A0A5K4FBU4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FBU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61	Low	55.4	Low	192 Å²	192	123.9 Å²	123.9	95%	0.946	61%	0.607	S	S	*	*				0	-52.7	0	-151.8	174.6	83.7	0	0	112.2	L3 F4 I5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.07Å; M1-F4 PolarHBondContact O-N 2.78Å; M1-I5 PolarHBondContact O-N 2.78Å
2	L	62.4	Low	54.5	Low	134 Å²	134	119.6 Å²	119.6	70%	0.702	59%	0.587	S	S	*	*	H	α-helix	trans	-56.6	-40.5	178.9	-148	89.6	0	0	0	114	F4 I5 I6	L2-F4 PolarHBondContact O-N 3.22Å; L2-I5 PolarHBondContact O-N 3.4Å; L2-I6 HydrophobicContact CD2-CD1 4.49Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 2.99Å; L2-I6 VanDerWaalsContact O-N 3.16Å
3	L	61.9	Low	52.9	Low	126 Å²	126	117 Å²	117	66%	0.66	58%	0.577	S	S	*	*	H	α-helix	trans	-62.7	-38.5	179.7	-150.2	97	0	0	0	113	M1 I6 I7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 3.15Å; L3-I7 HydrophobicContact CD2-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.96Å; L3-I7 VanDerWaalsContact O-N 3.12Å
4	F	61.4	Low	51.7	Low	168 Å²	168	118.6 Å²	118.6	74%	0.737	58%	0.575	S	S	*	*	H	α-helix	trans	-66.5	-38.1	177.2	-92.3	-87.3	0	0	0	111.8	M1 L2 F8	M1-F4 PolarHBondContact O-N 2.78Å; L2-F4 PolarHBondContact O-N 3.22Å; F4-F8 VanDerWaalsContact O-CB 3.24Å; F4-F8 WeakPolarHBondContact O-CB 3.31Å; F4-F8 PolarHBondContact O-N 3.42Å
5	I	64.2	Low	50.4	Low	84 Å²	84	120.8 Å²	120.8	43%	0.431	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-40.5	178.1	-63.9	170.8	0	0	0	110.5	M1 L2 F8 I9	M1-I5 PolarHBondContact O-N 2.78Å; L2-I5 PolarHBondContact O-N 3.4Å; I5-F8 PolarHBondContact O-N 2.63Å; I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.07Å
6	I	60.4	Low	49.3	Very low	100 Å²	100	118.8 Å²	118.8	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-66.4	-46.2	178.8	-65.3	167.4	0	0	0	111.1	L2 L3 F8 I9 Y10	L2-I6 HydrophobicContact CD2-CD1 4.49Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 2.99Å; L2-I6 VanDerWaalsContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 3.15Å; I6-F8 VanDerWaalsContact C-N 3.28Å; I6-F8 PolarHBondContact O-N 2.81Å; I6-I9 PolarHBondContact O-N 2.87Å; I6-Y10 WeakPolarHBondContact O-CB 3.21Å; I6-Y10 PolarHBondContact O-N 3.26Å
7	I	58.2	Low	48	Very low	98 Å²	98	119.2 Å²	119.2	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-41.5	176.3	-66.7	167	0	0	0	110.3	L3 Y10 S11	L3-I7 HydrophobicContact CD2-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.96Å; L3-I7 VanDerWaalsContact O-N 3.12Å; I7-Y10 PolarHBondContact O-N 2.89Å; I7-S11 WeakPolarHBondContact O-CB 3.17Å; I7-S11 PolarHBondContact O-N 2.88Å; I7-S11 PolarHBondContact O-OG 2.75Å
8	F	48.5	Very low	46.7	Very low	136 Å²	136	119.4 Å²	119.4	60%	0.596	57%	0.573	S	S	*	*	H	α-helix	trans	-65.3	-45.5	178.9	-171.3	-101.8	0	0	0	112.5	F4 I5 I6 Y10 S11 I12	F4-F8 VanDerWaalsContact O-CB 3.24Å; F4-F8 WeakPolarHBondContact O-CB 3.31Å; F4-F8 PolarHBondContact O-N 3.42Å; I5-F8 PolarHBondContact O-N 2.63Å; I6-F8 VanDerWaalsContact C-N 3.28Å; I6-F8 PolarHBondContact O-N 2.81Å; F8-Y10 VanDerWaalsContact C-N 3.35Å; F8-Y10 PolarHBondContact O-N 2.76Å; F8-S11 PolarHBondContact O-N 3.36Å; F8-I12 HydrophobicContact CD1-CD1 3.78Å; F8-I12 HydrophobicContact CE1-CD1 3.24Å; F8-I12 HydrophobicContact CE1-CG1 4.3Å; F8-I12 HydrophobicContact CE2-CD1 4.37Å; F8-I12 HydrophobicContact CZ-CD1 3.59Å; F8-I12 HydrophobicContact CZ-CG1 4.46Å; F8-I12 WeakPolarHBondContact O-CG1 3.5Å; F8-I12 PolarHBondContact O-N 3.47Å
9	I	47.8	Very low	45.7	Very low	89 Å²	89	117.3 Å²	117.3	46%	0.456	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-41.2	175.6	-69	168	0	0	0	110.8	I5 I6 I12 N13	I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.07Å; I6-I9 PolarHBondContact O-N 2.87Å; I9-I12 PolarHBondContact O-N 3.48Å; I9-N13 WeakPolarHBondContact O-CB 3.42Å; I9-N13 PolarHBondContact O-N 3.1Å
10	Y	43.6	Very low	44.9	Very low	169 Å²	169	115.5 Å²	115.5	66%	0.663	56%	0.562	S	S	*	*	H	α-helix	trans	-64.5	-42.5	177.8	-154.1	-87.6	0	0	0	111.1	I6 I7 F8 N13 Y14	I6-Y10 WeakPolarHBondContact O-CB 3.21Å; I6-Y10 PolarHBondContact O-N 3.26Å; I7-Y10 PolarHBondContact O-N 2.89Å; F8-Y10 VanDerWaalsContact C-N 3.35Å; F8-Y10 PolarHBondContact O-N 2.76Å; Y10-N13 PolarHBondContact O-N 3.08Å; Y10-Y14 HydrophobicContact CE1-CD2 4.45Å; Y10-Y14 VanDerWaalsContact O-CB 3.28Å; Y10-Y14 WeakPolarHBondContact O-CB 3.46Å; Y10-Y14 PolarHBondContact O-N 2.96Å
11	S	40	Very low	44.2	Very low	67 Å²	67	112.3 Å²	112.3	47%	0.469	55%	0.546	S	S	.	.	H	α-helix	trans	-64	-43.2	177.1	-53.3	0	0	0	0	111.8	I7 F8 Y14 F15	I7-S11 WeakPolarHBondContact O-CB 3.17Å; I7-S11 PolarHBondContact O-N 2.88Å; I7-S11 PolarHBondContact O-OG 2.75Å; F8-S11 PolarHBondContact O-N 3.36Å; S11-Y14 PolarHBondContact O-N 2.99Å; S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 3.47Å
12	I	44	Very low	42.9	Very low	72 Å²	72	103.7 Å²	103.7	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-44.7	175.7	-75.7	-178.2	0	0	0	111.2	F8 I9 Y14 F15 I16	F8-I12 HydrophobicContact CD1-CD1 3.78Å; F8-I12 HydrophobicContact CE1-CD1 3.24Å; F8-I12 HydrophobicContact CE1-CG1 4.3Å; F8-I12 HydrophobicContact CE2-CD1 4.37Å; F8-I12 HydrophobicContact CZ-CD1 3.59Å; F8-I12 HydrophobicContact CZ-CG1 4.46Å; F8-I12 WeakPolarHBondContact O-CG1 3.5Å; F8-I12 PolarHBondContact O-N 3.47Å; I9-I12 PolarHBondContact O-N 3.48Å; I12-Y14 VanDerWaalsContact C-N 3.33Å; I12-Y14 PolarHBondContact O-N 2.7Å; I12-F15 PolarHBondContact O-N 2.99Å; I12-I16 HydrophobicContact CG2-CD1 3.54Å; I12-I16 HydrophobicContact CG2-CG1 4.24Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.26Å; I12-I16 PolarHBondContact O-N 2.8Å
13	N	34.8	Very low	41.7	Very low	86 Å²	86	101.1 Å²	101.1	46%	0.46	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-36.4	177.8	-80.5	-24.3	0	0	0	112.1	I9 Y10 I16 L17	I9-N13 WeakPolarHBondContact O-CB 3.42Å; I9-N13 PolarHBondContact O-N 3.1Å; Y10-N13 PolarHBondContact O-N 3.08Å; N13-I16 PolarHBondContact O-N 3.4Å; N13-L17 WeakPolarHBondContact O-CB 3.42Å; N13-L17 PolarHBondContact O-N 3.18Å
14	Y	36	Very low	40.7	Very low	139 Å²	139	96.3 Å²	96.3	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-66.6	-38.6	174	-154.4	-91.4	0	0	0	111.6	Y10 S11 I12 L17 Y18	Y10-Y14 HydrophobicContact CE1-CD2 4.45Å; Y10-Y14 VanDerWaalsContact O-CB 3.28Å; Y10-Y14 WeakPolarHBondContact O-CB 3.46Å; Y10-Y14 PolarHBondContact O-N 2.96Å; S11-Y14 PolarHBondContact O-N 2.99Å; I12-Y14 VanDerWaalsContact C-N 3.33Å; I12-Y14 PolarHBondContact O-N 2.7Å; Y14-L17 PolarHBondContact O-N 3.32Å; Y14-Y18 HydrophobicContact CD1-CD2 4.18Å; Y14-Y18 HydrophobicContact CD1-CE2 4.41Å; Y14-Y18 HydrophobicContact CE1-CD2 4.02Å; Y14-Y18 AromaticContact CE1-CE2 3.79Å; Y14-Y18 HydrophobicContact CE1-CE2 3.79Å; Y14-Y18 PolarHBondContact O-N 3.16Å; Y14-Y18 VanDerWaalsContact O-N 3.13Å
15	F	32.4	Very low	39.5	Very low	152 Å²	152	90.4 Å²	90.4	67%	0.667	44%	0.438	S	S	*	.	H	α-helix	trans	-67.2	-41.8	173.4	-153.2	-90.9	0	0	0	111.6	S11 I12 L17 Y18 T19	S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 3.47Å; I12-F15 PolarHBondContact O-N 2.99Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.31Å; F15-Y18 CarbonylContact O-C 3.57Å; F15-Y18 WeakPolarHBondContact O-CB 3.45Å; F15-Y18 PolarHBondContact O-N 2.96Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; F15-T19 HydrophobicContact CD1-CG2 4.03Å; F15-T19 HydrophobicContact CE1-CG2 4.17Å; F15-T19 VanDerWaalsContact O-CG2 3.31Å; F15-T19 WeakPolarHBondContact O-CG2 3.5Å; F15-T19 PolarHBondContact O-N 3.44Å
16	I	31.5	Very low	38.5	Very low	89 Å²	89	88.2 Å²	88.2	46%	0.456	43%	0.427	S	S	.	.	H	α-helix	trans	-64.4	-38	176.5	-70.2	168.1	0	0	0	111.1	I12 N13 Y18 T19	I12-I16 HydrophobicContact CG2-CD1 3.54Å; I12-I16 HydrophobicContact CG2-CG1 4.24Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.26Å; I12-I16 PolarHBondContact O-N 2.8Å; N13-I16 PolarHBondContact O-N 3.4Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; I16-T19 VanDerWaalsContact CA-OG1 3.27Å; I16-T19 WeakPolarHBondContact CA-OG1 3.4Å; I16-T19 PolarHBondContact O-N 3.14Å; I16-T19 PolarHBondContact O-OG1 2.93Å
17	L	27.3	Very low	37.3	Very low	125 Å²	125	91.8 Å²	91.8	65%	0.654	45%	0.447	S	S	*	.	H	α-helix	trans	-62.2	-39.8	172.3	-87.6	154.9	0	0	0	112.1	N13 Y14 F15 T19	N13-L17 WeakPolarHBondContact O-CB 3.42Å; N13-L17 PolarHBondContact O-N 3.18Å; Y14-L17 PolarHBondContact O-N 3.32Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.31Å; L17-T19 VanDerWaalsContact C-N 3.34Å
18	Y	24.8	Very low	36.5	Very low	124 Å²	124	90.9 Å²	90.9	49%	0.486	44%	0.443	S	S	.	.	H	α-helix	trans	-69.8	-25.1	173.4	-105.9	-86.1	0	0	0	113.8	Y14 F15 I16 N20 E21	Y14-Y18 HydrophobicContact CD1-CD2 4.18Å; Y14-Y18 HydrophobicContact CD1-CE2 4.41Å; Y14-Y18 HydrophobicContact CE1-CD2 4.02Å; Y14-Y18 AromaticContact CE1-CE2 3.79Å; Y14-Y18 HydrophobicContact CE1-CE2 3.79Å; Y14-Y18 PolarHBondContact O-N 3.16Å; Y14-Y18 VanDerWaalsContact O-N 3.13Å; F15-Y18 CarbonylContact O-C 3.57Å; F15-Y18 WeakPolarHBondContact O-CB 3.45Å; F15-Y18 PolarHBondContact O-N 2.96Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-N20 VanDerWaalsContact C-N 3.26Å; Y18-N20 PolarHBondContact O-N 3.03Å; Y18-E21 WeakPolarHBondContact O-CG 3.29Å; Y18-E21 PolarHBondContact O-N 2.96Å
19	T	28.1	Very low	35.9	Very low	79 Å²	79	87 Å²	87	49%	0.485	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.2	179.8	56.8	0	0	0	0	114.9	F15 I16 L17 E21	F15-T19 HydrophobicContact CD1-CG2 4.03Å; F15-T19 HydrophobicContact CE1-CG2 4.17Å; F15-T19 VanDerWaalsContact O-CG2 3.31Å; F15-T19 WeakPolarHBondContact O-CG2 3.5Å; F15-T19 PolarHBondContact O-N 3.44Å; I16-T19 VanDerWaalsContact CA-OG1 3.27Å; I16-T19 WeakPolarHBondContact CA-OG1 3.4Å; I16-T19 PolarHBondContact O-N 3.14Å; I16-T19 PolarHBondContact O-OG1 2.93Å; L17-T19 VanDerWaalsContact C-N 3.34Å; T19-E21 PolarHBondContact O-N 3.2Å
20	N	29.5	Very low	35.6	Very low	81 Å²	81	87.2 Å²	87.2	43%	0.433	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.2	169.9	-80.4	-39	0	0	0	113.3	Y18	Y18-N20 VanDerWaalsContact C-N 3.26Å; Y18-N20 PolarHBondContact O-N 3.03Å
21	E	30.1	Very low	35.6	Very low	49 Å²	49	81.7 Å²	81.7	23%	0.229	42%	0.424	C	S	.	.	S	Bend	trans	-85.4	141.3	-177.7	-63.9	-174.4	147.5	0	0	112.1	Y18 T19 F23 N33	Y18-E21 WeakPolarHBondContact O-CG 3.29Å; Y18-E21 PolarHBondContact O-N 2.96Å; T19-E21 PolarHBondContact O-N 3.2Å; E21-F23 HydrophobicContact CB-CE1 4.36Å; E21-F23 HydrophobicContact CB-CE2 4.11Å; E21-F23 HydrophobicContact CB-CZ 3.85Å; E21-F23 WeakPolarHBondContact O-CD2 3.49Å; E21-F23 WeakPolarHBondContact O-CE2 3.31Å; E21-N33 HydrophobicContact CB-CB 3.97Å; E21-N33 VanDerWaalsContact CD-ND2 3.28Å; E21-N33 HydrophobicContact CG-CB 4.44Å; E21-N33 PolarHBondContact OE1-ND2 3.48Å; E21-N33 WeakPolarHBondContact OE2-CB 3.1Å; E21-N33 VanDerWaalsContact OE2-CG 3.29Å; E21-N33 PolarHBondContact OE2-ND2 2.78Å
22	S	34.1	Very low	35.7	Very low	10 Å²	10	80.2 Å²	80.2	7%	0.07	41%	0.408	C	S	.	.			trans	-82.9	125.1	173.4	-54.6	0	0	0	0	108.6	N33 F34 I187 R188	S22-N33 CarbonylContact O-C 3.6Å; S22-F34 PolarHBondContact O-N 2.77Å; S22-I187 VanDerWaalsContact OG-CA 3.24Å; S22-I187 WeakPolarHBondContact OG-CA 3.46Å; S22-I187 WeakPolarHBondContact OG-CB 3.46Å; S22-I187 WeakPolarHBondContact OG-CG2 2.87Å; S22-R188 PolarHBondContact OG-O 2.81Å
23	F	36.7	Very low	35.7	Very low	80 Å²	80	77.4 Å²	77.4	35%	0.351	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.4	-175.3	-61.2	-85.4	0	0	0	112.5	E21 L31 R32 N33	E21-F23 HydrophobicContact CB-CE1 4.36Å; E21-F23 HydrophobicContact CB-CE2 4.11Å; E21-F23 HydrophobicContact CB-CZ 3.85Å; E21-F23 WeakPolarHBondContact O-CD2 3.49Å; E21-F23 WeakPolarHBondContact O-CE2 3.31Å; F23-L31 HydrophobicContact CB-CD2 3.88Å; F23-L31 HydrophobicContact CB-CG 4.05Å; F23-L31 HydrophobicContact CD1-CD2 3.53Å; F23-L31 HydrophobicContact CD1-CG 4.13Å; F23-L31 HydrophobicContact CD2-CD2 4.39Å; F23-L31 HydrophobicContact CE1-CD2 4.17Å; F23-L31 HydrophobicContact CG-CD2 3.67Å; F23-L31 HydrophobicContact CG-CG 4.3Å; F23-R32 CarbonylContact C-O 3.18Å; F23-R32 VanDerWaalsContact CA-O 3.27Å; F23-R32 WeakPolarHBondContact CA-O 3.42Å; F23-N33 HydrophobicContact CD1-CB 3.99Å; F23-N33 HydrophobicContact CE1-CB 3.79Å
24	I	41.7	Very low	36	Very low	26 Å²	26	75.8 Å²	75.8	13%	0.133	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.9	173.6	51.1	117.9	0	0	0	110.2	I26 R32 A37 L53	I24-I26 HydrophobicContact CD1-CD1 4.43Å; I24-I26 HydrophobicContact CD1-CG1 4.13Å; I24-R32 HydrophobicContact CD1-CB 4.42Å; I24-R32 PolarHBondContact N-O 3.48Å; I24-R32 PolarHBondContact O-N 2.89Å; I24-A37 HydrophobicContact CD1-CB 3.1Å; I24-A37 HydrophobicContact CG1-CB 3.38Å; I24-L53 HydrophobicContact CB-CD1 4.39Å; I24-L53 HydrophobicContact CB-CD2 4.28Å; I24-L53 HydrophobicContact CD1-CD1 3.67Å; I24-L53 HydrophobicContact CD1-CD2 3.96Å; I24-L53 HydrophobicContact CD1-CG 4.38Å; I24-L53 HydrophobicContact CG1-CD1 4.32Å; I24-L53 HydrophobicContact CG1-CD2 3.91Å; I24-L53 HydrophobicContact CG2-CD1 4.32Å; I24-L53 HydrophobicContact CG2-CD2 3.72Å; I24-L53 HydrophobicContact CG2-CG 4.02Å
25	I	36.2	Very low	36.1	Very low	43 Å²	43	71.1 Å²	71.1	22%	0.221	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.3	174.1	-68.6	161.2	0	0	0	106.6	L31 L168 F169	I25-L31 HydrophobicContact CD1-CD1 3.43Å; I25-L31 VanDerWaalsContact CD1-CD1 3.43Å; I25-L31 HydrophobicContact CG1-CD1 3.42Å; I25-L31 VanDerWaalsContact CG1-CD1 3.42Å; I25-L31 HydrophobicContact CG1-CG 4.36Å; I25-L168 HydrophobicContact CB-CD2 3.66Å; I25-L168 HydrophobicContact CD1-CB 3.78Å; I25-L168 HydrophobicContact CD1-CD2 3.43Å; I25-L168 VanDerWaalsContact CD1-CD2 3.43Å; I25-L168 HydrophobicContact CD1-CG 4.2Å; I25-L168 HydrophobicContact CG1-CD2 4.15Å; I25-L168 HydrophobicContact CG2-CD2 3.48Å; I25-L168 VanDerWaalsContact CG2-CD2 3.48Å; I25-F169 HydrophobicContact CD1-CD2 4.28Å; I25-F169 HydrophobicContact CD1-CE2 3.99Å
26	I	42	Very low	36.6	Very low	39 Å²	39	68.3 Å²	68.3	20%	0.2	36%	0.359	C	S	.	.			trans	-104.6	-177.6	177.4	-24.8	178.6	0	0	0	107.9	I24 D28 G29 V40 L44	I24-I26 HydrophobicContact CD1-CD1 4.43Å; I24-I26 HydrophobicContact CD1-CG1 4.13Å; I26-D28 PolarHBondContact O-N 2.65Å; I26-G29 PolarHBondContact O-N 3.44Å; I26-V40 HydrophobicContact CD1-CB 3.92Å; I26-V40 HydrophobicContact CD1-CG1 3.24Å; I26-L44 HydrophobicContact CD1-CD1 4.16Å; I26-L44 HydrophobicContact CG2-CD1 4.12Å
27	D	35.1	Very low	37.2	Very low	174 Å²	174	64.1 Å²	64.1	93%	0.93	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.7	-174.9	-73.1	-21.5	0	0	0	114.5
28	D	41.4	Very low	37.8	Very low	79 Å²	79	59.4 Å²	59.4	42%	0.422	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.6	176.1	65.6	4	0	0	0	115.1	I26 I30 R32	I26-D28 PolarHBondContact O-N 2.65Å; D28-I30 PolarHBondContact O-N 3.26Å; D28-I30 PolarHBondContact OD1-N 3.4Å; D28-I30 VanDerWaalsContact OD1-N 3.07Å; D28-R32 IonicContact OD1-CZ 3.87Å; D28-R32 IonicContact OD1-NH1 2.87Å; D28-R32 PolarHBondContact OD1-NH1 2.82Å; D28-R32 IonicContact OD2-CZ 3.15Å; D28-R32 IonicContact OD2-NH1 2.81Å; D28-R32 PolarHBondContact OD2-NH1 2.85Å; D28-R32 IonicContact OD2-NH2 2.63Å; D28-R32 PolarHBondContact OD2-NH2 2.69Å
29	G	36.9	Very low	38.6	Very low	54 Å²	54	57.3 Å²	57.3	56%	0.557	31%	0.31	S	S	*	.			trans	74.4	4.2	178	0	0	0	0	0	114.9	I26	I26-G29 PolarHBondContact O-N 3.44Å
30	I	41.7	Very low	39.1	Very low	94 Å²	94	54.7 Å²	54.7	48%	0.482	29%	0.294	S	S	.	.			trans	-87.4	129.8	-177.8	-60.1	176.8	0	0	0	110.1	D28 R32	D28-I30 PolarHBondContact O-N 3.26Å; D28-I30 PolarHBondContact OD1-N 3.4Å; D28-I30 VanDerWaalsContact OD1-N 3.07Å; I30-R32 HydrophobicContact CG2-CG 4.44Å; I30-R32 PolarHBondContact O-N 3.24Å
31	L	43.4	Very low	39.5	Very low	54 Å²	54	51 Å²	51	28%	0.283	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.4	173.1	-141.1	84.9	0	0	0	111	F23 I25 F169	F23-L31 HydrophobicContact CB-CD2 3.88Å; F23-L31 HydrophobicContact CB-CG 4.05Å; F23-L31 HydrophobicContact CD1-CD2 3.53Å; F23-L31 HydrophobicContact CD1-CG 4.13Å; F23-L31 HydrophobicContact CD2-CD2 4.39Å; F23-L31 HydrophobicContact CE1-CD2 4.17Å; F23-L31 HydrophobicContact CG-CD2 3.67Å; F23-L31 HydrophobicContact CG-CG 4.3Å; I25-L31 HydrophobicContact CD1-CD1 3.43Å; I25-L31 VanDerWaalsContact CD1-CD1 3.43Å; I25-L31 HydrophobicContact CG1-CD1 3.42Å; I25-L31 VanDerWaalsContact CG1-CD1 3.42Å; I25-L31 HydrophobicContact CG1-CG 4.36Å; L31-F169 HydrophobicContact CD1-CD1 4.43Å; L31-F169 HydrophobicContact CD1-CE1 3.45Å; L31-F169 VanDerWaalsContact CD1-CE1 3.45Å; L31-F169 HydrophobicContact CD1-CE2 3.57Å; L31-F169 HydrophobicContact CD1-CZ 2.97Å; L31-F169 HydrophobicContact CD2-CE1 3.91Å; L31-F169 HydrophobicContact CD2-CZ 3.7Å; L31-F169 HydrophobicContact CG-CE1 4.31Å; L31-F169 HydrophobicContact CG-CZ 3.92Å
32	R	41.8	Very low	40	Very low	35 Å²	35	52.7 Å²	52.7	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.2	175.3	-67.6	-177.7	-179.3	100.1	-11.6	110.1	F23 I24 D28 I30 Q36 V40	F23-R32 CarbonylContact C-O 3.18Å; F23-R32 VanDerWaalsContact CA-O 3.27Å; F23-R32 WeakPolarHBondContact CA-O 3.42Å; I24-R32 HydrophobicContact CD1-CB 4.42Å; I24-R32 PolarHBondContact N-O 3.48Å; I24-R32 PolarHBondContact O-N 2.89Å; D28-R32 IonicContact OD1-CZ 3.87Å; D28-R32 IonicContact OD1-NH1 2.87Å; D28-R32 PolarHBondContact OD1-NH1 2.82Å; D28-R32 IonicContact OD2-CZ 3.15Å; D28-R32 IonicContact OD2-NH1 2.81Å; D28-R32 PolarHBondContact OD2-NH1 2.85Å; D28-R32 IonicContact OD2-NH2 2.63Å; D28-R32 PolarHBondContact OD2-NH2 2.69Å; I30-R32 HydrophobicContact CG2-CG 4.44Å; I30-R32 PolarHBondContact O-N 3.24Å; R32-Q36 HydrophobicContact CB-CB 3.83Å; R32-Q36 HydrophobicContact CG-CB 4.24Å; R32-V40 VanDerWaalsContact NE-CG2 3.35Å
33	N	43.4	Very low	40.2	Very low	13 Å²	13	58.4 Å²	58.4	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	166.9	169.3	72.9	21.5	0	0	0	110.4	E21 S22 F23 C35 Q36 A37	E21-N33 HydrophobicContact CB-CB 3.97Å; E21-N33 VanDerWaalsContact CD-ND2 3.28Å; E21-N33 HydrophobicContact CG-CB 4.44Å; E21-N33 PolarHBondContact OE1-ND2 3.48Å; E21-N33 WeakPolarHBondContact OE2-CB 3.1Å; E21-N33 VanDerWaalsContact OE2-CG 3.29Å; E21-N33 PolarHBondContact OE2-ND2 2.78Å; S22-N33 CarbonylContact O-C 3.6Å; F23-N33 HydrophobicContact CD1-CB 3.99Å; F23-N33 HydrophobicContact CE1-CB 3.79Å; N33-C35 VanDerWaalsContact C-N 3.28Å; N33-C35 PolarHBondContact O-N 3.09Å; N33-C35 PolarHBondContact OD1-N 3.43Å; N33-Q36 VanDerWaalsContact N-OE1 3.08Å; N33-Q36 CarbonylContact O-C 3.4Å; N33-Q36 WeakPolarHBondContact O-CB 3.34Å; N33-Q36 PolarHBondContact O-N 3.18Å; N33-Q36 VanDerWaalsContact O-N 3.09Å; N33-Q36 VanDerWaalsContact OD1-CB 3.3Å; N33-Q36 WeakPolarHBondContact OD1-CB 3.46Å; N33-Q36 WeakPolarHBondContact OD1-CG 3.22Å; N33-Q36 PolarHBondContact OD1-N 3.29Å; N33-A37 WeakPolarHBondContact O-CB 3.3Å; N33-A37 PolarHBondContact O-N 3.24Å
34	F	42.6	Very low	40	Very low	53 Å²	53	56.2 Å²	56.2	23%	0.232	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-34.7	-175.3	-163.9	-93	0	0	0	114.1	S22 A37 N38 L53 V77	S22-F34 PolarHBondContact O-N 2.77Å; F34-A37 VanDerWaalsContact O-CB 3.27Å; F34-A37 WeakPolarHBondContact O-CB 3.49Å; F34-N38 PolarHBondContact O-N 3.24Å; F34-L53 HydrophobicContact CD2-CD2 4.41Å; F34-L53 HydrophobicContact CE2-CD2 4.15Å; F34-V77 HydrophobicContact CE2-CB 4.3Å; F34-V77 HydrophobicContact CE2-CG1 3.58Å; F34-V77 HydrophobicContact CE2-CG2 4.1Å; F34-V77 HydrophobicContact CZ-CB 4.48Å; F34-V77 HydrophobicContact CZ-CG1 3.4Å; F34-V77 HydrophobicContact CZ-CG2 4.4Å
35	C	38.3	Very low	39.6	Very low	41 Å²	41	57.2 Å²	57.2	28%	0.277	31%	0.308	S	S	.	.	H	α-helix	trans	-74.4	-36.9	175.8	-59.8	0	0	0	0	111.7	N33 A37 N38 D39 C195	N33-C35 VanDerWaalsContact C-N 3.28Å; N33-C35 PolarHBondContact O-N 3.09Å; N33-C35 PolarHBondContact OD1-N 3.43Å; C35-A37 VanDerWaalsContact C-N 3.29Å; C35-A37 PolarHBondContact O-N 2.72Å; C35-N38 WeakPolarHBondContact O-CB 3.44Å; C35-N38 PolarHBondContact O-N 2.06Å; C35-N38 VanDerWaalsContact O-N 3.09Å; C35-D39 PolarHBondContact O-N 2.66Å; C35-C195 HydrophobicContact CB-CB 4.29Å; C35-C195 WeakPolarHBondContact CB-SG 3.27Å; C35-C195 WeakPolarHBondContact SG-CB 3.35Å; C35-C195 CovalentContact SG-SG 2.06Å; C35-C195 PolarHBondContact SG-SG 3.24Å
36	Q	41.2	Very low	39.4	Very low	93 Å²	93	60.8 Å²	60.8	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-32.7	172.5	-73.7	172.1	-17.8	0	0	111.8	R32 N33 N38 D39 V40	R32-Q36 HydrophobicContact CB-CB 3.83Å; R32-Q36 HydrophobicContact CG-CB 4.24Å; N33-Q36 VanDerWaalsContact N-OE1 3.08Å; N33-Q36 CarbonylContact O-C 3.4Å; N33-Q36 WeakPolarHBondContact O-CB 3.34Å; N33-Q36 PolarHBondContact O-N 3.18Å; N33-Q36 VanDerWaalsContact O-N 3.09Å; N33-Q36 VanDerWaalsContact OD1-CB 3.3Å; N33-Q36 WeakPolarHBondContact OD1-CB 3.46Å; N33-Q36 WeakPolarHBondContact OD1-CG 3.22Å; N33-Q36 PolarHBondContact OD1-N 3.29Å; Q36-N38 PolarHBondContact O-N 3.12Å; Q36-D39 PolarHBondContact O-N 3.09Å; Q36-V40 WeakPolarHBondContact O-CG2 3.29Å; Q36-V40 PolarHBondContact O-N 3.45Å
37	A	44.3	Very low	38.9	Very low	1 Å²	1	64.8 Å²	64.8	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-39.4	169.5	0	0	0	0	0	111.3	I24 N33 F34 C35 V40 C41 L53	I24-A37 HydrophobicContact CD1-CB 3.1Å; I24-A37 HydrophobicContact CG1-CB 3.38Å; N33-A37 WeakPolarHBondContact O-CB 3.3Å; N33-A37 PolarHBondContact O-N 3.24Å; F34-A37 VanDerWaalsContact O-CB 3.27Å; F34-A37 WeakPolarHBondContact O-CB 3.49Å; C35-A37 VanDerWaalsContact C-N 3.29Å; C35-A37 PolarHBondContact O-N 2.72Å; A37-V40 PolarHBondContact O-N 3.36Å; A37-C41 WeakPolarHBondContact O-CA 3.29Å; A37-C41 WeakPolarHBondContact O-CB 3.21Å; A37-C41 PolarHBondContact O-N 3.17Å; A37-C41 PolarHBondContact O-SG 2.98Å; A37-L53 HydrophobicContact CB-CD2 3.82Å
38	N	40.5	Very low	38.5	Very low	25 Å²	25	61.9 Å²	61.9	13%	0.134	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-44.6	179.1	-146.8	28.2	0	0	0	111.1	F34 C35 Q36 C41 N42	F34-N38 PolarHBondContact O-N 3.24Å; C35-N38 WeakPolarHBondContact O-CB 3.44Å; C35-N38 PolarHBondContact O-N 2.06Å; C35-N38 VanDerWaalsContact O-N 3.09Å; Q36-N38 PolarHBondContact O-N 3.12Å; N38-C41 PolarHBondContact O-N 2.84Å; N38-N42 WeakPolarHBondContact O-CB 3.29Å; N38-N42 VanDerWaalsContact O-CG 3.27Å; N38-N42 PolarHBondContact O-N 2.81Å; N38-N42 PolarHBondContact O-ND2 3.16Å
39	D	40.6	Very low	38.1	Very low	80 Å²	80	64.9 Å²	64.9	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.1	-77.1	-22.1	0	0	0	111.9	C35 Q36 N42 Q43	C35-D39 PolarHBondContact O-N 2.66Å; Q36-D39 PolarHBondContact O-N 3.09Å; D39-N42 PolarHBondContact O-N 3.4Å; D39-Q43 WeakPolarHBondContact O-CG 3.47Å; D39-Q43 PolarHBondContact O-N 2.98Å
40	V	39.3	Very low	38.1	Very low	24 Å²	24	66.6 Å²	66.6	15%	0.145	34%	0.337	C	S	.	.	H	α-helix	trans	-73	-31.8	177	-179.9	0	0	0	0	112.1	I26 R32 Q36 A37 Q43 L44	I26-V40 HydrophobicContact CD1-CB 3.92Å; I26-V40 HydrophobicContact CD1-CG1 3.24Å; R32-V40 VanDerWaalsContact NE-CG2 3.35Å; Q36-V40 WeakPolarHBondContact O-CG2 3.29Å; Q36-V40 PolarHBondContact O-N 3.45Å; A37-V40 PolarHBondContact O-N 3.36Å; V40-Q43 PolarHBondContact O-N 3.04Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.22Å; V40-L44 WeakPolarHBondContact O-CB 3.36Å; V40-L44 WeakPolarHBondContact O-CG 3.42Å; V40-L44 PolarHBondContact O-N 2.84Å
41	C	38.9	Very low	37.8	Very low	5 Å²	5	65.3 Å²	65.3	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-35.3	170.2	-81.6	0	0	0	0	111.8	A37 N38 L44 N45 L79	A37-C41 WeakPolarHBondContact O-CA 3.29Å; A37-C41 WeakPolarHBondContact O-CB 3.21Å; A37-C41 PolarHBondContact O-N 3.17Å; A37-C41 PolarHBondContact O-SG 2.98Å; N38-C41 PolarHBondContact O-N 2.84Å; C41-L44 PolarHBondContact O-N 2.99Å; C41-N45 VanDerWaalsContact O-CB 3.3Å; C41-N45 WeakPolarHBondContact O-CB 3.46Å; C41-N45 PolarHBondContact O-N 2.89Å; C41-L79 HydrophobicContact CB-CD2 3.95Å
42	N	40.3	Very low	37.7	Very low	84 Å²	84	63.9 Å²	63.9	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-41	173.6	-78.3	-24	0	0	0	111.5	N38 D39 N45 T46	N38-N42 WeakPolarHBondContact O-CB 3.29Å; N38-N42 VanDerWaalsContact O-CG 3.27Å; N38-N42 PolarHBondContact O-N 2.81Å; N38-N42 PolarHBondContact O-ND2 3.16Å; D39-N42 PolarHBondContact O-N 3.4Å; N42-N45 PolarHBondContact O-N 3.47Å; N42-T46 PolarHBondContact O-N 3.41Å; N42-T46 PolarHBondContact O-OG1 2.92Å
43	Q	37	Very low	37.8	Very low	129 Å²	129	63.5 Å²	63.5	60%	0.603	32%	0.318	S	S	*	.	H	α-helix	trans	-69.1	-32.4	172.2	-72.8	-178.6	-11.1	0	0	112.9	D39 V40 T46 I47	D39-Q43 WeakPolarHBondContact O-CG 3.47Å; D39-Q43 PolarHBondContact O-N 2.98Å; V40-Q43 PolarHBondContact O-N 3.04Å; Q43-T46 VanDerWaalsContact C-OG1 3.31Å; Q43-T46 WeakPolarHBondContact CA-OG1 3.41Å; Q43-T46 PolarHBondContact O-OG1 3.5Å; Q43-I47 WeakPolarHBondContact O-CG1 3.49Å
44	L	32.8	Very low	37.8	Very low	34 Å²	34	63.7 Å²	63.7	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-75.5	-34.8	174.8	-80.8	169.9	0	0	0	111.4	I26 V40 C41 T46 I47 H48 Y51	I26-L44 HydrophobicContact CD1-CD1 4.16Å; I26-L44 HydrophobicContact CG2-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.22Å; V40-L44 WeakPolarHBondContact O-CB 3.36Å; V40-L44 WeakPolarHBondContact O-CG 3.42Å; V40-L44 PolarHBondContact O-N 2.84Å; C41-L44 PolarHBondContact O-N 2.99Å; L44-T46 PolarHBondContact O-N 3.4Å; L44-I47 PolarHBondContact O-N 3.18Å; L44-H48 PolarHBondContact O-N 2.86Å; L44-H48 VanDerWaalsContact O-O 3.06Å; L44-Y51 HydrophobicContact CB-CD2 3.74Å; L44-Y51 HydrophobicContact CB-CE2 3.46Å; L44-Y51 VanDerWaalsContact CB-CE2 3.46Å; L44-Y51 HydrophobicContact CD2-CE2 4.2Å; L44-Y51 HydrophobicContact CG-CE2 4.28Å
45	N	33.3	Very low	37.8	Very low	47 Å²	47	61.6 Å²	61.6	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-28.2	173.7	-118	-3.6	0	0	0	112.5	C41 N42 I47 E49	C41-N45 VanDerWaalsContact O-CB 3.3Å; C41-N45 WeakPolarHBondContact O-CB 3.46Å; C41-N45 PolarHBondContact O-N 2.89Å; N42-N45 PolarHBondContact O-N 3.47Å; N45-I47 VanDerWaalsContact C-N 3.34Å; N45-E49 PolarHBondContact OD1-O 3.02Å
46	T	33.4	Very low	38	Very low	119 Å²	119	61.4 Å²	61.4	73%	0.73	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.3	176	25.4	0	0	0	0	113	N42 Q43 L44	N42-T46 PolarHBondContact O-N 3.41Å; N42-T46 PolarHBondContact O-OG1 2.92Å; Q43-T46 VanDerWaalsContact C-OG1 3.31Å; Q43-T46 WeakPolarHBondContact CA-OG1 3.41Å; Q43-T46 PolarHBondContact O-OG1 3.5Å; L44-T46 PolarHBondContact O-N 3.4Å
47	I	30.1	Very low	37.8	Very low	123 Å²	123	59.2 Å²	59.2	63%	0.631	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-36.7	-176.7	-57.2	172.3	0	0	0	111.5	Q43 L44 N45	Q43-I47 WeakPolarHBondContact O-CG1 3.49Å; L44-I47 PolarHBondContact O-N 3.18Å; N45-I47 VanDerWaalsContact C-N 3.34Å
48	H	28.2	Very low	37.6	Very low	112 Å²	112	61.4 Å²	61.4	52%	0.519	31%	0.309	S	S	.	.	S	Bend	trans	-138.7	120.4	176.2	-63.1	-78.4	0	0	0	109	L44 K50 Y51	L44-H48 PolarHBondContact O-N 2.86Å; L44-H48 VanDerWaalsContact O-O 3.06Å; H48-K50 PolarHBondContact O-N 2.57Å; H48-Y51 HydrophobicContact CB-CE2 3.56Å; H48-Y51 VanDerWaalsContact CB-OH 3.29Å; H48-Y51 WeakPolarHBondContact CB-OH 3.38Å; H48-Y51 PolarHBondContact CD2-OH 3.47Å; H48-Y51 VanDerWaalsContact O-CE2 3.31Å; H48-Y51 WeakPolarHBondContact O-CE2 3.39Å
49	E	31.9	Very low	37.9	Very low	143 Å²	143	62.7 Å²	62.7	67%	0.668	32%	0.318	S	S	*	.	S	Bend	trans	-62.5	-8.9	-160.8	-69	-174.4	150.6	0	0	116.7	N45 P81	N45-E49 PolarHBondContact OD1-O 3.02Å; E49-P81 VanDerWaalsContact O-CG 3.26Å; E49-P81 WeakPolarHBondContact O-CG 2.96Å
50	K	37.9	Very low	37.7	Very low	90 Å²	90	65.2 Å²	65.2	39%	0.391	33%	0.328	S	S	.	.			trans	-153.5	101.3	-168.1	-60.9	-178.2	-174.6	164.8	0	113.4	H48 P81	H48-K50 PolarHBondContact O-N 2.57Å; K50-P81 HydrophobicContact CG-CG 4Å
51	Y	35.3	Very low	37.6	Very low	66 Å²	66	71 Å²	71	26%	0.259	36%	0.357	S	S	.	.			trans	-115.6	139.4	170.6	-69.8	-83	0	0	0	113.2	L44 H48 L79	L44-Y51 HydrophobicContact CB-CD2 3.74Å; L44-Y51 HydrophobicContact CB-CE2 3.46Å; L44-Y51 VanDerWaalsContact CB-CE2 3.46Å; L44-Y51 HydrophobicContact CD2-CE2 4.2Å; L44-Y51 HydrophobicContact CG-CE2 4.28Å; H48-Y51 HydrophobicContact CB-CE2 3.56Å; H48-Y51 VanDerWaalsContact CB-OH 3.29Å; H48-Y51 WeakPolarHBondContact CB-OH 3.38Å; H48-Y51 PolarHBondContact CD2-OH 3.47Å; H48-Y51 VanDerWaalsContact O-CE2 3.31Å; H48-Y51 WeakPolarHBondContact O-CE2 3.39Å; Y51-L79 CarbonylContact O-C 3.41Å
52	F	39.8	Very low	37.9	Very low	25 Å²	25	72.2 Å²	72.2	11%	0.11	36%	0.363	C	S	.	.			trans	-109.1	130	168.1	-95.9	-103.3	0	0	0	109.7	Y78 L80 M91 L149 F160	F52-Y78 HydrophobicContact CE1-CG 4.4Å; F52-L80 HydrophobicContact CE2-CD2 3.51Å; F52-L80 HydrophobicContact CE2-CG 4.24Å; F52-L80 HydrophobicContact CZ-CD2 3.55Å; F52-L80 HydrophobicContact CZ-CG 3.98Å; F52-M91 HydrophobicContact CE1-CE 3.33Å; F52-M91 HydrophobicContact CE1-CG 4.5Å; F52-M91 HydrophobicContact CE1-SD 3.66Å; F52-M91 HydrophobicContact CZ-CE 3.41Å; F52-M91 VanDerWaalsContact CZ-CE 3.41Å; F52-M91 HydrophobicContact CZ-SD 4.15Å; F52-L149 HydrophobicContact CD2-CD1 4.43Å; F52-L149 HydrophobicContact CE2-CD1 3.32Å; F52-L149 HydrophobicContact CZ-CD1 3.42Å; F52-L149 VanDerWaalsContact CZ-CD1 3.42Å; F52-F160 HydrophobicContact CB-CE1 4.33Å; F52-F160 HydrophobicContact CB-CE2 3.93Å; F52-F160 HydrophobicContact CB-CZ 3.66Å
53	L	44	Very low	37.9	Very low	26 Å²	26	74.2 Å²	74.2	14%	0.136	38%	0.38	C	S	.	.			trans	-113	104	174.1	-155.1	90.1	0	0	0	109.6	I24 F34 A37 V77 L79	I24-L53 HydrophobicContact CB-CD1 4.39Å; I24-L53 HydrophobicContact CB-CD2 4.28Å; I24-L53 HydrophobicContact CD1-CD1 3.67Å; I24-L53 HydrophobicContact CD1-CD2 3.96Å; I24-L53 HydrophobicContact CD1-CG 4.38Å; I24-L53 HydrophobicContact CG1-CD1 4.32Å; I24-L53 HydrophobicContact CG1-CD2 3.91Å; I24-L53 HydrophobicContact CG2-CD1 4.32Å; I24-L53 HydrophobicContact CG2-CD2 3.72Å; I24-L53 HydrophobicContact CG2-CG 4.02Å; F34-L53 HydrophobicContact CD2-CD2 4.41Å; F34-L53 HydrophobicContact CE2-CD2 4.15Å; A37-L53 HydrophobicContact CB-CD2 3.82Å; L53-V77 CarbonylContact C-O 3.55Å; L53-V77 CarbonylContact O-C 3.58Å; L53-V77 VanDerWaalsContact O-CB 3.25Å; L53-V77 WeakPolarHBondContact O-CB 3.25Å; L53-V77 WeakPolarHBondContact O-CG1 3.43Å; L53-L79 HydrophobicContact CB-CD1 4.3Å
54	M	43	Very low	38.5	Very low	17 Å²	17	72.2 Å²	72.2	8%	0.084	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-94.2	122.6	-179.8	-69.9	-167.2	176	0	0	110.9	I76 L93 I145 C147 Y162	M54-I76 HydrophobicContact CE-CD1 4.35Å; M54-I76 HydrophobicContact CE-CG2 4.03Å; M54-I76 HydrophobicContact CG-CG2 3.89Å; M54-I76 HydrophobicContact SD-CD1 4.36Å; M54-I76 HydrophobicContact SD-CG1 4.49Å; M54-I76 HydrophobicContact SD-CG2 4.23Å; M54-L93 HydrophobicContact CE-CD2 3.51Å; M54-I145 HydrophobicContact CE-CG2 3.94Å; M54-I145 HydrophobicContact SD-CB 4.21Å; M54-I145 HydrophobicContact SD-CD1 4.44Å; M54-I145 HydrophobicContact SD-CG2 4.14Å; M54-C147 HydrophobicContact CE-CB 3.65Å; M54-Y162 HydrophobicContact CB-CE2 4.22Å; M54-Y162 WeakPolarHBondContact CB-OH 3.07Å; M54-Y162 PolarHBondContact O-OH 3.45Å
55	G	42.6	Very low	39.1	Very low	10 Å²	10	76.6 Å²	76.6	10%	0.103	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-103.1	129.7	170.3	0	0	0	0	0	111.3	I187	G55-I187 VanDerWaalsContact C-CD1 3.48Å
56	L	43.8	Very low	39.8	Very low	36 Å²	36	80 Å²	80	19%	0.188	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-81.3	124.5	174.8	-84.7	143.5	0	0	0	111.5	Y58 I71 W73 Y143 Y162 I187	L56-Y58 HydrophobicContact CD2-CD2 4.38Å; L56-I71 HydrophobicContact CD2-CG2 4.09Å; L56-W73 HydrophobicContact CD1-CH2 3.98Å; L56-W73 HydrophobicContact CD1-CZ3 4.07Å; L56-W73 HydrophobicContact CD2-CD2 3.93Å; L56-W73 HydrophobicContact CD2-CE3 3.44Å; L56-W73 VanDerWaalsContact CD2-CE3 3.44Å; L56-W73 HydrophobicContact CD2-CH2 3.47Å; L56-W73 VanDerWaalsContact CD2-CH2 3.47Å; L56-W73 HydrophobicContact CD2-CZ2 3.94Å; L56-W73 HydrophobicContact CD2-CZ3 3.22Å; L56-W73 HydrophobicContact CG-CE3 3.96Å; L56-W73 HydrophobicContact CG-CH2 3.73Å; L56-W73 HydrophobicContact CG-CZ3 3.34Å; L56-Y143 HydrophobicContact CD1-CE2 3.84Å; L56-Y162 HydrophobicContact CD1-CD1 4.11Å; L56-Y162 HydrophobicContact CD1-CE1 3.71Å; L56-I187 VanDerWaalsContact N-CD1 3.32Å; L56-I187 WeakPolarHBondContact O-CD1 3.26Å; L56-I187 WeakPolarHBondContact O-CG1 2.93Å
57	N	37.3	Very low	40.6	Very low	47 Å²	47	77 Å²	77	25%	0.251	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-101.9	116.6	157.3	-121.3	-24	0	0	0	108.9	T74 I187	N57-T74 PolarHBondContact O-OG1 3.07Å; N57-I187 PolarHBondContact ND2-O 2.92Å; N57-I187 PolarHBondContact OD1-N 3.48Å
58	Y	40.6	Very low	41.4	Very low	48 Å²	48	75.3 Å²	75.3	19%	0.188	40%	0.402	C	S	.	.			trans	-131.3	135.4	179	-137.1	-93.4	0	0	0	109.6	L56 K70 I71 F72	L56-Y58 HydrophobicContact CD2-CD2 4.38Å; Y58-K70 PolarHBondContact OH-O 2.81Å; Y58-I71 HydrophobicContact CD2-CG2 3.95Å; Y58-I71 HydrophobicContact CE2-CB 3.9Å; Y58-I71 HydrophobicContact CE2-CG1 4.32Å; Y58-I71 HydrophobicContact CE2-CG2 3.34Å; Y58-I71 WeakPolarHBondContact OH-CA 3.06Å; Y58-F72 VanDerWaalsContact CE2-O 3.24Å; Y58-F72 WeakPolarHBondContact CE2-O 3.27Å; Y58-F72 PolarHBondContact OH-N 2.96Å
59	P	45	Very low	42.3	Very low	52 Å²	52	73.8 Å²	73.8	34%	0.338	40%	0.397	S	S	.	.			cis	-118.6	150.5	-45.8	33.2	-19.2	0	0	0	111.5	L61	P59-L61 PolarHBondContact O-N 2.66Å
60	Q	36.4	Very low	43.1	Very low	133 Å²	133	70.3 Å²	70.3	62%	0.621	38%	0.38	S	S	*	.			trans	-61.5	119.6	147.4	-76.4	175.3	-15.9	0	0	107	L62	Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 PolarHBondContact O-N 3.47Å
61	L	38.6	Very low	43.8	Very low	145 Å²	145	66.4 Å²	66.4	76%	0.759	36%	0.363	S	S	*	.			trans	-60.9	95.4	166	-87.9	158.1	0	0	0	107.9	P59 P63 Y67	P59-L61 PolarHBondContact O-N 2.66Å; L61-P63 WeakPolarHBondContact O-CD 3.26Å; L61-Y67 HydrophobicContact CD2-CE2 3.97Å
62	L	43.8	Very low	44.6	Very low	30 Å²	30	64.2 Å²	64.2	16%	0.157	36%	0.355	C	S	.	.			trans	-72.1	119.6	166.9	-62.2	169.5	0	0	0	108.4	Q60 G64 K65 Y67 K131	Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 PolarHBondContact O-N 3.47Å; L62-G64 PolarHBondContact O-N 2.89Å; L62-K65 HydrophobicContact CB-CG 4.45Å; L62-Y67 VanDerWaalsContact CA-OH 3.23Å; L62-Y67 WeakPolarHBondContact CA-OH 3.33Å; L62-Y67 VanDerWaalsContact CB-OH 3.28Å; L62-Y67 WeakPolarHBondContact CB-OH 3.5Å; L62-Y67 PolarHBondContact N-OH 3.41Å; L62-Y67 PolarHBondContact O-OH 2.71Å; L62-K131 HydrophobicContact CD1-CD 4.36Å
63	P	42.1	Very low	45.5	Very low	126 Å²	126	63.1 Å²	63.1	82%	0.818	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	140.5	-178.1	20.7	-29.2	0	0	0	111	L61	L61-P63 WeakPolarHBondContact O-CD 3.26Å
64	G	49.6	Very low	45.9	Very low	88 Å²	88	63.1 Å²	63.1	91%	0.907	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	12.6	174.5	0	0	0	0	0	116.7	L62	L62-G64 PolarHBondContact O-N 2.89Å
65	K	44.4	Very low	46.4	Very low	125 Å²	125	62.7 Å²	62.7	54%	0.543	35%	0.35	S	S	.	.			trans	-106.3	137.5	176.1	-70.9	-75.4	-179.4	-179.5	0	111.7	L62 Y67	L62-K65 HydrophobicContact CB-CG 4.45Å; K65-Y67 HydrophobicContact CB-CE1 4.48Å; K65-Y67 HydrophobicContact CB-CE2 4.23Å; K65-Y67 WeakPolarHBondContact O-CD2 3.35Å; K65-Y67 WeakPolarHBondContact O-CE2 3.27Å
66	N	47.8	Very low	47.3	Very low	118 Å²	118	62.2 Å²	62.2	63%	0.631	35%	0.345	S	S	*	.			trans	-84.1	115.8	172	-168.7	3.2	0	0	0	110.2	T68	N66-T68 VanDerWaalsContact CG-OG1 3.22Å; N66-T68 PolarHBondContact ND2-OG1 3.32Å; N66-T68 PolarHBondContact OD1-N 2.68Å; N66-T68 PolarHBondContact OD1-OG1 2.85Å
67	Y	49.7	Very low	47.9	Very low	58 Å²	58	60.8 Å²	60.8	23%	0.227	34%	0.338	C	S	.	.			trans	-91.1	-6	-176.6	-63.2	-80.6	0	0	0	114	L61 L62 K65 N69 K70 F72	L61-Y67 HydrophobicContact CD2-CE2 3.97Å; L62-Y67 VanDerWaalsContact CA-OH 3.23Å; L62-Y67 WeakPolarHBondContact CA-OH 3.33Å; L62-Y67 VanDerWaalsContact CB-OH 3.28Å; L62-Y67 WeakPolarHBondContact CB-OH 3.5Å; L62-Y67 PolarHBondContact N-OH 3.41Å; L62-Y67 PolarHBondContact O-OH 2.71Å; K65-Y67 HydrophobicContact CB-CE1 4.48Å; K65-Y67 HydrophobicContact CB-CE2 4.23Å; K65-Y67 WeakPolarHBondContact O-CD2 3.35Å; K65-Y67 WeakPolarHBondContact O-CE2 3.27Å; Y67-N69 PolarHBondContact O-N 2.87Å; Y67-K70 PolarHBondContact O-N 2.98Å; Y67-F72 AromaticContact CD1-CD2 3.81Å; Y67-F72 HydrophobicContact CD1-CD2 3.81Å; Y67-F72 AromaticContact CD1-CE2 3.66Å; Y67-F72 HydrophobicContact CD1-CE2 3.66Å; Y67-F72 AromaticContact CE1-CD2 3.88Å; Y67-F72 HydrophobicContact CE1-CD2 3.88Å; Y67-F72 AromaticContact CE1-CE2 3.87Å; Y67-F72 HydrophobicContact CE1-CE2 3.87Å
68	T	46.8	Very low	49	Very low	87 Å²	87	58.7 Å²	58.7	53%	0.534	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	127.5	-179.7	16.6	0	0	0	0	110.1	N66 K70	N66-T68 VanDerWaalsContact CG-OG1 3.22Å; N66-T68 PolarHBondContact ND2-OG1 3.32Å; N66-T68 PolarHBondContact OD1-N 2.68Å; N66-T68 PolarHBondContact OD1-OG1 2.85Å; T68-K70 VanDerWaalsContact C-N 3.27Å; T68-K70 PolarHBondContact O-N 3.39Å
69	N	47.6	Very low	49.5	Very low	80 Å²	80	57 Å²	57	43%	0.428	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	19	173.7	-55.2	-5.6	0	0	0	116.1	Y67 N135 L136 L137	Y67-N69 PolarHBondContact O-N 2.87Å; N69-N135 CarbonylContact O-C 3.41Å; N69-N135 WeakPolarHBondContact O-CA 3.37Å; N69-L136 PolarHBondContact O-N 3.04Å; N69-L137 HydrophobicContact CB-CB 3.76Å; N69-L137 HydrophobicContact CB-CD1 4.21Å; N69-L137 HydrophobicContact CB-CG 4.44Å; N69-L137 VanDerWaalsContact CG-CB 3.45Å; N69-L137 WeakPolarHBondContact OD1-CB 3.35Å; N69-L137 WeakPolarHBondContact OD1-CD1 3.45Å
70	K	49.1	Very low	50	Low	69 Å²	69	55.1 Å²	55.1	30%	0.3	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.6	-177.5	-66.2	176.7	177.6	-164.5	0	112.4	Y58 Y67 T68 F72 Q133 S134	Y58-K70 PolarHBondContact OH-O 2.81Å; Y67-K70 PolarHBondContact O-N 2.98Å; T68-K70 VanDerWaalsContact C-N 3.27Å; T68-K70 PolarHBondContact O-N 3.39Å; K70-F72 HydrophobicContact CB-CE2 4.13Å; K70-F72 HydrophobicContact CB-CZ 4.29Å; K70-F72 HydrophobicContact CD-CZ 4.17Å; K70-Q133 HydrophobicContact CB-CG 4.23Å; K70-Q133 HydrophobicContact CD-CG 4.14Å; K70-Q133 VanDerWaalsContact CE-NE2 3.25Å; K70-Q133 HydrophobicContact CG-CG 4.18Å; K70-S134 CarbonylContact C-O 3.54Å; K70-S134 WeakPolarHBondContact CA-O 3.48Å
71	I	52.6	Low	50.5	Low	9 Å²	9	49.4 Å²	49.4	5%	0.046	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.4	163.6	-61.8	-172.5	0	0	0	108.9	L56 Y58 W73 Q133 S134 L136 Y143	L56-I71 HydrophobicContact CD2-CG2 4.09Å; Y58-I71 HydrophobicContact CD2-CG2 3.95Å; Y58-I71 HydrophobicContact CE2-CB 3.9Å; Y58-I71 HydrophobicContact CE2-CG1 4.32Å; Y58-I71 HydrophobicContact CE2-CG2 3.34Å; Y58-I71 WeakPolarHBondContact OH-CA 3.06Å; I71-W73 HydrophobicContact CG2-CD2 4.16Å; I71-W73 HydrophobicContact CG2-CG 4.35Å; I71-W73 HydrophobicContact CG2-CZ2 4.04Å; I71-Q133 VanDerWaalsContact O-CA 3.29Å; I71-Q133 WeakPolarHBondContact O-CA 3.43Å; I71-S134 PolarHBondContact N-O 2.71Å; I71-S134 PolarHBondContact O-N 2.95Å; I71-L136 HydrophobicContact CB-CD1 4.45Å; I71-L136 HydrophobicContact CD1-CD1 3.74Å; I71-L136 HydrophobicContact CD1-CG 3.69Å; I71-L136 HydrophobicContact CG1-CB 4.15Å; I71-L136 HydrophobicContact CG1-CD1 3.14Å; I71-L136 HydrophobicContact CG1-CG 3.46Å; I71-L136 VanDerWaalsContact CG1-CG 3.46Å; I71-Y143 HydrophobicContact CD1-CD1 4.28Å; I71-Y143 HydrophobicContact CD1-CD2 3.74Å; I71-Y143 HydrophobicContact CD1-CE2 4.09Å; I71-Y143 HydrophobicContact CD1-CG 3.85Å
72	F	52.4	Low	51	Low	20 Å²	20	48.8 Å²	48.8	9%	0.088	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.9	165.5	-62.1	-74.4	0	0	0	111.3	Y58 Y67 K70 K131 Q133	Y58-F72 VanDerWaalsContact CE2-O 3.24Å; Y58-F72 WeakPolarHBondContact CE2-O 3.27Å; Y58-F72 PolarHBondContact OH-N 2.96Å; Y67-F72 AromaticContact CD1-CD2 3.81Å; Y67-F72 HydrophobicContact CD1-CD2 3.81Å; Y67-F72 AromaticContact CD1-CE2 3.66Å; Y67-F72 HydrophobicContact CD1-CE2 3.66Å; Y67-F72 AromaticContact CE1-CD2 3.88Å; Y67-F72 HydrophobicContact CE1-CD2 3.88Å; Y67-F72 AromaticContact CE1-CE2 3.87Å; Y67-F72 HydrophobicContact CE1-CE2 3.87Å; K70-F72 HydrophobicContact CB-CE2 4.13Å; K70-F72 HydrophobicContact CB-CZ 4.29Å; K70-F72 HydrophobicContact CD-CZ 4.17Å; F72-K131 HydrophobicContact CB-CD 4.22Å; F72-K131 HydrophobicContact CD1-CB 3.92Å; F72-K131 HydrophobicContact CD1-CD 3.54Å; F72-K131 HydrophobicContact CD1-CG 4.33Å; F72-K131 HydrophobicContact CE1-CD 4.22Å; F72-K131 HydrophobicContact CG-CD 4.11Å; F72-Q133 HydrophobicContact CD1-CG 4.41Å; F72-Q133 HydrophobicContact CE1-CG 4.03Å
73	W	58.3	Low	51.1	Low	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118	174.8	-53.8	81.5	0	0	0	109.5	L56 I71 I76 L132 Y143 I145 Y162	L56-W73 HydrophobicContact CD1-CH2 3.98Å; L56-W73 HydrophobicContact CD1-CZ3 4.07Å; L56-W73 HydrophobicContact CD2-CD2 3.93Å; L56-W73 HydrophobicContact CD2-CE3 3.44Å; L56-W73 VanDerWaalsContact CD2-CE3 3.44Å; L56-W73 HydrophobicContact CD2-CH2 3.47Å; L56-W73 VanDerWaalsContact CD2-CH2 3.47Å; L56-W73 HydrophobicContact CD2-CZ2 3.94Å; L56-W73 HydrophobicContact CD2-CZ3 3.22Å; L56-W73 HydrophobicContact CG-CE3 3.96Å; L56-W73 HydrophobicContact CG-CH2 3.73Å; L56-W73 HydrophobicContact CG-CZ3 3.34Å; I71-W73 HydrophobicContact CG2-CD2 4.16Å; I71-W73 HydrophobicContact CG2-CG 4.35Å; I71-W73 HydrophobicContact CG2-CZ2 4.04Å; W73-I76 HydrophobicContact CE3-CG1 4.46Å; W73-L132 HydrophobicContact CB-CB 4.02Å; W73-L132 VanDerWaalsContact CD1-CB 3.47Å; W73-L132 VanDerWaalsContact CD1-O 3.29Å; W73-L132 HydrophobicContact CG-CB 3.97Å; W73-L132 PolarHBondContact N-O 3.39Å; W73-L132 VanDerWaalsContact N-O 3.16Å; W73-Y143 HydrophobicContact CH2-CD2 4.36Å; W73-Y143 HydrophobicContact CH2-CE2 4.24Å; W73-Y143 HydrophobicContact CZ2-CD2 4.1Å; W73-Y143 HydrophobicContact CZ2-CE2 4.37Å; W73-I145 HydrophobicContact CD2-CD1 3.26Å; W73-I145 HydrophobicContact CD2-CG1 4.31Å; W73-I145 HydrophobicContact CE3-CD1 3.55Å; W73-I145 HydrophobicContact CG-CD1 3.76Å; W73-I145 HydrophobicContact CH2-CD1 3.74Å; W73-I145 HydrophobicContact CH2-CG1 4.14Å; W73-I145 HydrophobicContact CZ2-CD1 3.49Å; W73-I145 VanDerWaalsContact CZ2-CD1 3.49Å; W73-I145 HydrophobicContact CZ2-CG1 3.69Å; W73-I145 HydrophobicContact CZ3-CD1 3.74Å; W73-Y162 HydrophobicContact CH2-CD2 4.12Å; W73-Y162 AromaticContact CH2-CE2 3.73Å; W73-Y162 HydrophobicContact CH2-CE2 3.73Å; W73-Y162 HydrophobicContact CZ3-CE2 4.21Å
74	T	52.9	Low	51.6	Low	26 Å²	26	49.1 Å²	49.1	16%	0.16	27%	0.269	C	S	.	.			trans	-103.4	-20.3	177.9	55.4	0	0	0	0	112.8	N57 F126	N57-T74 PolarHBondContact O-OG1 3.07Å; T74-F126 PolarHBondContact O-N 3.25Å
75	S	53.2	Low	51.7	Low	9 Å²	9	52.5 Å²	52.5	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	144.9	177.4	-57.9	0	0	0	0	110.9	L124 H125	S75-L124 CarbonylContact C-O 3.59Å; S75-L124 WeakPolarHBondContact CA-O 3.38Å; S75-H125 PolarHBondContact OG-CE1 3Å; S75-H125 PolarHBondContact OG-ND1 3.25Å
76	I	62.4	Low	52	Low	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125	170.4	-78.4	168.5	0	0	0	108.5	M54 W73 L93 L124 F126 L132 I145	M54-I76 HydrophobicContact CE-CD1 4.35Å; M54-I76 HydrophobicContact CE-CG2 4.03Å; M54-I76 HydrophobicContact CG-CG2 3.89Å; M54-I76 HydrophobicContact SD-CD1 4.36Å; M54-I76 HydrophobicContact SD-CG1 4.49Å; M54-I76 HydrophobicContact SD-CG2 4.23Å; W73-I76 HydrophobicContact CE3-CG1 4.46Å; I76-L93 HydrophobicContact CD1-CD1 3.76Å; I76-L93 HydrophobicContact CD1-CD2 4.14Å; I76-L93 HydrophobicContact CD1-CG 4.46Å; I76-L124 PolarHBondContact N-O 2.84Å; I76-L124 PolarHBondContact O-N 3.16Å; I76-F126 HydrophobicContact CB-CE2 3.86Å; I76-F126 HydrophobicContact CB-CZ 4.13Å; I76-F126 HydrophobicContact CD1-CE2 3.62Å; I76-F126 HydrophobicContact CD1-CZ 3.86Å; I76-F126 HydrophobicContact CG1-CE2 3.72Å; I76-F126 HydrophobicContact CG1-CZ 4.26Å; I76-L132 HydrophobicContact CD1-CD1 4.05Å; I76-I145 HydrophobicContact CD1-CD1 4.02Å
77	V	56	Low	52.2	Low	5 Å²	5	47.6 Å²	47.6	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.2	166	-178.4	0	0	0	0	108.7	F34 L53 G122 I123	F34-V77 HydrophobicContact CE2-CB 4.3Å; F34-V77 HydrophobicContact CE2-CG1 3.58Å; F34-V77 HydrophobicContact CE2-CG2 4.1Å; F34-V77 HydrophobicContact CZ-CB 4.48Å; F34-V77 HydrophobicContact CZ-CG1 3.4Å; F34-V77 HydrophobicContact CZ-CG2 4.4Å; L53-V77 CarbonylContact C-O 3.55Å; L53-V77 CarbonylContact O-C 3.58Å; L53-V77 VanDerWaalsContact O-CB 3.25Å; L53-V77 WeakPolarHBondContact O-CB 3.25Å; L53-V77 WeakPolarHBondContact O-CG1 3.43Å; V77-G122 CarbonylContact C-O 3.48Å; V77-G122 WeakPolarHBondContact CA-O 3.48Å; V77-I123 HydrophobicContact CG2-CG1 4.24Å
78	Y	59.1	Low	52.6	Low	4 Å²	4	49.8 Å²	49.8	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.7	169.5	66.3	-87.4	0	0	0	111.9	F52 L80 M91 L117 V118 S119 S121 G122 L124	F52-Y78 HydrophobicContact CE1-CG 4.4Å; Y78-L80 HydrophobicContact CD2-CD1 3.66Å; Y78-L80 HydrophobicContact CD2-CG 3.86Å; Y78-L80 HydrophobicContact CE2-CD1 3.73Å; Y78-L80 HydrophobicContact CE2-CG 4.34Å; Y78-M91 HydrophobicContact CD1-CE 4.47Å; Y78-M91 HydrophobicContact CD2-CE 4.37Å; Y78-M91 HydrophobicContact CG-CE 4.07Å; Y78-L117 HydrophobicContact CD1-CD2 4.19Å; Y78-L117 HydrophobicContact CD2-CD2 4.26Å; Y78-L117 HydrophobicContact CE1-CD2 3.68Å; Y78-L117 HydrophobicContact CE2-CD2 3.74Å; Y78-L117 HydrophobicContact CG-CD2 4.46Å; Y78-L117 VanDerWaalsContact CZ-CD2 3.43Å; Y78-L117 WeakPolarHBondContact OH-CA 3.09Å; Y78-V118 PolarHBondContact OH-N 3.41Å; Y78-S119 WeakPolarHBondContact CE2-O 3.35Å; Y78-S121 CarbonylContact O-C 3.59Å; Y78-S121 VanDerWaalsContact O-CA 3.26Å; Y78-S121 WeakPolarHBondContact O-CA 3.31Å; Y78-G122 VanDerWaalsContact CD1-O 3.27Å; Y78-G122 WeakPolarHBondContact CD1-O 3.5Å; Y78-G122 PolarHBondContact N-O 2.81Å; Y78-G122 PolarHBondContact O-N 3.41Å; Y78-L124 HydrophobicContact CD1-CD1 3.83Å; Y78-L124 HydrophobicContact CD1-CG 3.74Å; Y78-L124 HydrophobicContact CE1-CD1 4.18Å; Y78-L124 HydrophobicContact CE1-CD2 4.17Å; Y78-L124 HydrophobicContact CE1-CG 3.71Å
79	L	52.2	Low	53.2	Low	12 Å²	12	45.8 Å²	45.8	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.4	161.2	-98.1	102.8	0	0	0	108.4	C41 Y51 L53 P120	C41-L79 HydrophobicContact CB-CD2 3.95Å; Y51-L79 CarbonylContact O-C 3.41Å; L53-L79 HydrophobicContact CB-CD1 4.3Å; L79-P120 CarbonylContact C-O 3.5Å; L79-P120 WeakPolarHBondContact CA-O 3.27Å
80	L	54.4	Low	53.7	Low	12 Å²	12	46.1 Å²	46.1	6%	0.063	24%	0.236	C	C	.	.			trans	-139.6	131.2	-176.6	-76.7	169.8	0	0	0	106.6	F52 Y78 I84 M91 L117 P120 L149	F52-L80 HydrophobicContact CE2-CD2 3.51Å; F52-L80 HydrophobicContact CE2-CG 4.24Å; F52-L80 HydrophobicContact CZ-CD2 3.55Å; F52-L80 HydrophobicContact CZ-CG 3.98Å; Y78-L80 HydrophobicContact CD2-CD1 3.66Å; Y78-L80 HydrophobicContact CD2-CG 3.86Å; Y78-L80 HydrophobicContact CE2-CD1 3.73Å; Y78-L80 HydrophobicContact CE2-CG 4.34Å; L80-I84 HydrophobicContact CB-CD1 4.12Å; L80-I84 HydrophobicContact CD2-CD1 3.42Å; L80-I84 VanDerWaalsContact CD2-CD1 3.42Å; L80-I84 HydrophobicContact CG-CD1 4.36Å; L80-M91 HydrophobicContact CD1-CE 4.46Å; L80-L117 HydrophobicContact CD1-CD1 4.09Å; L80-L117 HydrophobicContact CD1-CD2 4.43Å; L80-P120 WeakPolarHBondContact CA-O 3.28Å; L80-P120 WeakPolarHBondContact CB-O 3.32Å; L80-P120 PolarHBondContact N-O 2.78Å; L80-P120 WeakPolarHBondContact O-CA 3.37Å; L80-P120 WeakPolarHBondContact O-CB 3.35Å; L80-L149 HydrophobicContact CD2-CD1 4Å; L80-L149 HydrophobicContact CD2-CD2 3.67Å; L80-L149 HydrophobicContact CD2-CG 4.45Å
81	P	47.5	Very low	54.4	Low	14 Å²	14	42.8 Å²	42.8	9%	0.091	22%	0.222	C	C	.	.			trans	-60	143.6	170	27.6	-39.1	0	0	0	110.9	E49 K50 I83 I84	E49-P81 VanDerWaalsContact O-CG 3.26Å; E49-P81 WeakPolarHBondContact O-CG 2.96Å; K50-P81 HydrophobicContact CG-CG 4Å; P81-I83 PolarHBondContact O-N 2.73Å; P81-I84 HydrophobicContact CG-CD1 3.51Å; P81-I84 HydrophobicContact CG-CG1 3.94Å; P81-I84 WeakPolarHBondContact O-CB 3.45Å; P81-I84 PolarHBondContact O-N 3.21Å; P81-I84 VanDerWaalsContact O-N 3.1Å
82	E	49.8	Very low	54.8	Low	131 Å²	131	43.4 Å²	43.4	61%	0.612	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-54.4	-24.5	-178.5	-74.2	-158.7	128.6	0	0	114	I84 K85 P120	E82-I84 PolarHBondContact O-N 2.63Å; E82-I84 VanDerWaalsContact O-N 3.08Å; E82-K85 WeakPolarHBondContact O-CG 3.45Å; E82-P120 HydrophobicContact CG-CB 4.44Å; E82-P120 HydrophobicContact CG-CG 4.01Å
83	I	46.1	Very low	55.3	Low	144 Å²	144	42.5 Å²	42.5	74%	0.738	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.6	-16.9	-179.2	-64.6	169.4	0	0	0	112.3	P81 K85	P81-I83 PolarHBondContact O-N 2.73Å; I83-K85 PolarHBondContact O-N 3.31Å
84	I	51.8	Low	55.4	Low	20 Å²	20	46.4 Å²	46.4	10%	0.103	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-74	7.6	-175.5	-64.8	174.9	0	0	0	113.7	L80 P81 E82 T86 T89 L149 L151	L80-I84 HydrophobicContact CB-CD1 4.12Å; L80-I84 HydrophobicContact CD2-CD1 3.42Å; L80-I84 VanDerWaalsContact CD2-CD1 3.42Å; L80-I84 HydrophobicContact CG-CD1 4.36Å; P81-I84 HydrophobicContact CG-CD1 3.51Å; P81-I84 HydrophobicContact CG-CG1 3.94Å; P81-I84 WeakPolarHBondContact O-CB 3.45Å; P81-I84 PolarHBondContact O-N 3.21Å; P81-I84 VanDerWaalsContact O-N 3.1Å; E82-I84 PolarHBondContact O-N 2.63Å; E82-I84 VanDerWaalsContact O-N 3.08Å; I84-T86 PolarHBondContact O-N 3.33Å; I84-T89 HydrophobicContact CG2-CG2 3.37Å; I84-T89 PolarHBondContact O-OG1 3.04Å; I84-L149 HydrophobicContact CD1-CD2 3.77Å; I84-L149 HydrophobicContact CG2-CD2 4.34Å; I84-L151 HydrophobicContact CG2-CD2 4.49Å
85	K	50.8	Low	55.6	Low	158 Å²	158	45.9 Å²	45.9	69%	0.687	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-55.2	-4.1	176.1	-77.9	173.8	-176.6	172.8	0	116.5	E82 I83 K114	E82-K85 WeakPolarHBondContact O-CG 3.45Å; I83-K85 PolarHBondContact O-N 3.31Å; K85-K114 PolarHBondContact O-NZ 2.91Å
86	T	51	Low	55.6	Low	50 Å²	50	46 Å²	46	31%	0.307	23%	0.233	S	C	.	.	S	Bend	trans	-68	151.5	178.1	66	0	0	0	0	113.9	I84 N88 T89 K114 L151	I84-T86 PolarHBondContact O-N 3.33Å; T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 2.95Å; T86-T89 PolarHBondContact O-OG1 2.89Å; T86-K114 VanDerWaalsContact C-NZ 3.31Å; T86-K114 WeakPolarHBondContact O-CD 3.2Å; T86-K114 VanDerWaalsContact O-CE 3.31Å; T86-K114 WeakPolarHBondContact O-CE 3.03Å; T86-K114 PolarHBondContact O-NZ 3.38Å; T86-L151 WeakPolarHBondContact OG1-CD2 3.49Å
87	S	51.5	Low	55	Low	91 Å²	91	49.2 Å²	49.2	64%	0.636	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.7	-164.3	41.9	0	0	0	0	117.1
88	N	60	Low	54.8	Low	104 Å²	104	52 Å²	52	56%	0.556	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	27.4	-171.3	-72.4	-8.7	0	0	0	114.1	T86 K90 K152	T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 2.95Å; N88-K90 PolarHBondContact O-N 2.77Å; N88-K152 HydrophobicContact CB-CG 4.49Å
89	T	57.5	Low	54.5	Low	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.2	177.1	-42.3	0	0	0	0	110.2	I84 T86 L149 S150 L151	I84-T89 HydrophobicContact CG2-CG2 3.37Å; I84-T89 PolarHBondContact O-OG1 3.04Å; T86-T89 PolarHBondContact O-OG1 2.89Å; T89-L149 HydrophobicContact CG2-CD2 3.67Å; T89-L149 HydrophobicContact CG2-CG 4.27Å; T89-S150 WeakPolarHBondContact CA-O 3.2Å; T89-L151 HydrophobicContact CG2-CD2 4.05Å; T89-L151 HydrophobicContact CG2-CG 4.05Å; T89-L151 VanDerWaalsContact OG1-CD2 3.29Å; T89-L151 WeakPolarHBondContact OG1-CD2 3.27Å
90	K	58.9	Low	54.6	Low	87 Å²	87	59.8 Å²	59.8	38%	0.378	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.9	169.7	-59.7	-176.9	179.8	-103.3	0	109.4	N88 I111 D113 S150	N88-K90 PolarHBondContact O-N 2.77Å; K90-I111 HydrophobicContact CB-CG2 4.45Å; K90-I111 HydrophobicContact CD-CG2 4.25Å; K90-D113 WeakPolarHBondContact CE-OD1 3.37Å; K90-D113 WeakPolarHBondContact CG-OD1 3.16Å; K90-D113 IonicContact NZ-OD1 2.73Å; K90-D113 PolarHBondContact NZ-OD1 3.34Å; K90-D113 IonicContact NZ-OD2 3.65Å; K90-S150 PolarHBondContact N-O 3.2Å; K90-S150 PolarHBondContact O-N 3.24Å
91	M	64.1	Low	54.4	Low	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.3	167.9	-178.7	-170.8	-48	0	0	108.6	F52 Y78 L80 L93 V112 L117 L124 E148	F52-M91 HydrophobicContact CE1-CE 3.33Å; F52-M91 HydrophobicContact CE1-CG 4.5Å; F52-M91 HydrophobicContact CE1-SD 3.66Å; F52-M91 HydrophobicContact CZ-CE 3.41Å; F52-M91 VanDerWaalsContact CZ-CE 3.41Å; F52-M91 HydrophobicContact CZ-SD 4.15Å; Y78-M91 HydrophobicContact CD1-CE 4.47Å; Y78-M91 HydrophobicContact CD2-CE 4.37Å; Y78-M91 HydrophobicContact CG-CE 4.07Å; L80-M91 HydrophobicContact CD1-CE 4.46Å; M91-L93 HydrophobicContact CG-CD2 4.17Å; M91-L93 HydrophobicContact CG-CG 4.18Å; M91-L93 HydrophobicContact SD-CD1 4.23Å; M91-L93 HydrophobicContact SD-CD2 3.94Å; M91-L93 HydrophobicContact SD-CG 4.14Å; M91-V112 HydrophobicContact CB-CB 4.23Å; M91-V112 PolarHBondContact N-O 3.49Å; M91-V112 PolarHBondContact O-N 3.39Å; M91-L117 HydrophobicContact CB-CD1 4.46Å; M91-L117 HydrophobicContact CE-CD1 4.19Å; M91-L117 HydrophobicContact CE-CD2 3.62Å; M91-L124 HydrophobicContact CE-CD1 4.12Å; M91-L124 HydrophobicContact SD-CD1 3.71Å; M91-E148 WeakPolarHBondContact CA-O 3.16Å
92	I	60.7	Low	54.6	Low	22 Å²	22	67.2 Å²	67.2	11%	0.113	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.6	176.8	-53.3	175.8	0	0	0	107.1	T109 I110 I111 C147 E148	I92-T109 HydrophobicContact CG2-CG2 3.45Å; I92-T109 VanDerWaalsContact CG2-CG2 3.45Å; I92-I110 WeakPolarHBondContact CA-O 3.29Å; I92-I111 HydrophobicContact CG1-CG1 4.41Å; I92-C147 WeakPolarHBondContact O-CA 3.43Å; I92-E148 HydrophobicContact CB-CB 4.24Å; I92-E148 PolarHBondContact N-O 3.08Å; I92-E148 PolarHBondContact O-N 3.3Å
93	L	63.9	Low	54.3	Low	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.8	177.8	-59	164.6	0	0	0	108.2	M54 I76 M91 T109 I110 V112 L124 F126 L132 I145 C147	M54-L93 HydrophobicContact CE-CD2 3.51Å; I76-L93 HydrophobicContact CD1-CD1 3.76Å; I76-L93 HydrophobicContact CD1-CD2 4.14Å; I76-L93 HydrophobicContact CD1-CG 4.46Å; M91-L93 HydrophobicContact CG-CD2 4.17Å; M91-L93 HydrophobicContact CG-CG 4.18Å; M91-L93 HydrophobicContact SD-CD1 4.23Å; M91-L93 HydrophobicContact SD-CD2 3.94Å; M91-L93 HydrophobicContact SD-CG 4.14Å; L93-T109 CarbonylContact O-C 3.54Å; L93-T109 WeakPolarHBondContact O-CA 3.02Å; L93-I110 HydrophobicContact CB-CB 4.26Å; L93-I110 PolarHBondContact N-O 3.24Å; L93-I110 PolarHBondContact O-N 3.31Å; L93-V112 HydrophobicContact CD1-CG2 4.19Å; L93-L124 HydrophobicContact CD1-CD1 4.48Å; L93-F126 HydrophobicContact CD1-CE1 4.01Å; L93-F126 HydrophobicContact CD1-CZ 3.5Å; L93-L132 HydrophobicContact CB-CD1 3.75Å; L93-L132 HydrophobicContact CD1-CD1 4.47Å; L93-I145 HydrophobicContact CD2-CG2 4.38Å; L93-C147 HydrophobicContact CD2-CB 4.03Å
94	R	59.7	Low	54.2	Low	84 Å²	84	67.8 Å²	67.8	32%	0.317	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.5	177.7	29.4	171.6	164.5	-158.9	-0.8	111.2	A96 T109 V146 E148	R94-A96 PolarHBondContact O-N 2.74Å; R94-T109 HydrophobicContact CB-CG2 4.49Å; R94-V146 HydrophobicContact CG-CB 4.22Å; R94-V146 PolarHBondContact N-O 3.44Å; R94-V146 PolarHBondContact O-N 3.36Å; R94-E148 IonicContact CZ-OE1 2.99Å; R94-E148 IonicContact CZ-OE2 3.49Å; R94-E148 VanDerWaalsContact NE-CD 3.3Å; R94-E148 IonicContact NE-OE1 2.71Å; R94-E148 PolarHBondContact NE-OE1 2.86Å; R94-E148 IonicContact NE-OE2 3.61Å; R94-E148 IonicContact NH2-OE1 2.68Å; R94-E148 PolarHBondContact NH2-OE1 2.84Å; R94-E148 IonicContact NH2-OE2 2.66Å; R94-E148 PolarHBondContact NH2-OE2 2.9Å
95	D	57	Low	53.6	Low	15 Å²	15	74.3 Å²	74.3	8%	0.08	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.1	170.9	-173.1	10.5	0	0	0	109.4	N97 Q133 S134	D95-N97 VanDerWaalsContact C-N 3.31Å; D95-N97 PolarHBondContact OD1-N 3.2Å; D95-N97 VanDerWaalsContact OD1-N 3.16Å; D95-Q133 VanDerWaalsContact OD2-O 3.13Å; D95-S134 VanDerWaalsContact CG-OG 3.26Å; D95-S134 WeakPolarHBondContact OD1-CB 3.26Å; D95-S134 PolarHBondContact OD1-OG 3.36Å; D95-S134 WeakPolarHBondContact OD2-CA 3.24Å
96	A	52.6	Low	53.5	Low	12 Å²	12	72.9 Å²	72.9	10%	0.099	40%	0.403	C	S	.	.	S	Bend	trans	-81.2	-15.3	178.9	0	0	0	0	0	113.1	R94 P98 S144 V146	R94-A96 PolarHBondContact O-N 2.74Å; A96-P98 VanDerWaalsContact C-CD 3.43Å; A96-S144 WeakPolarHBondContact CB-O 3.46Å; A96-S144 WeakPolarHBondContact CB-OG 3.32Å; A96-S144 PolarHBondContact N-O 3.35Å; A96-V146 HydrophobicContact CB-CG2 3.56Å
97	N	50.4	Low	53.6	Low	66 Å²	66	75.8 Å²	75.8	35%	0.353	42%	0.417	S	S	.	.	S	Bend	trans	-127.7	62.4	175.6	-63.9	-32	0	0	0	109.7	D95 N99 N142	D95-N97 VanDerWaalsContact C-N 3.31Å; D95-N97 PolarHBondContact OD1-N 3.2Å; D95-N97 VanDerWaalsContact OD1-N 3.16Å; N97-N99 PolarHBondContact O-N 2.97Å; N97-N142 PolarHBondContact ND2-O 3.44Å
98	P	52.6	Low	54	Low	63 Å²	63	73.2 Å²	73.2	41%	0.409	40%	0.398	S	S	.	.			trans	-58.6	136	-178.3	26.1	-32.9	0	0	0	109.7	A96 P100	A96-P98 VanDerWaalsContact C-CD 3.43Å; P98-P100 WeakPolarHBondContact O-CD 3.38Å
99	N	51.9	Low	54.1	Low	62 Å²	62	71.2 Å²	71.2	33%	0.332	39%	0.39	S	S	.	.			trans	-68	112.9	-179.7	-174.1	14	0	0	0	110.4	N97 N101 S102 N135	N97-N99 PolarHBondContact O-N 2.97Å; N99-N101 PolarHBondContact O-N 3.33Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N99-S102 WeakPolarHBondContact O-CB 2.91Å; N99-S102 PolarHBondContact O-N 3.16Å; N99-N135 VanDerWaalsContact CB-ND2 3.27Å; N99-N135 WeakPolarHBondContact CB-ND2 3.42Å; N99-N135 PolarHBondContact ND2-ND2 2.78Å; N99-N135 VanDerWaalsContact ND2-ND2 3.12Å
100	P	53.3	Low	54.6	Low	119 Å²	119	71.7 Å²	71.7	77%	0.773	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.3	-176.4	26.8	-33.8	0	0	0	112.9	P98	P98-P100 WeakPolarHBondContact O-CD 3.38Å
101	N	51.1	Low	55	Low	133 Å²	133	72.4 Å²	72.4	71%	0.711	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	9.7	-177.8	-64.7	-5	0	0	0	113.3	N99 N103	N99-N101 PolarHBondContact O-N 3.33Å; N99-N101 PolarHBondContact OD1-N 3.13Å; N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 VanDerWaalsContact O-N 3.13Å
102	S	50.9	Low	55.2	Low	49 Å²	49	72.9 Å²	72.9	34%	0.343	40%	0.401	S	S	.	.			trans	-75.7	99.2	174.1	179.1	0	0	0	0	109.3	N99 N104	N99-S102 WeakPolarHBondContact O-CB 2.91Å; N99-S102 PolarHBondContact O-N 3.16Å; S102-N104 CarbonylContact O-C 3.57Å; S102-N104 PolarHBondContact O-N 2.93Å; S102-N104 PolarHBondContact OG-O 2.79Å
103	N	44.7	Very low	55.4	Low	161 Å²	161	75.3 Å²	75.3	86%	0.861	42%	0.415	S	S	*	.	S	Bend	trans	-59.9	-9.2	170.8	-76.8	-7.6	0	0	0	113.4	N101 N105	N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 VanDerWaalsContact O-N 3.13Å; N103-N105 PolarHBondContact O-N 3.42Å
104	N	44.1	Very low	55.2	Low	126 Å²	126	78.9 Å²	78.9	67%	0.674	43%	0.43	S	S	*	.	S	Bend	trans	-85.7	102.5	162.4	-74.2	-11.5	0	0	0	108.2	S102 N106	S102-N104 CarbonylContact O-C 3.57Å; S102-N104 PolarHBondContact O-N 2.93Å; S102-N104 PolarHBondContact OG-O 2.79Å; N104-N106 PolarHBondContact O-N 3.39Å
105	N	39.8	Very low	55.1	Low	156 Å²	156	84 Å²	84	83%	0.834	46%	0.458	S	S	*	.			trans	-52.9	10.8	173.3	-95.7	-10.4	0	0	0	116.1	N103 N107	N103-N105 PolarHBondContact O-N 3.42Å; N105-N107 PolarHBondContact O-N 3.25Å
106	N	47	Very low	55.1	Low	128 Å²	128	86.4 Å²	86.4	68%	0.684	48%	0.476	S	S	*	.			trans	-83.7	76.8	174	-68	-0.7	0	0	0	108.3	N104 T108	N104-N106 PolarHBondContact O-N 3.39Å; N106-T108 HydrophobicContact CB-CG2 4.39Å; N106-T108 PolarHBondContact O-N 2.91Å
107	N	53	Low	55.4	Low	111 Å²	111	87 Å²	87	59%	0.594	48%	0.477	S	S	*	.			trans	-53	97.3	146	-80.8	-18.9	0	0	0	105.2	N105 T109	N105-N107 PolarHBondContact O-N 3.25Å; N107-T109 PolarHBondContact O-N 3.44Å; N107-T109 PolarHBondContact O-OG1 2.87Å
108	T	60.8	Low	55.6	Low	38 Å²	38	90.2 Å²	90.2	23%	0.233	50%	0.499	C	S	.	.			trans	-67.5	82.5	-171.1	38.2	0	0	0	0	108.3	N106 K131 L132 Q133	N106-T108 HydrophobicContact CB-CG2 4.39Å; N106-T108 PolarHBondContact O-N 2.91Å; T108-K131 VanDerWaalsContact CG2-O 3.29Å; T108-K131 WeakPolarHBondContact CG2-O 3.04Å; T108-L132 WeakPolarHBondContact O-CD2 3.18Å; T108-Q133 PolarHBondContact OG1-N 3.47Å
109	T	62.2	Low	55.7	Low	62 Å²	62	89.3 Å²	89.3	38%	0.38	49%	0.494	S	S	.	.			trans	-97.2	114.9	178.2	-50.6	0	0	0	0	105.2	I92 L93 R94 N107 I111	I92-T109 HydrophobicContact CG2-CG2 3.45Å; I92-T109 VanDerWaalsContact CG2-CG2 3.45Å; L93-T109 CarbonylContact O-C 3.54Å; L93-T109 WeakPolarHBondContact O-CA 3.02Å; R94-T109 HydrophobicContact CB-CG2 4.49Å; N107-T109 PolarHBondContact O-N 3.44Å; N107-T109 PolarHBondContact O-OG1 2.87Å; T109-I111 HydrophobicContact CG2-CG1 4.48Å
110	I	67.1	Low	55.7	Low	12 Å²	12	89.1 Å²	89.1	6%	0.062	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.6	174.8	-50.5	-176.1	0	0	0	106.9	I92 L93 V112 F126 I130 L132	I92-I110 WeakPolarHBondContact CA-O 3.29Å; L93-I110 HydrophobicContact CB-CB 4.26Å; L93-I110 PolarHBondContact N-O 3.24Å; L93-I110 PolarHBondContact O-N 3.31Å; I110-V112 HydrophobicContact CG2-CG2 3.98Å; I110-F126 HydrophobicContact CD1-CD1 3.64Å; I110-F126 HydrophobicContact CD1-CE1 3.79Å; I110-F126 HydrophobicContact CD1-CG 4.05Å; I110-F126 HydrophobicContact CD1-CZ 4.32Å; I110-F126 HydrophobicContact CG2-CD1 4.09Å; I110-F126 HydrophobicContact CG2-CE1 3.79Å; I110-I130 HydrophobicContact CD1-CG2 3.56Å; I110-I130 HydrophobicContact CG1-CG2 3.61Å; I110-I130 HydrophobicContact CG2-CG2 4.37Å; I110-L132 HydrophobicContact CD1-CD1 3.54Å; I110-L132 HydrophobicContact CD1-CG 3.7Å; I110-L132 HydrophobicContact CG1-CD1 4.04Å; I110-L132 HydrophobicContact CG1-CG 4Å
111	I	68.8	Low	55.6	Low	101 Å²	101	84.6 Å²	84.6	52%	0.518	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.6	172.2	-55.9	177.2	0	0	0	106.8	K90 I92 T109	K90-I111 HydrophobicContact CB-CG2 4.45Å; K90-I111 HydrophobicContact CD-CG2 4.25Å; I92-I111 HydrophobicContact CG1-CG1 4.41Å; T109-I111 HydrophobicContact CG2-CG1 4.48Å
112	V	68.4	Low	55.6	Low	10 Å²	10	78.7 Å²	78.7	6%	0.061	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.6	176.6	-179.2	0	0	0	0	107.3	M91 L93 I110 L117 L124 F126	M91-V112 HydrophobicContact CB-CB 4.23Å; M91-V112 PolarHBondContact N-O 3.49Å; M91-V112 PolarHBondContact O-N 3.39Å; L93-V112 HydrophobicContact CD1-CG2 4.19Å; I110-V112 HydrophobicContact CG2-CG2 3.98Å; V112-L117 HydrophobicContact CG1-CD2 4.05Å; V112-L117 HydrophobicContact CG1-CG 4.23Å; V112-L124 HydrophobicContact CB-CD1 4.45Å; V112-L124 HydrophobicContact CG1-CD1 4.04Å; V112-L124 HydrophobicContact CG1-CD2 3.55Å; V112-L124 HydrophobicContact CG1-CG 4.44Å; V112-L124 HydrophobicContact CG2-CD1 4.08Å; V112-L124 HydrophobicContact CG2-CD2 4.5Å; V112-F126 HydrophobicContact CG2-CE1 4.33Å
113	D	64.8	Low	56	Low	74 Å²	74	79.3 Å²	79.3	40%	0.396	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	155	177.5	-84.6	-34.1	0	0	0	111.4	K90 Q115 S116	K90-D113 WeakPolarHBondContact CE-OD1 3.37Å; K90-D113 WeakPolarHBondContact CG-OD1 3.16Å; K90-D113 IonicContact NZ-OD1 2.73Å; K90-D113 PolarHBondContact NZ-OD1 3.34Å; K90-D113 IonicContact NZ-OD2 3.65Å; D113-Q115 PolarHBondContact O-N 2.88Å; D113-S116 WeakPolarHBondContact O-CB 3.34Å; D113-S116 PolarHBondContact O-N 2.91Å; D113-S116 PolarHBondContact O-OG 2.98Å
114	K	59.2	Low	56.7	Low	75 Å²	75	72.3 Å²	72.3	33%	0.326	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-50.3	-33.8	-175.1	-170.2	-175.5	176.5	-174.4	0	114.7	K85 T86 S116 L117	K85-K114 PolarHBondContact O-NZ 2.91Å; T86-K114 VanDerWaalsContact C-NZ 3.31Å; T86-K114 WeakPolarHBondContact O-CD 3.2Å; T86-K114 VanDerWaalsContact O-CE 3.31Å; T86-K114 WeakPolarHBondContact O-CE 3.03Å; T86-K114 PolarHBondContact O-NZ 3.38Å; K114-S116 PolarHBondContact O-N 3.49Å; K114-L117 WeakPolarHBondContact O-CA 3.24Å; K114-L117 PolarHBondContact O-N 2.9Å
115	Q	56.6	Low	57.4	Low	190 Å²	190	72.9 Å²	72.9	89%	0.888	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.1	-179.7	-68.3	177.5	-9.4	0	0	112.6	D113	D113-Q115 PolarHBondContact O-N 2.88Å
116	S	57.2	Low	58.3	Low	66 Å²	66	66.5 Å²	66.5	46%	0.462	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-84	-13	175.5	-40.4	0	0	0	0	112.9	D113 K114 V118	D113-S116 WeakPolarHBondContact O-CB 3.34Å; D113-S116 PolarHBondContact O-N 2.91Å; D113-S116 PolarHBondContact O-OG 2.98Å; K114-S116 PolarHBondContact O-N 3.49Å; S116-V118 PolarHBondContact O-N 3.4Å
117	L	59.7	Low	58.7	Low	25 Å²	25	65.2 Å²	65.2	13%	0.131	36%	0.359	C	S	.	.			trans	-97.6	78.9	-179.1	-59.4	172.3	0	0	0	109.3	Y78 L80 M91 V112 K114 S119 L124	Y78-L117 HydrophobicContact CD1-CD2 4.19Å; Y78-L117 HydrophobicContact CD2-CD2 4.26Å; Y78-L117 HydrophobicContact CE1-CD2 3.68Å; Y78-L117 HydrophobicContact CE2-CD2 3.74Å; Y78-L117 HydrophobicContact CG-CD2 4.46Å; Y78-L117 VanDerWaalsContact CZ-CD2 3.43Å; Y78-L117 WeakPolarHBondContact OH-CA 3.09Å; L80-L117 HydrophobicContact CD1-CD1 4.09Å; L80-L117 HydrophobicContact CD1-CD2 4.43Å; M91-L117 HydrophobicContact CB-CD1 4.46Å; M91-L117 HydrophobicContact CE-CD1 4.19Å; M91-L117 HydrophobicContact CE-CD2 3.62Å; V112-L117 HydrophobicContact CG1-CD2 4.05Å; V112-L117 HydrophobicContact CG1-CG 4.23Å; K114-L117 WeakPolarHBondContact O-CA 3.24Å; K114-L117 PolarHBondContact O-N 2.9Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 3.38Å; L117-L124 HydrophobicContact CD2-CD1 4.28Å; L117-L124 HydrophobicContact CD2-CD2 4.2Å
118	V	54.1	Low	58.4	Low	133 Å²	133	64 Å²	64	81%	0.806	35%	0.353	S	S	*	.			trans	-75.9	-15.1	-169.3	-146.4	0	0	0	0	113.1	Y78 S116	Y78-V118 PolarHBondContact OH-N 3.41Å; S116-V118 PolarHBondContact O-N 3.4Å
119	S	55.2	Low	57.8	Low	45 Å²	45	68 Å²	68	32%	0.315	38%	0.377	S	S	.	.	S	Bend	trans	-152.3	163.3	-170.3	48.6	0	0	0	0	112.3	Y78 L117 S121	Y78-S119 WeakPolarHBondContact CE2-O 3.35Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 3.38Å; S119-S121 WeakPolarHBondContact CB-O 3.46Å; S119-S121 PolarHBondContact O-N 3.24Å; S119-S121 PolarHBondContact OG-O 3.32Å
120	P	50.8	Low	57.2	Low	58 Å²	58	69.3 Å²	69.3	38%	0.377	38%	0.381	S	S	.	.	S	Bend	trans	-59.1	-30	171.2	-19.7	31.6	0	0	0	111.5	L79 L80 E82	L79-P120 CarbonylContact C-O 3.5Å; L79-P120 WeakPolarHBondContact CA-O 3.27Å; L80-P120 WeakPolarHBondContact CA-O 3.28Å; L80-P120 WeakPolarHBondContact CB-O 3.32Å; L80-P120 PolarHBondContact N-O 2.78Å; L80-P120 WeakPolarHBondContact O-CA 3.37Å; L80-P120 WeakPolarHBondContact O-CB 3.35Å; E82-P120 HydrophobicContact CG-CB 4.44Å; E82-P120 HydrophobicContact CG-CG 4.01Å
121	S	51.6	Low	56.7	Low	23 Å²	23	70.4 Å²	70.4	16%	0.161	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.8	176.4	59.5	0	0	0	0	110.2	Y78 S119	Y78-S121 CarbonylContact O-C 3.59Å; Y78-S121 VanDerWaalsContact O-CA 3.26Å; Y78-S121 WeakPolarHBondContact O-CA 3.31Å; S119-S121 WeakPolarHBondContact CB-O 3.46Å; S119-S121 PolarHBondContact O-N 3.24Å; S119-S121 PolarHBondContact OG-O 3.32Å
122	G	52.6	Low	56	Low	9 Å²	9	65.6 Å²	65.6	9%	0.093	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	175.3	-178.4	0	0	0	0	0	114.4	V77 Y78	V77-G122 CarbonylContact C-O 3.48Å; V77-G122 WeakPolarHBondContact CA-O 3.48Å; Y78-G122 VanDerWaalsContact CD1-O 3.27Å; Y78-G122 WeakPolarHBondContact CD1-O 3.5Å; Y78-G122 PolarHBondContact N-O 2.81Å; Y78-G122 PolarHBondContact O-N 3.41Å
123	I	57.8	Low	55.3	Low	63 Å²	63	67.8 Å²	67.8	32%	0.323	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.5	175.7	-49.8	-175.4	0	0	0	108.4	V77 A189	V77-I123 HydrophobicContact CG2-CG1 4.24Å; I123-A189 HydrophobicContact CD1-CB 4.32Å
124	L	59.5	Low	54.6	Low	14 Å²	14	64.3 Å²	64.3	7%	0.073	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.8	168.7	-69.6	165.4	0	0	0	108.4	S75 I76 Y78 M91 L93 V112 L117 F126	S75-L124 CarbonylContact C-O 3.59Å; S75-L124 WeakPolarHBondContact CA-O 3.38Å; I76-L124 PolarHBondContact N-O 2.84Å; I76-L124 PolarHBondContact O-N 3.16Å; Y78-L124 HydrophobicContact CD1-CD1 3.83Å; Y78-L124 HydrophobicContact CD1-CG 3.74Å; Y78-L124 HydrophobicContact CE1-CD1 4.18Å; Y78-L124 HydrophobicContact CE1-CD2 4.17Å; Y78-L124 HydrophobicContact CE1-CG 3.71Å; M91-L124 HydrophobicContact CE-CD1 4.12Å; M91-L124 HydrophobicContact SD-CD1 3.71Å; L93-L124 HydrophobicContact CD1-CD1 4.48Å; V112-L124 HydrophobicContact CB-CD1 4.45Å; V112-L124 HydrophobicContact CG1-CD1 4.04Å; V112-L124 HydrophobicContact CG1-CD2 3.55Å; V112-L124 HydrophobicContact CG1-CG 4.44Å; V112-L124 HydrophobicContact CG2-CD1 4.08Å; V112-L124 HydrophobicContact CG2-CD2 4.5Å; L117-L124 HydrophobicContact CD2-CD1 4.28Å; L117-L124 HydrophobicContact CD2-CD2 4.2Å; L124-F126 HydrophobicContact CB-CE1 4.28Å; L124-F126 HydrophobicContact CB-CE2 4.49Å; L124-F126 HydrophobicContact CB-CZ 3.91Å
125	H	59.6	Low	54.1	Low	137 Å²	137	62.4 Å²	62.4	63%	0.634	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	127	169.3	-80.2	-78.1	0	0	0	110	S75	S75-H125 PolarHBondContact OG-CE1 3Å; S75-H125 PolarHBondContact OG-ND1 3.25Å
126	F	59.2	Low	53.6	Low	23 Å²	23	56.7 Å²	56.7	10%	0.101	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-97.1	118.3	172.6	-50.7	-70.5	0	0	0	108.8	T74 I76 L93 I110 V112 L124 I130	T74-F126 PolarHBondContact O-N 3.25Å; I76-F126 HydrophobicContact CB-CE2 3.86Å; I76-F126 HydrophobicContact CB-CZ 4.13Å; I76-F126 HydrophobicContact CD1-CE2 3.62Å; I76-F126 HydrophobicContact CD1-CZ 3.86Å; I76-F126 HydrophobicContact CG1-CE2 3.72Å; I76-F126 HydrophobicContact CG1-CZ 4.26Å; L93-F126 HydrophobicContact CD1-CE1 4.01Å; L93-F126 HydrophobicContact CD1-CZ 3.5Å; I110-F126 HydrophobicContact CD1-CD1 3.64Å; I110-F126 HydrophobicContact CD1-CE1 3.79Å; I110-F126 HydrophobicContact CD1-CG 4.05Å; I110-F126 HydrophobicContact CD1-CZ 4.32Å; I110-F126 HydrophobicContact CG2-CD1 4.09Å; I110-F126 HydrophobicContact CG2-CE1 3.79Å; V112-F126 HydrophobicContact CG2-CE1 4.33Å; L124-F126 HydrophobicContact CB-CE1 4.28Å; L124-F126 HydrophobicContact CB-CE2 4.49Å; L124-F126 HydrophobicContact CB-CZ 3.91Å; F126-I130 VanDerWaalsContact CB-O 3.27Å; F126-I130 WeakPolarHBondContact CB-O 3.21Å
127	T	53.6	Low	52.8	Low	100 Å²	100	57.5 Å²	57.5	61%	0.613	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-64.3	156.6	175.9	55.1	0	0	0	0	110.2	T129 I130	T127-T129 PolarHBondContact O-N 3.43Å; T127-T129 PolarHBondContact OG1-OG1 2.73Å; T127-I130 PolarHBondContact O-N 3.12Å
128	N	48.4	Very low	51.7	Low	86 Å²	86	62.1 Å²	62.1	46%	0.46	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.2	-168.7	-77.4	-24.9	0	0	0	116.4	K131	N128-K131 VanDerWaalsContact O-CE 3.26Å; N128-K131 WeakPolarHBondContact O-CE 3.42Å; N128-K131 PolarHBondContact O-NZ 3.21Å
129	T	48	Very low	50.9	Low	122 Å²	122	62.5 Å²	62.5	75%	0.748	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-29.8	178.1	47.4	0	0	0	0	114.1	T127	T127-T129 PolarHBondContact O-N 3.43Å; T127-T129 PolarHBondContact OG1-OG1 2.73Å
130	I	48.6	Very low	50	Low	90 Å²	90	69.5 Å²	69.5	46%	0.462	37%	0.369	S	S	.	.			trans	-117.3	105.9	-175.9	-53.4	178	0	0	0	108.4	I110 F126 T127	I110-I130 HydrophobicContact CD1-CG2 3.56Å; I110-I130 HydrophobicContact CG1-CG2 3.61Å; I110-I130 HydrophobicContact CG2-CG2 4.37Å; F126-I130 VanDerWaalsContact CB-O 3.27Å; F126-I130 WeakPolarHBondContact CB-O 3.21Å; T127-I130 PolarHBondContact O-N 3.12Å
131	K	56.6	Low	49.4	Very low	34 Å²	34	74.3 Å²	74.3	15%	0.148	39%	0.385	C	S	.	.			trans	-124.1	122	179.3	-62.4	178.6	-177.8	125	0	108.4	L62 F72 T108 N128 Q133	L62-K131 HydrophobicContact CD1-CD 4.36Å; F72-K131 HydrophobicContact CB-CD 4.22Å; F72-K131 HydrophobicContact CD1-CB 3.92Å; F72-K131 HydrophobicContact CD1-CD 3.54Å; F72-K131 HydrophobicContact CD1-CG 4.33Å; F72-K131 HydrophobicContact CE1-CD 4.22Å; F72-K131 HydrophobicContact CG-CD 4.11Å; T108-K131 VanDerWaalsContact CG2-O 3.29Å; T108-K131 WeakPolarHBondContact CG2-O 3.04Å; N128-K131 VanDerWaalsContact O-CE 3.26Å; N128-K131 WeakPolarHBondContact O-CE 3.42Å; N128-K131 PolarHBondContact O-NZ 3.21Å; K131-Q133 PolarHBondContact O-N 3.16Å
132	L	54.8	Low	48.7	Very low	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.3	157.2	-82	144.3	0	0	0	106.3	W73 I76 L93 T108 I110 I145	W73-L132 HydrophobicContact CB-CB 4.02Å; W73-L132 VanDerWaalsContact CD1-CB 3.47Å; W73-L132 VanDerWaalsContact CD1-O 3.29Å; W73-L132 HydrophobicContact CG-CB 3.97Å; W73-L132 PolarHBondContact N-O 3.39Å; W73-L132 VanDerWaalsContact N-O 3.16Å; I76-L132 HydrophobicContact CD1-CD1 4.05Å; L93-L132 HydrophobicContact CB-CD1 3.75Å; L93-L132 HydrophobicContact CD1-CD1 4.47Å; T108-L132 WeakPolarHBondContact O-CD2 3.18Å; I110-L132 HydrophobicContact CD1-CD1 3.54Å; I110-L132 HydrophobicContact CD1-CG 3.7Å; I110-L132 HydrophobicContact CG1-CD1 4.04Å; I110-L132 HydrophobicContact CG1-CG 4Å; L132-I145 HydrophobicContact CD1-CD1 4.22Å
133	Q	53.2	Low	48.4	Very low	56 Å²	56	77.2 Å²	77.2	26%	0.262	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	105.1	179	-171.4	-161.9	-71.6	0	0	107.8	K70 I71 F72 D95 T108 K131	K70-Q133 HydrophobicContact CB-CG 4.23Å; K70-Q133 HydrophobicContact CD-CG 4.14Å; K70-Q133 VanDerWaalsContact CE-NE2 3.25Å; K70-Q133 HydrophobicContact CG-CG 4.18Å; I71-Q133 VanDerWaalsContact O-CA 3.29Å; I71-Q133 WeakPolarHBondContact O-CA 3.43Å; F72-Q133 HydrophobicContact CD1-CG 4.41Å; F72-Q133 HydrophobicContact CE1-CG 4.03Å; D95-Q133 VanDerWaalsContact OD2-O 3.13Å; T108-Q133 PolarHBondContact OG1-N 3.47Å; K131-Q133 PolarHBondContact O-N 3.16Å
134	S	50.4	Low	47.7	Very low	1 Å²	1	74.3 Å²	74.3	1%	0.007	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.9	173.4	-63.8	0	0	0	0	110.7	K70 I71 D95 L136	K70-S134 CarbonylContact C-O 3.54Å; K70-S134 WeakPolarHBondContact CA-O 3.48Å; I71-S134 PolarHBondContact N-O 2.71Å; I71-S134 PolarHBondContact O-N 2.95Å; D95-S134 VanDerWaalsContact CG-OG 3.26Å; D95-S134 WeakPolarHBondContact OD1-CB 3.26Å; D95-S134 PolarHBondContact OD1-OG 3.36Å; D95-S134 WeakPolarHBondContact OD2-CA 3.24Å; S134-L136 PolarHBondContact O-N 2.66Å
135	N	47.4	Very low	47.2	Very low	36 Å²	36	73.6 Å²	73.6	19%	0.193	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.2	172.6	-87.3	3.9	0	0	0	110	N69 N99	N69-N135 CarbonylContact O-C 3.41Å; N69-N135 WeakPolarHBondContact O-CA 3.37Å; N99-N135 VanDerWaalsContact CB-ND2 3.27Å; N99-N135 WeakPolarHBondContact CB-ND2 3.42Å; N99-N135 PolarHBondContact ND2-ND2 2.78Å; N99-N135 VanDerWaalsContact ND2-ND2 3.12Å
136	L	48.1	Very low	46.5	Very low	70 Å²	70	68 Å²	68	37%	0.366	35%	0.351	S	S	.	.			trans	-81.5	-22	-167.8	-143.8	163.9	0	0	0	112.5	N69 I71 S134	N69-L136 PolarHBondContact O-N 3.04Å; I71-L136 HydrophobicContact CB-CD1 4.45Å; I71-L136 HydrophobicContact CD1-CD1 3.74Å; I71-L136 HydrophobicContact CD1-CG 3.69Å; I71-L136 HydrophobicContact CG1-CB 4.15Å; I71-L136 HydrophobicContact CG1-CD1 3.14Å; I71-L136 HydrophobicContact CG1-CG 3.46Å; I71-L136 VanDerWaalsContact CG1-CG 3.46Å; S134-L136 PolarHBondContact O-N 2.66Å
137	L	39.5	Very low	45.9	Very low	82 Å²	82	67 Å²	67	43%	0.429	35%	0.346	S	S	.	.	S	Bend	trans	-135.3	6	-148.6	-82.2	172.5	0	0	0	118.9	N69	N69-L137 HydrophobicContact CB-CB 3.76Å; N69-L137 HydrophobicContact CB-CD1 4.21Å; N69-L137 HydrophobicContact CB-CG 4.44Å; N69-L137 VanDerWaalsContact CG-CB 3.45Å; N69-L137 WeakPolarHBondContact OD1-CB 3.35Å; N69-L137 WeakPolarHBondContact OD1-CD1 3.45Å
138	T	37.4	Very low	45.5	Very low	122 Å²	122	62.4 Å²	62.4	75%	0.748	32%	0.318	S	S	*	.	S	Bend	trans	-86.2	-26	173.1	36.4	0	0	0	0	114.2
139	I	37.2	Very low	45.4	Very low	142 Å²	142	59.2 Å²	59.2	73%	0.728	30%	0.301	S	S	*	.	S	Bend	trans	-138.2	100.5	174.9	-53.9	177.6	0	0	0	109	K141	I139-K141 PolarHBondContact O-N 2.87Å
140	K	36.6	Very low	45.1	Very low	191 Å²	191	54.4 Å²	54.4	83%	0.83	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	15.6	-171.3	-86.2	-171.8	176.1	-178.8	0	118.7
141	K	37.1	Very low	44.8	Very low	160 Å²	160	51.8 Å²	51.8	70%	0.696	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-34.6	-167.4	-72.4	-171.4	177.2	178.2	0	117.7	I139	I139-K141 PolarHBondContact O-N 2.87Å
142	N	37.9	Very low	44.1	Very low	53 Å²	53	57 Å²	57	28%	0.283	28%	0.281	S	S	.	.			trans	-158.6	129.1	177.2	-62.9	-66	0	0	0	110.3	N97 K161 Y162	N97-N142 PolarHBondContact ND2-O 3.44Å; N142-K161 HydrophobicContact CB-CG 4.09Å; N142-Y162 WeakPolarHBondContact CA-O 3.29Å
143	Y	44.7	Very low	43	Very low	39 Å²	39	60.3 Å²	60.3	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	157	162.3	57.6	-82.5	0	0	0	107.8	L56 I71 W73 Y162	L56-Y143 HydrophobicContact CD1-CE2 3.84Å; I71-Y143 HydrophobicContact CD1-CD1 4.28Å; I71-Y143 HydrophobicContact CD1-CD2 3.74Å; I71-Y143 HydrophobicContact CD1-CE2 4.09Å; I71-Y143 HydrophobicContact CD1-CG 3.85Å; W73-Y143 HydrophobicContact CH2-CD2 4.36Å; W73-Y143 HydrophobicContact CH2-CE2 4.24Å; W73-Y143 HydrophobicContact CZ2-CD2 4.1Å; W73-Y143 HydrophobicContact CZ2-CE2 4.37Å; Y143-Y162 VanDerWaalsContact CD2-CB 3.48Å; Y143-Y162 HydrophobicContact CD2-CD2 4.48Å; Y143-Y162 AromaticContact CD2-CG 3.99Å; Y143-Y162 HydrophobicContact CD2-CG 3.99Å; Y143-Y162 AromaticContact CE2-CD1 3.65Å; Y143-Y162 HydrophobicContact CE2-CD1 3.65Å; Y143-Y162 HydrophobicContact CE2-CD2 4.25Å; Y143-Y162 HydrophobicContact CE2-CE1 4.49Å; Y143-Y162 AromaticContact CE2-CG 3.49Å; Y143-Y162 HydrophobicContact CE2-CG 3.49Å; Y143-Y162 VanDerWaalsContact CE2-CG 3.49Å; Y143-Y162 AromaticContact CZ-CD1 3.96Å; Y143-Y162 PolarHBondContact N-O 3.47Å; Y143-Y162 CarbonylContact O-C 3.51Å; Y143-Y162 VanDerWaalsContact O-CA 3.29Å; Y143-Y162 WeakPolarHBondContact O-CA 3.41Å; Y143-Y162 WeakPolarHBondContact O-CB 3.08Å; Y143-Y162 PolarHBondContact O-N 3.16Å
144	S	43.6	Very low	42.1	Very low	2 Å²	2	63.1 Å²	63.1	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	144.5	-176.8	24.8	0	0	0	0	110.2	A96 F160	A96-S144 WeakPolarHBondContact CB-O 3.46Å; A96-S144 WeakPolarHBondContact CB-OG 3.32Å; A96-S144 PolarHBondContact N-O 3.35Å; S144-F160 WeakPolarHBondContact CA-O 3.39Å; S144-F160 WeakPolarHBondContact CB-O 3.29Å
145	I	48.2	Very low	41.4	Very low	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.5	163.4	-73.5	-179.8	0	0	0	106.2	M54 W73 I76 L93 L132 F160	M54-I145 HydrophobicContact CE-CG2 3.94Å; M54-I145 HydrophobicContact SD-CB 4.21Å; M54-I145 HydrophobicContact SD-CD1 4.44Å; M54-I145 HydrophobicContact SD-CG2 4.14Å; W73-I145 HydrophobicContact CD2-CD1 3.26Å; W73-I145 HydrophobicContact CD2-CG1 4.31Å; W73-I145 HydrophobicContact CE3-CD1 3.55Å; W73-I145 HydrophobicContact CG-CD1 3.76Å; W73-I145 HydrophobicContact CH2-CD1 3.74Å; W73-I145 HydrophobicContact CH2-CG1 4.14Å; W73-I145 HydrophobicContact CZ2-CD1 3.49Å; W73-I145 VanDerWaalsContact CZ2-CD1 3.49Å; W73-I145 HydrophobicContact CZ2-CG1 3.69Å; W73-I145 HydrophobicContact CZ3-CD1 3.74Å; I76-I145 HydrophobicContact CD1-CD1 4.02Å; L93-I145 HydrophobicContact CD2-CG2 4.38Å; L132-I145 HydrophobicContact CD1-CD1 4.22Å; I145-F160 PolarHBondContact O-N 2.71Å
146	V	45.4	Very low	40.9	Very low	20 Å²	20	71.7 Å²	71.7	12%	0.121	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123	165.1	-176.4	0	0	0	0	107.2	R94 A96 E148 R159	R94-V146 HydrophobicContact CG-CB 4.22Å; R94-V146 PolarHBondContact N-O 3.44Å; R94-V146 PolarHBondContact O-N 3.36Å; A96-V146 HydrophobicContact CB-CG2 3.56Å; V146-E148 HydrophobicContact CG1-CG 3.79Å; V146-R159 HydrophobicContact CG2-CG 4.23Å
147	C	46.9	Very low	40.3	Very low	2 Å²	2	74.1 Å²	74.1	1%	0.014	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128	170.9	-175.5	0	0	0	0	107.9	M54 I92 L93 T158 F160	M54-C147 HydrophobicContact CE-CB 3.65Å; I92-C147 WeakPolarHBondContact O-CA 3.43Å; L93-C147 HydrophobicContact CD2-CB 4.03Å; C147-T158 PolarHBondContact N-O 2.85Å; C147-T158 PolarHBondContact O-N 2.83Å; C147-T158 VanDerWaalsContact O-N 3.17Å; C147-T158 VanDerWaalsContact O-O 3.07Å; C147-F160 HydrophobicContact CB-CD2 4.08Å; C147-F160 HydrophobicContact CB-CE2 4.04Å
148	E	44.9	Very low	40.1	Very low	3 Å²	3	73.4 Å²	73.4	1%	0.014	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.9	179	-50.6	-177.8	-177.5	0	0	109	M91 I92 R94 V146 M156 M157	M91-E148 WeakPolarHBondContact CA-O 3.16Å; I92-E148 HydrophobicContact CB-CB 4.24Å; I92-E148 PolarHBondContact N-O 3.08Å; I92-E148 PolarHBondContact O-N 3.3Å; R94-E148 IonicContact CZ-OE1 2.99Å; R94-E148 IonicContact CZ-OE2 3.49Å; R94-E148 VanDerWaalsContact NE-CD 3.3Å; R94-E148 IonicContact NE-OE1 2.71Å; R94-E148 PolarHBondContact NE-OE1 2.86Å; R94-E148 IonicContact NE-OE2 3.61Å; R94-E148 IonicContact NH2-OE1 2.68Å; R94-E148 PolarHBondContact NH2-OE1 2.84Å; R94-E148 IonicContact NH2-OE2 2.66Å; R94-E148 PolarHBondContact NH2-OE2 2.9Å; V146-E148 HydrophobicContact CG1-CG 3.79Å; E148-M156 WeakPolarHBondContact CA-O 3.4Å; E148-M157 HydrophobicContact CG-CB 4.41Å; E148-M157 HydrophobicContact CG-CG 3.93Å
149	L	47.4	Very low	39.9	Very low	18 Å²	18	74.9 Å²	74.9	9%	0.094	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.4	166.4	-108.8	87.7	0	0	0	108.7	F52 L80 I84 T89 L151 M156	F52-L149 HydrophobicContact CD2-CD1 4.43Å; F52-L149 HydrophobicContact CE2-CD1 3.32Å; F52-L149 HydrophobicContact CZ-CD1 3.42Å; F52-L149 VanDerWaalsContact CZ-CD1 3.42Å; L80-L149 HydrophobicContact CD2-CD1 4Å; L80-L149 HydrophobicContact CD2-CD2 3.67Å; L80-L149 HydrophobicContact CD2-CG 4.45Å; I84-L149 HydrophobicContact CD1-CD2 3.77Å; I84-L149 HydrophobicContact CG2-CD2 4.34Å; T89-L149 HydrophobicContact CG2-CD2 3.67Å; T89-L149 HydrophobicContact CG2-CG 4.27Å; L149-L151 HydrophobicContact CD2-CD1 4.28Å; L149-M156 PolarHBondContact N-O 3.4Å; L149-M156 VanDerWaalsContact N-O 3.16Å; L149-M156 PolarHBondContact O-N 3Å
150	S	40.2	Very low	40	Very low	21 Å²	21	70.6 Å²	70.6	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113	166.7	171.2	0	0	0	0	108.5	T89 K90 I154	T89-S150 WeakPolarHBondContact CA-O 3.2Å; K90-S150 PolarHBondContact N-O 3.2Å; K90-S150 PolarHBondContact O-N 3.24Å; S150-I154 WeakPolarHBondContact CA-O 3.36Å
151	L	44.1	Very low	39.8	Very low	36 Å²	36	68.3 Å²	68.3	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.6	173.8	-89.3	152.6	0	0	0	108.5	I84 T86 T89 L149 G153 I154	I84-L151 HydrophobicContact CG2-CD2 4.49Å; T86-L151 WeakPolarHBondContact OG1-CD2 3.49Å; T89-L151 HydrophobicContact CG2-CD2 4.05Å; T89-L151 HydrophobicContact CG2-CG 4.05Å; T89-L151 VanDerWaalsContact OG1-CD2 3.29Å; T89-L151 WeakPolarHBondContact OG1-CD2 3.27Å; L149-L151 HydrophobicContact CD2-CD1 4.28Å; L151-G153 VanDerWaalsContact C-N 3.26Å; L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.14Å; L151-I154 PolarHBondContact N-O 2.82Å; L151-I154 PolarHBondContact O-N 3.34Å
152	K	40.9	Very low	39.9	Very low	143 Å²	143	62.6 Å²	62.6	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	42.1	176	-64.9	-175.4	176.1	-178.1	0	114.2	N88 I154	N88-K152 HydrophobicContact CB-CG 4.49Å; K152-I154 VanDerWaalsContact C-N 3.31Å; K152-I154 PolarHBondContact O-N 2.82Å
153	G	32.7	Very low	39.5	Very low	70 Å²	70	64.8 Å²	64.8	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-6.8	178.8	0	0	0	0	0	115.3	L151	L151-G153 VanDerWaalsContact C-N 3.26Å; L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.14Å
154	I	32.9	Very low	38.8	Very low	115 Å²	115	65.1 Å²	65.1	59%	0.59	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.7	169.7	-57.2	173.1	0	0	0	107.7	S150 L151 K152	S150-I154 WeakPolarHBondContact CA-O 3.36Å; L151-I154 PolarHBondContact N-O 2.82Å; L151-I154 PolarHBondContact O-N 3.34Å; K152-I154 VanDerWaalsContact C-N 3.31Å; K152-I154 PolarHBondContact O-N 2.82Å
155	Q	36	Very low	38.2	Very low	114 Å²	114	70.2 Å²	70.2	53%	0.533	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.7	172.2	-80.1	-179.2	-15.5	0	0	109.6
156	M	37.5	Very low	37.2	Very low	102 Å²	102	75.9 Å²	75.9	50%	0.502	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.5	165.2	-74.2	-169.5	175.4	0	0	108.8	E148 L149	E148-M156 WeakPolarHBondContact CA-O 3.4Å; L149-M156 PolarHBondContact N-O 3.4Å; L149-M156 VanDerWaalsContact N-O 3.16Å; L149-M156 PolarHBondContact O-N 3Å
157	M	34.3	Very low	36.4	Very low	121 Å²	121	82.5 Å²	82.5	60%	0.596	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.6	174.1	-67.8	-164.3	-166.7	0	0	110.1	E148	E148-M157 HydrophobicContact CG-CB 4.41Å; E148-M157 HydrophobicContact CG-CG 3.93Å
158	T	36.4	Very low	35.5	Very low	67 Å²	67	85.7 Å²	85.7	41%	0.411	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.9	166.3	-41.5	0	0	0	0	108.2	C147 F160	C147-T158 PolarHBondContact N-O 2.85Å; C147-T158 PolarHBondContact O-N 2.83Å; C147-T158 VanDerWaalsContact O-N 3.17Å; C147-T158 VanDerWaalsContact O-O 3.07Å; T158-F160 HydrophobicContact CG2-CD2 4.3Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.61Å; T158-F160 HydrophobicContact CG2-CZ 3.38Å; T158-F160 WeakPolarHBondContact O-CD2 3.47Å; T158-F160 PolarHBondContact O-N 3.27Å
159	R	33.5	Very low	34.7	Very low	154 Å²	154	88.6 Å²	88.6	58%	0.581	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	105.3	177.4	-176.7	172.8	-172.3	163.5	6.7	108.9	V146	V146-R159 HydrophobicContact CG2-CG 4.23Å
160	F	38.5	Very low	33.6	Very low	51 Å²	51	95.2 Å²	95.2	22%	0.224	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.4	175.9	-66.6	-80.4	0	0	0	110	F52 S144 I145 C147 T158	F52-F160 HydrophobicContact CB-CE1 4.33Å; F52-F160 HydrophobicContact CB-CE2 3.93Å; F52-F160 HydrophobicContact CB-CZ 3.66Å; S144-F160 WeakPolarHBondContact CA-O 3.39Å; S144-F160 WeakPolarHBondContact CB-O 3.29Å; I145-F160 PolarHBondContact O-N 2.71Å; C147-F160 HydrophobicContact CB-CD2 4.08Å; C147-F160 HydrophobicContact CB-CE2 4.04Å; T158-F160 HydrophobicContact CG2-CD2 4.3Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.61Å; T158-F160 HydrophobicContact CG2-CZ 3.38Å; T158-F160 WeakPolarHBondContact O-CD2 3.47Å; T158-F160 PolarHBondContact O-N 3.27Å
161	K	32.6	Very low	33	Very low	144 Å²	144	100.8 Å²	100.8	63%	0.626	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.6	-179.7	-138.7	177.6	-173	177.1	0	109.2	N142	N142-K161 HydrophobicContact CB-CG 4.09Å
162	Y	38.6	Very low	32	Very low	40 Å²	40	106.3 Å²	106.3	16%	0.157	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.9	174.3	-89.5	-93.8	0	0	0	110.5	M54 L56 W73 N142 Y143	M54-Y162 HydrophobicContact CB-CE2 4.22Å; M54-Y162 WeakPolarHBondContact CB-OH 3.07Å; M54-Y162 PolarHBondContact O-OH 3.45Å; L56-Y162 HydrophobicContact CD1-CD1 4.11Å; L56-Y162 HydrophobicContact CD1-CE1 3.71Å; W73-Y162 HydrophobicContact CH2-CD2 4.12Å; W73-Y162 AromaticContact CH2-CE2 3.73Å; W73-Y162 HydrophobicContact CH2-CE2 3.73Å; W73-Y162 HydrophobicContact CZ3-CE2 4.21Å; N142-Y162 WeakPolarHBondContact CA-O 3.29Å; Y143-Y162 VanDerWaalsContact CD2-CB 3.48Å; Y143-Y162 HydrophobicContact CD2-CD2 4.48Å; Y143-Y162 AromaticContact CD2-CG 3.99Å; Y143-Y162 HydrophobicContact CD2-CG 3.99Å; Y143-Y162 AromaticContact CE2-CD1 3.65Å; Y143-Y162 HydrophobicContact CE2-CD1 3.65Å; Y143-Y162 HydrophobicContact CE2-CD2 4.25Å; Y143-Y162 HydrophobicContact CE2-CE1 4.49Å; Y143-Y162 AromaticContact CE2-CG 3.49Å; Y143-Y162 HydrophobicContact CE2-CG 3.49Å; Y143-Y162 VanDerWaalsContact CE2-CG 3.49Å; Y143-Y162 AromaticContact CZ-CD1 3.96Å; Y143-Y162 PolarHBondContact N-O 3.47Å; Y143-Y162 CarbonylContact O-C 3.51Å; Y143-Y162 VanDerWaalsContact O-CA 3.29Å; Y143-Y162 WeakPolarHBondContact O-CA 3.41Å; Y143-Y162 WeakPolarHBondContact O-CB 3.08Å; Y143-Y162 PolarHBondContact O-N 3.16Å
163	Q	29.4	Very low	31.3	Very low	98 Å²	98	108.9 Å²	108.9	46%	0.458	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-88.1	152.3	168.4	-65.6	-167.4	13.3	0	0	110.4	L168	Q163-L168 HydrophobicContact CB-CD1 4.13Å
164	S	31	Very low	30.9	Very low	46 Å²	46	110.5 Å²	110.5	32%	0.322	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-64.1	140.8	175.1	71.2	0	0	0	0	110.7	T166 K167	S164-T166 PolarHBondContact O-N 2.74Å; S164-T166 PolarHBondContact OG-OG1 2.99Å; S164-K167 PolarHBondContact O-N 2.76Å
165	F	30.4	Very low	30.5	Very low	110 Å²	110	112.7 Å²	112.7	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-50	-31.8	178.4	-130.2	-92.4	0	0	0	112.8	K167 L168 F169	F165-K167 VanDerWaalsContact C-N 3.34Å; F165-K167 PolarHBondContact O-N 3.43Å; F165-L168 PolarHBondContact O-N 3.13Å; F165-F169 AromaticContact CD1-CD2 3.87Å; F165-F169 HydrophobicContact CD1-CD2 3.87Å; F165-F169 HydrophobicContact CD1-CE2 4.03Å; F165-F169 AromaticContact CE1-CD2 3.83Å; F165-F169 HydrophobicContact CE1-CD2 3.83Å; F165-F169 AromaticContact CE1-CE2 3.49Å; F165-F169 HydrophobicContact CE1-CE2 3.49Å; F165-F169 VanDerWaalsContact CE1-CE2 3.49Å; F165-F169 HydrophobicContact CE1-CZ 4.28Å; F165-F169 HydrophobicContact CZ-CE2 4.15Å; F165-F169 PolarHBondContact O-N 3Å
166	T	28.3	Very low	29.9	Very low	118 Å²	118	114.2 Å²	114.2	72%	0.724	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-19.8	178.7	41.9	0	0	0	0	115.7	S164	S164-T166 PolarHBondContact O-N 2.74Å; S164-T166 PolarHBondContact OG-OG1 2.99Å
167	K	28.8	Very low	29.2	Very low	159 Å²	159	117.4 Å²	117.4	69%	0.691	57%	0.573	S	S	*	*	H	α-helix	trans	-89.9	-22.2	172.3	-86	-169.8	170.7	-167	0	113.2	S164 F165	S164-K167 PolarHBondContact O-N 2.76Å; F165-K167 VanDerWaalsContact C-N 3.34Å; F165-K167 PolarHBondContact O-N 3.43Å
168	L	28.1	Very low	28.7	Very low	70 Å²	70	114.3 Å²	114.3	37%	0.366	56%	0.562	S	S	.	*	H	α-helix	trans	-85	-24	-178.3	-87	149.2	0	0	0	112.6	I25 Q163 F165	I25-L168 HydrophobicContact CB-CD2 3.66Å; I25-L168 HydrophobicContact CD1-CB 3.78Å; I25-L168 HydrophobicContact CD1-CD2 3.43Å; I25-L168 VanDerWaalsContact CD1-CD2 3.43Å; I25-L168 HydrophobicContact CD1-CG 4.2Å; I25-L168 HydrophobicContact CG1-CD2 4.15Å; I25-L168 HydrophobicContact CG2-CD2 3.48Å; I25-L168 VanDerWaalsContact CG2-CD2 3.48Å; Q163-L168 HydrophobicContact CB-CD1 4.13Å; F165-L168 PolarHBondContact O-N 3.13Å
169	F	27	Very low	28.1	Very low	64 Å²	64	120.5 Å²	120.5	28%	0.281	58%	0.584	S	S	.	*			trans	-120	94.7	177.5	-79.5	-97.4	0	0	0	111.6	I25 L31 F165 F171	I25-F169 HydrophobicContact CD1-CD2 4.28Å; I25-F169 HydrophobicContact CD1-CE2 3.99Å; L31-F169 HydrophobicContact CD1-CD1 4.43Å; L31-F169 HydrophobicContact CD1-CE1 3.45Å; L31-F169 VanDerWaalsContact CD1-CE1 3.45Å; L31-F169 HydrophobicContact CD1-CE2 3.57Å; L31-F169 HydrophobicContact CD1-CZ 2.97Å; L31-F169 HydrophobicContact CD2-CE1 3.91Å; L31-F169 HydrophobicContact CD2-CZ 3.7Å; L31-F169 HydrophobicContact CG-CE1 4.31Å; L31-F169 HydrophobicContact CG-CZ 3.92Å; F165-F169 AromaticContact CD1-CD2 3.87Å; F165-F169 HydrophobicContact CD1-CD2 3.87Å; F165-F169 HydrophobicContact CD1-CE2 4.03Å; F165-F169 AromaticContact CE1-CD2 3.83Å; F165-F169 HydrophobicContact CE1-CD2 3.83Å; F165-F169 AromaticContact CE1-CE2 3.49Å; F165-F169 HydrophobicContact CE1-CE2 3.49Å; F165-F169 VanDerWaalsContact CE1-CE2 3.49Å; F165-F169 HydrophobicContact CE1-CZ 4.28Å; F165-F169 HydrophobicContact CZ-CE2 4.15Å; F165-F169 PolarHBondContact O-N 3Å; F169-F171 HydrophobicContact CD1-CB 4.1Å; F169-F171 AromaticContact CD1-CD2 3.44Å; F169-F171 HydrophobicContact CD1-CD2 3.44Å; F169-F171 VanDerWaalsContact CD1-CD2 3.44Å; F169-F171 HydrophobicContact CD1-CE2 4.17Å; F169-F171 HydrophobicContact CD1-CG 4.02Å; F169-F171 HydrophobicContact CE1-CD2 4.07Å; F169-F171 HydrophobicContact CE1-CE2 4.42Å; F169-F171 HydrophobicContact CG-CD2 4.36Å; F169-F171 PolarHBondContact O-N 3.12Å
170	N	25	Very low	27.5	Very low	157 Å²	157	121 Å²	121	84%	0.84	59%	0.59	S	S	*	*			trans	-88.3	50.4	159.1	-149.3	17.7	0	0	0	109.1
171	F	27.3	Very low	26.7	Very low	137 Å²	137	125.1 Å²	125.1	60%	0.601	61%	0.614	S	S	*	*			trans	-93.7	106.5	-176.2	-100.8	-90.7	0	0	0	110.7	F169 Y173	F169-F171 HydrophobicContact CD1-CB 4.1Å; F169-F171 AromaticContact CD1-CD2 3.44Å; F169-F171 HydrophobicContact CD1-CD2 3.44Å; F169-F171 VanDerWaalsContact CD1-CD2 3.44Å; F169-F171 HydrophobicContact CD1-CE2 4.17Å; F169-F171 HydrophobicContact CD1-CG 4.02Å; F169-F171 HydrophobicContact CE1-CD2 4.07Å; F169-F171 HydrophobicContact CE1-CE2 4.42Å; F169-F171 HydrophobicContact CG-CD2 4.36Å; F169-F171 PolarHBondContact O-N 3.12Å; F171-Y173 AromaticContact CD1-CD2 3.93Å; F171-Y173 HydrophobicContact CD1-CD2 3.93Å; F171-Y173 HydrophobicContact CE1-CD2 4.36Å; F171-Y173 PolarHBondContact O-N 3Å
172	N	23.9	Very low	26.3	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	62%	0.617	S	S	*	*			trans	-65.7	27.8	171.8	-79.7	-25.1	0	0	0	114.6
173	Y	24.6	Very low	25.5	Very low	196 Å²	196	124.7 Å²	124.7	77%	0.769	63%	0.634	S	S	*	*			trans	-96.1	12.8	-172.1	-105.5	-84	0	0	0	115.8	F171	F171-Y173 AromaticContact CD1-CD2 3.93Å; F171-Y173 HydrophobicContact CD1-CD2 3.93Å; F171-Y173 HydrophobicContact CE1-CD2 4.36Å; F171-Y173 PolarHBondContact O-N 3Å
174	L	25.5	Very low	25.2	Very low	104 Å²	104	130 Å²	130	55%	0.545	65%	0.652	S	S	.	*			trans	-130.6	69.6	176.5	-74.5	165.8	0	0	0	111.5	N176 P178 F180	L174-N176 PolarHBondContact O-N 2.75Å; L174-P178 HydrophobicContact CD1-CG 4.35Å; L174-P178 HydrophobicContact CD2-CG 4.07Å; L174-F180 HydrophobicContact CD1-CE2 3.7Å; L174-F180 HydrophobicContact CD1-CZ 3.42Å; L174-F180 VanDerWaalsContact CD1-CZ 3.42Å
175	N	24	Very low	24.8	Very low	162 Å²	162	132.9 Å²	132.9	87%	0.866	66%	0.664	S	S	*	*			trans	-81.4	15.3	170.4	-105.5	-2	0	0	0	114.3
176	N	23.7	Very low	24.5	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	67%	0.665	S	S	*	*	S	Bend	trans	-124.9	98.4	165.4	-81	-19.8	0	0	0	107.8	L174 P178	L174-N176 PolarHBondContact O-N 2.75Å; N176-P178 WeakPolarHBondContact O-CD 3.24Å
177	N	22.5	Very low	24.5	Very low	170 Å²	170	129.2 Å²	129.2	91%	0.909	64%	0.641	S	S	*	*			trans	-24.6	97.6	172.4	-106.5	-14.7	0	0	0	113.2
178	P	23.6	Very low	24.4	Very low	56 Å²	56	128.2 Å²	128.2	36%	0.364	63%	0.633	S	S	.	*			trans	-87.2	128.7	150.7	10.4	12.2	0	0	0	105.1	L174 N176 F180	L174-P178 HydrophobicContact CD1-CG 4.35Å; L174-P178 HydrophobicContact CD2-CG 4.07Å; N176-P178 WeakPolarHBondContact O-CD 3.24Å; P178-F180 VanDerWaalsContact C-N 3.26Å; P178-F180 HydrophobicContact CG-CD2 4.34Å; P178-F180 HydrophobicContact CG-CE2 3.99Å; P178-F180 WeakPolarHBondContact O-CD2 3.27Å; P178-F180 PolarHBondContact O-N 3.18Å
179	K	23.2	Very low	24.3	Very low	197 Å²	197	128.1 Å²	128.1	86%	0.857	64%	0.642	S	S	*	*			trans	-56.1	100.8	162.5	-70.8	178.6	177.4	179.6	0	106.7	D181	K179-D181 PolarHBondContact O-N 3.32Å
180	F	22.5	Very low	24.3	Very low	165 Å²	165	127 Å²	127	72%	0.724	65%	0.645	S	S	*	*			trans	-70.4	69.3	169.7	-87.4	-86	0	0	0	107.7	L174 P178 S182	L174-F180 HydrophobicContact CD1-CE2 3.7Å; L174-F180 HydrophobicContact CD1-CZ 3.42Å; L174-F180 VanDerWaalsContact CD1-CZ 3.42Å; P178-F180 VanDerWaalsContact C-N 3.26Å; P178-F180 HydrophobicContact CG-CD2 4.34Å; P178-F180 HydrophobicContact CG-CE2 3.99Å; P178-F180 WeakPolarHBondContact O-CD2 3.27Å; P178-F180 PolarHBondContact O-N 3.18Å; F180-S182 PolarHBondContact O-N 3.24Å
181	D	21.5	Very low	24.4	Very low	136 Å²	136	122.4 Å²	122.4	73%	0.727	63%	0.625	S	S	*	*			trans	-66.7	126.4	154.3	-89	-34.4	0	0	0	106.9	K179	K179-D181 PolarHBondContact O-N 3.32Å
182	S	22.9	Very low	24.5	Very low	98 Å²	98	120 Å²	120	69%	0.685	62%	0.617	S	S	*	*	S	Bend	trans	-32.2	132.8	-179.3	51.7	0	0	0	0	115.7	F180	F180-S182 PolarHBondContact O-N 3.24Å
183	C	23.1	Very low	24.8	Very low	77 Å²	77	118 Å²	118	52%	0.52	61%	0.607	S	S	.	*			trans	70.1	73.6	151.7	-61.6	0	0	0	0	117.8
184	Y	21.2	Very low	25.1	Very low	209 Å²	209	115.4 Å²	115.4	82%	0.82	60%	0.602	S	S	*	*			trans	-130.2	75.6	150.6	-81.5	-85	0	0	0	110
185	N	23.9	Very low	25.3	Very low	107 Å²	107	111.7 Å²	111.7	57%	0.572	58%	0.584	S	S	*	*			trans	-121.6	87.4	154.8	-83.4	-15.8	0	0	0	106.4	I187	N185-I187 PolarHBondContact O-N 2.77Å
186	Q	24.3	Very low	25.5	Very low	109 Å²	109	108.5 Å²	108.5	51%	0.509	57%	0.567	S	S	.	*			trans	-66.8	119.4	162.7	-78.9	179.6	-35.4	0	0	106.9	R188	Q186-R188 HydrophobicContact CB-CG 3.85Å; Q186-R188 PolarHBondContact O-N 3.48Å
187	I	27.5	Very low	25.6	Very low	43 Å²	43	111 Å²	111	22%	0.221	57%	0.567	C	S	.	*			trans	-69.7	86.2	154.2	-70.2	-175	0	0	0	104.5	S22 G55 L56 N57 N185	S22-I187 VanDerWaalsContact OG-CA 3.24Å; S22-I187 WeakPolarHBondContact OG-CA 3.46Å; S22-I187 WeakPolarHBondContact OG-CB 3.46Å; S22-I187 WeakPolarHBondContact OG-CG2 2.87Å; G55-I187 VanDerWaalsContact C-CD1 3.48Å; L56-I187 VanDerWaalsContact N-CD1 3.32Å; L56-I187 WeakPolarHBondContact O-CD1 3.26Å; L56-I187 WeakPolarHBondContact O-CG1 2.93Å; N57-I187 PolarHBondContact ND2-O 2.92Å; N57-I187 PolarHBondContact OD1-N 3.48Å; N185-I187 PolarHBondContact O-N 2.77Å
188	R	26.2	Very low	25.9	Very low	138 Å²	138	114.7 Å²	114.7	52%	0.521	58%	0.575	S	S	.	*			trans	-78.4	113.9	163.3	-71.3	-168.3	-178.1	-174.7	2.6	105.2	S22 Q186 A190	S22-R188 PolarHBondContact OG-O 2.81Å; Q186-R188 HydrophobicContact CB-CG 3.85Å; Q186-R188 PolarHBondContact O-N 3.48Å; R188-A190 PolarHBondContact O-N 3.29Å
189	A	25.8	Very low	26	Very low	67 Å²	67	117.7 Å²	117.7	55%	0.554	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.2	127	171.9	0	0	0	0	0	108.4	I123	I123-A189 HydrophobicContact CD1-CB 4.32Å
190	A	27.3	Very low	26.1	Very low	42 Å²	42	113.5 Å²	113.5	35%	0.347	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-57.7	154.5	154.5	0	0	0	0	0	108.2	R188 L192	R188-A190 PolarHBondContact O-N 3.29Å; A190-L192 PolarHBondContact O-N 3.43Å
191	S	28.7	Very low	26.3	Very low	59 Å²	59	110.6 Å²	110.6	41%	0.413	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-56.4	122.5	-179.3	82.6	0	0	0	0	109	N193 E194	S191-N193 PolarHBondContact O-N 2.66Å; S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CG 3.28Å; S191-E194 PolarHBondContact OG-N 3.19Å; S191-E194 PolarHBondContact OG-OE2 3.28Å
192	L	29.4	Very low	26.6	Very low	86 Å²	86	109.1 Å²	109.1	45%	0.45	55%	0.553	S	S	.	*	H	α-helix	trans	-54.6	-29.4	-176.7	-155.5	92.2	0	0	0	111.3	A190 C195 L196	A190-L192 PolarHBondContact O-N 3.43Å; L192-C195 PolarHBondContact O-N 2.73Å; L192-L196 HydrophobicContact CD2-CD1 3.7Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 WeakPolarHBondContact O-CB 3.11Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.19Å; L192-L196 PolarHBondContact O-N 2.66Å; L192-L196 VanDerWaalsContact O-N 3.12Å
193	N	28.9	Very low	26.8	Very low	111 Å²	111	109.8 Å²	109.8	59%	0.594	55%	0.545	S	S	*	.	H	α-helix	trans	-67.2	-30.9	177.7	-71.3	-11.1	0	0	0	113.1	S191 Y197	S191-N193 PolarHBondContact O-N 2.66Å; N193-Y197 WeakPolarHBondContact O-CB 3.4Å; N193-Y197 WeakPolarHBondContact O-CD2 3.23Å; N193-Y197 PolarHBondContact O-N 3.49Å; N193-Y197 VanDerWaalsContact O-N 3.16Å
194	E	31.2	Very low	27.1	Very low	142 Å²	142	112 Å²	112	66%	0.664	55%	0.546	S	S	*	.	H	α-helix	trans	-76.7	-30.5	176.6	-79.1	167.6	144.9	0	0	113.1	S191	S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CG 3.28Å; S191-E194 PolarHBondContact OG-N 3.19Å; S191-E194 PolarHBondContact OG-OE2 3.28Å
195	C	28.9	Very low	27.5	Very low	26 Å²	26	105.1 Å²	105.1	18%	0.176	53%	0.527	C	S	.	.	H	α-helix	trans	-81.3	-21.9	173	-67.9	0	0	0	0	112.9	C35 L192	C35-C195 HydrophobicContact CB-CB 4.29Å; C35-C195 WeakPolarHBondContact CB-SG 3.27Å; C35-C195 WeakPolarHBondContact SG-CB 3.35Å; C35-C195 CovalentContact SG-SG 2.06Å; C35-C195 PolarHBondContact SG-SG 3.24Å; L192-C195 PolarHBondContact O-N 2.73Å
196	L	28.7	Very low	27.8	Very low	96 Å²	96	104.9 Å²	104.9	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-88.8	-23.9	-179.5	-74.3	171.2	0	0	0	113.4	L192	L192-L196 HydrophobicContact CD2-CD1 3.7Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 WeakPolarHBondContact O-CB 3.11Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.19Å; L192-L196 PolarHBondContact O-N 2.66Å; L192-L196 VanDerWaalsContact O-N 3.12Å
197	Y	25.6	Very low	28.1	Very low	197 Å²	197	104.6 Å²	104.6	77%	0.773	52%	0.524	S	S	*	.			trans	-100.7	81.3	175.2	-78.8	-86.8	0	0	0	110.4	N193	N193-Y197 WeakPolarHBondContact O-CB 3.4Å; N193-Y197 WeakPolarHBondContact O-CD2 3.23Å; N193-Y197 PolarHBondContact O-N 3.49Å; N193-Y197 VanDerWaalsContact O-N 3.16Å
198	K	29	Very low	28.1	Very low	248 Å²	248	110.2 Å²	110.2	100%	1.078	55%	0.552	S	S	*	*			trans	-127.4	0	156.4	-116.9	-173.7	-178	-179.2	0	108.9

Retrieved 198 of 198 residues in 66.9 ms (Link to these results)

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