Å; R89-Y99 HydrophobicContact CG-CE1 4.48Å; R89-S206 VanDerWaalsContact NH2-CB 3.34Å; R89-S206 PolarHBondContact NH2-OG 2.71Å; R89-E219 WeakPolarHBondContact CD-OE1 3.41Å; R89-E219 IonicContact CZ-OE1 3.41Å; R89-E219 VanDerWaalsContact NE-CD 3.35Å; R89-E219 IonicContact NE-OE1 3.91Å; R89-E219 PolarHBondContact NE-OE1 2.8Å; R89-E219 IonicContact NE-OE2 2.89Å; R89-E219 IonicContact NH2-OE1 3.18Å; R89-E219 IonicContact NH2-OE2 2.72Å; R89-T278 PolarHBondContact NH2-OG1 2.77Å
90	I	91.3	Very high	89	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.056	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-69.2	147.3	171.1	82.2	178.1	0	0	0	109.3	T92 V128 E219 F221	I90-T92 HydrophobicContact CD1-CG2 4.11Å; I90-T92 HydrophobicContact CG1-CG2 3.7Å; I90-V128 HydrophobicContact CG2-CG2 3.84Å; I90-E219 HydrophobicContact CD1-CB 4.38Å; I90-E219 VanDerWaalsContact CG1-OE2 3.25Å; I90-E219 WeakPolarHBondContact CG1-OE2 3.4Å; I90-E219 HydrophobicContact CG2-CB 4Å; I90-E219 WeakPolarHBondContact CG2-OE2 3.5Å; I90-E219 PolarHBondContact N-OE2 3.3Å; I90-F221 HydrophobicContact CB-CE2 3.89Å; I90-F221 HydrophobicContact CB-CZ 3.99Å; I90-F221 HydrophobicContact CD1-CD2 4.42Å; I90-F221 HydrophobicContact CD1-CE2 3.94Å; I90-F221 HydrophobicContact CD1-CZ 3.99Å; I90-F221 HydrophobicContact CG1-CZ 4.49Å; I90-F221 HydrophobicContact CG2-CD2 4.42Å; I90-F221 HydrophobicContact CG2-CE2 3.58Å; I90-F221 HydrophobicContact CG2-CZ 4.22Å
91	K	87.5	Confident	89	Confident	143 Å²	143	64.4 Å²	64.4	62%	0.622	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-75.7	131.4	172.7	-49	-156.9	-173.3	-157.7	0	109.3	Q96	K91-Q96 HydrophobicContact CB-CB 4.38Å; K91-Q96 HydrophobicContact CG-CB 4.17Å; K91-Q96 HydrophobicContact CG-CG 4.01Å; K91-Q96 VanDerWaalsContact CG-OE1 3.23Å
92	T	84.2	Confident	88.8	Confident	15 Å²	15	65.6 Å²	65.6	9%	0.092	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-131	164.2	176.5	68.9	0	0	0	0	109.7	I90 C94 G95 S204 T278	I90-T92 HydrophobicContact CD1-CG2 4.11Å; I90-T92 HydrophobicContact CG1-CG2 3.7Å; T92-C94 PolarHBondContact O-N 2.87Å; T92-C94 VanDerWaalsContact O-N 3.16Å; T92-C94 PolarHBondContact OG1-N 3.28Å; T92-G95 PolarHBondContact N-O 3.32Å; T92-G95 CarbonylContact O-C 3.59Å; T92-G95 WeakPolarHBondContact O-CA 3.3Å; T92-G95 PolarHBondContact O-N 2.89Å; T92-G95 PolarHBondContact OG1-O 3.39Å; T92-S204 WeakPolarHBondContact CG2-O 3.47Å; T92-T278 WeakPolarHBondContact CB-O 3.14Å; T92-T278 WeakPolarHBondContact CG2-O 3.33Å
93	P	79	Confident	88.5	Confident	124 Å²	124	67.6 Å²	67.6	81%	0.805	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.1	169.6	-24.9	35.5	0	0	0	113.2	G95	P93-G95 PolarHBondContact O-N 2.85Å
94	C	78.1	Confident	88.3	Confident	57 Å²	57	66.4 Å²	66.4	39%	0.385	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.9	175.1	-32.6	0	0	0	0	112.3	T92 T278 C281	T92-C94 PolarHBondContact O-N 2.87Å; T92-C94 VanDerWaalsContact O-N 3.16Å; T92-C94 PolarHBondContact OG1-N 3.28Å; C94-T278 PolarHBondContact SG-O 2.68Å; C94-C281 WeakPolarHBondContact CA-SG 3.48Å; C94-C281 HydrophobicContact CB-CB 4.02Å; C94-C281 WeakPolarHBondContact CB-SG 3.49Å; C94-C281 PolarHBondContact N-SG 3.25Å; C94-C281 WeakPolarHBondContact SG-CA 3.17Å; C94-C281 WeakPolarHBondContact SG-CB 3.31Å; C94-C281 PolarHBondContact SG-N 3.41Å; C94-C281 VanDerWaalsContact SG-N 3.35Å; C94-C281 CovalentContact SG-SG 2.04Å; C94-C281 PolarHBondContact SG-SG 3.02Å
95	G	70.1	Confident	88.4	Confident	35 Å²	35	62.3 Å²	62.3	36%	0.361	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	104.5	179.6	-176.2	0	0	0	0	0	113.6	T92 P93	T92-G95 PolarHBondContact N-O 3.32Å; T92-G95 CarbonylContact O-C 3.59Å; T92-G95 WeakPolarHBondContact O-CA 3.3Å; T92-G95 PolarHBondContact O-N 2.89Å; T92-G95 PolarHBondContact OG1-O 3.39Å; P93-G95 PolarHBondContact O-N 2.85Å
96	Q	68	Low	88.4	Confident	79 Å²	79	61.8 Å²	61.8	37%	0.369	35%	0.352	S	S	.	.			trans	-126.3	83.6	170.8	-175.3	-164.3	-11.9	0	0	106.9	K91	K91-Q96 HydrophobicContact CB-CB 4.38Å; K91-Q96 HydrophobicContact CG-CB 4.17Å; K91-Q96 HydrophobicContact CG-CG 4.01Å; K91-Q96 VanDerWaalsContact CG-OE1 3.23Å
97	S	73.1	Confident	88.3	Confident	71 Å²	71	61.5 Å²	61.5	50%	0.497	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-79.7	139.3	172.1	73.2	0	0	0	0	109.2	R89	R89-S97 WeakPolarHBondContact CG-O 3.24Å
98	E	91.1	Very high	88.1	Confident	149 Å²	149	61.3 Å²	61.3	70%	0.696	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-61.9	156.7	161.5	-65.4	-170.3	159.9	0	0	109.6	N79	N79-E98 HydrophobicContact CB-CG 4.26Å
99	Y	93.6	Very high	87.9	Confident	6 Å²	6	59.4 Å²	59.4	2%	0.024	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-98.1	149.5	169	53.8	-95.2	0	0	0	110.4	F78 N79 R87 R89 V101 P106 P126 W217	F78-Y99 WeakPolarHBondContact CA-OH 3.24Å; F78-Y99 HydrophobicContact CB-CE2 3.8Å; F78-Y99 WeakPolarHBondContact CB-OH 3.26Å; F78-Y99 HydrophobicContact CD1-CE2 4.05Å; F78-Y99 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y99 HydrophobicContact CG-CE2 4.11Å; N79-Y99 PolarHBondContact N-OH 2.58Å; N79-Y99 PolarHBondContact ND2-O 3.24Å; N79-Y99 WeakPolarHBondContact OD1-CD1 3.1Å; N79-Y99 WeakPolarHBondContact OD1-CE1 3.5Å; N79-Y99 PolarHBondContact OD1-N 3.38Å; N79-Y99 VanDerWaalsContact OD1-N 3.09Å; R87-Y99 WeakPolarHBondContact O-CE1 3.11Å; R87-Y99 VanDerWaalsContact O-CZ 3.26Å; R87-Y99 PolarHBondContact O-OH 3.45Å; R89-Y99 HydrophobicContact CG-CD1 3.8Å; R89-Y99 HydrophobicContact CG-CE1 4.48Å; Y99-V101 HydrophobicContact CD2-CG2 4.16Å; Y99-V101 HydrophobicContact CE2-CG2 4.01Å; Y99-P106 HydrophobicContact CD2-CB 3.73Å; Y99-P106 HydrophobicContact CE2-CB 3.52Å; Y99-P126 HydrophobicContact CE1-CG 3.91Å; Y99-W217 AromaticContact CD1-CH2 3.84Å; Y99-W217 HydrophobicContact CD1-CH2 3.84Å; Y99-W217 AromaticContact CD1-CZ2 3.61Å; Y99-W217 HydrophobicContact CD1-CZ2 3.61Å; Y99-W217 AromaticContact CD2-CH2 3.85Å; Y99-W217 HydrophobicContact CD2-CH2 3.85Å; Y99-W217 HydrophobicContact CD2-CZ2 4.47Å; Y99-W217 HydrophobicContact CE1-CH2 4.35Å; Y99-W217 HydrophobicContact CE1-CZ2 4.15Å; Y99-W217 HydrophobicContact CE2-CH2 4.37Å; Y99-W217 AromaticContact CG-CH2 3.56Å; Y99-W217 HydrophobicContact CG-CH2 3.56Å; Y99-W217 AromaticContact CG-CZ2 3.79Å; Y99-W217 HydrophobicContact CG-CZ2 3.79Å
100	L	94	Very high	87.5	Confident	102 Å²	102	59.5 Å²	59.5	53%	0.534	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-67.6	142.2	177.1	-60.1	177.7	0	0	0	110.4	L107	L100-L107 HydrophobicContact CB-CB 4.24Å; L100-L107 HydrophobicContact CB-CD1 4.16Å; L100-L107 HydrophobicContact CB-CG 4.48Å; L100-L107 PolarHBondContact O-N 3.1Å
101	V	95.1	Very high	87.4	Confident	66 Å²	66	59 Å²	59	40%	0.4	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.6	170	-180	0	0	0	0	107.4	F78 Y99 K105	F78-V101 HydrophobicContact CB-CG2 3.67Å; F78-V101 HydrophobicContact CD2-CG1 3.92Å; F78-V101 HydrophobicContact CD2-CG2 3.95Å; F78-V101 HydrophobicContact CE2-CG1 4.46Å; F78-V101 HydrophobicContact CG-CG2 4Å; Y99-V101 HydrophobicContact CD2-CG2 4.16Å; Y99-V101 HydrophobicContact CE2-CG2 4.01Å; V101-K105 CarbonylContact C-O 3.58Å; V101-K105 VanDerWaalsContact CA-O 3.32Å; V101-K105 WeakPolarHBondContact CA-O 3.39Å
102	R	91.7	Very high	87.5	Confident	131 Å²	131	53.5 Å²	53.5	49%	0.494	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.3	-178.7	-171.4	-177.8	-69.7	171.5	-1.6	109.3	G104 K105 L107	R102-G104 PolarHBondContact O-N 3.36Å; R102-K105 PolarHBondContact N-O 3.2Å; R102-K105 PolarHBondContact O-N 3.2Å; R102-L107 HydrophobicContact CB-CD1 3.76Å; R102-L107 HydrophobicContact CB-CD2 4.43Å; R102-L107 HydrophobicContact CB-CG 4.14Å
103	G	89.8	Confident	87.7	Confident	79 Å²	79	54 Å²	54	81%	0.814	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	34.9	-176.7	0	0	0	0	0	113.1	K105	G103-K105 PolarHBondContact O-N 3.28Å
104	G	92.6	Very high	88.1	Confident	46 Å²	46	49.2 Å²	49.2	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.2	-177	0	0	0	0	0	115.2	F69 F78 R102	F69-G104 WeakPolarHBondContact CE1-O 3.42Å; F78-G104 VanDerWaalsContact CE2-O 3.25Å; F78-G104 WeakPolarHBondContact CE2-O 3.27Å; R102-G104 PolarHBondContact O-N 3.36Å
105	K	95.2	Very high	88.7	Confident	90 Å²	90	47.3 Å²	47.3	39%	0.391	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.8	-179.1	-57.4	-176.5	-177.6	170.5	0	111.1	F69 V101 R102 G103	F69-K105 HydrophobicContact CD2-CD 4.2Å; F69-K105 HydrophobicContact CD2-CG 3.96Å; F69-K105 HydrophobicContact CE1-CG 4.49Å; F69-K105 HydrophobicContact CE2-CB 4.25Å; F69-K105 HydrophobicContact CE2-CD 4.15Å; F69-K105 HydrophobicContact CE2-CG 3.63Å; F69-K105 HydrophobicContact CG-CG 4.5Å; F69-K105 HydrophobicContact CZ-CB 4.3Å; F69-K105 HydrophobicContact CZ-CG 3.93Å; V101-K105 CarbonylContact C-O 3.58Å; V101-K105 VanDerWaalsContact CA-O 3.32Å; V101-K105 WeakPolarHBondContact CA-O 3.39Å; R102-K105 PolarHBondContact N-O 3.2Å; R102-K105 PolarHBondContact O-N 3.2Å; G103-K105 PolarHBondContact O-N 3.28Å
106	P	97.1	Very high	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.6	174.3	31.3	-34.8	0	0	0	109.8	F78 Y99 W124 N215 W217	F78-P106 HydrophobicContact CD1-CB 4.29Å; F78-P106 HydrophobicContact CD1-CG 4.37Å; F78-P106 HydrophobicContact CE1-CB 4.28Å; F78-P106 HydrophobicContact CE1-CG 3.87Å; F78-P106 HydrophobicContact CZ-CG 4.15Å; Y99-P106 HydrophobicContact CD2-CB 3.73Å; Y99-P106 HydrophobicContact CE2-CB 3.52Å; P106-W124 HydrophobicContact CG-CB 4.14Å; P106-N215 WeakPolarHBondContact CG-O 3.3Å; P106-N215 VanDerWaalsContact O-CA 3.3Å; P106-N215 WeakPolarHBondContact O-CA 3.03Å; P106-N215 PolarHBondContact O-ND2 2.85Å; P106-W217 HydrophobicContact CB-CH2 4.14Å; P106-W217 HydrophobicContact CB-CZ3 4.19Å
107	L	94.6	Very high	91.1	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	26%	0.262	C	S	.	.			trans	-111.3	131.8	176.5	-62.8	-171.8	0	0	0	110.1	W44 L100 R102 P109 D214	W44-L107 HydrophobicContact CD2-CB 4.26Å; W44-L107 HydrophobicContact CD2-CD1 3.88Å; W44-L107 HydrophobicContact CD2-CG 4.48Å; W44-L107 HydrophobicContact CE3-CD1 4.12Å; W44-L107 HydrophobicContact CG-CD1 4.19Å; W44-L107 HydrophobicContact CH2-CD2 3.87Å; W44-L107 HydrophobicContact CZ2-CB 3.88Å; W44-L107 HydrophobicContact CZ2-CD2 3.93Å; W44-L107 HydrophobicContact CZ2-CG 4.34Å; W44-L107 HydrophobicContact CZ3-CD2 4.16Å; L100-L107 HydrophobicContact CB-CB 4.24Å; L100-L107 HydrophobicContact CB-CD1 4.16Å; L100-L107 HydrophobicContact CB-CG 4.48Å; L100-L107 PolarHBondContact O-N 3.1Å; R102-L107 HydrophobicContact CB-CD1 3.76Å; R102-L107 HydrophobicContact CB-CD2 4.43Å; R102-L107 HydrophobicContact CB-CG 4.14Å; L107-P109 VanDerWaalsContact O-CD 3.23Å; L107-P109 WeakPolarHBondContact O-CD 3.46Å; L107-D214 CarbonylContact C-O 3.54Å; L107-D214 WeakPolarHBondContact CA-O 3.26Å
108	N	94	Very high	92.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	24%	0.242	C	C	.	.			trans	-60.2	119	-179.7	-173.8	-20.5	0	0	0	110.9	W44 A110 G111 T213 D214 W217	W44-N108 PolarHBondContact NE1-O 2.77Å; N108-A110 PolarHBondContact O-N 2.54Å; N108-A110 VanDerWaalsContact O-N 3.09Å; N108-A110 WeakPolarHBondContact OD1-CB 3.15Å; N108-A110 PolarHBondContact OD1-N 2.85Å; N108-G111 PolarHBondContact O-N 3.2Å; N108-T213 VanDerWaalsContact CB-O 3.3Å; N108-T213 WeakPolarHBondContact CB-O 3.26Å; N108-T213 PolarHBondContact ND2-O 2.81Å; N108-D214 PolarHBondContact N-O 2.71Å; N108-W217 VanDerWaalsContact CA-CE3 3.5Å; N108-W217 HydrophobicContact CB-CE3 3.86Å; N108-W217 HydrophobicContact CB-CZ3 4.33Å
109	P	91.3	Very high	92.3	Very high	20 Å²	20	33.7 Å²	33.7	13%	0.13	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.5	-177.3	-30.3	43.1	0	0	0	114	L107 G111 W217 N276	L107-P109 VanDerWaalsContact O-CD 3.23Å; L107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-G111 PolarHBondContact O-N 2.84Å; P109-W217 HydrophobicContact CG-CH2 4.3Å; P109-W217 HydrophobicContact CG-CZ2 3.97Å; P109-N276 VanDerWaalsContact O-CB 3.25Å; P109-N276 WeakPolarHBondContact O-CB 3.32Å; P109-N276 PolarHBondContact O-ND2 3.33Å
110	A	87.2	Confident	92.3	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	3.4	172.6	0	0	0	0	0	114.3	N108 H274 Y277	N108-A110 PolarHBondContact O-N 2.54Å; N108-A110 VanDerWaalsContact O-N 3.09Å; N108-A110 WeakPolarHBondContact OD1-CB 3.15Å; N108-A110 PolarHBondContact OD1-N 2.85Å; A110-H274 HydrophobicContact CB-CB 4.37Å; A110-H274 PolarHBondContact O-CD2 2.85Å; A110-Y277 HydrophobicContact CB-CD1 4.1Å; A110-Y277 HydrophobicContact CB-CE1 3.5Å; A110-Y277 HydrophobicContact CB-CE2 4.29Å
111	G	88.1	Confident	92.4	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	19%	0.187	C	C	.	.			trans	95.1	179.2	-179.1	0	0	0	0	0	113.7	N108 P109	N108-G111 PolarHBondContact O-N 3.2Å; P109-G111 PolarHBondContact O-N 2.84Å
112	P	89.7	Confident	92.4	Very high	27 Å²	27	26.4 Å²	26.4	18%	0.175	17%	0.169	C	C	.	.			trans	-58.1	139.2	172.2	27.1	-39.2	0	0	0	112.1	K42 W44 T47 Y51	K42-P112 HydrophobicContact CB-CG 3.77Å; K42-P112 WeakPolarHBondContact O-CD 3.49Å; W44-P112 HydrophobicContact CH2-CB 4.29Å; W44-P112 HydrophobicContact CZ3-CB 4.37Å; T47-P112 HydrophobicContact CG2-CB 4.25Å; T47-P112 HydrophobicContact CG2-CG 3.71Å; Y51-P112 HydrophobicContact CE1-CB 3.74Å; Y51-P112 HydrophobicContact CE2-CB 4.24Å
113	T	87.7	Confident	92.7	Very high	25 Å²	25	20.8 Å²	20.8	15%	0.153	15%	0.148	C	C	.	.			trans	-104.5	-11.2	178.6	66	0	0	0	0	112.6	A37 Y115 N212 T213 D214	A37-T113 WeakPolarHBondContact CB-O 3.27Å; T113-Y115 VanDerWaalsContact C-N 3.32Å; T113-Y115 PolarHBondContact OG1-N 2.92Å; T113-Y115 PolarHBondContact OG1-O 3.13Å; T113-N212 HydrophobicContact CG2-CB 4.42Å; T113-T213 VanDerWaalsContact CG2-C 3.48Å; T113-T213 WeakPolarHBondContact CG2-O 3.26Å; T113-T213 VanDerWaalsContact OG1-CA 3.28Å; T113-T213 WeakPolarHBondContact OG1-CA 3.34Å; T113-D214 WeakPolarHBondContact CA-OD1 3.37Å; T113-D214 PolarHBondContact N-OD1 2.99Å; T113-D214 PolarHBondContact OG1-N 3.01Å; T113-D214 VanDerWaalsContact OG1-N 3.13Å; T113-D214 PolarHBondContact OG1-OD1 3.19Å
114	G	88.2	Confident	93.1	Very high	24 Å²	24	17.5 Å²	17.5	25%	0.247	11%	0.111	C	C	.	.	S	Bend	trans	87.8	-5.8	-170.1	0	0	0	0	0	114	Y51 G53 T54 D214	Y51-G114 VanDerWaalsContact OH-CA 3.23Å; Y51-G114 WeakPolarHBondContact OH-CA 3.36Å; Y51-G114 PolarHBondContact OH-N 2.8Å; Y51-G114 VanDerWaalsContact OH-N 3.1Å; G53-G114 CarbonylContact C-O 3.51Å; G53-G114 WeakPolarHBondContact CA-O 3.48Å; T54-G114 PolarHBondContact N-O 3.02Å; G114-D214 PolarHBondContact N-OD1 3.41Å
115	Y	91	Very high	93.3	Very high	16 Å²	16	15.3 Å²	15.3	6%	0.063	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.5	-179.1	-62.3	-81.1	0	0	0	111.5	W30 C33 T54 W56 T113 T213 D214	W30-Y115 AromaticContact CE3-CZ 3.97Å; W30-Y115 VanDerWaalsContact CE3-OH 3.31Å; W30-Y115 HydrophobicContact CH2-CE2 4.11Å; W30-Y115 HydrophobicContact CZ3-CE1 4.3Å; W30-Y115 AromaticContact CZ3-CE2 3.82Å; W30-Y115 HydrophobicContact CZ3-CE2 3.82Å; W30-Y115 AromaticContact CZ3-CZ 3.62Å; W30-Y115 WeakPolarHBondContact CZ3-OH 3.46Å; C33-Y115 HydrophobicContact CB-CE1 4.27Å; C33-Y115 WeakPolarHBondContact CB-OH 3.17Å; T54-Y115 HydrophobicContact CG2-CD1 4.45Å; T54-Y115 CarbonylContact O-C 3.55Å; T54-Y115 VanDerWaalsContact O-CA 3.28Å; T54-Y115 WeakPolarHBondContact O-CA 3.36Å; W56-Y115 HydrophobicContact CB-CD1 4.34Å; T113-Y115 VanDerWaalsContact C-N 3.32Å; T113-Y115 PolarHBondContact OG1-N 2.92Å; T113-Y115 PolarHBondContact OG1-O 3.13Å; Y115-T213 CarbonylContact O-C 3.56Å; Y115-T213 WeakPolarHBondContact O-CB 3.08Å; Y115-D214 VanDerWaalsContact O-CB 3.28Å; Y115-D214 WeakPolarHBondContact O-CB 3.44Å; Y115-D214 PolarHBondContact O-N 3.43Å
116	A	93.3	Very high	93.4	Very high	21 Å²	21	11.4 Å²	11.4	17%	0.174	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	152.3	174.4	0	0	0	0	0	110.9	G53 T54 P55 W56	G53-A116 WeakPolarHBondContact O-CB 3.45Å; T54-A116 PolarHBondContact O-N 2.78Å; P55-A116 CarbonylContact C-O 3.44Å; P55-A116 WeakPolarHBondContact CA-O 3.38Å; W56-A116 PolarHBondContact N-O 2.94Å
117	G	95.3	Very high	93.4	Very high	5 Å²	5	11.5 Å²	11.5	5%	0.052	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-176.3	-179	0	0	0	0	0	113.6	N57 T213 N215	N57-G117 WeakPolarHBondContact OD1-CA 3.18Å; G117-T213 VanDerWaalsContact O-CB 3.29Å; G117-T213 WeakPolarHBondContact O-CB 3.3Å; G117-T213 PolarHBondContact O-OG1 3.27Å; G117-N215 PolarHBondContact N-OD1 3.19Å
118	R	95.4	Very high	93.4	Very high	22 Å²	22	11.7 Å²	11.7	8%	0.083	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-17	-177.1	-177	165.6	53.7	74.9	1.3	112.6	N57 D66 L120 F121 W124 A216	N57-R118 PolarHBondContact OD1-N 3.43Å; D66-R118 PolarHBondContact O-NE 3.39Å; D66-R118 PolarHBondContact O-NH2 2.78Å; R118-L120 PolarHBondContact O-N 3.38Å; R118-F121 VanDerWaalsContact CD-O 3.26Å; R118-F121 WeakPolarHBondContact CD-O 3.31Å; R118-F121 HydrophobicContact CG-CB 4.38Å; R118-F121 WeakPolarHBondContact CG-O 3.22Å; R118-F121 PolarHBondContact NH1-O 2.8Å; R118-F121 PolarHBondContact O-N 2.91Å; R118-W124 HydrophobicContact CB-CD2 3.99Å; R118-W124 HydrophobicContact CB-CE3 3.92Å; R118-W124 HydrophobicContact CB-CH2 3.85Å; R118-W124 HydrophobicContact CB-CZ2 3.89Å; R118-W124 HydrophobicContact CB-CZ3 3.88Å; R118-W124 HydrophobicContact CG-CD2 4.45Å; R118-W124 VanDerWaalsContact N-CZ3 3.27Å; R118-A216 HydrophobicContact CG-CB 4.34Å
119	G	94.3	Very high	93.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.3	-126.6	-174.4	0	0	0	0	0	111.1	W56 V58	W56-G119 WeakPolarHBondContact O-CA 3.5Å; W56-G119 PolarHBondContact O-N 2.03Å; V58-G119 PolarHBondContact N-O 3.11Å; V58-G119 VanDerWaalsContact N-O 3.12Å
120	L	92	Very high	93.5	Very high	16 Å²	16	11.9 Å²	11.9	8%	0.084	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.1	179.1	-76.5	172.3	0	0	0	114.6	F21 W56 V58 W62 R118 W211	F21-L120 HydrophobicContact CD1-CD1 4.37Å; F21-L120 HydrophobicContact CD2-CD1 4.19Å; F21-L120 HydrophobicContact CE1-CD1 3.57Å; F21-L120 HydrophobicContact CE2-CD1 3.49Å; F21-L120 VanDerWaalsContact CE2-CD1 3.49Å; F21-L120 HydrophobicContact CZ-CD1 3.07Å; F21-L120 HydrophobicContact CZ-CG 4.42Å; W56-L120 HydrophobicContact CH2-CD1 4.45Å; W56-L120 HydrophobicContact CH2-CG 4.36Å; W56-L120 HydrophobicContact CZ2-CD1 4.31Å; W56-L120 HydrophobicContact CZ2-CG 4.06Å; V58-L120 HydrophobicContact CB-CD2 3.81Å; V58-L120 HydrophobicContact CG1-CD2 3.72Å; V58-L120 HydrophobicContact CG2-CD2 3.78Å; V58-L120 HydrophobicContact CG2-CG 4.09Å; W62-L120 PolarHBondContact NE1-O 2.62Å; R118-L120 PolarHBondContact O-N 3.38Å; L120-W211 HydrophobicContact CB-CD2 4.21Å; L120-W211 HydrophobicContact CB-CE3 4.26Å; L120-W211 HydrophobicContact CB-CG 4.46Å; L120-W211 HydrophobicContact CD1-CD2 4.1Å; L120-W211 HydrophobicContact CD1-CG 4.28Å; L120-W211 HydrophobicContact CD1-CZ2 4.29Å
121	F	95.8	Very high	93.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.			trans	-74	147.2	-174	-75.4	-60	0	0	0	112.1	R118 R123 N127 F157 W211 A216 I218	R118-F121 VanDerWaalsContact CD-O 3.26Å; R118-F121 WeakPolarHBondContact CD-O 3.31Å; R118-F121 HydrophobicContact CG-CB 4.38Å; R118-F121 WeakPolarHBondContact CG-O 3.22Å; R118-F121 PolarHBondContact NH1-O 2.8Å; R118-F121 PolarHBondContact O-N 2.91Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.49Å; F121-N127 HydrophobicContact CB-CB 4.41Å; F121-N127 WeakPolarHBondContact CB-ND2 3.14Å; F121-N127 HydrophobicContact CD1-CB 3.64Å; F121-N127 HydrophobicContact CE1-CB 4.17Å; F121-N127 HydrophobicContact CG-CB 4.14Å; F121-F157 AromaticContact CD1-CE1 3.9Å; F121-F157 HydrophobicContact CD1-CE1 3.9Å; F121-F157 AromaticContact CD1-CZ 3.76Å; F121-F157 HydrophobicContact CD1-CZ 3.76Å; F121-F157 HydrophobicContact CE1-CE1 4.09Å; F121-F157 AromaticContact CE1-CZ 3.96Å; F121-F157 HydrophobicContact CE1-CZ 3.96Å; F121-W211 HydrophobicContact CD1-CE3 4.35Å; F121-W211 HydrophobicContact CD2-CB 4.32Å; F121-W211 HydrophobicContact CE1-CB 4.18Å; F121-W211 AromaticContact CE1-CE3 3.97Å; F121-W211 HydrophobicContact CE1-CE3 3.97Å; F121-W211 HydrophobicContact CE2-CB 3.61Å; F121-W211 WeakPolarHBondContact CE2-O 3.22Å; F121-W211 HydrophobicContact CZ-CB 3.51Å; F121-W211 HydrophobicContact CZ-CE3 4.45Å; F121-A216 HydrophobicContact CB-CB 4.01Å; F121-A216 HydrophobicContact CD2-CB 3.67Å; F121-A216 WeakPolarHBondContact CE2-O 2.96Å; F121-A216 HydrophobicContact CG-CB 4.24Å; F121-I218 HydrophobicContact CE1-CB 3.79Å; F121-I218 HydrophobicContact CE1-CG1 4.26Å; F121-I218 HydrophobicContact CZ-CB 3.71Å
122	P	95.5	Very high	94	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.032	7%	0.072	C	C	.	.	S	Bend	trans	-67.4	-29.3	175.6	24.5	-31.5	0	0	0	112.8	W62 C65 D66 N127 F157	W62-P122 HydrophobicContact CB-CB 4.28Å; W62-P122 HydrophobicContact CG-CB 4.01Å; W62-P122 HydrophobicContact CG-CG 4.47Å; C65-P122 CarbonylContact C-O 3.39Å; C65-P122 WeakPolarHBondContact CA-O 3.25Å; C65-P122 WeakPolarHBondContact CB-O 3.15Å; D66-P122 PolarHBondContact N-O 2.84Å; P122-N127 WeakPolarHBondContact CD-OD1 3.11Å; P122-N127 WeakPolarHBondContact CG-OD1 3.45Å; P122-F157 HydrophobicContact CG-CB 4.22Å; P122-F157 HydrophobicContact CG-CD1 4.18Å; P122-F157 HydrophobicContact CG-CD2 4.07Å; P122-F157 HydrophobicContact CG-CG 3.88Å
123	R	97.8	Very high	94.2	Very high	13 Å²	13	11.7 Å²	11.7	5%	0.049	7%	0.067	C	C	.	.	S	Bend	trans	-121.6	152.6	-173.2	-49.5	-59.1	174.1	-178.7	-1.3	112.8	E64 D66 V85 F121 N127 N159	E64-R123 IonicContact OE1-CZ 3.04Å; E64-R123 IonicContact OE1-NH1 2.71Å; E64-R123 PolarHBondContact OE1-NH1 2.85Å; E64-R123 IonicContact OE1-NH2 3.96Å; E64-R123 PolarHBondContact OE1-NH2 3.43Å; E64-R123 IonicContact OE2-NH2 2.85Å; D66-R123 VanDerWaalsContact OD1-CD 3.27Å; D66-R123 WeakPolarHBondContact OD1-CD 3.5Å; D66-R123 IonicContact OD1-CZ 2.86Å; D66-R123 IonicContact OD1-NH1 3.55Å; D66-R123 PolarHBondContact OD1-NH1 3.44Å; D66-R123 VanDerWaalsContact OD1-NH1 3.09Å; D66-R123 VanDerWaalsContact OD2-CA 3.27Å; D66-R123 WeakPolarHBondContact OD2-CA 3.48Å; V85-R123 HydrophobicContact CG1-CG 4.14Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.49Å; R123-N127 WeakPolarHBondContact CA-OD1 3.3Å; R123-N127 WeakPolarHBondContact CB-OD1 3.38Å; R123-N127 PolarHBondContact N-OD1 3.31Å; R123-N127 PolarHBondContact O-ND2 3.41Å; R123-N127 PolarHBondContact O-OD1 2.88Å; R123-N159 PolarHBondContact NE-OD1 2.88Å; R123-N159 PolarHBondContact NH2-ND2 2.81Å; R123-N159 VanDerWaalsContact NH2-ND2 3.15Å; R123-N159 PolarHBondContact NH2-OD1 2.83Å; R123-N159 VanDerWaalsContact NH2-OD1 3.09Å
124	W	98	Very high	94.6	Very high	11 Å²	11	10.5 Å²	10.5	4%	0.042	6%	0.06	C	C	.	.	S	Bend	trans	-74	138.6	162.9	-64.4	99.7	0	0	0	110.3	N57 D66 P67 F69 F74 F78 P106 R118 N215	N57-W124 WeakPolarHBondContact OD1-CH2 3.31Å; D66-W124 VanDerWaalsContact CB-CD1 3.49Å; D66-W124 PolarHBondContact OD2-N 3.11Å; P67-W124 PolarHBondContact O-NE1 3.14Å; F69-W124 HydrophobicContact CD2-CD2 4.14Å; F69-W124 AromaticContact CD2-CE2 3.77Å; F69-W124 HydrophobicContact CD2-CE3 4.39Å; F69-W124 AromaticContact CD2-CH2 3.99Å; F69-W124 HydrophobicContact CD2-CH2 3.99Å; F69-W124 AromaticContact CD2-CZ2 3.72Å; F69-W124 HydrophobicContact CD2-CZ2 3.72Å; F69-W124 HydrophobicContact CD2-CZ3 4.3Å; F69-W124 AromaticContact CE2-CD2 3.35Å; F69-W124 HydrophobicContact CE2-CD2 3.35Å; F69-W124 AromaticContact CE2-CE2 3.48Å; F69-W124 VanDerWaalsContact CE2-CE2 3.48Å; F69-W124 AromaticContact CE2-CE3 3.52Å; F69-W124 HydrophobicContact CE2-CE3 3.52Å; F69-W124 AromaticContact CE2-CG 3.86Å; F69-W124 HydrophobicContact CE2-CG 3.86Å; F69-W124 AromaticContact CE2-CH2 3.92Å; F69-W124 HydrophobicContact CE2-CH2 3.92Å; F69-W124 AromaticContact CE2-CZ2 3.79Å; F69-W124 HydrophobicContact CE2-CZ2 3.79Å; F69-W124 AromaticContact CE2-CZ3 3.78Å; F69-W124 HydrophobicContact CE2-CZ3 3.78Å; F69-W124 HydrophobicContact CZ-CB 4.32Å; F69-W124 AromaticContact CZ-CD2 3.93Å; F69-W124 HydrophobicContact CZ-CD2 3.93Å; F69-W124 HydrophobicContact CZ-CE3 4.29Å; F69-W124 AromaticContact CZ-CG 3.94Å; F69-W124 HydrophobicContact CZ-CG 3.94Å; F74-W124 AromaticContact CE1-CD1 3.48Å; F74-W124 VanDerWaalsContact CE1-CD1 3.48Å; F74-W124 HydrophobicContact CE1-CG 4.44Å; F74-W124 AromaticContact CE1-NE1 3.72Å; F74-W124 AromaticContact CZ-CD1 3.48Å; F74-W124 VanDerWaalsContact CZ-CD1 3.48Å; F74-W124 HydrophobicContact CZ-CG 4.45Å; F78-W124 HydrophobicContact CE1-CB 4.11Å; F78-W124 HydrophobicContact CZ-CB 4.36Å; P106-W124 HydrophobicContact CG-CB 4.14Å; R118-W124 HydrophobicContact CB-CD2 3.99Å; R118-W124 HydrophobicContact CB-CE3 3.92Å; R118-W124 HydrophobicContact CB-CH2 3.85Å; R118-W124 HydrophobicContact CB-CZ2 3.89Å; R118-W124 HydrophobicContact CB-CZ3 3.88Å; R118-W124 HydrophobicContact CG-CD2 4.45Å; R118-W124 VanDerWaalsContact N-CZ3 3.27Å; W124-N215 HydrophobicContact CE3-CB 3.74Å; W124-N215 HydrophobicContact CZ3-CB 3.71Å
125	G	97.9	Very high	94.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-136.3	-177.1	0	0	0	0	0	112.6	N127 N215 A216 W217	G125-N127 PolarHBondContact O-ND2 2.94Å; G125-N215 PolarHBondContact N-O 2.58Å; G125-A216 VanDerWaalsContact O-CA 3.29Å; G125-A216 WeakPolarHBondContact O-CA 2.97Å; G125-W217 PolarHBondContact O-N 3.23Å
126	P	97.2	Very high	95	Very high	7 Å²	7	11 Å²	11	5%	0.045	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.4	-176.2	31.7	-35.9	0	0	0	112.2	R87 R88 Y99 W217 E219	R87-P126 WeakPolarHBondContact O-CG 3.35Å; R88-P126 WeakPolarHBondContact O-CG 3.38Å; Y99-P126 HydrophobicContact CE1-CG 3.91Å; P126-W217 HydrophobicContact CB-CZ2 4.1Å; P126-W217 HydrophobicContact CG-CZ2 4.38Å; P126-E219 WeakPolarHBondContact CB-OE1 3.41Å
127	N	97.3	Very high	95	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	103.5	177.2	-72.8	-97.9	0	0	0	110	F121 P122 R123 G125 F129 F157 W217 E219	F121-N127 HydrophobicContact CB-CB 4.41Å; F121-N127 WeakPolarHBondContact CB-ND2 3.14Å; F121-N127 HydrophobicContact CD1-CB 3.64Å; F121-N127 HydrophobicContact CE1-CB 4.17Å; F121-N127 HydrophobicContact CG-CB 4.14Å; P122-N127 WeakPolarHBondContact CD-OD1 3.11Å; P122-N127 WeakPolarHBondContact CG-OD1 3.45Å; R123-N127 WeakPolarHBondContact CA-OD1 3.3Å; R123-N127 WeakPolarHBondContact CB-OD1 3.38Å; R123-N127 PolarHBondContact N-OD1 3.31Å; R123-N127 PolarHBondContact O-ND2 3.41Å; R123-N127 PolarHBondContact O-OD1 2.88Å; G125-N127 PolarHBondContact O-ND2 2.94Å; N127-F129 PolarHBondContact O-N 3.44Å; N127-F157 HydrophobicContact CB-CD1 4.1Å; N127-F157 HydrophobicContact CB-CE1 3.79Å; N127-W217 WeakPolarHBondContact CB-O 3.27Å; N127-W217 PolarHBondContact N-O 2.84Å; N127-E219 PolarHBondContact O-N 3.39Å
128	V	95.3	Very high	94.7	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.085	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.3	-177.6	-176.4	0	0	0	0	110.4	I90 V130 F157 V158 V161 E219 F221	I90-V128 HydrophobicContact CG2-CG2 3.84Å; V128-V130 HydrophobicContact CG1-CG2 4.15Å; V128-F157 CarbonylContact O-C 3.52Å; V128-F157 WeakPolarHBondContact O-CA 2.94Å; V128-V158 PolarHBondContact O-N 3.13Å; V128-V161 HydrophobicContact CG1-CB 4.49Å; V128-E219 CarbonylContact C-O 3.35Å; V128-E219 VanDerWaalsContact CA-O 3.23Å; V128-E219 WeakPolarHBondContact CA-O 3.44Å; V128-F221 HydrophobicContact CG1-CD2 3.7Å; V128-F221 HydrophobicContact CG1-CE2 4.24Å
129	F	94.2	Very high	94.3	Very high	28 Å²	28	30.3 Å²	30.3	12%	0.123	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119	174.4	-166.6	-93.3	0	0	0	109.9	N127 K131 D155 F157 I218 E219 V220 F221	N127-F129 PolarHBondContact O-N 3.44Å; F129-K131 HydrophobicContact CD1-CG 4.19Å; F129-K131 HydrophobicContact CE1-CD 4.32Å; F129-K131 HydrophobicContact CE1-CG 3.85Å; F129-D155 HydrophobicContact CE1-CB 3.67Å; F129-D155 HydrophobicContact CZ-CB 3.8Å; F129-F157 HydrophobicContact CB-CD1 4.13Å; F129-F157 HydrophobicContact CB-CE1 3.96Å; F129-F157 AromaticContact CD2-CD1 3.89Å; F129-F157 HydrophobicContact CD2-CD1 3.89Å; F129-F157 AromaticContact CD2-CD2 3.94Å; F129-F157 HydrophobicContact CD2-CD2 3.94Å; F129-F157 AromaticContact CD2-CE1 3.77Å; F129-F157 HydrophobicContact CD2-CE1 3.77Å; F129-F157 AromaticContact CD2-CE2 3.81Å; F129-F157 HydrophobicContact CD2-CE2 3.81Å; F129-F157 AromaticContact CD2-CG 3.97Å; F129-F157 HydrophobicContact CD2-CG 3.97Å; F129-F157 AromaticContact CD2-CZ 3.73Å; F129-F157 HydrophobicContact CD2-CZ 3.73Å; F129-F157 HydrophobicContact CE2-CD2 4.29Å; F129-F157 HydrophobicContact CE2-CE2 4.15Å; F129-F157 HydrophobicContact CE2-CZ 4.44Å; F129-F157 HydrophobicContact CG-CE1 4.35Å; F129-I218 HydrophobicContact CB-CD1 3.72Å; F129-I218 HydrophobicContact CB-CG1 3.87Å; F129-I218 HydrophobicContact CG-CD1 4.2Å; F129-E219 PolarHBondContact N-O 2.97Å; F129-V220 VanDerWaalsContact O-CA 3.29Å; F129-V220 WeakPolarHBondContact O-CA 3.43Å; F129-F221 PolarHBondContact O-N 2.85Å
130	V	93.3	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.7	-177	178.7	0	0	0	0	109.5	V128 D155 G156 V158 P165 F221 F223	V128-V130 HydrophobicContact CG1-CG2 4.15Å; V130-D155 CarbonylContact O-C 3.55Å; V130-D155 WeakPolarHBondContact O-CA 3.26Å; V130-D155 WeakPolarHBondContact O-CB 3.12Å; V130-G156 PolarHBondContact N-O 3.37Å; V130-G156 PolarHBondContact O-N 3.15Å; V130-G156 VanDerWaalsContact O-N 3.09Å; V130-V158 HydrophobicContact CB-CG2 4.09Å; V130-V158 HydrophobicContact CG2-CB 3.96Å; V130-V158 HydrophobicContact CG2-CG2 3.56Å; V130-P165 WeakPolarHBondContact CG2-O 3.45Å; V130-F221 CarbonylContact C-O 3.5Å; V130-F221 WeakPolarHBondContact CA-O 3.25Å; V130-F221 HydrophobicContact CG2-CB 4.25Å; V130-F223 HydrophobicContact CG1-CD2 3.39Å; V130-F223 HydrophobicContact CG1-CE2 3.55Å; V130-F223 HydrophobicContact CG2-CE2 4.25Å
131	K	92.1	Very high	94	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.096	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.3	166.7	-77	173.2	176.2	-65.2	0	108.7	F129 Y151 Y153 F154 D155 F221 F222 F223	F129-K131 HydrophobicContact CD1-CG 4.19Å; F129-K131 HydrophobicContact CE1-CD 4.32Å; F129-K131 HydrophobicContact CE1-CG 3.85Å; K131-Y151 PolarHBondContact NZ-OH 3.07Å; K131-Y153 HydrophobicContact CB-CD1 4.09Å; K131-Y153 HydrophobicContact CB-CG 4.5Å; K131-F154 CarbonylContact C-O 3.6Å; K131-D155 HydrophobicContact CB-CB 4.34Å; K131-D155 HydrophobicContact CG-CB 3.59Å; K131-D155 IonicContact NZ-OD2 3.18Å; K131-D155 PolarHBondContact NZ-OD2 3.22Å; K131-F221 PolarHBondContact N-O 2.98Å; K131-F222 HydrophobicContact CB-CD1 3.69Å; K131-F222 HydrophobicContact CB-CE1 3.95Å; K131-F222 HydrophobicContact CB-CG 4.4Å; K131-F222 HydrophobicContact CD-CD1 3.9Å; K131-F222 HydrophobicContact CD-CE1 3.22Å; K131-F222 HydrophobicContact CD-CZ 3.72Å; K131-F222 HydrophobicContact CG-CD1 4.4Å; K131-F222 HydrophobicContact CG-CE1 4.16Å; K131-F222 CarbonylContact O-C 3.59Å; K131-F222 VanDerWaalsContact O-CA 3.31Å; K131-F222 WeakPolarHBondContact O-CA 3.28Å; K131-F223 PolarHBondContact O-N 3.46Å
132	A	93.4	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.2	179.4	0	0	0	0	0	110.6	F154 P167 L170 F223 I225	A132-F154 PolarHBondContact N-O 3.47Å; A132-F154 PolarHBondContact O-N 3.15Å; A132-P167 HydrophobicContact CB-CG 4.46Å; A132-L170 HydrophobicContact CB-CD2 3.89Å; A132-F223 WeakPolarHBondContact CA-O 3.29Å; A132-F223 HydrophobicContact CB-CB 4.49Å; A132-I225 HydrophobicContact CB-CD1 4.08Å
133	L	92.8	Very high	93.8	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.7	174.8	-175.2	69.3	0	0	0	109.6	V135 F144 A152 Y153 F223 I224 I225 L258	L133-V135 HydrophobicContact CD2-CG2 3.94Å; L133-V135 HydrophobicContact CG-CG2 3.97Å; L133-F144 HydrophobicContact CD1-CB 4.3Å; L133-F144 HydrophobicContact CD1-CD2 4.23Å; L133-A152 HydrophobicContact CD1-CB 3.91Å; L133-A152 WeakPolarHBondContact CD1-O 3.34Å; L133-Y153 HydrophobicContact CB-CD1 4.04Å; L133-Y153 HydrophobicContact CB-CE1 3.88Å; L133-Y153 HydrophobicContact CD1-CD1 4.38Å; L133-Y153 HydrophobicContact CD1-CE1 4.21Å; L133-Y153 HydrophobicContact CD2-CE1 4.45Å; L133-Y153 HydrophobicContact CG-CE1 4.4Å; L133-F223 PolarHBondContact N-O 2.91Å; L133-I224 WeakPolarHBondContact O-CA 2.9Å; L133-I225 PolarHBondContact O-N 3Å; L133-L258 HydrophobicContact CD2-CD1 4.15Å
134	L	95.6	Very high	93.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125	176.4	-66.3	85.9	0	0	0	109.7	F144 L145 F154 L170 I225 F233 L237 W247	L134-F144 VanDerWaalsContact O-CA 3.28Å; L134-F144 WeakPolarHBondContact O-CA 3.49Å; L134-L145 HydrophobicContact CB-CB 3.99Å; L134-L145 HydrophobicContact CD1-CD2 4.49Å; L134-L145 HydrophobicContact CD2-CD2 4.18Å; L134-L145 PolarHBondContact O-N 3.32Å; L134-F154 HydrophobicContact CD1-CD2 3.45Å; L134-F154 VanDerWaalsContact CD1-CD2 3.45Å; L134-F154 HydrophobicContact CD1-CE2 3.5Å; L134-L170 HydrophobicContact CD1-CD1 4.14Å; L134-L170 HydrophobicContact CD1-CD2 4.47Å; L134-I225 HydrophobicContact CG-CB 4.33Å; L134-F233 HydrophobicContact CD2-CD1 4.45Å; L134-F233 HydrophobicContact CD2-CE1 4.01Å; L134-L237 HydrophobicContact CD1-CD2 4.48Å; L134-L237 HydrophobicContact CD2-CD2 3.5Å; L134-L237 VanDerWaalsContact CD2-CD2 3.5Å; L134-W247 HydrophobicContact CB-CH2 4.13Å
135	V	94.6	Very high	93.4	Very high	24 Å²	24	48 Å²	48	15%	0.145	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.2	-174.7	178.5	0	0	0	0	110.7	L133 T142 Y143 I224 I225 P226 C227	L133-V135 HydrophobicContact CD2-CG2 3.94Å; L133-V135 HydrophobicContact CG-CG2 3.97Å; V135-T142 HydrophobicContact CG1-CG2 3.32Å; V135-Y143 CarbonylContact C-O 3.51Å; V135-Y143 VanDerWaalsContact CA-O 3.31Å; V135-Y143 WeakPolarHBondContact CA-O 3.05Å; V135-I224 HydrophobicContact CB-CG2 4.14Å; V135-I224 HydrophobicContact CG2-CG2 3.89Å; V135-I225 PolarHBondContact N-O 3.35Å; V135-P226 CarbonylContact O-C 3.52Å; V135-P226 WeakPolarHBondContact O-CA 3.12Å; V135-C227 PolarHBondContact O-N 3.03Å
136	W	94.9	Very high	93.1	Very high	25 Å²	25	48.2 Å²	48.2	10%	0.095	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.3	178.5	-155.4	-26.1	0	0	0	111.1	R138 Y143 C227 K235 W247	W136-R138 VanDerWaalsContact CD1-CG 3.43Å; W136-R138 HydrophobicContact CD2-CG 4.45Å; W136-R138 HydrophobicContact CG-CG 3.94Å; W136-Y143 PolarHBondContact N-O 3.14Å; W136-Y143 PolarHBondContact O-N 3.12Å; W136-C227 HydrophobicContact CB-CB 3.95Å; W136-C227 HydrophobicContact CD2-CB 3.87Å; W136-C227 HydrophobicContact CE3-CB 4.04Å; W136-C227 HydrophobicContact CG-CB 3.85Å; W136-K235 HydrophobicContact CH2-CG 4.11Å; W136-W247 HydrophobicContact CB-CE3 4.06Å; W136-W247 HydrophobicContact CB-CH2 4.05Å; W136-W247 HydrophobicContact CB-CZ3 3.71Å; W136-W247 HydrophobicContact CE3-CD2 4.2Å; W136-W247 AromaticContact CE3-CE2 3.56Å; W136-W247 AromaticContact CE3-CH2 3.96Å; W136-W247 HydrophobicContact CE3-CH2 3.96Å; W136-W247 AromaticContact CE3-CZ2 3.45Å; W136-W247 HydrophobicContact CE3-CZ2 3.45Å; W136-W247 VanDerWaalsContact CE3-CZ2 3.45Å; W136-W247 HydrophobicContact CE3-CZ3 4.49Å; W136-W247 AromaticContact CE3-NE1 3.95Å; W136-W247 AromaticContact CZ3-CZ2 4Å; W136-W247 HydrophobicContact CZ3-CZ2 4Å
137	K	91.9	Very high	92.7	Very high	137 Å²	137	48.8 Å²	48.8	60%	0.596	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.4	168.1	-170.6	174	-179.8	178.5	0	109.3
138	R	88.6	Confident	92.2	Very high	108 Å²	108	56.4 Å²	56.4	41%	0.408	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.7	177.4	-62.4	-178.1	175.5	-176.3	-1.5	109.1	W136 R140 S141 Y143	W136-R138 VanDerWaalsContact CD1-CG 3.43Å; W136-R138 HydrophobicContact CD2-CG 4.45Å; W136-R138 HydrophobicContact CG-CG 3.94Å; R138-R140 PolarHBondContact O-N 3.24Å; R138-S141 CarbonylContact C-O 3.56Å; R138-S141 PolarHBondContact N-O 3.27Å; R138-S141 PolarHBondContact O-N 3.29Å; R138-Y143 HydrophobicContact CB-CD2 4.26Å; R138-Y143 HydrophobicContact CB-CE2 3.98Å; R138-Y143 HydrophobicContact CG-CD2 4.34Å; R138-Y143 HydrophobicContact CG-CE2 4.46Å
139	K	86.9	Confident	91.7	Very high	210 Å²	210	61.1 Å²	61.1	91%	0.913	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	-121.9	-174.6	-57.8	-178.1	177.9	-177.6	0	110.3
140	R	88.8	Confident	91.3	Very high	256 Å²	256	62 Å²	62	97%	0.966	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	4.3	-179.1	-61.4	-175.6	180	174.9	-0.3	114.3	R138	R138-R140 PolarHBondContact O-N 3.24Å
141	S	91.5	Very high	91	Very high	37 Å²	37	65.4 Å²	65.4	26%	0.259	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.5	-176.1	-62.4	0	0	0	0	111.9	R138	R138-S141 CarbonylContact C-O 3.56Å; R138-S141 PolarHBondContact N-O 3.27Å; R138-S141 PolarHBondContact O-N 3.29Å
142	T	92.6	Very high	90.9	Very high	45 Å²	45	64.7 Å²	64.7	28%	0.276	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.5	170.7	-60.6	0	0	0	0	108.7	V135 L250	V135-T142 HydrophobicContact CG1-CG2 3.32Å; T142-L250 HydrophobicContact CG2-CB 4.12Å; T142-L250 HydrophobicContact CG2-CD2 3.77Å; T142-L250 WeakPolarHBondContact O-CB 3.28Å; T142-L250 PolarHBondContact O-N 2.76Å
143	Y	94.2	Very high	90.7	Very high	65 Å²	65	64.9 Å²	64.9	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.1	177.7	-59.3	-97.6	0	0	0	109.4	V135 W136 R138 K248 R249	V135-Y143 CarbonylContact C-O 3.51Å; V135-Y143 VanDerWaalsContact CA-O 3.31Å; V135-Y143 WeakPolarHBondContact CA-O 3.05Å; W136-Y143 PolarHBondContact N-O 3.14Å; W136-Y143 PolarHBondContact O-N 3.12Å; R138-Y143 HydrophobicContact CB-CD2 4.26Å; R138-Y143 HydrophobicContact CB-CE2 3.98Å; R138-Y143 HydrophobicContact CG-CD2 4.34Å; R138-Y143 HydrophobicContact CG-CE2 4.46Å; Y143-K248 CarbonylContact C-O 3.59Å; Y143-K248 WeakPolarHBondContact CA-O 3.47Å; Y143-R249 HydrophobicContact CD1-CB 4.17Å; Y143-R249 HydrophobicContact CE1-CB 4Å; Y143-R249 HydrophobicContact CE1-CG 4.28Å
144	F	93.9	Very high	90.7	Very high	11 Å²	11	64.3 Å²	64.3	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.1	172.5	69.7	-68.9	0	0	0	109.7	L133 L134 V146 A152 W247 K248 L250 I254 L258	L133-F144 HydrophobicContact CD1-CB 4.3Å; L133-F144 HydrophobicContact CD1-CD2 4.23Å; L134-F144 VanDerWaalsContact O-CA 3.28Å; L134-F144 WeakPolarHBondContact O-CA 3.49Å; F144-V146 HydrophobicContact CD2-CG2 3.53Å; F144-V146 HydrophobicContact CE1-CG2 4.42Å; F144-V146 HydrophobicContact CE2-CG2 3.11Å; F144-V146 HydrophobicContact CG-CG2 4.39Å; F144-V146 HydrophobicContact CZ-CG2 3.6Å; F144-A152 HydrophobicContact CD2-CB 3.85Å; F144-A152 HydrophobicContact CE2-CB 3.82Å; F144-W247 VanDerWaalsContact C-CE3 3.48Å; F144-W247 WeakPolarHBondContact O-CA 3.26Å; F144-K248 HydrophobicContact CD1-CB 4.24Å; F144-K248 WeakPolarHBondContact CD1-O 3.17Å; F144-K248 HydrophobicContact CE1-CB 3.55Å; F144-K248 HydrophobicContact CZ-CB 3.85Å; F144-K248 PolarHBondContact N-O 2.9Å; F144-K248 PolarHBondContact O-N 3.32Å; F144-L250 HydrophobicContact CD1-CB 4.24Å; F144-L250 HydrophobicContact CD1-CD1 3.92Å; F144-L250 HydrophobicContact CE1-CD1 4.36Å; F144-L250 HydrophobicContact CG-CD1 4.45Å; F144-I254 HydrophobicContact CD1-CG2 4.33Å; F144-I254 HydrophobicContact CE1-CD1 4.16Å; F144-I254 HydrophobicContact CE1-CG2 3.49Å; F144-I254 VanDerWaalsContact CE1-CG2 3.49Å; F144-I254 HydrophobicContact CE2-CG2 4.22Å; F144-I254 HydrophobicContact CZ-CD1 4.43Å; F144-I254 HydrophobicContact CZ-CG2 3.41Å; F144-I254 VanDerWaalsContact CZ-CG2 3.41Å; F144-L258 HydrophobicContact CD2-CD1 4.09Å; F144-L258 HydrophobicContact CE2-CD1 4.21Å; F144-L258 HydrophobicContact CE2-CD2 4.31Å; F144-L258 HydrophobicContact CG-CD1 4.35Å
145	L	93.7	Very high	90.5	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.8	179.8	-164.7	64.3	0	0	0	109.9	L134 F154 L237 T238 F245 W247	L134-L145 HydrophobicContact CB-CB 3.99Å; L134-L145 HydrophobicContact CD1-CD2 4.49Å; L134-L145 HydrophobicContact CD2-CD2 4.18Å; L134-L145 PolarHBondContact O-N 3.32Å; L145-F154 HydrophobicContact CD2-CE2 4.15Å; L145-F154 HydrophobicContact CD2-CZ 4.39Å; L145-L237 HydrophobicContact CD2-CD2 3.63Å; L145-L237 HydrophobicContact CD2-CG 4.43Å; L145-T238 HydrophobicContact CD1-CG2 3.55Å; L145-T238 HydrophobicContact CD2-CG2 3.89Å; L145-T238 HydrophobicContact CG-CG2 4.4Å; L145-F245 HydrophobicContact CD1-CB 3.63Å; L145-F245 HydrophobicContact CD2-CB 4.08Å; L145-F245 HydrophobicContact CD2-CD1 4.44Å; L145-F245 HydrophobicContact CD2-CG 4.19Å; L145-F245 HydrophobicContact CG-CB 3.92Å; L145-F245 HydrophobicContact CG-CG 4.45Å; L145-W247 HydrophobicContact CB-CE3 4.31Å; L145-W247 HydrophobicContact CB-CH2 3.91Å; L145-W247 HydrophobicContact CB-CZ2 4.3Å; L145-W247 HydrophobicContact CB-CZ3 3.93Å; L145-W247 HydrophobicContact CD1-CD2 3.95Å; L145-W247 HydrophobicContact CD1-CE3 4.4Å; L145-W247 HydrophobicContact CD1-CG 4.3Å; L145-W247 HydrophobicContact CD1-CH2 4.32Å; L145-W247 HydrophobicContact CD1-CZ2 3.87Å; L145-W247 HydrophobicContact CG-CZ2 4.5Å
146	V	91.3	Very high	90.4	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.8	178.6	-169.7	0	0	0	0	108.9	F144 G150 F245 Q246 K248	F144-V146 HydrophobicContact CD2-CG2 3.53Å; F144-V146 HydrophobicContact CE1-CG2 4.42Å; F144-V146 HydrophobicContact CE2-CG2 3.11Å; F144-V146 HydrophobicContact CG-CG2 4.39Å; F144-V146 HydrophobicContact CZ-CG2 3.6Å; V146-G150 WeakPolarHBondContact CG1-O 3.36Å; V146-F245 CarbonylContact O-C 3.45Å; V146-F245 VanDerWaalsContact O-CA 3.32Å; V146-F245 WeakPolarHBondContact O-CA 3.23Å; V146-Q246 PolarHBondContact N-O 2.63Å; V146-Q246 PolarHBondContact O-N 2.83Å; V146-K248 HydrophobicContact CB-CD 4.37Å; V146-K248 HydrophobicContact CB-CG 4.46Å; V146-K248 HydrophobicContact CG2-CB 4.1Å; V146-K248 HydrophobicContact CG2-CD 3.94Å; V146-K248 HydrophobicContact CG2-CG 3.94Å
147	Q	89.9	Confident	90.4	Very high	20 Å²	20	65.9 Å²	65.9	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	163.5	173.4	-57.1	-176.1	51.4	0	0	110.7	N149 G150 Y151 Y153 Q244 F245	Q147-N149 WeakPolarHBondContact CB-OD1 3.44Å; Q147-N149 PolarHBondContact O-N 3.11Å; Q147-G150 WeakPolarHBondContact O-CA 3.34Å; Q147-G150 PolarHBondContact O-N 2.69Å; Q147-Y151 WeakPolarHBondContact CB-O 3.21Å; Q147-Y151 WeakPolarHBondContact CG-O 3.02Å; Q147-Y151 PolarHBondContact N-O 3.2Å; Q147-Y153 PolarHBondContact NE2-O 3.47Å; Q147-Q244 CarbonylContact C-O 3.59Å; Q147-Q244 WeakPolarHBondContact CA-O 3.23Å; Q147-F245 HydrophobicContact CB-CD1 4.49Å; Q147-F245 HydrophobicContact CG-CD1 4.01Å; Q147-F245 HydrophobicContact CG-CE1 3.93Å
148	E	86.1	Confident	90.5	Very high	162 Å²	162	59.8 Å²	59.8	76%	0.757	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.4	179.4	-172.4	176.1	-174.2	0	0	113.4	G150 Q244	E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.11Å; E148-Q244 PolarHBondContact N-O 3.13Å
149	N	84.9	Confident	90.9	Very high	113 Å²	113	57.3 Å²	57.3	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	3.9	176.3	68.9	0.8	0	0	0	114.5	Q147 Y151	Q147-N149 WeakPolarHBondContact CB-OD1 3.44Å; Q147-N149 PolarHBondContact O-N 3.11Å; N149-Y151 VanDerWaalsContact C-N 3.31Å; N149-Y151 PolarHBondContact O-N 3.19Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.19Å; N149-Y151 PolarHBondContact OD1-N 2.8Å
150	G	85.9	Confident	91.3	Very high	46 Å²	46	48.2 Å²	48.2	47%	0.474	24%	0.242	S	C	.	.	S	Bend	trans	84.6	-3.5	-177.8	0	0	0	0	0	114.9	V146 Q147 E148	V146-G150 WeakPolarHBondContact CG1-O 3.36Å; Q147-G150 WeakPolarHBondContact O-CA 3.34Å; Q147-G150 PolarHBondContact O-N 2.69Å; E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.11Å
151	Y	87.4	Confident	91.4	Very high	73 Å²	73	37 Å²	37	29%	0.286	20%	0.201	S	C	.	.			trans	-78.3	130.5	-178.8	-166.1	-125.5	0	0	0	111.9	K131 Q147 N149 Y153 D155	K131-Y151 PolarHBondContact NZ-OH 3.07Å; Q147-Y151 WeakPolarHBondContact CB-O 3.21Å; Q147-Y151 WeakPolarHBondContact CG-O 3.02Å; Q147-Y151 PolarHBondContact N-O 3.2Å; N149-Y151 VanDerWaalsContact C-N 3.31Å; N149-Y151 PolarHBondContact O-N 3.19Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.19Å; N149-Y151 PolarHBondContact OD1-N 2.8Å; Y151-Y153 WeakPolarHBondContact CD1-O 3.13Å; Y151-Y153 WeakPolarHBondContact CE1-O 3.15Å; Y151-Y153 HydrophobicContact CE2-CD2 4.08Å; Y151-D155 PolarHBondContact OH-OD2 3.31Å
152	A	89	Confident	91.4	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	21%	0.214	C	C	.	.			trans	-91.6	-22.3	-172.6	0	0	0	0	0	114.4	L133 F144 L258	L133-A152 HydrophobicContact CD1-CB 3.91Å; L133-A152 WeakPolarHBondContact CD1-O 3.34Å; F144-A152 HydrophobicContact CD2-CB 3.85Å; F144-A152 HydrophobicContact CE2-CB 3.82Å; A152-L258 HydrophobicContact CB-CD2 3.59Å
153	Y	90.2	Very high	91.4	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.016	23%	0.234	C	C	.	.			trans	-97.6	146	-173.5	-60.7	-83.7	0	0	0	111.2	K131 L133 Q147 Y151 L258 M262	K131-Y153 HydrophobicContact CB-CD1 4.09Å; K131-Y153 HydrophobicContact CB-CG 4.5Å; L133-Y153 HydrophobicContact CB-CD1 4.04Å; L133-Y153 HydrophobicContact CB-CE1 3.88Å; L133-Y153 HydrophobicContact CD1-CD1 4.38Å; L133-Y153 HydrophobicContact CD1-CE1 4.21Å; L133-Y153 HydrophobicContact CD2-CE1 4.45Å; L133-Y153 HydrophobicContact CG-CE1 4.4Å; Q147-Y153 PolarHBondContact NE2-O 3.47Å; Y151-Y153 WeakPolarHBondContact CD1-O 3.13Å; Y151-Y153 WeakPolarHBondContact CE1-O 3.15Å; Y151-Y153 HydrophobicContact CE2-CD2 4.08Å; Y153-L258 HydrophobicContact CE2-CD2 3.94Å; Y153-L258 WeakPolarHBondContact OH-CB 3.3Å; Y153-L258 PolarHBondContact OH-O 2.81Å; Y153-M262 HydrophobicContact CE1-CE 4.36Å; Y153-M262 HydrophobicContact CE1-CG 4.14Å; Y153-M262 HydrophobicContact CE1-SD 4.4Å; Y153-M262 WeakPolarHBondContact OH-CG 3.37Å; Y153-M262 PolarHBondContact OH-SD 3.4Å
154	F	92.2	Very high	91.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.7	155	-66.7	-98.5	0	0	0	107.5	K131 A132 L134 L145 P167 L170 F173 L237 F245	K131-F154 CarbonylContact C-O 3.6Å; A132-F154 PolarHBondContact N-O 3.47Å; A132-F154 PolarHBondContact O-N 3.15Å; L134-F154 HydrophobicContact CD1-CD2 3.45Å; L134-F154 VanDerWaalsContact CD1-CD2 3.45Å; L134-F154 HydrophobicContact CD1-CE2 3.5Å; L145-F154 HydrophobicContact CD2-CE2 4.15Å; L145-F154 HydrophobicContact CD2-CZ 4.39Å; F154-P167 HydrophobicContact CB-CG 4.07Å; F154-P167 WeakPolarHBondContact O-CG 3.44Å; F154-L170 HydrophobicContact CB-CB 3.75Å; F154-L170 HydrophobicContact CB-CD2 4.3Å; F154-L170 HydrophobicContact CB-CG 4.41Å; F154-L170 HydrophobicContact CD1-CB 3.86Å; F154-L170 HydrophobicContact CD1-CD1 4.02Å; F154-L170 HydrophobicContact CD2-CD1 4.03Å; F154-L170 HydrophobicContact CE1-CD1 4.2Å; F154-L170 HydrophobicContact CE2-CD1 4.23Å; F154-L170 HydrophobicContact CG-CB 3.87Å; F154-L170 HydrophobicContact CG-CD1 3.93Å; F154-L170 HydrophobicContact CG-CD2 4.49Å; F154-L170 HydrophobicContact CG-CG 4.3Å; F154-L170 HydrophobicContact CZ-CD1 4.29Å; F154-F173 HydrophobicContact CD1-CD2 4.43Å; F154-F173 AromaticContact CE1-CD2 3.88Å; F154-F173 HydrophobicContact CE1-CD2 3.88Å; F154-F173 HydrophobicContact CE1-CE2 4.41Å; F154-L237 HydrophobicContact CE2-CD2 4.36Å; F154-L237 HydrophobicContact CZ-CD2 4.1Å; F154-F245 AromaticContact CE1-CE1 3.89Å; F154-F245 HydrophobicContact CE1-CE1 3.89Å; F154-F245 HydrophobicContact CE1-CZ 4.08Å; F154-F245 HydrophobicContact CZ-CD1 4.04Å; F154-F245 AromaticContact CZ-CE1 3.51Å; F154-F245 HydrophobicContact CZ-CE1 3.51Å; F154-F245 AromaticContact CZ-CZ 3.94Å; F154-F245 HydrophobicContact CZ-CZ 3.94Å
155	D	92.5	Very high	91.4	Very high	32 Å²	32	45.7 Å²	45.7	17%	0.171	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	166.3	-177.6	64	12	0	0	0	115.3	F129 V130 K131 Y151 N169	F129-D155 HydrophobicContact CE1-CB 3.67Å; F129-D155 HydrophobicContact CZ-CB 3.8Å; V130-D155 CarbonylContact O-C 3.55Å; V130-D155 WeakPolarHBondContact O-CA 3.26Å; V130-D155 WeakPolarHBondContact O-CB 3.12Å; K131-D155 HydrophobicContact CB-CB 4.34Å; K131-D155 HydrophobicContact CG-CB 3.59Å; K131-D155 IonicContact NZ-OD2 3.18Å; K131-D155 PolarHBondContact NZ-OD2 3.22Å; Y151-D155 PolarHBondContact OH-OD2 3.31Å; D155-N169 PolarHBondContact N-ND2 3.13Å; D155-N169 PolarHBondContact O-ND2 3.5Å; D155-N169 VanDerWaalsContact O-ND2 3.11Å; D155-N169 PolarHBondContact O-OD1 3.39Å
156	G	91.6	Very high	91.5	Very high	16 Å²	16	45.8 Å²	45.8	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159	167.9	178.5	0	0	0	0	0	113.2	V130	V130-G156 PolarHBondContact N-O 3.37Å; V130-G156 PolarHBondContact O-N 3.15Å; V130-G156 VanDerWaalsContact O-N 3.09Å
157	F	94.7	Very high	91.6	Very high	35 Å²	35	45.6 Å²	45.6	15%	0.154	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.4	174	-70.6	-74.6	0	0	0	111.8	W62 F121 P122 N127 V128 F129 W211	W62-F157 HydrophobicContact CD2-CD2 4.25Å; W62-F157 HydrophobicContact CD2-CE2 4.49Å; W62-F157 AromaticContact CE2-CE2 3.87Å; W62-F157 HydrophobicContact CE3-CD2 4.16Å; W62-F157 AromaticContact CH2-CD2 3.85Å; W62-F157 HydrophobicContact CH2-CD2 3.85Å; W62-F157 AromaticContact CH2-CE2 3.57Å; W62-F157 HydrophobicContact CH2-CE2 3.57Å; W62-F157 AromaticContact CZ2-CD2 3.93Å; W62-F157 HydrophobicContact CZ2-CD2 3.93Å; W62-F157 AromaticContact CZ2-CE2 3.41Å; W62-F157 HydrophobicContact CZ2-CE2 3.41Å; W62-F157 VanDerWaalsContact CZ2-CE2 3.41Å; W62-F157 HydrophobicContact CZ2-CZ 4.49Å; W62-F157 AromaticContact CZ3-CD2 3.96Å; W62-F157 HydrophobicContact CZ3-CD2 3.96Å; W62-F157 HydrophobicContact CZ3-CE2 4.17Å; F121-F157 AromaticContact CD1-CE1 3.9Å; F121-F157 HydrophobicContact CD1-CE1 3.9Å; F121-F157 AromaticContact CD1-CZ 3.76Å; F121-F157 HydrophobicContact CD1-CZ 3.76Å; F121-F157 HydrophobicContact CE1-CE1 4.09Å; F121-F157 AromaticContact CE1-CZ 3.96Å; F121-F157 HydrophobicContact CE1-CZ 3.96Å; P122-F157 HydrophobicContact CG-CB 4.22Å; P122-F157 HydrophobicContact CG-CD1 4.18Å; P122-F157 HydrophobicContact CG-CD2 4.07Å; P122-F157 HydrophobicContact CG-CG 3.88Å; N127-F157 HydrophobicContact CB-CD1 4.1Å; N127-F157 HydrophobicContact CB-CE1 3.79Å; V128-F157 CarbonylContact O-C 3.52Å; V128-F157 WeakPolarHBondContact O-CA 2.94Å; F129-F157 HydrophobicContact CB-CD1 4.13Å; F129-F157 HydrophobicContact CB-CE1 3.96Å; F129-F157 AromaticContact CD2-CD1 3.89Å; F129-F157 HydrophobicContact CD2-CD1 3.89Å; F129-F157 AromaticContact CD2-CD2 3.94Å; F129-F157 HydrophobicContact CD2-CD2 3.94Å; F129-F157 AromaticContact CD2-CE1 3.77Å; F129-F157 HydrophobicContact CD2-CE1 3.77Å; F129-F157 AromaticContact CD2-CE2 3.81Å; F129-F157 HydrophobicContact CD2-CE2 3.81Å; F129-F157 AromaticContact CD2-CG 3.97Å; F129-F157 HydrophobicContact CD2-CG 3.97Å; F129-F157 AromaticContact CD2-CZ 3.73Å; F129-F157 HydrophobicContact CD2-CZ 3.73Å; F129-F157 HydrophobicContact CE2-CD2 4.29Å; F129-F157 HydrophobicContact CE2-CE2 4.15Å; F129-F157 HydrophobicContact CE2-CZ 4.44Å; F129-F157 HydrophobicContact CG-CE1 4.35Å; F157-W211 HydrophobicContact CE2-CZ3 4.28Å; F157-W211 HydrophobicContact CZ-CE3 4.49Å; F157-W211 HydrophobicContact CZ-CZ3 4.17Å
158	V	95.4	Very high	91.7	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	26%	0.26	C	S	.	.			trans	-124.5	124.6	177.2	171.5	0	0	0	0	108.7	V128 V130 N164	V128-V158 PolarHBondContact O-N 3.13Å; V130-V158 HydrophobicContact CB-CG2 4.09Å; V130-V158 HydrophobicContact CG2-CB 3.96Å; V130-V158 HydrophobicContact CG2-CG2 3.56Å; V158-N164 WeakPolarHBondContact CG1-O 3.41Å
159	N	95.9	Very high	92	Very high	55 Å²	55	44.1 Å²	44.1	29%	0.294	23%	0.233	S	C	.	.	S	Bend	trans	-71.8	-31.2	-179	-72	-16.6	0	0	0	112.9	K84 V85 D86 R123	K84-N159 VanDerWaalsContact O-CB 3.3Å; K84-N159 WeakPolarHBondContact O-CB 3.15Å; V85-N159 HydrophobicContact CG2-CB 4.36Å; D86-N159 PolarHBondContact N-O 2.84Å; R123-N159 PolarHBondContact NE-OD1 2.88Å; R123-N159 PolarHBondContact NH2-ND2 2.81Å; R123-N159 VanDerWaalsContact NH2-ND2 3.15Å; R123-N159 PolarHBondContact NH2-OD1 2.83Å; R123-N159 VanDerWaalsContact NH2-OD1 3.09Å
160	N	94.8	Very high	92.4	Very high	20 Å²	20	38.8 Å²	38.8	11%	0.107	20%	0.204	C	C	.	.			trans	-149.2	101.3	-177.3	-177	-34.2	0	0	0	109.1	D86 D162 K163 N164	D86-N160 HydrophobicContact CB-CB 4.22Å; N160-D162 PolarHBondContact OD1-N 2.89Å; N160-K163 HydrophobicContact CB-CB 4.45Å; N160-K163 PolarHBondContact O-N 2.66Å; N160-K163 PolarHBondContact OD1-N 3.39Å; N160-N164 CarbonylContact O-C 3.5Å; N160-N164 PolarHBondContact O-N 3.09Å
161	V	92.4	Very high	92.8	Very high	20 Å²	20	39.8 Å²	39.8	12%	0.121	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.5	-176.2	70.1	0	0	0	0	111.9	V128 K163 P165 F221 F223	V128-V161 HydrophobicContact CG1-CB 4.49Å; V161-K163 VanDerWaalsContact C-N 3.31Å; V161-K163 PolarHBondContact O-N 2.92Å; V161-P165 HydrophobicContact CG2-CB 3.89Å; V161-P165 WeakPolarHBondContact O-CA 3.01Å; V161-P165 VanDerWaalsContact O-CB 3.26Å; V161-P165 WeakPolarHBondContact O-CB 3.49Å; V161-P165 VanDerWaalsContact O-CD 3.3Å; V161-P165 WeakPolarHBondContact O-CD 3.34Å; V161-F221 HydrophobicContact CB-CD2 4.45Å; V161-F221 HydrophobicContact CB-CE2 4.19Å; V161-F221 HydrophobicContact CG1-CE2 3.83Å; V161-F221 HydrophobicContact CG1-CZ 4.38Å; V161-F221 HydrophobicContact CG2-CD2 3.8Å; V161-F221 HydrophobicContact CG2-CE2 3.81Å; V161-F221 HydrophobicContact CG2-CG 4.4Å; V161-F221 HydrophobicContact CG2-CZ 4.43Å; V161-F223 HydrophobicContact CG2-CE2 4.5Å; V161-F223 HydrophobicContact CG2-CZ 4.11Å
162	D	91	Very high	93	Very high	96 Å²	96	39.5 Å²	39.5	51%	0.513	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38.3	179.4	-64.2	-10	0	0	0	111.7	K81 R88 N160	K81-D162 VanDerWaalsContact CE-OD2 3.23Å; K81-D162 WeakPolarHBondContact CE-OD2 3.48Å; K81-D162 IonicContact NZ-OD2 2.81Å; K81-D162 PolarHBondContact NZ-OD2 2.65Å; R88-D162 IonicContact NH2-OD2 3.09Å; R88-D162 PolarHBondContact NH2-OD2 3.32Å; N160-D162 PolarHBondContact OD1-N 2.89Å
163	K	91.7	Very high	93.1	Very high	161 Å²	161	40.9 Å²	40.9	70%	0.7	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-32.5	-177.5	-171.3	173.1	-176.7	170.9	0	113.2	N160 V161	N160-K163 HydrophobicContact CB-CB 4.45Å; N160-K163 PolarHBondContact O-N 2.66Å; N160-K163 PolarHBondContact OD1-N 3.39Å; V161-K163 VanDerWaalsContact C-N 3.31Å; V161-K163 PolarHBondContact O-N 2.92Å
164	N	92.6	Very high	93.3	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	20%	0.199	S	C	.	.			trans	-150.8	63.5	-164.4	-90.8	-55.1	0	0	0	110.9	V158 N160 L166 R171	V158-N164 WeakPolarHBondContact CG1-O 3.41Å; N160-N164 CarbonylContact O-C 3.5Å; N160-N164 PolarHBondContact O-N 3.09Å; N164-L166 VanDerWaalsContact C-N 3.3Å; N164-L166 PolarHBondContact O-N 3.1Å; N164-R171 VanDerWaalsContact CB-NH1 3.31Å; N164-R171 PolarHBondContact OD1-NH1 2.99Å
165	P	95.6	Very high	93.4	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.058	22%	0.223	C	C	.	.			trans	-69.5	-24.4	-166.6	25.5	-34	0	0	0	114.1	V130 V161 V196 M199 F223	V130-P165 WeakPolarHBondContact CG2-O 3.45Å; V161-P165 HydrophobicContact CG2-CB 3.89Å; V161-P165 WeakPolarHBondContact O-CA 3.01Å; V161-P165 VanDerWaalsContact O-CB 3.26Å; V161-P165 WeakPolarHBondContact O-CB 3.49Å; V161-P165 VanDerWaalsContact O-CD 3.3Å; V161-P165 WeakPolarHBondContact O-CD 3.34Å; P165-V196 HydrophobicContact CG-CG1 4.17Å; P165-V196 HydrophobicContact CG-CG2 3.66Å; P165-M199 HydrophobicContact CB-CE 3.75Å; P165-M199 HydrophobicContact CG-CE 3.75Å; P165-M199 HydrophobicContact CG-SD 4.48Å; P165-F223 HydrophobicContact CB-CE2 4.04Å; P165-F223 HydrophobicContact CB-CZ 4.12Å
166	L	96.2	Very high	93.4	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-79.8	141.6	-175.5	-60.7	-178.3	0	0	0	111.9	N164 L170 R171 F192 V195 M199 I225 F233	N164-L166 VanDerWaalsContact C-N 3.3Å; N164-L166 PolarHBondContact O-N 3.1Å; L166-L170 HydrophobicContact CD2-CD2 4.23Å; L166-R171 HydrophobicContact CB-CG 3.57Å; L166-R171 HydrophobicContact CD1-CG 4.27Å; L166-R171 VanDerWaalsContact O-CZ 3.3Å; L166-R171 PolarHBondContact O-NE 3.48Å; L166-R171 PolarHBondContact O-NH2 3.02Å; L166-F192 HydrophobicContact CD1-CD1 3.96Å; L166-F192 HydrophobicContact CD1-CE1 4.13Å; L166-V195 HydrophobicContact CD1-CG1 3.97Å; L166-V195 HydrophobicContact CD2-CG1 4.31Å; L166-M199 HydrophobicContact CD2-SD 4.31Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å; L166-F233 HydrophobicContact CD1-CZ 4.4Å
167	P	94	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.			trans	-64.1	152	176.1	29.7	-34.8	0	0	0	110.5	A132 F154 N169 L170 R171	A132-P167 HydrophobicContact CB-CG 4.46Å; F154-P167 HydrophobicContact CB-CG 4.07Å; F154-P167 WeakPolarHBondContact O-CG 3.44Å; P167-N169 WeakPolarHBondContact CB-OD1 3.18Å; P167-N169 PolarHBondContact O-N 2.96Å; P167-L170 HydrophobicContact CG-CB 4.02Å; P167-L170 PolarHBondContact O-N 2.94Å; P167-R171 PolarHBondContact O-N 3.04Å; P167-R171 VanDerWaalsContact O-N 3.14Å
168	K	92.6	Very high	93.4	Very high	117 Å²	117	45.3 Å²	45.3	51%	0.509	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-41.3	-170	-175.5	-174.7	171	-161.9	0	112.7	R171 Q172	K168-R171 PolarHBondContact O-N 2.85Å; K168-Q172 WeakPolarHBondContact O-CB 3.18Å; K168-Q172 PolarHBondContact O-N 2.98Å
169	N	90.6	Very high	93.4	Very high	35 Å²	35	48.3 Å²	48.3	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-56.6	-51.3	176.7	53.3	-5.8	0	0	0	111.7	D155 P167 R171 Q172 F173	D155-N169 PolarHBondContact N-ND2 3.13Å; D155-N169 PolarHBondContact O-ND2 3.5Å; D155-N169 VanDerWaalsContact O-ND2 3.11Å; D155-N169 PolarHBondContact O-OD1 3.39Å; P167-N169 WeakPolarHBondContact CB-OD1 3.18Å; P167-N169 PolarHBondContact O-N 2.96Å; N169-R171 PolarHBondContact O-N 3.46Å; N169-Q172 PolarHBondContact O-N 3.02Å; N169-F173 HydrophobicContact CB-CD2 4.45Å; N169-F173 HydrophobicContact CB-CE2 4.34Å; N169-F173 WeakPolarHBondContact O-CD2 3.31Å; N169-F173 PolarHBondContact O-N 3.34Å
170	L	94	Very high	93.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-45.5	178.8	-179.8	56.2	0	0	0	112	A132 L134 F154 L166 P167 Q172 A174 I225 F233 L237	A132-L170 HydrophobicContact CB-CD2 3.89Å; L134-L170 HydrophobicContact CD1-CD1 4.14Å; L134-L170 HydrophobicContact CD1-CD2 4.47Å; F154-L170 HydrophobicContact CB-CB 3.75Å; F154-L170 HydrophobicContact CB-CD2 4.3Å; F154-L170 HydrophobicContact CB-CG 4.41Å; F154-L170 HydrophobicContact CD1-CB 3.86Å; F154-L170 HydrophobicContact CD1-CD1 4.02Å; F154-L170 HydrophobicContact CD2-CD1 4.03Å; F154-L170 HydrophobicContact CE1-CD1 4.2Å; F154-L170 HydrophobicContact CE2-CD1 4.23Å; F154-L170 HydrophobicContact CG-CB 3.87Å; F154-L170 HydrophobicContact CG-CD1 3.93Å; F154-L170 HydrophobicContact CG-CD2 4.49Å; F154-L170 HydrophobicContact CG-CG 4.3Å; F154-L170 HydrophobicContact CZ-CD1 4.29Å; L166-L170 HydrophobicContact CD2-CD2 4.23Å; P167-L170 HydrophobicContact CG-CB 4.02Å; P167-L170 PolarHBondContact O-N 2.94Å; L170-Q172 VanDerWaalsContact C-N 3.3Å; L170-Q172 PolarHBondContact O-N 3.27Å; L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 3.23Å; L170-I225 HydrophobicContact CD2-CD1 3.64Å; L170-F233 HydrophobicContact CD1-CE1 4.2Å; L170-F233 HydrophobicContact CD1-CZ 3.92Å; L170-F233 HydrophobicContact CD2-CZ 4.33Å; L170-F233 HydrophobicContact CG-CZ 4Å; L170-L237 HydrophobicContact CD1-CD1 4.31Å; L170-L237 HydrophobicContact CD1-CD2 3.84Å
171	R	93.7	Very high	93.1	Very high	68 Å²	68	53.3 Å²	53.3	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-41.9	177	-73.2	-174.7	-69.6	178.5	-4.9	111.9	N164 L166 P167 K168 N169 K175 F192	N164-R171 VanDerWaalsContact CB-NH1 3.31Å; N164-R171 PolarHBondContact OD1-NH1 2.99Å; L166-R171 HydrophobicContact CB-CG 3.57Å; L166-R171 HydrophobicContact CD1-CG 4.27Å; L166-R171 VanDerWaalsContact O-CZ 3.3Å; L166-R171 PolarHBondContact O-NE 3.48Å; L166-R171 PolarHBondContact O-NH2 3.02Å; P167-R171 PolarHBondContact O-N 3.04Å; P167-R171 VanDerWaalsContact O-N 3.14Å; K168-R171 PolarHBondContact O-N 2.85Å; N169-R171 PolarHBondContact O-N 3.46Å; R171-K175 WeakPolarHBondContact O-CB 3.27Å; R171-K175 PolarHBondContact O-N 3.09Å; R171-F192 HydrophobicContact CB-CE1 4.41Å; R171-F192 HydrophobicContact CB-CZ 4.48Å; R171-F192 HydrophobicContact CG-CE1 4.11Å
172	Q	92.3	Very high	93.2	Very high	66 Å²	66	55.3 Å²	55.3	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-53.1	-179.8	-178.8	170	-4.4	0	0	111.2	K168 N169 L170 A174 K175 E176	K168-Q172 WeakPolarHBondContact O-CB 3.18Å; K168-Q172 PolarHBondContact O-N 2.98Å; N169-Q172 PolarHBondContact O-N 3.02Å; L170-Q172 VanDerWaalsContact C-N 3.3Å; L170-Q172 PolarHBondContact O-N 3.27Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.98Å; Q172-K175 PolarHBondContact O-N 3.15Å; Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.3Å; Q172-E176 PolarHBondContact NE2-OE1 3.09Å; Q172-E176 WeakPolarHBondContact O-CB 3.36Å; Q172-E176 WeakPolarHBondContact O-CG 3.41Å; Q172-E176 PolarHBondContact O-N 3.13Å
173	F	91.6	Very high	93.4	Very high	36 Å²	36	53.6 Å²	53.6	16%	0.158	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-43.7	178.7	-73.6	-61.9	0	0	0	112.2	L9 F154 N169 E176 G177 L237 F245	L9-F173 HydrophobicContact CD1-CE1 4.47Å; F154-F173 HydrophobicContact CD1-CD2 4.43Å; F154-F173 AromaticContact CE1-CD2 3.88Å; F154-F173 HydrophobicContact CE1-CD2 3.88Å; F154-F173 HydrophobicContact CE1-CE2 4.41Å; N169-F173 HydrophobicContact CB-CD2 4.45Å; N169-F173 HydrophobicContact CB-CE2 4.34Å; N169-F173 WeakPolarHBondContact O-CD2 3.31Å; N169-F173 PolarHBondContact O-N 3.34Å; F173-E176 PolarHBondContact O-N 3.5Å; F173-G177 PolarHBondContact O-N 3.35Å; F173-L237 HydrophobicContact CB-CD1 3.39Å; F173-F245 HydrophobicContact CD1-CZ 4.24Å; F173-F245 HydrophobicContact CD2-CZ 4.22Å; F173-F245 HydrophobicContact CE1-CZ 4.48Å; F173-F245 HydrophobicContact CE2-CZ 4.46Å; F173-F245 HydrophobicContact CG-CZ 4.12Å
174	A	93.5	Very high	93.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.2	-41.2	177.7	0	0	0	0	0	112.2	L170 Q172 G177 M178 F192 F233 L237	L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 3.23Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.98Å; A174-G177 PolarHBondContact O-N 3.46Å; A174-M178 HydrophobicContact CB-CE 4.26Å; A174-M178 WeakPolarHBondContact O-CB 3.12Å; A174-M178 WeakPolarHBondContact O-CE 3.39Å; A174-M178 VanDerWaalsContact O-CG 3.26Å; A174-M178 WeakPolarHBondContact O-CG 3.36Å; A174-M178 PolarHBondContact O-N 2.92Å; A174-F192 HydrophobicContact CB-CE1 4.32Å; A174-F192 HydrophobicContact CB-CZ 4.17Å; A174-F233 HydrophobicContact CB-CD2 3.88Å; A174-F233 HydrophobicContact CB-CE2 3.22Å; A174-F233 HydrophobicContact CB-CZ 3.65Å; A174-L237 HydrophobicContact CB-CD1 4.31Å
175	K	93.7	Very high	93.8	Very high	116 Å²	116	47 Å²	47	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-45.2	177.2	-177.8	-179.5	179.5	-179	0	111.3	R171 Q172 M178 T179 F192	R171-K175 WeakPolarHBondContact O-CB 3.27Å; R171-K175 PolarHBondContact O-N 3.09Å; Q172-K175 PolarHBondContact O-N 3.15Å; K175-M178 PolarHBondContact O-N 2.78Å; K175-T179 WeakPolarHBondContact O-CB 3.33Å; K175-T179 PolarHBondContact O-N 3.04Å; K175-T179 PolarHBondContact O-OG1 3.21Å; K175-T179 VanDerWaalsContact O-OG1 3.13Å; K175-F192 HydrophobicContact CB-CE2 4.47Å; K175-F192 HydrophobicContact CB-CZ 4.4Å
176	E	92.6	Very high	93.9	Very high	62 Å²	62	54.2 Å²	54.2	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-47.4	177.5	-72.6	174.4	-163.9	0	0	111.1	Q172 F173 M178 T179 R180	Q172-E176 HydrophobicContact CG-CG 4.46Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.3Å; Q172-E176 PolarHBondContact NE2-OE1 3.09Å; Q172-E176 WeakPolarHBondContact O-CB 3.36Å; Q172-E176 WeakPolarHBondContact O-CG 3.41Å; Q172-E176 PolarHBondContact O-N 3.13Å; F173-E176 PolarHBondContact O-N 3.5Å; E176-M178 PolarHBondContact O-N 3.42Å; E176-T179 PolarHBondContact O-N 2.8Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-N 2.86Å
177	G	93.4	Very high	93.9	Very high	3 Å²	3	59.1 Å²	59.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-45.9	175.4	0	0	0	0	0	112.5	F173 A174 T179 R180 S181 A236	F173-G177 PolarHBondContact O-N 3.35Å; A174-G177 PolarHBondContact O-N 3.46Å; G177-T179 PolarHBondContact O-N 3.5Å; G177-R180 PolarHBondContact O-N 3.21Å; G177-S181 PolarHBondContact O-N 3Å; G177-S181 PolarHBondContact O-OG 2.95Å; G177-A236 VanDerWaalsContact CA-O 3.27Å; G177-A236 WeakPolarHBondContact CA-O 3.43Å
178	M	94.7	Very high	94	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-39	178.1	-75.6	-173.5	-74.1	0	0	112.1	A174 K175 E176 R180 S181 G182 Y183 R188 I191 F192 F233 A236	A174-M178 HydrophobicContact CB-CE 4.26Å; A174-M178 WeakPolarHBondContact O-CB 3.12Å; A174-M178 WeakPolarHBondContact O-CE 3.39Å; A174-M178 VanDerWaalsContact O-CG 3.26Å; A174-M178 WeakPolarHBondContact O-CG 3.36Å; A174-M178 PolarHBondContact O-N 2.92Å; K175-M178 PolarHBondContact O-N 2.78Å; E176-M178 PolarHBondContact O-N 3.42Å; M178-R180 VanDerWaalsContact C-N 3.35Å; M178-S181 CarbonylContact O-C 3.57Å; M178-S181 PolarHBondContact O-N 3.47Å; M178-G182 PolarHBondContact O-N 3.36Å; M178-Y183 HydrophobicContact CB-CD2 4.03Å; M178-Y183 HydrophobicContact CB-CG 4.4Å; M178-Y183 HydrophobicContact CG-CD2 4.2Å; M178-Y183 WeakPolarHBondContact O-CB 3.47Å; M178-Y183 WeakPolarHBondContact O-CD2 3.26Å; M178-Y183 PolarHBondContact O-N 3.48Å; M178-R188 HydrophobicContact CB-CG 3.78Å; M178-R188 HydrophobicContact CE-CB 4.33Å; M178-R188 HydrophobicContact CE-CG 4.14Å; M178-R188 HydrophobicContact CG-CG 4.49Å; M178-R188 HydrophobicContact SD-CB 4.43Å; M178-R188 HydrophobicContact SD-CG 3.98Å; M178-I191 HydrophobicContact CE-CG2 4.48Å; M178-I191 HydrophobicContact SD-CB 3.92Å; M178-I191 HydrophobicContact SD-CD1 3.68Å; M178-I191 HydrophobicContact SD-CG1 4.41Å; M178-I191 HydrophobicContact SD-CG2 3.61Å; M178-F192 HydrophobicContact CE-CD2 3.97Å; M178-F192 HydrophobicContact CE-CE1 4.38Å; M178-F192 HydrophobicContact CE-CE2 3.37Å; M178-F192 HydrophobicContact CE-CZ 3.61Å; M178-F233 HydrophobicContact CE-CD2 4.46Å; M178-A236 HydrophobicContact CB-CB 4.25Å; M178-A236 HydrophobicContact CG-CB 3.42Å; M178-A236 VanDerWaalsContact CG-CB 3.42Å
179	T	94.1	Very high	94.2	Very high	73 Å²	73	60.9 Å²	60.9	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-42	174	-69.8	0	0	0	0	111.8	K175 E176 G177 S181 G182 R188	K175-T179 WeakPolarHBondContact O-CB 3.33Å; K175-T179 PolarHBondContact O-N 3.04Å; K175-T179 PolarHBondContact O-OG1 3.21Å; K175-T179 VanDerWaalsContact O-OG1 3.13Å; E176-T179 PolarHBondContact O-N 2.8Å; G177-T179 PolarHBondContact O-N 3.5Å; T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.15Å; T179-G182 PolarHBondContact O-N 3.42Å; T179-G182 VanDerWaalsContact O-N 3.12Å; T179-R188 PolarHBondContact OG1-NH1 3.05Å
180	R	92.7	Very high	94.5	Very high	130 Å²	130	64 Å²	64	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-34.6	175	-70.1	177.1	-169.7	155.2	9.5	112.7	E176 G177 M178 G182 Q240	E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-N 2.86Å; G177-R180 PolarHBondContact O-N 3.21Å; M178-R180 VanDerWaalsContact C-N 3.35Å; R180-G182 PolarHBondContact O-N 3.46Å; R180-Q240 HydrophobicContact CB-CB 4.34Å; R180-Q240 HydrophobicContact CB-CG 4.05Å; R180-Q240 PolarHBondContact NH1-O 2.96Å
181	S	92.4	Very high	94.7	Very high	49 Å²	49	64.7 Å²	64.7	34%	0.343	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	7.3	174.2	-60.2	0	0	0	0	114.3	G177 M178 T179	G177-S181 PolarHBondContact O-N 3Å; G177-S181 PolarHBondContact O-OG 2.95Å; M178-S181 CarbonylContact O-C 3.57Å; M178-S181 PolarHBondContact O-N 3.47Å; T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.15Å
182	G	94.1	Very high	94.8	Very high	63 Å²	63	63.1 Å²	63.1	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.4	174.9	0	0	0	0	0	115.5	M178 T179 R180 G184	M178-G182 PolarHBondContact O-N 3.36Å; T179-G182 PolarHBondContact O-N 3.42Å; T179-G182 VanDerWaalsContact O-N 3.12Å; R180-G182 PolarHBondContact O-N 3.46Å; G182-G184 PolarHBondContact O-N 3.03Å
183	Y	95.3	Very high	95	Very high	59 Å²	59	64.3 Å²	64.3	23%	0.231	35%	0.349	C	S	.	.			trans	-74.5	127.8	177.9	-67.1	-84.6	0	0	0	111.9	M178 Q187 I191 K232	M178-Y183 HydrophobicContact CB-CD2 4.03Å; M178-Y183 HydrophobicContact CB-CG 4.4Å; M178-Y183 HydrophobicContact CG-CD2 4.2Å; M178-Y183 WeakPolarHBondContact O-CB 3.47Å; M178-Y183 WeakPolarHBondContact O-CD2 3.26Å; M178-Y183 PolarHBondContact O-N 3.48Å; Y183-Q187 HydrophobicContact CD1-CB 4.13Å; Y183-I191 HydrophobicContact CD1-CD1 3.74Å; Y183-I191 HydrophobicContact CE1-CD1 3.81Å; Y183-I191 HydrophobicContact CG-CD1 4.2Å; Y183-K232 HydrophobicContact CE1-CD 4.07Å
184	G	96.6	Very high	95.3	Very high	35 Å²	35	65.8 Å²	65.8	36%	0.361	36%	0.359	S	S	.	.			trans	-65.1	174.2	175.3	0	0	0	0	0	113.7	G182 R188	G182-G184 PolarHBondContact O-N 3.03Å; G184-R188 VanDerWaalsContact O-CG 3.26Å; G184-R188 WeakPolarHBondContact O-CG 3.36Å; G184-R188 PolarHBondContact O-N 3.29Å; G184-R188 VanDerWaalsContact O-N 3.12Å; G184-R188 PolarHBondContact O-NE 2.79Å; G184-R188 VanDerWaalsContact O-NE 3.14Å
185	A	96.4	Very high	95.5	Very high	62 Å²	62	65.8 Å²	65.8	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-48.8	178.4	0	0	0	0	0	112.7	R188 L189	A185-R188 PolarHBondContact O-N 3.22Å; A185-L189 PolarHBondContact O-N 2.82Å; A185-L189 VanDerWaalsContact O-N 3.15Å
186	E	96.9	Very high	95.6	Very high	161 Å²	161	62.8 Å²	62.8	75%	0.752	35%	0.35	S	S	*	.	H	α-helix	trans	-64.4	-44.6	179.9	-63.9	-178.9	171	0	0	112.2	R188 L189 V190	E186-R188 VanDerWaalsContact C-N 3.26Å; E186-R188 PolarHBondContact O-N 3.04Å; E186-L189 WeakPolarHBondContact O-CB 3.46Å; E186-L189 PolarHBondContact O-N 3.24Å; E186-L189 VanDerWaalsContact O-N 3.09Å; E186-V190 WeakPolarHBondContact O-CG2 3.45Å; E186-V190 PolarHBondContact O-N 3.24Å
187	Q	96.8	Very high	95.8	Very high	106 Å²	106	65.8 Å²	65.8	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-38.8	176.3	-67.3	177.7	-28.5	0	0	112.1	Y183 I191	Y183-Q187 HydrophobicContact CD1-CB 4.13Å; Q187-I191 WeakPolarHBondContact O-CD1 3.45Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.91Å
188	R	96.5	Very high	96	Very high	47 Å²	47	66.7 Å²	66.7	18%	0.177	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-40.8	176.1	-74.7	178.9	-66.2	169	0.4	111.8	M178 T179 G184 A185 E186 I191 F192	M178-R188 HydrophobicContact CB-CG 3.78Å; M178-R188 HydrophobicContact CE-CB 4.33Å; M178-R188 HydrophobicContact CE-CG 4.14Å; M178-R188 HydrophobicContact CG-CG 4.49Å; M178-R188 HydrophobicContact SD-CB 4.43Å; M178-R188 HydrophobicContact SD-CG 3.98Å; T179-R188 PolarHBondContact OG1-NH1 3.05Å; G184-R188 VanDerWaalsContact O-CG 3.26Å; G184-R188 WeakPolarHBondContact O-CG 3.36Å; G184-R188 PolarHBondContact O-N 3.29Å; G184-R188 VanDerWaalsContact O-N 3.12Å; G184-R188 PolarHBondContact O-NE 2.79Å; G184-R188 VanDerWaalsContact O-NE 3.14Å; A185-R188 PolarHBondContact O-N 3.22Å; E186-R188 VanDerWaalsContact C-N 3.26Å; E186-R188 PolarHBondContact O-N 3.04Å; R188-I191 PolarHBondContact O-N 3.08Å; R188-F192 WeakPolarHBondContact O-CD2 3.4Å; R188-F192 PolarHBondContact O-N 2.87Å
189	L	95.9	Very high	96	Very high	108 Å²	108	68.1 Å²	68.1	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-51.2	176.3	-68.3	173.2	0	0	0	110.7	A185 E186 I191 F192 D193	A185-L189 PolarHBondContact O-N 2.82Å; A185-L189 VanDerWaalsContact O-N 3.15Å; E186-L189 WeakPolarHBondContact O-CB 3.46Å; E186-L189 PolarHBondContact O-N 3.24Å; E186-L189 VanDerWaalsContact O-N 3.09Å; L189-I191 VanDerWaalsContact C-N 3.26Å; L189-I191 PolarHBondContact O-N 3.3Å; L189-F192 WeakPolarHBondContact O-CA 3.5Å; L189-F192 PolarHBondContact O-N 3.3Å; L189-D193 VanDerWaalsContact O-CG 3.32Å; L189-D193 PolarHBondContact O-N 3.18Å
190	V	97.3	Very high	96	Very high	99 Å²	99	70.2 Å²	70.2	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-57.3	-39.4	177.3	175.6	0	0	0	0	112.1	E186 N194	E186-V190 WeakPolarHBondContact O-CG2 3.45Å; E186-V190 PolarHBondContact O-N 3.24Å; V190-N194 WeakPolarHBondContact O-CB 3.36Å; V190-N194 PolarHBondContact O-N 2.79Å
191	I	97.4	Very high	95.9	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.077	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-42	176.3	-69.4	164.9	0	0	0	111.2	M178 Y183 Q187 R188 L189 V195 K232 F233	M178-I191 HydrophobicContact CE-CG2 4.48Å; M178-I191 HydrophobicContact SD-CB 3.92Å; M178-I191 HydrophobicContact SD-CD1 3.68Å; M178-I191 HydrophobicContact SD-CG1 4.41Å; M178-I191 HydrophobicContact SD-CG2 3.61Å; Y183-I191 HydrophobicContact CD1-CD1 3.74Å; Y183-I191 HydrophobicContact CE1-CD1 3.81Å; Y183-I191 HydrophobicContact CG-CD1 4.2Å; Q187-I191 WeakPolarHBondContact O-CD1 3.45Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.91Å; R188-I191 PolarHBondContact O-N 3.08Å; L189-I191 VanDerWaalsContact C-N 3.26Å; L189-I191 PolarHBondContact O-N 3.3Å; I191-V195 WeakPolarHBondContact O-CG2 3.29Å; I191-V195 PolarHBondContact O-N 2.75Å; I191-V195 VanDerWaalsContact O-N 3.15Å; I191-K232 HydrophobicContact CD1-CB 3.97Å; I191-K232 HydrophobicContact CD1-CD 4.18Å; I191-K232 HydrophobicContact CG1-CB 4.26Å; I191-K232 HydrophobicContact CG1-CD 4.32Å; I191-F233 HydrophobicContact CG2-CB 3.66Å; I191-F233 HydrophobicContact CG2-CD2 4.12Å; I191-F233 HydrophobicContact CG2-CG 4.4Å
192	F	96.9	Very high	95.5	Very high	35 Å²	35	71.1 Å²	71.1	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-65.8	-42.7	176.1	-83.2	-65.2	0	0	0	111.9	L166 R171 A174 K175 M178 R188 L189 N194 V195 V196 F233	L166-F192 HydrophobicContact CD1-CD1 3.96Å; L166-F192 HydrophobicContact CD1-CE1 4.13Å; R171-F192 HydrophobicContact CB-CE1 4.41Å; R171-F192 HydrophobicContact CB-CZ 4.48Å; R171-F192 HydrophobicContact CG-CE1 4.11Å; A174-F192 HydrophobicContact CB-CE1 4.32Å; A174-F192 HydrophobicContact CB-CZ 4.17Å; K175-F192 HydrophobicContact CB-CE2 4.47Å; K175-F192 HydrophobicContact CB-CZ 4.4Å; M178-F192 HydrophobicContact CE-CD2 3.97Å; M178-F192 HydrophobicContact CE-CE1 4.38Å; M178-F192 HydrophobicContact CE-CE2 3.37Å; M178-F192 HydrophobicContact CE-CZ 3.61Å; R188-F192 WeakPolarHBondContact O-CD2 3.4Å; R188-F192 PolarHBondContact O-N 2.87Å; L189-F192 WeakPolarHBondContact O-CA 3.5Å; L189-F192 PolarHBondContact O-N 3.3Å; F192-N194 VanDerWaalsContact C-N 3.34Å; F192-N194 PolarHBondContact O-N 3.12Å; F192-V195 WeakPolarHBondContact O-CA 2.99Å; F192-V195 WeakPolarHBondContact O-CB 3.43Å; F192-V195 PolarHBondContact O-N 2.88Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; F192-F233 HydrophobicContact CD1-CE2 4.04Å; F192-F233 HydrophobicContact CE1-CD2 4.42Å; F192-F233 AromaticContact CE1-CE2 3.65Å; F192-F233 HydrophobicContact CE1-CE2 3.65Å; F192-F233 HydrophobicContact CZ-CE2 4.42Å
193	D	96.3	Very high	95.1	Very high	91 Å²	91	69.4 Å²	69.4	49%	0.487	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-45.4	178	-65.2	-21.6	0	0	0	110.5	L189 V195 V196 D197	L189-D193 VanDerWaalsContact O-CG 3.32Å; L189-D193 PolarHBondContact O-N 3.18Å; D193-V195 VanDerWaalsContact C-N 3.26Å; D193-V195 PolarHBondContact O-N 3.49Å; D193-V196 WeakPolarHBondContact O-CA 3.22Å; D193-V196 WeakPolarHBondContact O-CB 3.34Å; D193-V196 PolarHBondContact O-N 3.27Å; D193-D197 VanDerWaalsContact O-CG 3.32Å; D193-D197 PolarHBondContact O-N 2.74Å
194	N	97.8	Very high	94.8	Very high	68 Å²	68	67.5 Å²	67.5	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-34.5	173.7	-177.4	88.4	0	0	0	112.9	V190 F192 T198 K229 N230	V190-N194 WeakPolarHBondContact O-CB 3.36Å; V190-N194 PolarHBondContact O-N 2.79Å; F192-N194 VanDerWaalsContact C-N 3.34Å; F192-N194 PolarHBondContact O-N 3.12Å; N194-T198 WeakPolarHBondContact O-CB 3.22Å; N194-T198 VanDerWaalsContact O-CG2 3.26Å; N194-T198 WeakPolarHBondContact O-CG2 3.15Å; N194-T198 PolarHBondContact O-N 3.44Å; N194-T198 VanDerWaalsContact O-N 3.1Å; N194-T198 PolarHBondContact O-OG1 3.09Å; N194-K229 PolarHBondContact ND2-O 3.08Å; N194-K229 VanDerWaalsContact ND2-O 3.11Å; N194-N230 PolarHBondContact ND2-OD1 2.04Å; N194-N230 PolarHBondContact O-OD1 2.98Å
195	V	97.7	Very high	94.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-44	173.8	171.8	0	0	0	0	110.7	L166 I191 F192 D193 D197 T198 M199 I225 N230 F233	L166-V195 HydrophobicContact CD1-CG1 3.97Å; L166-V195 HydrophobicContact CD2-CG1 4.31Å; I191-V195 WeakPolarHBondContact O-CG2 3.29Å; I191-V195 PolarHBondContact O-N 2.75Å; I191-V195 VanDerWaalsContact O-N 3.15Å; F192-V195 WeakPolarHBondContact O-CA 2.99Å; F192-V195 WeakPolarHBondContact O-CB 3.43Å; F192-V195 PolarHBondContact O-N 2.88Å; D193-V195 VanDerWaalsContact C-N 3.26Å; D193-V195 PolarHBondContact O-N 3.49Å; V195-D197 VanDerWaalsContact C-N 3.33Å; V195-D197 PolarHBondContact O-N 2.98Å; V195-T198 PolarHBondContact O-N 2.03Å; V195-M199 VanDerWaalsContact O-CB 3.27Å; V195-M199 WeakPolarHBondContact O-CB 3.18Å; V195-M199 WeakPolarHBondContact O-CG 3.29Å; V195-M199 PolarHBondContact O-N 3.15Å; V195-I225 HydrophobicContact CG1-CD1 4.11Å; V195-I225 HydrophobicContact CG1-CG1 4.37Å; V195-I225 HydrophobicContact CG1-CG2 4.06Å; V195-N230 VanDerWaalsContact CA-OD1 3.26Å; V195-N230 WeakPolarHBondContact CA-OD1 3.34Å; V195-N230 HydrophobicContact CG2-CB 4.1Å; V195-N230 VanDerWaalsContact CG2-OD1 3.23Å; V195-N230 WeakPolarHBondContact CG2-OD1 3.41Å; V195-N230 PolarHBondContact N-OD1 3.11Å; V195-F233 HydrophobicContact CG2-CB 3.8Å; V195-F233 HydrophobicContact CG2-CD1 3.88Å; V195-F233 HydrophobicContact CG2-CD2 3.69Å; V195-F233 HydrophobicContact CG2-CE1 4.35Å; V195-F233 HydrophobicContact CG2-CE2 4.17Å; V195-F233 HydrophobicContact CG2-CG 3.51Å; V195-F233 HydrophobicContact CG2-CZ 4.49Å
196	V	96.6	Very high	94	Very high	52 Å²	52	63.1 Å²	63.1	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-41.2	177.8	174.1	0	0	0	0	111.2	P165 F192 D193 T198 M199	P165-V196 HydrophobicContact CG-CG1 4.17Å; P165-V196 HydrophobicContact CG-CG2 3.66Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; D193-V196 WeakPolarHBondContact O-CA 3.22Å; D193-V196 WeakPolarHBondContact O-CB 3.34Å; D193-V196 PolarHBondContact O-N 3.27Å; V196-T198 PolarHBondContact O-N 3.27Å; V196-M199 HydrophobicContact CG1-CE 4.26Å; V196-M199 WeakPolarHBondContact O-CG 3.45Å
197	D	96.3	Very high	93.4	Very high	126 Å²	126	55.5 Å²	55.5	67%	0.674	28%	0.284	S	S	*	.	H	α-helix	trans	-72.1	-29.3	-179	-67.1	-20	0	0	0	113.2	D193 V195	D193-D197 VanDerWaalsContact O-CG 3.32Å; D193-D197 PolarHBondContact O-N 2.74Å; V195-D197 VanDerWaalsContact C-N 3.33Å; V195-D197 PolarHBondContact O-N 2.98Å
198	T	97.1	Very high	92.7	Very high	22 Å²	22	50.5 Å²	50.5	14%	0.135	26%	0.261	C	S	.	.	H	α-helix	trans	-105.8	-15.5	-172.4	63	0	0	0	0	114.6	N194 V195 V196 P226 K229 N230	N194-T198 WeakPolarHBondContact O-CB 3.22Å; N194-T198 VanDerWaalsContact O-CG2 3.26Å; N194-T198 WeakPolarHBondContact O-CG2 3.15Å; N194-T198 PolarHBondContact O-N 3.44Å; N194-T198 VanDerWaalsContact O-N 3.1Å; N194-T198 PolarHBondContact O-OG1 3.09Å; V195-T198 PolarHBondContact O-N 2.03Å; V196-T198 PolarHBondContact O-N 3.27Å; T198-P226 WeakPolarHBondContact O-CG 3.48Å; T198-K229 HydrophobicContact CG2-CB 4.24Å; T198-K229 HydrophobicContact CG2-CD 4.23Å; T198-N230 PolarHBondContact OG1-ND2 3.16Å; T198-N230 PolarHBondContact OG1-OD1 2.9Å
199	M	95.9	Very high	92.2	Very high	29 Å²	29	49.5 Å²	49.5	14%	0.143	26%	0.258	C	S	.	.			trans	-61	152.3	173.4	67	175	-174.1	0	0	110.9	P165 L166 V195 V196 F223 I224 I225	P165-M199 HydrophobicContact CB-CE 3.75Å; P165-M199 HydrophobicContact CG-CE 3.75Å; P165-M199 HydrophobicContact CG-SD 4.48Å; L166-M199 HydrophobicContact CD2-SD 4.31Å; V195-M199 VanDerWaalsContact O-CB 3.27Å; V195-M199 WeakPolarHBondContact O-CB 3.18Å; V195-M199 WeakPolarHBondContact O-CG 3.29Å; V195-M199 PolarHBondContact O-N 3.15Å; V196-M199 HydrophobicContact CG1-CE 4.26Å; V196-M199 WeakPolarHBondContact O-CG 3.45Å; M199-F223 HydrophobicContact CE-CD1 4.05Å; M199-F223 HydrophobicContact CE-CE1 3.6Å; M199-F223 HydrophobicContact CE-CE2 4.34Å; M199-F223 HydrophobicContact CE-CZ 3.79Å; M199-F223 HydrophobicContact CG-CD1 4.28Å; M199-F223 HydrophobicContact SD-CB 4.35Å; M199-F223 HydrophobicContact SD-CD1 3.68Å; M199-F223 HydrophobicContact SD-CD2 4.06Å; M199-F223 HydrophobicContact SD-CE1 3.86Å; M199-F223 HydrophobicContact SD-CE2 4.26Å; M199-F223 HydrophobicContact SD-CG 3.79Å; M199-F223 HydrophobicContact SD-CZ 4.18Å; M199-I224 WeakPolarHBondContact CA-O 3.34Å; M199-I225 HydrophobicContact CB-CG1 4.21Å
200	K	94.1	Very high	91.6	Very high	118 Å²	118	46.8 Å²	46.8	51%	0.513	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.3	-179.4	-61.4	-60.1	177.9	-170	0	110.2	Y202 F223 I224	K200-Y202 PolarHBondContact O-N 3.46Å; K200-F223 CarbonylContact O-C 3.58Å; K200-F223 VanDerWaalsContact O-CA 3.3Å; K200-F223 WeakPolarHBondContact O-CA 3.28Å; K200-I224 PolarHBondContact N-O 3.19Å; K200-I224 PolarHBondContact O-N 2.86Å
201	V	90.1	Very high	91.2	Very high	79 Å²	79	43.6 Å²	43.6	48%	0.479	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.7	168.1	-179.4	0	0	0	0	107.4	F221 F223	V201-F221 HydrophobicContact CG1-CD1 4.17Å; V201-F221 HydrophobicContact CG1-CE1 4.45Å; V201-F221 HydrophobicContact CG2-CD1 4.25Å; V201-F221 HydrophobicContact CG2-CE1 4.35Å; V201-F223 HydrophobicContact CG2-CD1 4.02Å; V201-F223 HydrophobicContact CG2-CE1 3.64Å
202	Y	84.3	Confident	91	Very high	118 Å²	118	43.4 Å²	43.4	46%	0.463	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-44.6	173.6	-176.1	-100.5	0	0	0	111.5	K200 F222 I224 M259 M262	K200-Y202 PolarHBondContact O-N 3.46Å; Y202-F222 WeakPolarHBondContact CB-O 3.11Å; Y202-F222 PolarHBondContact N-O 2.86Å; Y202-I224 HydrophobicContact CD2-CD1 3.84Å; Y202-I224 HydrophobicContact CG-CD1 4.2Å; Y202-M259 HydrophobicContact CE1-CE 4Å; Y202-M259 HydrophobicContact CE1-SD 3.71Å; Y202-M259 WeakPolarHBondContact OH-CE 3.23Å; Y202-M259 PolarHBondContact OH-SD 3.06Å; Y202-M262 HydrophobicContact CD1-CE 3.41Å; Y202-M262 VanDerWaalsContact CD1-CE 3.41Å; Y202-M262 HydrophobicContact CD1-SD 4.27Å; Y202-M262 HydrophobicContact CE1-CE 4.01Å; Y202-M262 HydrophobicContact CE1-SD 4.29Å; Y202-M262 HydrophobicContact CG-CE 4.12Å
203	L	84.1	Confident	90.9	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	138.4	178.1	180	70.2	0	0	0	108.1	F222 A279	L203-F222 HydrophobicContact CB-CB 4.11Å; L203-F222 HydrophobicContact CB-CD2 3.76Å; L203-F222 HydrophobicContact CB-CG 4.22Å; L203-F222 HydrophobicContact CD2-CD2 3.82Å; L203-F222 HydrophobicContact CD2-CE2 3.74Å; L203-F222 HydrophobicContact CG-CD2 4.08Å; L203-F222 HydrophobicContact CG-CE2 4.44Å; L203-F222 PolarHBondContact O-N 2.88Å; L203-A279 HydrophobicContact CD1-CB 4.06Å; L203-A279 WeakPolarHBondContact CD1-O 3.46Å; L203-A279 HydrophobicContact CG-CB 4.36Å
204	S	89	Confident	90.8	Very high	19 Å²	19	37.6 Å²	37.6	13%	0.133	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	130	173.2	61.4	0	0	0	0	110.8	T92 V220 F221 A279	T92-S204 WeakPolarHBondContact CG2-O 3.47Å; S204-V220 WeakPolarHBondContact CA-O 3.38Å; S204-F221 VanDerWaalsContact CB-CE1 3.46Å; S204-A279 WeakPolarHBondContact O-CA 3.25Å
205	G	89.2	Confident	90.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-173.3	167.5	0	0	0	0	0	112.4	E219 V220	G205-E219 CarbonylContact O-C 3.55Å; G205-E219 WeakPolarHBondContact O-CA 3.23Å; G205-V220 PolarHBondContact N-O 2.94Å; G205-V220 VanDerWaalsContact N-O 3.08Å; G205-V220 VanDerWaalsContact O-CG2 3.22Å; G205-V220 WeakPolarHBondContact O-CG2 3.34Å; G205-V220 PolarHBondContact O-N 2.73Å
206	S	88.7	Confident	90.8	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.7	165.3	49.8	0	0	0	0	110.4	R89 Y277 T278 A279	R89-S206 VanDerWaalsContact NH2-CB 3.34Å; R89-S206 PolarHBondContact NH2-OG 2.71Å; S206-Y277 WeakPolarHBondContact OG-CA 3.49Å; S206-T278 PolarHBondContact N-OG1 3.04Å; S206-T278 PolarHBondContact O-N 3.01Å; S206-T278 PolarHBondContact OG-N 2.91Å; S206-T278 PolarHBondContact OG-OG1 3.42Å; S206-A279 VanDerWaalsContact O-CB 3.27Å; S206-A279 WeakPolarHBondContact O-CB 3.47Å; S206-A279 PolarHBondContact O-N 3.35Å; S206-A279 VanDerWaalsContact O-N 3.12Å
207	I	84.3	Confident	90.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.158	C	C	.	.			trans	-129.3	153	177.7	57.7	167.5	0	0	0	109.9	H209 N212 I218 V220 Q266 Y277 A279	I207-H209 PolarHBondContact O-N 3.37Å; I207-N212 PolarHBondContact O-ND2 3.29Å; I207-I218 HydrophobicContact CD1-CG2 4.39Å; I207-I218 HydrophobicContact CG1-CG2 3.67Å; I207-V220 HydrophobicContact CD1-CG1 3.68Å; I207-V220 HydrophobicContact CD1-CG2 4.25Å; I207-V220 HydrophobicContact CG1-CG1 4.06Å; I207-V220 HydrophobicContact CG1-CG2 4.27Å; I207-V220 HydrophobicContact CG2-CG2 3.75Å; I207-Q266 HydrophobicContact CD1-CG 4.35Å; I207-Y277 VanDerWaalsContact C-CD1 3.43Å; I207-Y277 VanDerWaalsContact C-CE1 3.41Å; I207-Y277 WeakPolarHBondContact O-CE1 3.45Å; I207-A279 HydrophobicContact CG2-CB 3.42Å; I207-A279 VanDerWaalsContact CG2-CB 3.42Å
208	P	82.2	Confident	90.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.127	C	C	.	.			trans	-58.5	126	166.2	25.2	-32.4	0	0	0	108.6	I271 Y273 Y277	P208-I271 HydrophobicContact CB-CB 4.21Å; P208-I271 HydrophobicContact CB-CG2 3.73Å; P208-Y273 HydrophobicContact CG-CD1 4.37Å; P208-Y273 HydrophobicContact CG-CD2 4.48Å; P208-Y273 HydrophobicContact CG-CE1 4.1Å; P208-Y273 HydrophobicContact CG-CE2 4.19Å; P208-Y277 VanDerWaalsContact CA-CZ 3.46Å; P208-Y277 HydrophobicContact CB-CD2 4.34Å; P208-Y277 HydrophobicContact CB-CE1 4.5Å; P208-Y277 HydrophobicContact CB-CE2 3.7Å; P208-Y277 HydrophobicContact CG-CD2 4.38Å; P208-Y277 HydrophobicContact CG-CE2 4.22Å
209	H	85.2	Confident	90.4	Very high	25 Å²	25	25.8 Å²	25.8	12%	0.116	12%	0.121	C	C	.	.			trans	-147.7	139.3	178	-167.1	-100.3	0	0	0	109.7	I207 W211 N212 I218	I207-H209 PolarHBondContact O-N 3.37Å; H209-W211 AromaticContact CE1-CD1 3.65Å; H209-W211 AromaticContact CE1-CD2 3.37Å; H209-W211 AromaticContact CE1-CE2 3.63Å; H209-W211 AromaticContact CE1-CE3 3.88Å; H209-W211 AromaticContact CE1-CG 3.38Å; H209-W211 AromaticContact CE1-NE1 3.64Å; H209-W211 WeakPolarHBondContact ND1-CB 3.4Å; H209-W211 AromaticContact ND1-CD1 3.89Å; H209-W211 AromaticContact ND1-CD2 3.85Å; H209-W211 AromaticContact ND1-CG 3.44Å; H209-W211 PolarHBondContact ND1-N 3.37Å; H209-W211 PolarHBondContact O-N 3.42Å; H209-N212 PolarHBondContact N-ND2 3.36Å; H209-N212 VanDerWaalsContact O-CB 3.22Å; H209-N212 WeakPolarHBondContact O-CB 3.49Å; H209-N212 VanDerWaalsContact O-CG 3.27Å; H209-N212 PolarHBondContact O-N 3.25Å; H209-I218 HydrophobicContact CB-CG2 3.46Å; H209-I218 VanDerWaalsContact CB-CG2 3.46Å
210	R	83.3	Confident	90.2	Very high	51 Å²	51	24.5 Å²	24.5	19%	0.192	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-6.1	-177.6	55.6	174.7	-63.6	-107.3	-19.8	115.6	W30 T269	W30-R210 HydrophobicContact CZ2-CB 4.47Å; R210-T269 HydrophobicContact CB-CG2 4.21Å
211	W	89.3	Confident	90	Very high	32 Å²	32	20 Å²	20	12%	0.121	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.2	173.5	-57.3	-4.6	0	0	0	112.2	F21 W62 L120 F121 F157 H209 T213	F21-W211 AromaticContact CE1-CD1 3.78Å; F21-W211 AromaticContact CE1-CE2 3.64Å; F21-W211 AromaticContact CE1-CZ2 3.92Å; F21-W211 HydrophobicContact CE1-CZ2 3.92Å; F21-W211 AromaticContact CE1-NE1 2.99Å; F21-W211 AromaticContact CZ-CD1 3.44Å; F21-W211 VanDerWaalsContact CZ-CD1 3.44Å; F21-W211 AromaticContact CZ-CE2 4Å; F21-W211 HydrophobicContact CZ-CG 4.49Å; F21-W211 AromaticContact CZ-NE1 3.17Å; W62-W211 HydrophobicContact CZ2-CZ3 4.17Å; L120-W211 HydrophobicContact CB-CD2 4.21Å; L120-W211 HydrophobicContact CB-CE3 4.26Å; L120-W211 HydrophobicContact CB-CG 4.46Å; L120-W211 HydrophobicContact CD1-CD2 4.1Å; L120-W211 HydrophobicContact CD1-CG 4.28Å; L120-W211 HydrophobicContact CD1-CZ2 4.29Å; F121-W211 HydrophobicContact CD1-CE3 4.35Å; F121-W211 HydrophobicContact CD2-CB 4.32Å; F121-W211 HydrophobicContact CE1-CB 4.18Å; F121-W211 AromaticContact CE1-CE3 3.97Å; F121-W211 HydrophobicContact CE1-CE3 3.97Å; F121-W211 HydrophobicContact CE2-CB 3.61Å; F121-W211 WeakPolarHBondContact CE2-O 3.22Å; F121-W211 HydrophobicContact CZ-CB 3.51Å; F121-W211 HydrophobicContact CZ-CE3 4.45Å; F157-W211 HydrophobicContact CE2-CZ3 4.28Å; F157-W211 HydrophobicContact CZ-CE3 4.49Å; F157-W211 HydrophobicContact CZ-CZ3 4.17Å; H209-W211 AromaticContact CE1-CD1 3.65Å; H209-W211 AromaticContact CE1-CD2 3.37Å; H209-W211 AromaticContact CE1-CE2 3.63Å; H209-W211 AromaticContact CE1-CE3 3.88Å; H209-W211 AromaticContact CE1-CG 3.38Å; H209-W211 AromaticContact CE1-NE1 3.64Å; H209-W211 WeakPolarHBondContact ND1-CB 3.4Å; H209-W211 AromaticContact ND1-CD1 3.89Å; H209-W211 AromaticContact ND1-CD2 3.85Å; H209-W211 AromaticContact ND1-CG 3.44Å; H209-W211 PolarHBondContact ND1-N 3.37Å; H209-W211 PolarHBondContact O-N 3.42Å; W211-T213 WeakPolarHBondContact O-CG2 3.46Å; W211-T213 PolarHBondContact O-N 3.42Å
212	N	92.5	Very high	90	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.059	7%	0.073	C	C	.	.			trans	-57.5	127.9	178.2	-66.2	-9.6	0	0	0	108.4	T113 I207 H209 A216 W217 I218	T113-N212 HydrophobicContact CG2-CB 4.42Å; I207-N212 PolarHBondContact O-ND2 3.29Å; H209-N212 PolarHBondContact N-ND2 3.36Å; H209-N212 VanDerWaalsContact O-CB 3.22Å; H209-N212 WeakPolarHBondContact O-CB 3.49Å; H209-N212 VanDerWaalsContact O-CG 3.27Å; H209-N212 PolarHBondContact O-N 3.25Å; N212-A216 WeakPolarHBondContact CA-O 3.37Å; N212-W217 HydrophobicContact CB-CB 4.35Å; N212-W217 WeakPolarHBondContact OD1-CA 3.34Å; N212-I218 PolarHBondContact OD1-N 2.97Å
213	T	94.1	Very high	90.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.			trans	-113.4	-178.4	171.3	69.7	0	0	0	0	108.2	W56 N108 T113 Y115 G117 W211 N215 A216	W56-T213 HydrophobicContact CE3-CG2 3.63Å; W56-T213 HydrophobicContact CZ3-CG2 3.87Å; N108-T213 VanDerWaalsContact CB-O 3.3Å; N108-T213 WeakPolarHBondContact CB-O 3.26Å; N108-T213 PolarHBondContact ND2-O 2.81Å; T113-T213 VanDerWaalsContact CG2-C 3.48Å; T113-T213 WeakPolarHBondContact CG2-O 3.26Å; T113-T213 VanDerWaalsContact OG1-CA 3.28Å; T113-T213 WeakPolarHBondContact OG1-CA 3.34Å; Y115-T213 CarbonylContact O-C 3.56Å; Y115-T213 WeakPolarHBondContact O-CB 3.08Å; G117-T213 VanDerWaalsContact O-CB 3.29Å; G117-T213 WeakPolarHBondContact O-CB 3.3Å; G117-T213 PolarHBondContact O-OG1 3.27Å; W211-T213 WeakPolarHBondContact O-CG2 3.46Å; W211-T213 PolarHBondContact O-N 3.42Å; T213-N215 PolarHBondContact O-N 3.12Å; T213-N215 PolarHBondContact OG1-N 3.07Å; T213-N215 VanDerWaalsContact OG1-N 3.12Å; T213-A216 PolarHBondContact N-O 3.12Å; T213-A216 PolarHBondContact OG1-N 2.88Å; T213-A216 PolarHBondContact OG1-O 3.21Å
214	D	94.9	Very high	90.9	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.027	6%	0.058	C	C	.	.	S	Bend	trans	-64.4	-23.5	171.7	-67.8	1	0	0	0	112.1	W44 Y51 L107 N108 T113 G114 Y115	W44-D214 HydrophobicContact CH2-CB 3.76Å; W44-D214 HydrophobicContact CZ2-CB 4.15Å; Y51-D214 WeakPolarHBondContact CE1-OD2 3.13Å; Y51-D214 VanDerWaalsContact CZ-OD2 3.3Å; Y51-D214 PolarHBondContact OH-OD1 3.24Å; Y51-D214 PolarHBondContact OH-OD2 3.13Å; L107-D214 CarbonylContact C-O 3.54Å; L107-D214 WeakPolarHBondContact CA-O 3.26Å; N108-D214 PolarHBondContact N-O 2.71Å; T113-D214 WeakPolarHBondContact CA-OD1 3.37Å; T113-D214 PolarHBondContact N-OD1 2.99Å; T113-D214 PolarHBondContact OG1-N 3.01Å; T113-D214 VanDerWaalsContact OG1-N 3.13Å; T113-D214 PolarHBondContact OG1-OD1 3.19Å; G114-D214 PolarHBondContact N-OD1 3.41Å; Y115-D214 VanDerWaalsContact O-CB 3.28Å; Y115-D214 WeakPolarHBondContact O-CB 3.44Å; Y115-D214 PolarHBondContact O-N 3.43Å
215	N	97.1	Very high	91.3	Very high	10 Å²	10	11.2 Å²	11.2	5%	0.053	5%	0.051	C	C	.	.	S	Bend	trans	-126.2	0	-170.8	-47	116.9	0	0	0	114.7	P106 G117 W124 G125 T213	P106-N215 WeakPolarHBondContact CG-O 3.3Å; P106-N215 VanDerWaalsContact O-CA 3.3Å; P106-N215 WeakPolarHBondContact O-CA 3.03Å; P106-N215 PolarHBondContact O-ND2 2.85Å; G117-N215 PolarHBondContact N-OD1 3.19Å; W124-N215 HydrophobicContact CE3-CB 3.74Å; W124-N215 HydrophobicContact CZ3-CB 3.71Å; G125-N215 PolarHBondContact N-O 2.58Å; T213-N215 PolarHBondContact O-N 3.12Å; T213-N215 PolarHBondContact OG1-N 3.07Å; T213-N215 VanDerWaalsContact OG1-N 3.12Å
216	A	97.7	Very high	91.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	133	174.2	0	0	0	0	0	110.2	R118 F121 G125 N212 T213	R118-A216 HydrophobicContact CG-CB 4.34Å; F121-A216 HydrophobicContact CB-CB 4.01Å; F121-A216 HydrophobicContact CD2-CB 3.67Å; F121-A216 WeakPolarHBondContact CE2-O 2.96Å; F121-A216 HydrophobicContact CG-CB 4.24Å; G125-A216 VanDerWaalsContact O-CA 3.29Å; G125-A216 WeakPolarHBondContact O-CA 2.97Å; N212-A216 WeakPolarHBondContact CA-O 3.37Å; T213-A216 PolarHBondContact N-O 3.12Å; T213-A216 PolarHBondContact OG1-N 2.88Å; T213-A216 PolarHBondContact OG1-O 3.21Å
217	W	95.3	Very high	92	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.008	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.2	-177.7	60.3	88.8	0	0	0	111.6	Y99 P106 N108 P109 G125 P126 N127 N212 E219	Y99-W217 AromaticContact CD1-CH2 3.84Å; Y99-W217 HydrophobicContact CD1-CH2 3.84Å; Y99-W217 AromaticContact CD1-CZ2 3.61Å; Y99-W217 HydrophobicContact CD1-CZ2 3.61Å; Y99-W217 AromaticContact CD2-CH2 3.85Å; Y99-W217 HydrophobicContact CD2-CH2 3.85Å; Y99-W217 HydrophobicContact CD2-CZ2 4.47Å; Y99-W217 HydrophobicContact CE1-CH2 4.35Å; Y99-W217 HydrophobicContact CE1-CZ2 4.15Å; Y99-W217 HydrophobicContact CE2-CH2 4.37Å; Y99-W217 AromaticContact CG-CH2 3.56Å; Y99-W217 HydrophobicContact CG-CH2 3.56Å; Y99-W217 AromaticContact CG-CZ2 3.79Å; Y99-W217 HydrophobicContact CG-CZ2 3.79Å; P106-W217 HydrophobicContact CB-CH2 4.14Å; P106-W217 HydrophobicContact CB-CZ3 4.19Å; N108-W217 VanDerWaalsContact CA-CE3 3.5Å; N108-W217 HydrophobicContact CB-CE3 3.86Å; N108-W217 HydrophobicContact CB-CZ3 4.33Å; P109-W217 HydrophobicContact CG-CH2 4.3Å; P109-W217 HydrophobicContact CG-CZ2 3.97Å; G125-W217 PolarHBondContact O-N 3.23Å; P126-W217 HydrophobicContact CB-CZ2 4.1Å; P126-W217 HydrophobicContact CG-CZ2 4.38Å; N127-W217 WeakPolarHBondContact CB-O 3.27Å; N127-W217 PolarHBondContact N-O 2.84Å; N212-W217 HydrophobicContact CB-CB 4.35Å; N212-W217 WeakPolarHBondContact OD1-CA 3.34Å; W217-E219 PolarHBondContact NE1-OE1 2.85Å
218	I	94.2	Very high	92.4	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.036	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.6	176.5	-161.2	168.3	0	0	0	111.5	F121 F129 I207 H209 N212 V220	F121-I218 HydrophobicContact CE1-CB 3.79Å; F121-I218 HydrophobicContact CE1-CG1 4.26Å; F121-I218 HydrophobicContact CZ-CB 3.71Å; F129-I218 HydrophobicContact CB-CD1 3.72Å; F129-I218 HydrophobicContact CB-CG1 3.87Å; F129-I218 HydrophobicContact CG-CD1 4.2Å; I207-I218 HydrophobicContact CD1-CG2 4.39Å; I207-I218 HydrophobicContact CG1-CG2 3.67Å; H209-I218 HydrophobicContact CB-CG2 3.46Å; H209-I218 VanDerWaalsContact CB-CG2 3.46Å; N212-I218 PolarHBondContact OD1-N 2.97Å; I218-V220 HydrophobicContact CD1-CG1 4.13Å; I218-V220 HydrophobicContact CG1-CG1 4.14Å
219	E	93.2	Very high	93.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.4	161.2	-67.9	-174.2	-134.3	0	0	108.3	R89 I90 P126 N127 V128 F129 G205 W217	R89-E219 WeakPolarHBondContact CD-OE1 3.41Å; R89-E219 IonicContact CZ-OE1 3.41Å; R89-E219 VanDerWaalsContact NE-CD 3.35Å; R89-E219 IonicContact NE-OE1 3.91Å; R89-E219 PolarHBondContact NE-OE1 2.8Å; R89-E219 IonicContact NE-OE2 2.89Å; R89-E219 IonicContact NH2-OE1 3.18Å; R89-E219 IonicContact NH2-OE2 2.72Å; I90-E219 HydrophobicContact CD1-CB 4.38Å; I90-E219 VanDerWaalsContact CG1-OE2 3.25Å; I90-E219 WeakPolarHBondContact CG1-OE2 3.4Å; I90-E219 HydrophobicContact CG2-CB 4Å; I90-E219 WeakPolarHBondContact CG2-OE2 3.5Å; I90-E219 PolarHBondContact N-OE2 3.3Å; P126-E219 WeakPolarHBondContact CB-OE1 3.41Å; N127-E219 PolarHBondContact O-N 3.39Å; V128-E219 CarbonylContact C-O 3.35Å; V128-E219 VanDerWaalsContact CA-O 3.23Å; V128-E219 WeakPolarHBondContact CA-O 3.44Å; F129-E219 PolarHBondContact N-O 2.97Å; G205-E219 CarbonylContact O-C 3.55Å; G205-E219 WeakPolarHBondContact O-CA 3.23Å; W217-E219 PolarHBondContact NE1-OE1 2.85Å
220	V	91.1	Very high	93.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.8	-171.8	-70.1	0	0	0	0	110.6	F129 S204 G205 I207 I218 F222	F129-V220 VanDerWaalsContact O-CA 3.29Å; F129-V220 WeakPolarHBondContact O-CA 3.43Å; S204-V220 WeakPolarHBondContact CA-O 3.38Å; G205-V220 PolarHBondContact N-O 2.94Å; G205-V220 VanDerWaalsContact N-O 3.08Å; G205-V220 VanDerWaalsContact O-CG2 3.22Å; G205-V220 WeakPolarHBondContact O-CG2 3.34Å; G205-V220 PolarHBondContact O-N 2.73Å; I207-V220 HydrophobicContact CD1-CG1 3.68Å; I207-V220 HydrophobicContact CD1-CG2 4.25Å; I207-V220 HydrophobicContact CG1-CG1 4.06Å; I207-V220 HydrophobicContact CG1-CG2 4.27Å; I207-V220 HydrophobicContact CG2-CG2 3.75Å; I218-V220 HydrophobicContact CD1-CG1 4.13Å; I218-V220 HydrophobicContact CG1-CG1 4.14Å; V220-F222 HydrophobicContact CB-CD2 4.04Å; V220-F222 HydrophobicContact CB-CE2 3.63Å; V220-F222 HydrophobicContact CG1-CE2 4.17Å; V220-F222 HydrophobicContact CG2-CD2 4.09Å; V220-F222 HydrophobicContact CG2-CE2 3.65Å
221	F	91.2	Very high	94.2	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.105	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.5	157.3	-84.4	-80.2	0	0	0	108.7	I90 V128 F129 V130 K131 V161 V201 S204 F223	I90-F221 HydrophobicContact CB-CE2 3.89Å; I90-F221 HydrophobicContact CB-CZ 3.99Å; I90-F221 HydrophobicContact CD1-CD2 4.42Å; I90-F221 HydrophobicContact CD1-CE2 3.94Å; I90-F221 HydrophobicContact CD1-CZ 3.99Å; I90-F221 HydrophobicContact CG1-CZ 4.49Å; I90-F221 HydrophobicContact CG2-CD2 4.42Å; I90-F221 HydrophobicContact CG2-CE2 3.58Å; I90-F221 HydrophobicContact CG2-CZ 4.22Å; V128-F221 HydrophobicContact CG1-CD2 3.7Å; V128-F221 HydrophobicContact CG1-CE2 4.24Å; F129-F221 PolarHBondContact O-N 2.85Å; V130-F221 CarbonylContact C-O 3.5Å; V130-F221 WeakPolarHBondContact CA-O 3.25Å; V130-F221 HydrophobicContact CG2-CB 4.25Å; K131-F221 PolarHBondContact N-O 2.98Å; V161-F221 HydrophobicContact CB-CD2 4.45Å; V161-F221 HydrophobicContact CB-CE2 4.19Å; V161-F221 HydrophobicContact CG1-CE2 3.83Å; V161-F221 HydrophobicContact CG1-CZ 4.38Å; V161-F221 HydrophobicContact CG2-CD2 3.8Å; V161-F221 HydrophobicContact CG2-CE2 3.81Å; V161-F221 HydrophobicContact CG2-CG 4.4Å; V161-F221 HydrophobicContact CG2-CZ 4.43Å; V201-F221 HydrophobicContact CG1-CD1 4.17Å; V201-F221 HydrophobicContact CG1-CE1 4.45Å; V201-F221 HydrophobicContact CG2-CD1 4.25Å; V201-F221 HydrophobicContact CG2-CE1 4.35Å; S204-F221 VanDerWaalsContact CB-CE1 3.46Å; F221-F223 HydrophobicContact CB-CD2 4.34Å; F221-F223 HydrophobicContact CB-CE1 4.29Å; F221-F223 HydrophobicContact CB-CE2 3.75Å; F221-F223 HydrophobicContact CB-CZ 3.72Å; F221-F223 AromaticContact CD1-CE1 3.95Å; F221-F223 HydrophobicContact CD1-CE1 3.95Å; F221-F223 AromaticContact CD1-CZ 3.82Å; F221-F223 HydrophobicContact CD1-CZ 3.82Å; F221-F223 HydrophobicContact CG-CE1 4.36Å; F221-F223 HydrophobicContact CG-CE2 4.31Å; F221-F223 AromaticContact CG-CZ 3.82Å; F221-F223 HydrophobicContact CG-CZ 3.82Å
222	F	89.9	Confident	94.5	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.6	170.2	-69.4	-98.8	0	0	0	108.4	K131 Y202 L203 V220 M262	K131-F222 HydrophobicContact CB-CD1 3.69Å; K131-F222 HydrophobicContact CB-CE1 3.95Å; K131-F222 HydrophobicContact CB-CG 4.4Å; K131-F222 HydrophobicContact CD-CD1 3.9Å; K131-F222 HydrophobicContact CD-CE1 3.22Å; K131-F222 HydrophobicContact CD-CZ 3.72Å; K131-F222 HydrophobicContact CG-CD1 4.4Å; K131-F222 HydrophobicContact CG-CE1 4.16Å; K131-F222 CarbonylContact O-C 3.59Å; K131-F222 VanDerWaalsContact O-CA 3.31Å; K131-F222 WeakPolarHBondContact O-CA 3.28Å; Y202-F222 WeakPolarHBondContact CB-O 3.11Å; Y202-F222 PolarHBondContact N-O 2.86Å; L203-F222 HydrophobicContact CB-CB 4.11Å; L203-F222 HydrophobicContact CB-CD2 3.76Å; L203-F222 HydrophobicContact CB-CG 4.22Å; L203-F222 HydrophobicContact CD2-CD2 3.82Å; L203-F222 HydrophobicContact CD2-CE2 3.74Å; L203-F222 HydrophobicContact CG-CD2 4.08Å; L203-F222 HydrophobicContact CG-CE2 4.44Å; L203-F222 PolarHBondContact O-N 2.88Å; V220-F222 HydrophobicContact CB-CD2 4.04Å; V220-F222 HydrophobicContact CB-CE2 3.63Å; V220-F222 HydrophobicContact CG1-CE2 4.17Å; V220-F222 HydrophobicContact CG2-CD2 4.09Å; V220-F222 HydrophobicContact CG2-CE2 3.65Å; F222-M262 HydrophobicContact CB-CE 3.67Å; F222-M262 HydrophobicContact CD1-CB 4.29Å; F222-M262 HydrophobicContact CD1-CE 3.31Å; F222-M262 HydrophobicContact CD1-CG 3.82Å; F222-M262 HydrophobicContact CD1-SD 4.42Å; F222-M262 HydrophobicContact CE1-CB 3.74Å; F222-M262 HydrophobicContact CE1-CE 4.1Å; F222-M262 HydrophobicContact CE1-CG 3.62Å; F222-M262 HydrophobicContact CG-CE 3.76Å; F222-M262 HydrophobicContact CZ-CB 4.28Å
223	F	92.9	Very high	94.7	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.1	177.6	-63.1	-59.7	0	0	0	111.1	V130 K131 A132 L133 V161 P165 M199 K200 V201 F221	V130-F223 HydrophobicContact CG1-CD2 3.39Å; V130-F223 HydrophobicContact CG1-CE2 3.55Å; V130-F223 HydrophobicContact CG2-CE2 4.25Å; K131-F223 PolarHBondContact O-N 3.46Å; A132-F223 WeakPolarHBondContact CA-O 3.29Å; A132-F223 HydrophobicContact CB-CB 4.49Å; L133-F223 PolarHBondContact N-O 2.91Å; V161-F223 HydrophobicContact CG2-CE2 4.5Å; V161-F223 HydrophobicContact CG2-CZ 4.11Å; P165-F223 HydrophobicContact CB-CE2 4.04Å; P165-F223 HydrophobicContact CB-CZ 4.12Å; M199-F223 HydrophobicContact CE-CD1 4.05Å; M199-F223 HydrophobicContact CE-CE1 3.6Å; M199-F223 HydrophobicContact CE-CE2 4.34Å; M199-F223 HydrophobicContact CE-CZ 3.79Å; M199-F223 HydrophobicContact CG-CD1 4.28Å; M199-F223 HydrophobicContact SD-CB 4.35Å; M199-F223 HydrophobicContact SD-CD1 3.68Å; M199-F223 HydrophobicContact SD-CD2 4.06Å; M199-F223 HydrophobicContact SD-CE1 3.86Å; M199-F223 HydrophobicContact SD-CE2 4.26Å; M199-F223 HydrophobicContact SD-CG 3.79Å; M199-F223 HydrophobicContact SD-CZ 4.18Å; K200-F223 CarbonylContact O-C 3.58Å; K200-F223 VanDerWaalsContact O-CA 3.3Å; K200-F223 WeakPolarHBondContact O-CA 3.28Å; V201-F223 HydrophobicContact CG2-CD1 4.02Å; V201-F223 HydrophobicContact CG2-CE1 3.64Å; F221-F223 HydrophobicContact CB-CD2 4.34Å; F221-F223 HydrophobicContact CB-CE1 4.29Å; F221-F223 HydrophobicContact CB-CE2 3.75Å; F221-F223 HydrophobicContact CB-CZ 3.72Å; F221-F223 AromaticContact CD1-CE1 3.95Å; F221-F223 HydrophobicContact CD1-CE1 3.95Å; F221-F223 AromaticContact CD1-CZ 3.82Å; F221-F223 HydrophobicContact CD1-CZ 3.82Å; F221-F223 HydrophobicContact CG-CE1 4.36Å; F221-F223 HydrophobicContact CG-CE2 4.31Å; F221-F223 AromaticContact CG-CZ 3.82Å; F221-F223 HydrophobicContact CG-CZ 3.82Å
224	I	93.7	Very high	94.7	Very high	50 Å²	50	27.3 Å²	27.3	26%	0.256	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.8	162	-65.5	168.2	0	0	0	107.5	L133 V135 M199 K200 Y202 P226	L133-I224 WeakPolarHBondContact O-CA 2.9Å; V135-I224 HydrophobicContact CB-CG2 4.14Å; V135-I224 HydrophobicContact CG2-CG2 3.89Å; M199-I224 WeakPolarHBondContact CA-O 3.34Å; K200-I224 PolarHBondContact N-O 3.19Å; K200-I224 PolarHBondContact O-N 2.86Å; Y202-I224 HydrophobicContact CD2-CD1 3.84Å; Y202-I224 HydrophobicContact CG-CD1 4.2Å; I224-P226 VanDerWaalsContact O-CD 3.3Å; I224-P226 WeakPolarHBondContact O-CD 3.38Å
225	I	96.9	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107	176.4	-60.5	173.5	0	0	0	108.5	A132 L133 L134 V135 L166 L170 V195 M199 C227 N230	A132-I225 HydrophobicContact CB-CD1 4.08Å; L133-I225 PolarHBondContact O-N 3Å; L134-I225 HydrophobicContact CG-CB 4.33Å; V135-I225 PolarHBondContact N-O 3.35Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å; L170-I225 HydrophobicContact CD2-CD1 3.64Å; V195-I225 HydrophobicContact CG1-CD1 4.11Å; V195-I225 HydrophobicContact CG1-CG1 4.37Å; V195-I225 HydrophobicContact CG1-CG2 4.06Å; M199-I225 HydrophobicContact CB-CG1 4.21Å; I225-C227 PolarHBondContact O-N 3.3Å; I225-N230 HydrophobicContact CG2-CB 4.47Å
226	P	96	Very high	94.3	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.078	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	104.5	-179.9	27.8	-31.5	0	0	0	111.3	V135 T198 I224 H228 K229 N230	V135-P226 CarbonylContact O-C 3.52Å; V135-P226 WeakPolarHBondContact O-CA 3.12Å; T198-P226 WeakPolarHBondContact O-CG 3.48Å; I224-P226 VanDerWaalsContact O-CD 3.3Å; I224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-H228 WeakPolarHBondContact CB-CE1 3.29Å; P226-H228 PolarHBondContact O-N 3.09Å; P226-K229 HydrophobicContact CB-CG 4.48Å; P226-K229 HydrophobicContact CG-CB 4.28Å; P226-K229 HydrophobicContact CG-CD 4.13Å; P226-K229 HydrophobicContact CG-CG 4.35Å; P226-K229 PolarHBondContact O-N 2.92Å; P226-N230 PolarHBondContact O-N 2.79Å; P226-N230 VanDerWaalsContact O-N 3.13Å; P226-N230 PolarHBondContact O-ND2 3.18Å
227	C	96.6	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	-179.3	-71.8	0	0	0	0	114.7	V135 W136 I225 K229 N230 K231 C234 W247	V135-C227 PolarHBondContact O-N 3.03Å; W136-C227 HydrophobicContact CB-CB 3.95Å; W136-C227 HydrophobicContact CD2-CB 3.87Å; W136-C227 HydrophobicContact CE3-CB 4.04Å; W136-C227 HydrophobicContact CG-CB 3.85Å; I225-C227 PolarHBondContact O-N 3.3Å; C227-K229 VanDerWaalsContact C-N 3.25Å; C227-K229 PolarHBondContact O-N 2.72Å; C227-N230 CarbonylContact O-C 3.54Å; C227-N230 PolarHBondContact O-N 2.74Å; C227-K231 WeakPolarHBondContact O-CA 3.46Å; C227-K231 WeakPolarHBondContact O-CG 3.33Å; C227-K231 PolarHBondContact O-N 3.02Å; C227-K231 VanDerWaalsContact O-N 3.15Å; C227-C234 WeakPolarHBondContact CA-SG 3.41Å; C227-C234 HydrophobicContact CB-CB 3.63Å; C227-C234 WeakPolarHBondContact CB-SG 3.38Å; C227-C234 WeakPolarHBondContact SG-CB 3.49Å; C227-C234 CovalentContact SG-SG 2.03Å; C227-C234 PolarHBondContact SG-SG 3.48Å; C227-W247 HydrophobicContact CB-CH2 4.25Å; C227-W247 WeakPolarHBondContact SG-CH2 3.42Å
228	H	94.2	Very high	93.7	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.398	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.6	171.3	65.3	-84.4	0	0	0	112.3	P226	P226-H228 WeakPolarHBondContact CB-CE1 3.29Å; P226-H228 PolarHBondContact O-N 3.09Å
229	K	96.2	Very high	93.3	Very high	108 Å²	108	37.3 Å²	37.3	47%	0.47	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-18	171.6	-60.2	-172.7	172.9	-172.8	0	113.2	N194 T198 P226 C227	N194-K229 PolarHBondContact ND2-O 3.08Å; N194-K229 VanDerWaalsContact ND2-O 3.11Å; T198-K229 HydrophobicContact CG2-CB 4.24Å; T198-K229 HydrophobicContact CG2-CD 4.23Å; P226-K229 HydrophobicContact CB-CG 4.48Å; P226-K229 HydrophobicContact CG-CB 4.28Å; P226-K229 HydrophobicContact CG-CD 4.13Å; P226-K229 HydrophobicContact CG-CG 4.35Å; P226-K229 PolarHBondContact O-N 2.92Å; C227-K229 VanDerWaalsContact C-N 3.25Å; C227-K229 PolarHBondContact O-N 2.72Å
230	N	97	Very high	92.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.186	C	C	.	.			trans	-121.8	44.4	-175	-64.5	-71.3	0	0	0	112.2	N194 V195 T198 I225 P226 C227 K232 F233 C234	N194-N230 PolarHBondContact ND2-OD1 2.04Å; N194-N230 PolarHBondContact O-OD1 2.98Å; V195-N230 VanDerWaalsContact CA-OD1 3.26Å; V195-N230 WeakPolarHBondContact CA-OD1 3.34Å; V195-N230 HydrophobicContact CG2-CB 4.1Å; V195-N230 VanDerWaalsContact CG2-OD1 3.23Å; V195-N230 WeakPolarHBondContact CG2-OD1 3.41Å; V195-N230 PolarHBondContact N-OD1 3.11Å; T198-N230 PolarHBondContact OG1-ND2 3.16Å; T198-N230 PolarHBondContact OG1-OD1 2.9Å; I225-N230 HydrophobicContact CG2-CB 4.47Å; P226-N230 PolarHBondContact O-N 2.79Å; P226-N230 VanDerWaalsContact O-N 3.13Å; P226-N230 PolarHBondContact O-ND2 3.18Å; C227-N230 CarbonylContact O-C 3.54Å; C227-N230 PolarHBondContact O-N 2.74Å; N230-K232 PolarHBondContact O-N 3.48Å; N230-F233 HydrophobicContact CB-CB 4.18Å; N230-F233 PolarHBondContact O-N 3.36Å; N230-C234 PolarHBondContact O-N 3.09Å; N230-C234 PolarHBondContact O-SG 2.93Å
231	K	95.4	Very high	91.4	Very high	128 Å²	128	40.7 Å²	40.7	56%	0.557	19%	0.187	S	C	*	.	H	α-helix	trans	-56.7	-46.8	-171.7	-68.1	179.8	-175.7	172.8	0	112.5	C227 C234 K235	C227-K231 WeakPolarHBondContact O-CA 3.46Å; C227-K231 WeakPolarHBondContact O-CG 3.33Å; C227-K231 PolarHBondContact O-N 3.02Å; C227-K231 VanDerWaalsContact O-N 3.15Å; K231-C234 PolarHBondContact O-N 3.26Å; K231-K235 VanDerWaalsContact O-CB 3.24Å; K231-K235 WeakPolarHBondContact O-CB 3.48Å; K231-K235 VanDerWaalsContact O-CG 3.27Å; K231-K235 WeakPolarHBondContact O-CG 3.27Å; K231-K235 PolarHBondContact O-N 2.94Å
232	K	94.8	Very high	90.6	Very high	126 Å²	126	46.9 Å²	46.9	55%	0.548	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-47.7	-179.4	-64.9	-177.7	179.2	178.4	0	111.4	Y183 I191 N230 A236	Y183-K232 HydrophobicContact CE1-CD 4.07Å; I191-K232 HydrophobicContact CD1-CB 3.97Å; I191-K232 HydrophobicContact CD1-CD 4.18Å; I191-K232 HydrophobicContact CG1-CB 4.26Å; I191-K232 HydrophobicContact CG1-CD 4.32Å; N230-K232 PolarHBondContact O-N 3.48Å; K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.27Å; K232-A236 PolarHBondContact O-N 3.18Å
233	F	95.9	Very high	89.8	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-53.9	176.8	-179.8	-98.7	0	0	0	112.3	L134 L166 L170 A174 M178 I191 F192 V195 N230 K235 A236 L237	L134-F233 HydrophobicContact CD2-CD1 4.45Å; L134-F233 HydrophobicContact CD2-CE1 4.01Å; L166-F233 HydrophobicContact CD1-CZ 4.4Å; L170-F233 HydrophobicContact CD1-CE1 4.2Å; L170-F233 HydrophobicContact CD1-CZ 3.92Å; L170-F233 HydrophobicContact CD2-CZ 4.33Å; L170-F233 HydrophobicContact CG-CZ 4Å; A174-F233 HydrophobicContact CB-CD2 3.88Å; A174-F233 HydrophobicContact CB-CE2 3.22Å; A174-F233 HydrophobicContact CB-CZ 3.65Å; M178-F233 HydrophobicContact CE-CD2 4.46Å; I191-F233 HydrophobicContact CG2-CB 3.66Å; I191-F233 HydrophobicContact CG2-CD2 4.12Å; I191-F233 HydrophobicContact CG2-CG 4.4Å; F192-F233 HydrophobicContact CD1-CE2 4.04Å; F192-F233 HydrophobicContact CE1-CD2 4.42Å; F192-F233 AromaticContact CE1-CE2 3.65Å; F192-F233 HydrophobicContact CE1-CE2 3.65Å; F192-F233 HydrophobicContact CZ-CE2 4.42Å; V195-F233 HydrophobicContact CG2-CB 3.8Å; V195-F233 HydrophobicContact CG2-CD1 3.88Å; V195-F233 HydrophobicContact CG2-CD2 3.69Å; V195-F233 HydrophobicContact CG2-CE1 4.35Å; V195-F233 HydrophobicContact CG2-CE2 4.17Å; V195-F233 HydrophobicContact CG2-CG 3.51Å; V195-F233 HydrophobicContact CG2-CZ 4.49Å; N230-F233 HydrophobicContact CB-CB 4.18Å; N230-F233 PolarHBondContact O-N 3.36Å; F233-K235 PolarHBondContact O-N 3.27Å; F233-A236 PolarHBondContact O-N 2.89Å; F233-L237 WeakPolarHBondContact O-CB 3.12Å; F233-L237 PolarHBondContact O-N 3.5Å
234	C	95.3	Very high	89.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-36.2	-175.6	-60.4	0	0	0	0	112.5	C227 N230 K231 L237 T238 W247	C227-C234 WeakPolarHBondContact CA-SG 3.41Å; C227-C234 HydrophobicContact CB-CB 3.63Å; C227-C234 WeakPolarHBondContact CB-SG 3.38Å; C227-C234 WeakPolarHBondContact SG-CB 3.49Å; C227-C234 CovalentContact SG-SG 2.03Å; C227-C234 PolarHBondContact SG-SG 3.48Å; N230-C234 PolarHBondContact O-N 3.09Å; N230-C234 PolarHBondContact O-SG 2.93Å; K231-C234 PolarHBondContact O-N 3.26Å; C234-L237 PolarHBondContact O-N 3.45Å; C234-T238 WeakPolarHBondContact O-CG2 3.36Å; C234-T238 PolarHBondContact O-N 3.01Å; C234-T238 VanDerWaalsContact O-N 3.09Å; C234-T238 PolarHBondContact O-OG1 2.7Å; C234-T238 VanDerWaalsContact O-OG1 3.07Å; C234-W247 HydrophobicContact CB-CZ2 4.42Å
235	K	93	Very high	89.2	Confident	93 Å²	93	55.1 Å²	55.1	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-48.8	174.3	-79.2	-172.7	163.8	-151.3	0	111.8	W136 K231 F233 L237 T238 E239	W136-K235 HydrophobicContact CH2-CG 4.11Å; K231-K235 VanDerWaalsContact O-CB 3.24Å; K231-K235 WeakPolarHBondContact O-CB 3.48Å; K231-K235 VanDerWaalsContact O-CG 3.27Å; K231-K235 WeakPolarHBondContact O-CG 3.27Å; K231-K235 PolarHBondContact O-N 2.94Å; F233-K235 PolarHBondContact O-N 3.27Å; K235-L237 PolarHBondContact O-N 3.16Å; K235-T238 PolarHBondContact O-N 3.1Å; K235-E239 HydrophobicContact CB-CG 4.43Å; K235-E239 VanDerWaalsContact CD-OE1 3.31Å; K235-E239 WeakPolarHBondContact CD-OE1 3.18Å; K235-E239 WeakPolarHBondContact CG-OE1 3.4Å; K235-E239 IonicContact NZ-OE1 3.72Å; K235-E239 WeakPolarHBondContact O-CB 3.09Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.38Å
236	A	90.9	Very high	89	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-39.8	177.8	0	0	0	0	0	111.9	G177 M178 K232 F233	G177-A236 VanDerWaalsContact CA-O 3.27Å; G177-A236 WeakPolarHBondContact CA-O 3.43Å; M178-A236 HydrophobicContact CB-CB 4.25Å; M178-A236 HydrophobicContact CG-CB 3.42Å; M178-A236 VanDerWaalsContact CG-CB 3.42Å; K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.27Å; K232-A236 PolarHBondContact O-N 3.18Å; F233-A236 PolarHBondContact O-N 2.89Å
237	L	90.1	Very high	88.8	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-40.6	175.4	-173.6	70.8	0	0	0	112.7	L134 L145 F154 L170 F173 A174 F233 C234 K235 S241 F245	L134-L237 HydrophobicContact CD1-CD2 4.48Å; L134-L237 HydrophobicContact CD2-CD2 3.5Å; L134-L237 VanDerWaalsContact CD2-CD2 3.5Å; L145-L237 HydrophobicContact CD2-CD2 3.63Å; L145-L237 HydrophobicContact CD2-CG 4.43Å; F154-L237 HydrophobicContact CE2-CD2 4.36Å; F154-L237 HydrophobicContact CZ-CD2 4.1Å; L170-L237 HydrophobicContact CD1-CD1 4.31Å; L170-L237 HydrophobicContact CD1-CD2 3.84Å; F173-L237 HydrophobicContact CB-CD1 3.39Å; A174-L237 HydrophobicContact CB-CD1 4.31Å; F233-L237 WeakPolarHBondContact O-CB 3.12Å; F233-L237 PolarHBondContact O-N 3.5Å; C234-L237 PolarHBondContact O-N 3.45Å; K235-L237 PolarHBondContact O-N 3.16Å; L237-S241 WeakPolarHBondContact O-CB 3.2Å; L237-F245 HydrophobicContact CD1-CE2 4.18Å; L237-F245 HydrophobicContact CG-CD2 4.41Å; L237-F245 HydrophobicContact CG-CE2 4.22Å; L237-F245 WeakPolarHBondContact O-CD2 3.5Å
238	T	89.8	Confident	88.6	Confident	24 Å²	24	66.7 Å²	66.7	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-96.2	-40.5	-170.9	60.1	0	0	0	0	114.9	L145 C234 K235 Q240 S241 F245 W247	L145-T238 HydrophobicContact CD1-CG2 3.55Å; L145-T238 HydrophobicContact CD2-CG2 3.89Å; L145-T238 HydrophobicContact CG-CG2 4.4Å; C234-T238 WeakPolarHBondContact O-CG2 3.36Å; C234-T238 PolarHBondContact O-N 3.01Å; C234-T238 VanDerWaalsContact O-N 3.09Å; C234-T238 PolarHBondContact O-OG1 2.7Å; C234-T238 VanDerWaalsContact O-OG1 3.07Å; K235-T238 PolarHBondContact O-N 3.1Å; T238-Q240 VanDerWaalsContact C-N 3.25Å; T238-Q240 PolarHBondContact O-N 2.9Å; T238-S241 PolarHBondContact O-N 3.09Å; T238-S241 PolarHBondContact O-OG 2.91Å; T238-F245 HydrophobicContact CG2-CB 4.42Å; T238-W247 HydrophobicContact CG2-CZ2 4.1Å
239	E	84.7	Confident	88.6	Confident	112 Å²	112	69.8 Å²	69.8	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-26.4	-172.6	-68.9	173.3	179.3	0	0	112.1	K235	K235-E239 HydrophobicContact CB-CG 4.43Å; K235-E239 VanDerWaalsContact CD-OE1 3.31Å; K235-E239 WeakPolarHBondContact CD-OE1 3.18Å; K235-E239 WeakPolarHBondContact CG-OE1 3.4Å; K235-E239 IonicContact NZ-OE1 3.72Å; K235-E239 WeakPolarHBondContact O-CB 3.09Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.38Å
240	Q	72.4	Confident	88.2	Confident	67 Å²	67	66.9 Å²	66.9	31%	0.313	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	13.2	-176.7	-58.4	-58.3	-42.8	0	0	113.5	R180 T238	R180-Q240 HydrophobicContact CB-CB 4.34Å; R180-Q240 HydrophobicContact CB-CG 4.05Å; R180-Q240 PolarHBondContact NH1-O 2.96Å; T238-Q240 VanDerWaalsContact C-N 3.25Å; T238-Q240 PolarHBondContact O-N 2.9Å
241	S	73	Confident	87.8	Confident	6 Å²	6	69 Å²	69	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-99.1	6.4	-168.4	69.5	0	0	0	0	115.2	L237 T238 H243 Q244 F245	L237-S241 WeakPolarHBondContact O-CB 3.2Å; T238-S241 PolarHBondContact O-N 3.09Å; T238-S241 PolarHBondContact O-OG 2.91Å; S241-H243 VanDerWaalsContact C-N 3.31Å; S241-H243 PolarHBondContact O-N 2.95Å; S241-Q244 WeakPolarHBondContact O-CB 3.25Å; S241-Q244 WeakPolarHBondContact O-CG 3.42Å; S241-Q244 PolarHBondContact O-N 2.9Å; S241-F245 WeakPolarHBondContact OG-CD2 3.48Å
242	H	74.2	Confident	87.1	Confident	154 Å²	154	71 Å²	71	71%	0.713	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	50.9	176.9	-59.5	-78.5	0	0	0	114	Q244	H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.44Å
243	H	72.4	Confident	86.5	Confident	160 Å²	160	75.4 Å²	75.4	74%	0.741	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	5.3	-179.2	-50.2	-80.7	0	0	0	117.1	S241 F245	S241-H243 VanDerWaalsContact C-N 3.31Å; S241-H243 PolarHBondContact O-N 2.95Å; H243-F245 PolarHBondContact O-N 3.18Å
244	Q	84.2	Confident	85.8	Confident	54 Å²	54	77.6 Å²	77.6	25%	0.252	35%	0.349	S	S	.	.	S	Bend	trans	-61.8	-24.4	174.8	-70.5	172.7	1	0	0	113.4	Q147 E148 S241 H242	Q147-Q244 CarbonylContact C-O 3.59Å; Q147-Q244 WeakPolarHBondContact CA-O 3.23Å; E148-Q244 PolarHBondContact N-O 3.13Å; S241-Q244 WeakPolarHBondContact O-CB 3.25Å; S241-Q244 WeakPolarHBondContact O-CG 3.42Å; S241-Q244 PolarHBondContact O-N 2.9Å; H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.44Å
245	F	90.8	Very high	84.9	Confident	18 Å²	18	80.3 Å²	80.3	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.9	-179.7	-47.2	-65.3	0	0	0	112.7	L145 V146 Q147 F154 F173 L237 T238 S241 H243	L145-F245 HydrophobicContact CD1-CB 3.63Å; L145-F245 HydrophobicContact CD2-CB 4.08Å; L145-F245 HydrophobicContact CD2-CD1 4.44Å; L145-F245 HydrophobicContact CD2-CG 4.19Å; L145-F245 HydrophobicContact CG-CB 3.92Å; L145-F245 HydrophobicContact CG-CG 4.45Å; V146-F245 CarbonylContact O-C 3.45Å; V146-F245 VanDerWaalsContact O-CA 3.32Å; V146-F245 WeakPolarHBondContact O-CA 3.23Å; Q147-F245 HydrophobicContact CB-CD1 4.49Å; Q147-F245 HydrophobicContact CG-CD1 4.01Å; Q147-F245 HydrophobicContact CG-CE1 3.93Å; F154-F245 AromaticContact CE1-CE1 3.89Å; F154-F245 HydrophobicContact CE1-CE1 3.89Å; F154-F245 HydrophobicContact CE1-CZ 4.08Å; F154-F245 HydrophobicContact CZ-CD1 4.04Å; F154-F245 AromaticContact CZ-CE1 3.51Å; F154-F245 HydrophobicContact CZ-CE1 3.51Å; F154-F245 AromaticContact CZ-CZ 3.94Å; F154-F245 HydrophobicContact CZ-CZ 3.94Å; F173-F245 HydrophobicContact CD1-CZ 4.24Å; F173-F245 HydrophobicContact CD2-CZ 4.22Å; F173-F245 HydrophobicContact CE1-CZ 4.48Å; F173-F245 HydrophobicContact CE2-CZ 4.46Å; F173-F245 HydrophobicContact CG-CZ 4.12Å; L237-F245 HydrophobicContact CD1-CE2 4.18Å; L237-F245 HydrophobicContact CG-CD2 4.41Å; L237-F245 HydrophobicContact CG-CE2 4.22Å; L237-F245 WeakPolarHBondContact O-CD2 3.5Å; T238-F245 HydrophobicContact CG2-CB 4.42Å; S241-F245 WeakPolarHBondContact OG-CD2 3.48Å; H243-F245 PolarHBondContact O-N 3.18Å
246	Q	91.3	Very high	84	Confident	108 Å²	108	78.4 Å²	78.4	51%	0.505	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.6	178.5	-64.1	-176	-6.2	0	0	111.4	V146	V146-Q246 PolarHBondContact N-O 2.63Å; V146-Q246 PolarHBondContact O-N 2.83Å
247	W	93	Very high	83.2	Confident	56 Å²	56	81.3 Å²	81.3	21%	0.212	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.6	171.4	-71.5	100.5	0	0	0	109.8	L134 W136 F144 L145 C227 C234 T238	L134-W247 HydrophobicContact CB-CH2 4.13Å; W136-W247 HydrophobicContact CB-CE3 4.06Å; W136-W247 HydrophobicContact CB-CH2 4.05Å; W136-W247 HydrophobicContact CB-CZ3 3.71Å; W136-W247 HydrophobicContact CE3-CD2 4.2Å; W136-W247 AromaticContact CE3-CE2 3.56Å; W136-W247 AromaticContact CE3-CH2 3.96Å; W136-W247 HydrophobicContact CE3-CH2 3.96Å; W136-W247 AromaticContact CE3-CZ2 3.45Å; W136-W247 HydrophobicContact CE3-CZ2 3.45Å; W136-W247 VanDerWaalsContact CE3-CZ2 3.45Å; W136-W247 HydrophobicContact CE3-CZ3 4.49Å; W136-W247 AromaticContact CE3-NE1 3.95Å; W136-W247 AromaticContact CZ3-CZ2 4Å; W136-W247 HydrophobicContact CZ3-CZ2 4Å; F144-W247 VanDerWaalsContact C-CE3 3.48Å; F144-W247 WeakPolarHBondContact O-CA 3.26Å; L145-W247 HydrophobicContact CB-CE3 4.31Å; L145-W247 HydrophobicContact CB-CH2 3.91Å; L145-W247 HydrophobicContact CB-CZ2 4.3Å; L145-W247 HydrophobicContact CB-CZ3 3.93Å; L145-W247 HydrophobicContact CD1-CD2 3.95Å; L145-W247 HydrophobicContact CD1-CE3 4.4Å; L145-W247 HydrophobicContact CD1-CG 4.3Å; L145-W247 HydrophobicContact CD1-CH2 4.32Å; L145-W247 HydrophobicContact CD1-CZ2 3.87Å; L145-W247 HydrophobicContact CG-CZ2 4.5Å; C227-W247 HydrophobicContact CB-CH2 4.25Å; C227-W247 WeakPolarHBondContact SG-CH2 3.42Å; C234-W247 HydrophobicContact CB-CZ2 4.42Å; T238-W247 HydrophobicContact CG2-CZ2 4.1Å
248	K	92.9	Very high	82.6	Confident	91 Å²	91	81.8 Å²	81.8	40%	0.396	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.4	173.4	-65.9	-166.5	-177.4	178.4	0	110.4	Y143 F144 V146 L250	Y143-K248 CarbonylContact C-O 3.59Å; Y143-K248 WeakPolarHBondContact CA-O 3.47Å; F144-K248 HydrophobicContact CD1-CB 4.24Å; F144-K248 WeakPolarHBondContact CD1-O 3.17Å; F144-K248 HydrophobicContact CE1-CB 3.55Å; F144-K248 HydrophobicContact CZ-CB 3.85Å; F144-K248 PolarHBondContact N-O 2.9Å; F144-K248 PolarHBondContact O-N 3.32Å; V146-K248 HydrophobicContact CB-CD 4.37Å; V146-K248 HydrophobicContact CB-CG 4.46Å; V146-K248 HydrophobicContact CG2-CB 4.1Å; V146-K248 HydrophobicContact CG2-CD 3.94Å; V146-K248 HydrophobicContact CG2-CG 3.94Å; K248-L250 PolarHBondContact O-N 3.34Å
249	R	93.1	Very high	81.7	Confident	152 Å²	152	83.3 Å²	83.3	57%	0.574	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	176.4	-168	178.4	91.8	-171.5	7.6	108.8	Y143 T251 I254	Y143-R249 HydrophobicContact CD1-CB 4.17Å; Y143-R249 HydrophobicContact CE1-CB 4Å; Y143-R249 HydrophobicContact CE1-CG 4.28Å; R249-T251 PolarHBondContact O-N 2.81Å; R249-I254 VanDerWaalsContact O-CD1 3.3Å; R249-I254 WeakPolarHBondContact O-CD1 3.12Å
250	L	88.4	Confident	80.9	Confident	47 Å²	47	80.4 Å²	80.4	25%	0.246	39%	0.391	C	S	.	.			trans	-73.1	117.8	172.9	-168.2	68.8	0	0	0	108.5	T142 F144 K248 I254 T255 L258	T142-L250 HydrophobicContact CG2-CB 4.12Å; T142-L250 HydrophobicContact CG2-CD2 3.77Å; T142-L250 WeakPolarHBondContact O-CB 3.28Å; T142-L250 PolarHBondContact O-N 2.76Å; F144-L250 HydrophobicContact CD1-CB 4.24Å; F144-L250 HydrophobicContact CD1-CD1 3.92Å; F144-L250 HydrophobicContact CE1-CD1 4.36Å; F144-L250 HydrophobicContact CG-CD1 4.45Å; K248-L250 PolarHBondContact O-N 3.34Å; L250-I254 HydrophobicContact CD1-CB 4.46Å; L250-I254 HydrophobicContact CD1-CG2 3.89Å; L250-T255 WeakPolarHBondContact CG-OG1 3.17Å; L250-L258 HydrophobicContact CD1-CD1 3.7Å
251	T	87.4	Confident	80.7	Confident	47 Å²	47	81.1 Å²	81.1	29%	0.288	40%	0.396	S	S	.	.			trans	-112.8	162.7	174.6	66.1	0	0	0	0	109.3	R249 R253 I254 T255	R249-T251 PolarHBondContact O-N 2.81Å; T251-R253 PolarHBondContact O-N 2.81Å; T251-I254 HydrophobicContact CG2-CD1 4.33Å; T251-I254 CarbonylContact O-C 3.52Å; T251-I254 PolarHBondContact O-N 2.57Å; T251-I254 WeakPolarHBondContact OG1-CG1 3.23Å; T251-I254 PolarHBondContact OG1-N 2.95Å; T251-T255 PolarHBondContact O-N 3.12Å; T251-T255 PolarHBondContact O-OG1 3.45Å; T251-T255 VanDerWaalsContact O-OG1 3.06Å
252	H	82.4	Confident	80.2	Confident	170 Å²	170	81.5 Å²	81.5	79%	0.787	40%	0.398	S	S	*	.	H	α-helix	trans	-52.9	-42.8	176.5	-174.2	-91.2	0	0	0	112.5	I254 T255 A256	H252-I254 PolarHBondContact O-N 2.62Å; H252-T255 PolarHBondContact O-N 2.86Å; H252-A256 WeakPolarHBondContact O-CB 3.1Å; H252-A256 PolarHBondContact O-N 2.89Å
253	R	81.9	Confident	79.6	Confident	219 Å²	219	76.9 Å²	76.9	83%	0.826	38%	0.378	S	S	*	.	H	α-helix	trans	-61.2	-42.8	175.9	-175	177.9	178.8	178.7	0.5	112.5	T251 A256 S257	T251-R253 PolarHBondContact O-N 2.81Å; R253-A256 PolarHBondContact O-N 3.03Å; R253-S257 PolarHBondContact O-N 2.71Å
254	I	81	Confident	78.8	Confident	47 Å²	47	71.5 Å²	71.5	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-70.5	-40.4	177.9	-67.2	169	0	0	0	110.6	F144 R249 L250 T251 H252 A256 S257 L258	F144-I254 HydrophobicContact CD1-CG2 4.33Å; F144-I254 HydrophobicContact CE1-CD1 4.16Å; F144-I254 HydrophobicContact CE1-CG2 3.49Å; F144-I254 VanDerWaalsContact CE1-CG2 3.49Å; F144-I254 HydrophobicContact CE2-CG2 4.22Å; F144-I254 HydrophobicContact CZ-CD1 4.43Å; F144-I254 HydrophobicContact CZ-CG2 3.41Å; F144-I254 VanDerWaalsContact CZ-CG2 3.41Å; R249-I254 VanDerWaalsContact O-CD1 3.3Å; R249-I254 WeakPolarHBondContact O-CD1 3.12Å; L250-I254 HydrophobicContact CD1-CB 4.46Å; L250-I254 HydrophobicContact CD1-CG2 3.89Å; T251-I254 HydrophobicContact CG2-CD1 4.33Å; T251-I254 CarbonylContact O-C 3.52Å; T251-I254 PolarHBondContact O-N 2.57Å; T251-I254 WeakPolarHBondContact OG1-CG1 3.23Å; T251-I254 PolarHBondContact OG1-N 2.95Å; H252-I254 PolarHBondContact O-N 2.62Å; I254-A256 VanDerWaalsContact C-N 3.31Å; I254-A256 PolarHBondContact O-N 2.88Å; I254-S257 CarbonylContact O-C 3.52Å; I254-S257 WeakPolarHBondContact O-CB 3.35Å; I254-S257 PolarHBondContact O-N 2.89Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-L258 HydrophobicContact CG2-CD1 3.98Å; I254-L258 HydrophobicContact CG2-CG 4.14Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 2.93Å
255	T	75.7	Confident	77.3	Confident	56 Å²	56	71.3 Å²	71.3	34%	0.344	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-47.4	174.3	-55	0	0	0	0	110.4	L250 T251 H252 S257 L258 M259	L250-T255 WeakPolarHBondContact CG-OG1 3.17Å; T251-T255 PolarHBondContact O-N 3.12Å; T251-T255 PolarHBondContact O-OG1 3.45Å; T251-T255 VanDerWaalsContact O-OG1 3.06Å; H252-T255 PolarHBondContact O-N 2.86Å; T255-S257 VanDerWaalsContact C-N 3.31Å; T255-S257 PolarHBondContact O-N 3.39Å; T255-L258 PolarHBondContact O-N 3Å; T255-M259 HydrophobicContact CG2-CG 4.38Å; T255-M259 VanDerWaalsContact O-CB 3.31Å; T255-M259 WeakPolarHBondContact O-CB 3.32Å; T255-M259 WeakPolarHBondContact O-CG 3.36Å; T255-M259 PolarHBondContact O-N 2.79Å
256	A	73.9	Confident	75.3	Confident	53 Å²	53	70.6 Å²	70.6	44%	0.438	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-39.6	175.2	0	0	0	0	0	112.1	H252 R253 I254 A260	H252-A256 WeakPolarHBondContact O-CB 3.1Å; H252-A256 PolarHBondContact O-N 2.89Å; R253-A256 PolarHBondContact O-N 3.03Å; I254-A256 VanDerWaalsContact C-N 3.31Å; I254-A256 PolarHBondContact O-N 2.88Å; A256-A260 WeakPolarHBondContact O-CB 3.49Å; A256-A260 PolarHBondContact O-N 3.23Å
257	S	75.6	Confident	72.8	Confident	62 Å²	62	71.9 Å²	71.9	43%	0.434	37%	0.365	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.3	-168.9	0	0	0	0	112.9	R253 I254 T255 A260 D261	R253-S257 PolarHBondContact O-N 2.71Å; I254-S257 CarbonylContact O-C 3.52Å; I254-S257 WeakPolarHBondContact O-CB 3.35Å; I254-S257 PolarHBondContact O-N 2.89Å; I254-S257 VanDerWaalsContact O-N 3.12Å; T255-S257 VanDerWaalsContact C-N 3.31Å; T255-S257 PolarHBondContact O-N 3.39Å; S257-A260 CarbonylContact O-C 3.46Å; S257-A260 PolarHBondContact O-N 2.87Å; S257-D261 WeakPolarHBondContact O-CB 3.43Å; S257-D261 PolarHBondContact O-N 2.77Å
258	L	76.6	Confident	70.5	Confident	14 Å²	14	79 Å²	79	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177	-72.4	175.3	0	0	0	110.5	L133 F144 A152 Y153 L250 I254 T255 D261 M262	L133-L258 HydrophobicContact CD2-CD1 4.15Å; F144-L258 HydrophobicContact CD2-CD1 4.09Å; F144-L258 HydrophobicContact CE2-CD1 4.21Å; F144-L258 HydrophobicContact CE2-CD2 4.31Å; F144-L258 HydrophobicContact CG-CD1 4.35Å; A152-L258 HydrophobicContact CB-CD2 3.59Å; Y153-L258 HydrophobicContact CE2-CD2 3.94Å; Y153-L258 WeakPolarHBondContact OH-CB 3.3Å; Y153-L258 PolarHBondContact OH-O 2.81Å; L250-L258 HydrophobicContact CD1-CD1 3.7Å; I254-L258 HydrophobicContact CG2-CD1 3.98Å; I254-L258 HydrophobicContact CG2-CG 4.14Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 2.93Å; T255-L258 PolarHBondContact O-N 3Å; L258-D261 PolarHBondContact O-N 3.1Å; L258-M262 WeakPolarHBondContact O-CB 3.32Å; L258-M262 WeakPolarHBondContact O-CG 3.29Å; L258-M262 PolarHBondContact O-N 3.33Å
259	M	70.6	Confident	68.3	Low	57 Å²	57	76.2 Å²	76.2	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-47.9	172	-73.1	-61.2	-68.2	0	0	111	Y202 T255 D261 M262 L263	Y202-M259 HydrophobicContact CE1-CE 4Å; Y202-M259 HydrophobicContact CE1-SD 3.71Å; Y202-M259 WeakPolarHBondContact OH-CE 3.23Å; Y202-M259 PolarHBondContact OH-SD 3.06Å; T255-M259 HydrophobicContact CG2-CG 4.38Å; T255-M259 VanDerWaalsContact O-CB 3.31Å; T255-M259 WeakPolarHBondContact O-CB 3.32Å; T255-M259 WeakPolarHBondContact O-CG 3.36Å; T255-M259 PolarHBondContact O-N 2.79Å; M259-D261 VanDerWaalsContact C-N 3.29Å; M259-D261 PolarHBondContact O-N 3.34Å; M259-M262 WeakPolarHBondContact O-CB 3.45Å; M259-M262 PolarHBondContact O-N 3.09Å; M259-M262 HydrophobicContact SD-SD 4.22Å; M259-L263 WeakPolarHBondContact O-CB 3.09Å; M259-L263 WeakPolarHBondContact O-CG 3.32Å; M259-L263 PolarHBondContact O-N 3.02Å
260	A	68	Low	66.3	Low	51 Å²	51	79 Å²	79	42%	0.421	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-37.8	175.7	0	0	0	0	0	111.3	A256 S257 L263 A264	A256-A260 WeakPolarHBondContact O-CB 3.49Å; A256-A260 PolarHBondContact O-N 3.23Å; S257-A260 CarbonylContact O-C 3.46Å; S257-A260 PolarHBondContact O-N 2.87Å; A260-L263 CarbonylContact O-C 3.57Å; A260-L263 PolarHBondContact O-N 2.83Å; A260-A264 VanDerWaalsContact O-CA 3.25Å; A260-A264 WeakPolarHBondContact O-CA 3.47Å; A260-A264 WeakPolarHBondContact O-CB 3.44Å; A260-A264 PolarHBondContact O-N 3.33Å
261	D	68.1	Low	64.5	Low	81 Å²	81	79 Å²	79	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-69.4	-41.2	176.4	-78	-8.5	0	0	0	112.1	S257 L258 M259 L263 A264	S257-D261 WeakPolarHBondContact O-CB 3.43Å; S257-D261 PolarHBondContact O-N 2.77Å; L258-D261 PolarHBondContact O-N 3.1Å; M259-D261 VanDerWaalsContact C-N 3.29Å; M259-D261 PolarHBondContact O-N 3.34Å; D261-L263 PolarHBondContact O-N 2.81Å; D261-A264 PolarHBondContact O-N 2.75Å
262	M	62.6	Low	62.8	Low	14 Å²	14	79.7 Å²	79.7	7%	0.069	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-38.6	173.3	-68.9	167.4	103.5	0	0	111	Y153 Y202 F222 L258 M259 T265	Y153-M262 HydrophobicContact CE1-CE 4.36Å; Y153-M262 HydrophobicContact CE1-CG 4.14Å; Y153-M262 HydrophobicContact CE1-SD 4.4Å; Y153-M262 WeakPolarHBondContact OH-CG 3.37Å; Y153-M262 PolarHBondContact OH-SD 3.4Å; Y202-M262 HydrophobicContact CD1-CE 3.41Å; Y202-M262 VanDerWaalsContact CD1-CE 3.41Å; Y202-M262 HydrophobicContact CD1-SD 4.27Å; Y202-M262 HydrophobicContact CE1-CE 4.01Å; Y202-M262 HydrophobicContact CE1-SD 4.29Å; Y202-M262 HydrophobicContact CG-CE 4.12Å; F222-M262 HydrophobicContact CB-CE 3.67Å; F222-M262 HydrophobicContact CD1-CB 4.29Å; F222-M262 HydrophobicContact CD1-CE 3.31Å; F222-M262 HydrophobicContact CD1-CG 3.82Å; F222-M262 HydrophobicContact CD1-SD 4.42Å; F222-M262 HydrophobicContact CE1-CB 3.74Å; F222-M262 HydrophobicContact CE1-CE 4.1Å; F222-M262 HydrophobicContact CE1-CG 3.62Å; F222-M262 HydrophobicContact CG-CE 3.76Å; F222-M262 HydrophobicContact CZ-CB 4.28Å; L258-M262 WeakPolarHBondContact O-CB 3.32Å; L258-M262 WeakPolarHBondContact O-CG 3.29Å; L258-M262 PolarHBondContact O-N 3.33Å; M259-M262 WeakPolarHBondContact O-CB 3.45Å; M259-M262 PolarHBondContact O-N 3.09Å; M259-M262 HydrophobicContact SD-SD 4.22Å; M262-T265 PolarHBondContact O-OG1 3.2Å
263	L	61.6	Low	61.3	Low	58 Å²	58	75.2 Å²	75.2	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-89	-20.4	-180	-66	178.7	0	0	0	112.7	M259 A260 D261 T265 Q266 F267	M259-L263 WeakPolarHBondContact O-CB 3.09Å; M259-L263 WeakPolarHBondContact O-CG 3.32Å; M259-L263 PolarHBondContact O-N 3.02Å; A260-L263 CarbonylContact O-C 3.57Å; A260-L263 PolarHBondContact O-N 2.83Å; D261-L263 PolarHBondContact O-N 2.81Å; L263-T265 PolarHBondContact O-N 2.83Å; L263-Q266 CarbonylContact O-C 3.51Å; L263-Q266 WeakPolarHBondContact O-CA 3.38Å; L263-Q266 WeakPolarHBondContact O-CB 3.48Å; L263-Q266 WeakPolarHBondContact O-CG 3.38Å; L263-Q266 PolarHBondContact O-N 2.87Å; L263-F267 HydrophobicContact CB-CD2 3.76Å; L263-F267 HydrophobicContact CB-CE2 3.7Å; L263-F267 HydrophobicContact CD1-CE2 4.26Å; L263-F267 HydrophobicContact CD2-CE2 4.37Å; L263-F267 HydrophobicContact CG-CE2 4.32Å; L263-F267 WeakPolarHBondContact O-CD2 3.45Å; L263-F267 PolarHBondContact O-N 2.89Å; L263-F267 VanDerWaalsContact O-N 3.11Å
264	A	56.1	Low	60.2	Low	47 Å²	47	65.9 Å²	65.9	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-75.5	-19.8	-175.9	0	0	0	0	0	111.1	A260 D261 Q266	A260-A264 VanDerWaalsContact O-CA 3.25Å; A260-A264 WeakPolarHBondContact O-CA 3.47Å; A260-A264 WeakPolarHBondContact O-CB 3.44Å; A260-A264 PolarHBondContact O-N 3.33Å; D261-A264 PolarHBondContact O-N 2.75Å; A264-Q266 PolarHBondContact O-N 3.09Å
265	T	52	Low	59.3	Low	49 Å²	49	66.7 Å²	66.7	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-56.6	-18.8	158	19.2	0	0	0	0	113.2	M262 L263	M262-T265 PolarHBondContact O-OG1 3.2Å; L263-T265 PolarHBondContact O-N 2.83Å
266	Q	49.1	Very low	59.2	Low	4 Å²	4	67.3 Å²	67.3	2%	0.019	37%	0.367	C	S	.	.	H	α-helix	trans	-106.8	-29.2	-177.4	-43.1	176.8	-40.2	0	0	113.7	I207 L263 A264 T269 Y273	I207-Q266 HydrophobicContact CD1-CG 4.35Å; L263-Q266 CarbonylContact O-C 3.51Å; L263-Q266 WeakPolarHBondContact O-CA 3.38Å; L263-Q266 WeakPolarHBondContact O-CB 3.48Å; L263-Q266 WeakPolarHBondContact O-CG 3.38Å; L263-Q266 PolarHBondContact O-N 2.87Å; A264-Q266 PolarHBondContact O-N 3.09Å; Q266-T269 PolarHBondContact O-OG1 3.39Å; Q266-Y273 WeakPolarHBondContact CB-OH 3.14Å; Q266-Y273 PolarHBondContact OE1-OH 2.97Å
267	F	39.7	Very low	59.5	Low	135 Å²	135	65.8 Å²	65.8	59%	0.592	35%	0.35	S	S	*	.	H	α-helix	trans	-102.8	-10.4	-164.8	-75	-69.2	0	0	0	118.1	L263 T269	L263-F267 HydrophobicContact CB-CD2 3.76Å; L263-F267 HydrophobicContact CB-CE2 3.7Å; L263-F267 HydrophobicContact CD1-CE2 4.26Å; L263-F267 HydrophobicContact CD2-CE2 4.37Å; L263-F267 HydrophobicContact CG-CE2 4.32Å; L263-F267 WeakPolarHBondContact O-CD2 3.45Å; L263-F267 PolarHBondContact O-N 2.89Å; L263-F267 VanDerWaalsContact O-N 3.11Å; F267-T269 PolarHBondContact O-N 3.01Å
268	K	44.5	Very low	59.9	Low	205 Å²	205	63.5 Å²	63.5	89%	0.891	33%	0.334	S	S	*	.	S	Bend	trans	-73.1	-12	171.2	-81.4	-166.9	178.9	-177.3	0	113.3
269	T	46.3	Very low	60	Low	33 Å²	33	63.5 Å²	63.5	20%	0.202	34%	0.336	C	S	.	.	S	Bend	trans	-101.2	125.2	179.8	51.3	0	0	0	0	109.6	R210 Q266 F267 I271	R210-T269 HydrophobicContact CB-CG2 4.21Å; Q266-T269 PolarHBondContact O-OG1 3.39Å; F267-T269 PolarHBondContact O-N 3.01Å; T269-I271 HydrophobicContact CG2-CD1 3.78Å; T269-I271 HydrophobicContact CG2-CG1 4.4Å; T269-I271 PolarHBondContact O-N 3.05Å
270	K	49.8	Very low	60	Low	211 Å²	211	64.8 Å²	64.8	92%	0.917	35%	0.346	S	S	*	.			trans	-67.4	36.1	163.5	-67.1	-176.1	175	-175.6	0	111.6	P272	K270-P272 WeakPolarHBondContact O-CD 3.33Å
271	I	51	Low	59.9	Low	45 Å²	45	65.1 Å²	65.1	23%	0.231	35%	0.345	C	S	.	.			trans	-85.4	116.5	178.9	-67.8	165.2	0	0	0	106.4	P208 T269 Y273	P208-I271 HydrophobicContact CB-CB 4.21Å; P208-I271 HydrophobicContact CB-CG2 3.73Å; T269-I271 HydrophobicContact CG2-CD1 3.78Å; T269-I271 HydrophobicContact CG2-CG1 4.4Å; T269-I271 PolarHBondContact O-N 3.05Å; I271-Y273 PolarHBondContact O-N 3.3Å
272	P	51.3	Low	59.3	Low	63 Å²	63	71.6 Å²	71.6	41%	0.409	37%	0.369	S	S	.	.			trans	-61.2	138.8	175.8	24.3	-31.6	0	0	0	110.2	L41 K270 H274	L41-P272 HydrophobicContact CD2-CB 4.08Å; L41-P272 HydrophobicContact CD2-CG 3.75Å; K270-P272 WeakPolarHBondContact O-CD 3.33Å; P272-H274 PolarHBondContact O-N 3.32Å
273	Y	51.4	Low	59.2	Low	75 Å²	75	74.5 Å²	74.5	29%	0.294	38%	0.384	S	S	.	.			trans	-65.7	105.2	172.9	-88.9	-100.7	0	0	0	109.5	P208 Q266 I271	P208-Y273 HydrophobicContact CG-CD1 4.37Å; P208-Y273 HydrophobicContact CG-CD2 4.48Å; P208-Y273 HydrophobicContact CG-CE1 4.1Å; P208-Y273 HydrophobicContact CG-CE2 4.19Å; Q266-Y273 WeakPolarHBondContact CB-OH 3.14Å; Q266-Y273 PolarHBondContact OE1-OH 2.97Å; I271-Y273 PolarHBondContact O-N 3.3Å
274	H	59.6	Low	59	Low	24 Å²	24	75.3 Å²	75.3	11%	0.111	39%	0.388	C	S	.	.			trans	-60.5	142.2	166.8	-158.7	-71.2	0	0	0	109.2	A110 P272 N276 Y277	A110-H274 HydrophobicContact CB-CB 4.37Å; A110-H274 PolarHBondContact O-CD2 2.85Å; P272-H274 PolarHBondContact O-N 3.32Å; H274-N276 PolarHBondContact CE1-ND2 3.35Å; H274-N276 PolarHBondContact CE1-OD1 2.81Å; H274-N276 WeakPolarHBondContact ND1-CB 3.4Å; H274-N276 PolarHBondContact ND1-N 3.36Å; H274-N276 PolarHBondContact ND1-ND2 3.39Å; H274-N276 PolarHBondContact ND1-OD1 2.72Å; H274-N276 PolarHBondContact O-N 3.32Å; H274-Y277 HydrophobicContact CB-CD2 3.75Å; H274-Y277 HydrophobicContact CB-CE2 3.76Å; H274-Y277 PolarHBondContact O-N 3.26Å; H274-Y277 VanDerWaalsContact O-N 3.16Å
275	A	62.2	Low	59.2	Low	64 Å²	64	76.9 Å²	76.9	53%	0.529	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.2	171.9	0	0	0	0	0	113.5	K282	A275-K282 HydrophobicContact CB-CD 4.06Å
276	N	72.6	Confident	59.6	Low	68 Å²	68	78.5 Å²	78.5	36%	0.364	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.2	-175.9	-60.9	4.4	0	0	0	111.6	P109 H274 T278	P109-N276 VanDerWaalsContact O-CB 3.25Å; P109-N276 WeakPolarHBondContact O-CB 3.32Å; P109-N276 PolarHBondContact O-ND2 3.33Å; H274-N276 PolarHBondContact CE1-ND2 3.35Å; H274-N276 PolarHBondContact CE1-OD1 2.81Å; H274-N276 WeakPolarHBondContact ND1-CB 3.4Å; H274-N276 PolarHBondContact ND1-N 3.36Å; H274-N276 PolarHBondContact ND1-ND2 3.39Å; H274-N276 PolarHBondContact ND1-OD1 2.72Å; H274-N276 PolarHBondContact O-N 3.32Å; N276-T278 PolarHBondContact O-N 2.9Å
277	Y	80.6	Confident	60.3	Low	21 Å²	21	83.2 Å²	83.2	8%	0.082	42%	0.417	C	S	.	.			trans	-72.4	126.8	165.2	-70.6	-56.7	0	0	0	108.8	A110 S206 I207 P208 H274	A110-Y277 HydrophobicContact CB-CD1 4.1Å; A110-Y277 HydrophobicContact CB-CE1 3.5Å; A110-Y277 HydrophobicContact CB-CE2 4.29Å; S206-Y277 WeakPolarHBondContact OG-CA 3.49Å; I207-Y277 VanDerWaalsContact C-CD1 3.43Å; I207-Y277 VanDerWaalsContact C-CE1 3.41Å; I207-Y277 WeakPolarHBondContact O-CE1 3.45Å; P208-Y277 VanDerWaalsContact CA-CZ 3.46Å; P208-Y277 HydrophobicContact CB-CD2 4.34Å; P208-Y277 HydrophobicContact CB-CE1 4.5Å; P208-Y277 HydrophobicContact CB-CE2 3.7Å; P208-Y277 HydrophobicContact CG-CD2 4.38Å; P208-Y277 HydrophobicContact CG-CE2 4.22Å; H274-Y277 HydrophobicContact CB-CD2 3.75Å; H274-Y277 HydrophobicContact CB-CE2 3.76Å; H274-Y277 PolarHBondContact O-N 3.26Å; H274-Y277 VanDerWaalsContact O-N 3.16Å
278	T	83.2	Confident	61.6	Low	15 Å²	15	79.7 Å²	79.7	9%	0.092	41%	0.405	C	S	.	.	S	Bend	trans	-99.4	-0.2	-167.1	55.9	0	0	0	0	113.3	R89 T92 C94 S206 N276	R89-T278 PolarHBondContact NH2-OG1 2.77Å; T92-T278 WeakPolarHBondContact CB-O 3.14Å; T92-T278 WeakPolarHBondContact CG2-O 3.33Å; C94-T278 PolarHBondContact SG-O 2.68Å; S206-T278 PolarHBondContact N-OG1 3.04Å; S206-T278 PolarHBondContact O-N 3.01Å; S206-T278 PolarHBondContact OG-N 2.91Å; S206-T278 PolarHBondContact OG-OG1 3.42Å; N276-T278 PolarHBondContact O-N 2.9Å
279	A	78.8	Confident	62.9	Low	14 Å²	14	70.8 Å²	70.8	12%	0.116	37%	0.371	C	S	.	.	S	Bend	trans	-75.7	-28.4	177.6	0	0	0	0	0	113.1	L203 S204 S206 I207	L203-A279 HydrophobicContact CD1-CB 4.06Å; L203-A279 WeakPolarHBondContact CD1-O 3.46Å; L203-A279 HydrophobicContact CG-CB 4.36Å; S204-A279 WeakPolarHBondContact O-CA 3.25Å; S206-A279 VanDerWaalsContact O-CB 3.27Å; S206-A279 WeakPolarHBondContact O-CB 3.47Å; S206-A279 PolarHBondContact O-N 3.35Å; S206-A279 VanDerWaalsContact O-N 3.12Å; I207-A279 HydrophobicContact CG2-CB 3.42Å; I207-A279 VanDerWaalsContact CG2-CB 3.42Å
280	V	71.2	Confident	64.2	Low	83 Å²	83	73.7 Å²	73.7	50%	0.503	38%	0.384	S	S	.	.	S	Bend	trans	-132.9	110.5	176.8	-177.3	0	0	0	0	106.4
281	C	66.2	Low	65.3	Low	59 Å²	59	62.3 Å²	62.3	40%	0.399	34%	0.339	S	S	.	.			trans	-70.6	138.2	173.6	-44	0	0	0	0	108.3	C94	C94-C281 WeakPolarHBondContact CA-SG 3.48Å; C94-C281 HydrophobicContact CB-CB 4.02Å; C94-C281 WeakPolarHBondContact CB-SG 3.49Å; C94-C281 PolarHBondContact N-SG 3.25Å; C94-C281 WeakPolarHBondContact SG-CA 3.17Å; C94-C281 WeakPolarHBondContact SG-CB 3.31Å; C94-C281 PolarHBondContact SG-N 3.41Å; C94-C281 VanDerWaalsContact SG-N 3.35Å; C94-C281 CovalentContact SG-SG 2.04Å; C94-C281 PolarHBondContact SG-SG 3.02Å
282	K	56.1	Low	66.6	Low	216 Å²	216	63.8 Å²	63.8	94%	0.939	35%	0.349	S	S	*	.			trans	-74.6	0	168.7	-71	-172.4	178.8	-178.3	0	110.4	A275	A275-K282 HydrophobicContact CB-CD 4.06Å

Retrieved 282 of 282 residues in 81.9 ms (Link to these results)

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