A0A3Q0KT21_SCHMA Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. Participates in pre-mRNA splicing. May play a role in the assembly of the U4/U5/U6 tri-snRNP complex, one of the building blocks of the spliceosome. May act as a chaperone. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A3Q0KT21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 aa.

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(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	44.8	Very low	68.3	Low	243 Å²	243	102.5 Å²	102.5	100%	1.197	62%	0.615	S	S	*	*				0	112.5	0	-88.9	-175.8	-91.8	0	0	107.2
2	G	58.6	Low	70.1	Confident	75 Å²	75	96.3 Å²	96.3	77%	0.773	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.6	171.5	0	0	0	0	0	109.1
3	V	59.5	Low	71.6	Confident	134 Å²	134	96.6 Å²	96.6	81%	0.812	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-57.4	130.1	166.1	-176.6	0	0	0	0	106.9	L5	V3-L5 PolarHBondContact O-N 3.19Å
4	P	62.6	Low	73.2	Confident	113 Å²	113	92.1 Å²	92.1	73%	0.734	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-52.7	131.7	173.1	-22.4	31.4	0	0	0	109.1
5	L	62.7	Low	74.4	Confident	133 Å²	133	92.4 Å²	92.4	70%	0.696	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-59.1	133.8	172.1	-90.4	-179.9	0	0	0	108.6	V3 R11	V3-L5 PolarHBondContact O-N 3.19Å; L5-R11 VanDerWaalsContact CB-NH2 3.31Å
6	P	70	Confident	75.8	Confident	63 Å²	63	95.3 Å²	95.3	41%	0.409	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-50.6	146.4	177	-27.5	34	0	0	0	110.9	E10 R11	P6-E10 WeakPolarHBondContact CA-OE2 3.28Å; P6-E10 HydrophobicContact CB-CB 4.16Å; P6-E10 VanDerWaalsContact CB-OE2 3.25Å; P6-E10 WeakPolarHBondContact CB-OE2 3.21Å; P6-R11 HydrophobicContact CB-CG 4.36Å; P6-R11 PolarHBondContact O-NE 2.98Å; P6-R11 PolarHBondContact O-NH2 3.06Å
7	A	78.1	Confident	77.1	Confident	58 Å²	58	90.2 Å²	90.2	48%	0.479	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-58.1	150.3	175.6	0	0	0	0	0	109.7	A9 E10	A7-A9 PolarHBondContact O-N 2.87Å; A7-A9 VanDerWaalsContact O-N 3.17Å; A7-E10 HydrophobicContact CB-CG 4.32Å; A7-E10 PolarHBondContact N-OE2 2.6Å; A7-E10 VanDerWaalsContact N-OE2 3.12Å; A7-E10 WeakPolarHBondContact O-CB 3.43Å; A7-E10 PolarHBondContact O-N 2.76Å
8	V	77.2	Confident	78.2	Confident	41 Å²	41	86 Å²	86	25%	0.248	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-52.5	-42.5	-178.2	176.7	0	0	0	0	111.3	E10 R11 M12 V19 V153	V8-E10 VanDerWaalsContact C-N 3.26Å; V8-E10 PolarHBondContact O-N 3.06Å; V8-R11 WeakPolarHBondContact O-CB 3.44Å; V8-R11 PolarHBondContact O-N 3.45Å; V8-M12 HydrophobicContact CG1-SD 4.31Å; V8-M12 WeakPolarHBondContact O-CG 3.43Å; V8-M12 PolarHBondContact O-N 3.32Å; V8-V19 HydrophobicContact CG1-CG1 4.49Å; V8-V19 HydrophobicContact CG1-CG2 4.5Å; V8-V153 HydrophobicContact CG1-CB 4.34Å; V8-V153 HydrophobicContact CG1-CG2 3.69Å
9	A	72.8	Confident	79.3	Confident	61 Å²	61	82.3 Å²	82.3	50%	0.504	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-57.2	-33.9	177.5	0	0	0	0	0	113.9	A7 R11 M12	A7-A9 PolarHBondContact O-N 2.87Å; A7-A9 VanDerWaalsContact O-N 3.17Å; A9-R11 PolarHBondContact O-N 3.46Å; A9-M12 PolarHBondContact O-N 2.85Å
10	E	80	Confident	80.3	Confident	147 Å²	147	78.2 Å²	78.2	69%	0.687	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-73.4	-12.2	179	-62	176.2	155.3	0	0	112.6	P6 A7 V8	P6-E10 WeakPolarHBondContact CA-OE2 3.28Å; P6-E10 HydrophobicContact CB-CB 4.16Å; P6-E10 VanDerWaalsContact CB-OE2 3.25Å; P6-E10 WeakPolarHBondContact CB-OE2 3.21Å; A7-E10 HydrophobicContact CB-CG 4.32Å; A7-E10 PolarHBondContact N-OE2 2.6Å; A7-E10 VanDerWaalsContact N-OE2 3.12Å; A7-E10 WeakPolarHBondContact O-CB 3.43Å; A7-E10 PolarHBondContact O-N 2.76Å; V8-E10 VanDerWaalsContact C-N 3.26Å; V8-E10 PolarHBondContact O-N 3.06Å
11	R	84.7	Confident	81.1	Confident	60 Å²	60	75.7 Å²	75.7	23%	0.226	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-104.9	-1	177.9	-55	-179.3	-165.6	167.3	11.5	112.9	L5 P6 V8 A9 R151 V153 D154	L5-R11 VanDerWaalsContact CB-NH2 3.31Å; P6-R11 HydrophobicContact CB-CG 4.36Å; P6-R11 PolarHBondContact O-NE 2.98Å; P6-R11 PolarHBondContact O-NH2 3.06Å; V8-R11 WeakPolarHBondContact O-CB 3.44Å; V8-R11 PolarHBondContact O-N 3.45Å; A9-R11 PolarHBondContact O-N 3.46Å; R11-R151 PolarHBondContact O-NH2 3.3Å; R11-V153 HydrophobicContact CB-CB 4.35Å; R11-V153 WeakPolarHBondContact CD-O 3.11Å; R11-V153 PolarHBondContact NH1-O 2.82Å; R11-D154 IonicContact CZ-OD1 3.47Å; R11-D154 IonicContact NH1-OD1 2.7Å; R11-D154 PolarHBondContact NH1-OD1 3.27Å
12	M	90.2	Very high	83.7	Confident	27 Å²	27	64.1 Å²	64.1	13%	0.133	39%	0.388	C	S	.	.			trans	-84.4	148.2	178.9	-68.7	167.8	68.5	0	0	110.3	V8 A9 N14 N17 V19 E37 R151 V153	V8-M12 HydrophobicContact CG1-SD 4.31Å; V8-M12 WeakPolarHBondContact O-CG 3.43Å; V8-M12 PolarHBondContact O-N 3.32Å; A9-M12 PolarHBondContact O-N 2.85Å; M12-N14 WeakPolarHBondContact CE-O 3.41Å; M12-N17 HydrophobicContact CE-CB 4.29Å; M12-N17 WeakPolarHBondContact CE-O 3.47Å; M12-V19 HydrophobicContact CE-CG2 3.46Å; M12-V19 VanDerWaalsContact CE-CG2 3.46Å; M12-V19 HydrophobicContact SD-CG2 3.59Å; M12-V19 VanDerWaalsContact SD-CG2 3.59Å; M12-E37 WeakPolarHBondContact CA-OE2 3.47Å; M12-E37 HydrophobicContact CE-CG 4.33Å; M12-E37 HydrophobicContact CG-CB 4.35Å; M12-E37 HydrophobicContact CG-CG 4.36Å; M12-R151 VanDerWaalsContact C-NH2 3.31Å; M12-V153 HydrophobicContact CG-CG1 4.13Å
13	N	89.2	Confident	85.6	Confident	101 Å²	101	62.1 Å²	62.1	54%	0.54	36%	0.359	S	S	.	.	S	Bend	trans	-72.5	-39	171.2	-78.2	-24.3	0	0	0	110.3	E37 R151	N13-E37 WeakPolarHBondContact CA-OE1 3.27Å; N13-E37 WeakPolarHBondContact CB-OE1 3.23Å; N13-E37 PolarHBondContact N-OE1 2.82Å; N13-E37 PolarHBondContact N-OE2 3.12Å; N13-R151 PolarHBondContact ND2-NH1 3.12Å; N13-R151 PolarHBondContact OD1-NH1 3.24Å; N13-R151 PolarHBondContact OD1-NH2 2.93Å
14	N	93.8	Very high	87.5	Confident	34 Å²	34	55.8 Å²	55.8	18%	0.182	32%	0.321	C	S	.	.			trans	-135.1	118.5	177	-177.6	-16.8	0	0	0	109.4	M12 N16 N17 E37 D41	M12-N14 WeakPolarHBondContact CE-O 3.41Å; N14-N16 PolarHBondContact O-N 3.38Å; N14-N16 VanDerWaalsContact O-N 3.1Å; N14-N16 WeakPolarHBondContact OD1-CB 3.37Å; N14-N16 PolarHBondContact OD1-N 3.38Å; N14-N16 PolarHBondContact OD1-ND2 2.9Å; N14-N17 HydrophobicContact CB-CB 4.49Å; N14-N17 WeakPolarHBondContact O-CB 3.34Å; N14-N17 PolarHBondContact O-N 3.28Å; N14-E37 PolarHBondContact N-OE1 3.05Å; N14-D41 PolarHBondContact ND2-OD2 2.99Å
15	P	92.5	Very high	89.2	Confident	96 Å²	96	51 Å²	51	62%	0.623	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	-177.6	28.1	-36	0	0	0	114.1
16	N	95.3	Very high	90.9	Very high	138 Å²	138	46.4 Å²	46.4	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7	175.9	-56.6	-62	0	0	0	113.2	N14	N14-N16 PolarHBondContact O-N 3.38Å; N14-N16 VanDerWaalsContact O-N 3.1Å; N14-N16 WeakPolarHBondContact OD1-CB 3.37Å; N14-N16 PolarHBondContact OD1-N 3.38Å; N14-N16 PolarHBondContact OD1-ND2 2.9Å
17	N	98.1	Very high	92.2	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.053	27%	0.271	C	S	.	.	S	Bend	trans	-71.8	141.6	177	-84.7	-15.2	0	0	0	110.6	M12 N14 E37 L38 Q40 D41	M12-N17 HydrophobicContact CE-CB 4.29Å; M12-N17 WeakPolarHBondContact CE-O 3.47Å; N14-N17 HydrophobicContact CB-CB 4.49Å; N14-N17 WeakPolarHBondContact O-CB 3.34Å; N14-N17 PolarHBondContact O-N 3.28Å; N17-E37 HydrophobicContact CB-CG 3.94Å; N17-E37 PolarHBondContact ND2-OE1 3.04Å; N17-L38 WeakPolarHBondContact CB-O 3.41Å; N17-L38 PolarHBondContact ND2-O 2.8Å; N17-Q40 PolarHBondContact OD1-N 2.87Å; N17-D41 PolarHBondContact ND2-OD1 3.37Å; N17-D41 PolarHBondContact OD1-N 3.03Å; N17-D41 PolarHBondContact OD1-OD1 2.96Å; N17-D41 VanDerWaalsContact OD1-OD1 3.11Å
18	P	98.1	Very high	93.2	Very high	14 Å²	14	46.1 Å²	46.1	9%	0.091	28%	0.279	C	S	.	.			trans	-67.6	146.5	176.8	27.7	-31.8	0	0	0	110.4	L38 Q40 V47	P18-L38 HydrophobicContact CG-CB 4.15Å; P18-L38 HydrophobicContact CG-CD1 4.5Å; P18-L38 PolarHBondContact O-N 2.84Å; P18-Q40 VanDerWaalsContact CD-OE1 3.29Å; P18-Q40 HydrophobicContact CG-CB 4.21Å; P18-Q40 VanDerWaalsContact CG-OE1 3.3Å; P18-V47 HydrophobicContact CG-CG1 4.1Å
19	V	98.3	Very high	94.2	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.097	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.3	174.1	178.7	0	0	0	0	108.7	V8 M12 Q35 F36 V153 E184 M185	V8-V19 HydrophobicContact CG1-CG1 4.49Å; V8-V19 HydrophobicContact CG1-CG2 4.5Å; M12-V19 HydrophobicContact CE-CG2 3.46Å; M12-V19 VanDerWaalsContact CE-CG2 3.46Å; M12-V19 HydrophobicContact SD-CG2 3.59Å; M12-V19 VanDerWaalsContact SD-CG2 3.59Å; V19-Q35 HydrophobicContact CG1-CB 4.29Å; V19-F36 CarbonylContact C-O 3.49Å; V19-F36 VanDerWaalsContact CA-O 3.26Å; V19-F36 WeakPolarHBondContact CA-O 3.11Å; V19-V153 HydrophobicContact CG1-CG2 4.49Å; V19-E184 CarbonylContact O-C 3.58Å; V19-E184 WeakPolarHBondContact O-CA 3.46Å; V19-E184 WeakPolarHBondContact O-CG 3.43Å; V19-M185 HydrophobicContact CB-CB 4.3Å; V19-M185 HydrophobicContact CG1-CB 4.28Å; V19-M185 HydrophobicContact CG1-CG 4.2Å; V19-M185 HydrophobicContact CG1-SD 3.85Å; V19-M185 PolarHBondContact O-N 2.82Å
20	V	98.7	Very high	95.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	161	173.2	-61.6	0	0	0	0	110.6	Q35 F36 L38 F50 R51 C54 G183 E184	V20-Q35 CarbonylContact O-C 3.58Å; V20-Q35 WeakPolarHBondContact O-CA 3.3Å; V20-F36 HydrophobicContact CG2-CB 4.01Å; V20-F36 HydrophobicContact CG2-CD2 4.36Å; V20-F36 PolarHBondContact N-O 3.18Å; V20-F36 PolarHBondContact O-N 3.27Å; V20-L38 HydrophobicContact CB-CD1 4.41Å; V20-L38 HydrophobicContact CG1-CD1 3.69Å; V20-L38 HydrophobicContact CG1-CG 4.41Å; V20-L38 HydrophobicContact CG2-CD1 3.81Å; V20-L38 HydrophobicContact CG2-CD2 3.78Å; V20-L38 HydrophobicContact CG2-CG 3.89Å; V20-F50 HydrophobicContact CG2-CD1 4.38Å; V20-F50 HydrophobicContact CG2-CE1 3.87Å; V20-R51 HydrophobicContact CG1-CG 4.15Å; V20-C54 HydrophobicContact CB-CB 4.26Å; V20-C54 HydrophobicContact CG1-CB 4.16Å; V20-G183 CarbonylContact C-O 3.56Å; V20-G183 WeakPolarHBondContact CA-O 3.32Å; V20-G183 VanDerWaalsContact CB-O 3.26Å; V20-G183 WeakPolarHBondContact CB-O 3.48Å; V20-E184 HydrophobicContact CG1-CB 4.27Å; V20-E184 HydrophobicContact CG1-CG 4.41Å
21	F	98.6	Very high	96.2	Very high	26 Å²	26	49.9 Å²	49.9	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.6	179.3	71.1	-89.2	0	0	0	112.8	R33 M34 Q35 Q181 C182 G183 M185	F21-R33 HydrophobicContact CB-CG 3.92Å; F21-R33 HydrophobicContact CD2-CG 4.4Å; F21-R33 VanDerWaalsContact CE2-NH2 3.27Å; F21-M34 CarbonylContact C-O 3.5Å; F21-M34 WeakPolarHBondContact CA-O 3.32Å; F21-M34 WeakPolarHBondContact CB-O 3.24Å; F21-Q35 HydrophobicContact CB-CG 4.37Å; F21-Q181 HydrophobicContact CE2-CB 4.37Å; F21-C182 WeakPolarHBondContact O-CA 3.29Å; F21-C182 WeakPolarHBondContact O-CB 3.31Å; F21-G183 VanDerWaalsContact CD1-O 3.27Å; F21-G183 WeakPolarHBondContact CD1-O 3.33Å; F21-G183 PolarHBondContact N-O 3Å; F21-G183 PolarHBondContact O-N 3.18Å; F21-M185 HydrophobicContact CB-CG 4.4Å; F21-M185 HydrophobicContact CB-SD 4.28Å; F21-M185 HydrophobicContact CD1-CG 3.72Å; F21-M185 HydrophobicContact CG-CG 4.48Å
22	F	98.8	Very high	96.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.2	164.7	-65.5	-25.4	0	0	0	109.9	V24 R33 M34 F36 F50 Y67 F72 F132 I179 Q181 C182	F22-V24 HydrophobicContact CB-CG2 4.21Å; F22-R33 CarbonylContact O-C 3.58Å; F22-R33 VanDerWaalsContact O-CA 3.3Å; F22-R33 WeakPolarHBondContact O-CA 3.23Å; F22-M34 HydrophobicContact CB-CE 4.45Å; F22-M34 HydrophobicContact CD2-CE 4.42Å; F22-M34 PolarHBondContact N-O 3.21Å; F22-M34 PolarHBondContact O-N 2.84Å; F22-F36 HydrophobicContact CB-CE2 4.17Å; F22-F36 HydrophobicContact CD2-CD2 4.44Å; F22-F36 AromaticContact CD2-CE2 3.46Å; F22-F36 HydrophobicContact CD2-CE2 3.46Å; F22-F36 VanDerWaalsContact CD2-CE2 3.46Å; F22-F36 AromaticContact CD2-CZ 3.81Å; F22-F36 HydrophobicContact CD2-CZ 3.81Å; F22-F36 HydrophobicContact CE2-CE2 4.01Å; F22-F36 HydrophobicContact CE2-CZ 4.28Å; F22-F36 AromaticContact CG-CE2 3.87Å; F22-F36 HydrophobicContact CG-CE2 3.87Å; F22-F50 HydrophobicContact CE1-CZ 4.39Å; F22-F50 AromaticContact CE2-CZ 3.91Å; F22-F50 HydrophobicContact CE2-CZ 3.91Å; F22-F50 HydrophobicContact CZ-CE1 4.06Å; F22-F50 HydrophobicContact CZ-CE2 4.23Å; F22-F50 AromaticContact CZ-CZ 3.41Å; F22-F50 HydrophobicContact CZ-CZ 3.41Å; F22-F50 VanDerWaalsContact CZ-CZ 3.41Å; F22-Y67 AromaticContact CE1-CD2 3.95Å; F22-Y67 HydrophobicContact CE1-CD2 3.95Å; F22-Y67 HydrophobicContact CE1-CG 4.4Å; F22-Y67 AromaticContact CZ-CD2 3.83Å; F22-Y67 HydrophobicContact CZ-CD2 3.83Å; F22-Y67 HydrophobicContact CZ-CE2 4.4Å; F22-Y67 HydrophobicContact CZ-CG 4.29Å; F22-F72 HydrophobicContact CD2-CZ 4.35Å; F22-F132 HydrophobicContact CD2-CZ 4.48Å; F22-F132 HydrophobicContact CE2-CE1 4.28Å; F22-F132 AromaticContact CE2-CE2 3.83Å; F22-F132 HydrophobicContact CE2-CE2 3.83Å; F22-F132 AromaticContact CE2-CZ 3.45Å; F22-F132 HydrophobicContact CE2-CZ 3.45Å; F22-F132 VanDerWaalsContact CE2-CZ 3.45Å; F22-F132 HydrophobicContact CZ-CE1 4.28Å; F22-F132 AromaticContact CZ-CZ 3.89Å; F22-F132 HydrophobicContact CZ-CZ 3.89Å; F22-I179 HydrophobicContact CB-CG2 4.15Å; F22-I179 HydrophobicContact CD1-CD1 4.2Å; F22-I179 HydrophobicContact CD1-CG2 3.74Å; F22-I179 HydrophobicContact CD2-CD1 3.91Å; F22-I179 HydrophobicContact CD2-CG1 4.33Å; F22-I179 HydrophobicContact CE1-CD1 4.14Å; F22-I179 HydrophobicContact CE1-CG2 4.35Å; F22-I179 HydrophobicContact CE2-CD1 3.86Å; F22-I179 HydrophobicContact CG-CD1 4.1Å; F22-I179 HydrophobicContact CG-CG1 4.24Å; F22-I179 HydrophobicContact CG-CG2 4.03Å; F22-I179 HydrophobicContact CZ-CD1 3.96Å; F22-Q181 WeakPolarHBondContact CA-O 3.32Å; F22-C182 HydrophobicContact CD1-CB 3.49Å; F22-C182 VanDerWaalsContact CD1-CB 3.49Å; F22-C182 HydrophobicContact CE1-CB 3.75Å
23	D	98.8	Very high	97.3	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.7	160.7	-63.6	-38.4	0	0	0	108.3	R33 I179 S180 Q181	D23-R33 VanDerWaalsContact OD1-CB 3.3Å; D23-R33 WeakPolarHBondContact OD1-CB 3.34Å; D23-R33 WeakPolarHBondContact OD1-CG 3.49Å; D23-R33 IonicContact OD1-CZ 2.8Å; D23-R33 IonicContact OD1-NE 3.88Å; D23-R33 PolarHBondContact OD1-NE 3.41Å; D23-R33 IonicContact OD1-NH2 3.25Å; D23-R33 PolarHBondContact OD1-NH2 2.99Å; D23-R33 IonicContact OD2-CZ 2.86Å; D23-R33 IonicContact OD2-NE 2.82Å; D23-R33 IonicContact OD2-NH2 2.76Å; D23-R33 PolarHBondContact OD2-NH2 3.21Å; D23-I179 CarbonylContact O-C 3.55Å; D23-I179 WeakPolarHBondContact O-CA 3.4Å; D23-S180 PolarHBondContact O-N 3.29Å; D23-S180 PolarHBondContact O-OG 2.83Å; D23-Q181 HydrophobicContact CB-CB 4Å; D23-Q181 PolarHBondContact N-O 3.24Å; D23-Q181 WeakPolarHBondContact OD2-CB 3.37Å
24	V	98.9	Very high	97.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.3	-171.3	-174.7	0	0	0	0	111.2	F22 I31 G32 M34 F72 V158 I162 V177 L178	F22-V24 HydrophobicContact CB-CG2 4.21Å; V24-I31 HydrophobicContact CB-CD1 4.17Å; V24-I31 HydrophobicContact CB-CG1 3.95Å; V24-I31 HydrophobicContact CG1-CD1 3.91Å; V24-I31 HydrophobicContact CG1-CG1 4.01Å; V24-I31 VanDerWaalsContact O-CG1 3.25Å; V24-I31 WeakPolarHBondContact O-CG1 3.43Å; V24-I31 PolarHBondContact O-N 3.08Å; V24-G32 PolarHBondContact N-O 2.8Å; V24-M34 HydrophobicContact CG2-CE 3.69Å; V24-F72 HydrophobicContact CG1-CE2 4.39Å; V24-F72 HydrophobicContact CG2-CE2 4.29Å; V24-V158 HydrophobicContact CB-CG1 4.1Å; V24-V158 HydrophobicContact CG2-CG1 4.19Å; V24-I162 HydrophobicContact CB-CD1 4.45Å; V24-I162 HydrophobicContact CG1-CD1 3.86Å; V24-I162 HydrophobicContact CG1-CG1 4.18Å; V24-I162 HydrophobicContact CG2-CD1 4.23Å; V24-V177 HydrophobicContact CG1-CG1 3.81Å; V24-L178 WeakPolarHBondContact CA-O 3.1Å
25	T	98.8	Very high	97.9	Very high	13 Å²	13	46 Å²	46	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.3	169.2	60.9	0	0	0	0	111.4	Q29 E30 V177 L178	T25-Q29 CarbonylContact C-O 3.06Å; T25-Q29 WeakPolarHBondContact CA-O 3.43Å; T25-Q29 WeakPolarHBondContact CB-O 3.44Å; T25-E30 HydrophobicContact CG2-CG 3.94Å; T25-V177 CarbonylContact O-C 3.35Å; T25-V177 VanDerWaalsContact O-CA 3.3Å; T25-V177 WeakPolarHBondContact O-CA 3.25Å; T25-L178 PolarHBondContact N-O 3.27Å; T25-L178 PolarHBondContact O-N 2.79Å; T25-L178 PolarHBondContact OG1-O 3.25Å
26	I	98.5	Very high	98.2	Very high	36 Å²	36	41.4 Å²	41.4	19%	0.185	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.6	166.8	-64	179.5	0	0	0	107.5	G28 Q29 I31 K161 V165 V175 P176 V177	I26-G28 PolarHBondContact O-N 2.92Å; I26-Q29 PolarHBondContact N-O 2.98Å; I26-Q29 PolarHBondContact O-N 2.86Å; I26-I31 HydrophobicContact CB-CG2 4.06Å; I26-I31 HydrophobicContact CD1-CD1 3.64Å; I26-I31 HydrophobicContact CD1-CG1 4.45Å; I26-I31 HydrophobicContact CD1-CG2 4.06Å; I26-I31 HydrophobicContact CG1-CD1 3.82Å; I26-I31 HydrophobicContact CG1-CG1 4.26Å; I26-I31 HydrophobicContact CG1-CG2 3.96Å; I26-K161 HydrophobicContact CD1-CB 4.49Å; I26-V165 HydrophobicContact CD1-CG2 3.53Å; I26-V165 HydrophobicContact CG1-CG2 4.27Å; I26-V165 HydrophobicContact CG2-CG2 4.2Å; I26-V175 HydrophobicContact CG2-CG2 3.65Å; I26-P176 CarbonylContact C-O 3.5Å; I26-P176 WeakPolarHBondContact CA-O 3.41Å; I26-V177 HydrophobicContact CG1-CG1 4.21Å; I26-V177 HydrophobicContact CG1-CG2 4.25Å
27	G	97.7	Very high	98.4	Very high	52 Å²	52	34.9 Å²	34.9	54%	0.536	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.4	-178.1	0	0	0	0	0	113.4	Q29 P176	G27-Q29 VanDerWaalsContact C-N 3.32Å; G27-P176 PolarHBondContact N-O 3.47Å
28	G	97.4	Very high	98.4	Very high	63 Å²	63	34.4 Å²	34.4	65%	0.649	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-6.5	-176	0	0	0	0	0	115.2	I26	I26-G28 PolarHBondContact O-N 2.92Å
29	Q	98.3	Very high	98.4	Very high	146 Å²	146	33.9 Å²	33.9	68%	0.682	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.1	175.1	-175.8	177.8	8.9	0	0	110.7	T25 I26 G27 I31	T25-Q29 CarbonylContact C-O 3.06Å; T25-Q29 WeakPolarHBondContact CA-O 3.43Å; T25-Q29 WeakPolarHBondContact CB-O 3.44Å; I26-Q29 PolarHBondContact N-O 2.98Å; I26-Q29 PolarHBondContact O-N 2.86Å; G27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-I31 PolarHBondContact O-N 3.44Å
30	E	98.3	Very high	98.4	Very high	155 Å²	155	37.2 Å²	37.2	72%	0.724	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	129.3	172.2	-67.6	-178.8	175.9	0	0	111.3	T25	T25-E30 HydrophobicContact CG2-CG 3.94Å
31	I	98.3	Very high	98.4	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.138	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-12.2	-178.4	60.4	151.4	0	0	0	114	V24 I26 Q29 V158 K161 I162	V24-I31 HydrophobicContact CB-CD1 4.17Å; V24-I31 HydrophobicContact CB-CG1 3.95Å; V24-I31 HydrophobicContact CG1-CD1 3.91Å; V24-I31 HydrophobicContact CG1-CG1 4.01Å; V24-I31 VanDerWaalsContact O-CG1 3.25Å; V24-I31 WeakPolarHBondContact O-CG1 3.43Å; V24-I31 PolarHBondContact O-N 3.08Å; I26-I31 HydrophobicContact CB-CG2 4.06Å; I26-I31 HydrophobicContact CD1-CD1 3.64Å; I26-I31 HydrophobicContact CD1-CG1 4.45Å; I26-I31 HydrophobicContact CD1-CG2 4.06Å; I26-I31 HydrophobicContact CG1-CD1 3.82Å; I26-I31 HydrophobicContact CG1-CG1 4.26Å; I26-I31 HydrophobicContact CG1-CG2 3.96Å; Q29-I31 PolarHBondContact O-N 3.44Å; I31-V158 HydrophobicContact CD1-CG1 3.59Å; I31-V158 HydrophobicContact CG1-CG1 4.02Å; I31-K161 HydrophobicContact CB-CD 4.16Å; I31-K161 HydrophobicContact CD1-CB 4.11Å; I31-K161 HydrophobicContact CD1-CD 4.41Å; I31-K161 PolarHBondContact O-NZ 2.91Å; I31-K161 VanDerWaalsContact O-NZ 3.08Å; I31-I162 HydrophobicContact CD1-CD1 4.48Å; I31-I162 HydrophobicContact CD1-CG1 3.85Å
32	G	98.4	Very high	98.4	Very high	31 Å²	31	42.3 Å²	42.3	32%	0.32	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-174.8	175.3	0	0	0	0	0	113.7	V24	V24-G32 PolarHBondContact N-O 2.8Å
33	R	98.5	Very high	98.4	Very high	90 Å²	90	42.3 Å²	42.3	34%	0.34	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.9	178.3	-178.6	169.7	-73	-161.6	-3.8	111.1	F21 F22 D23 Q35 G155	F21-R33 HydrophobicContact CB-CG 3.92Å; F21-R33 HydrophobicContact CD2-CG 4.4Å; F21-R33 VanDerWaalsContact CE2-NH2 3.27Å; F22-R33 CarbonylContact O-C 3.58Å; F22-R33 VanDerWaalsContact O-CA 3.3Å; F22-R33 WeakPolarHBondContact O-CA 3.23Å; D23-R33 VanDerWaalsContact OD1-CB 3.3Å; D23-R33 WeakPolarHBondContact OD1-CB 3.34Å; D23-R33 WeakPolarHBondContact OD1-CG 3.49Å; D23-R33 IonicContact OD1-CZ 2.8Å; D23-R33 IonicContact OD1-NE 3.88Å; D23-R33 PolarHBondContact OD1-NE 3.41Å; D23-R33 IonicContact OD1-NH2 3.25Å; D23-R33 PolarHBondContact OD1-NH2 2.99Å; D23-R33 IonicContact OD2-CZ 2.86Å; D23-R33 IonicContact OD2-NE 2.82Å; D23-R33 IonicContact OD2-NH2 2.76Å; D23-R33 PolarHBondContact OD2-NH2 3.21Å; R33-Q35 HydrophobicContact CG-CG 4.1Å; R33-G155 VanDerWaalsContact O-CA 3.31Å; R33-G155 WeakPolarHBondContact O-CA 3Å
34	M	98.4	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136	160.8	-65.2	-177.1	-64.5	0	0	109	F21 F22 V24 F36 F72 I134 I152 D154 V158 L159 I162	F21-M34 CarbonylContact C-O 3.5Å; F21-M34 WeakPolarHBondContact CA-O 3.32Å; F21-M34 WeakPolarHBondContact CB-O 3.24Å; F22-M34 HydrophobicContact CB-CE 4.45Å; F22-M34 HydrophobicContact CD2-CE 4.42Å; F22-M34 PolarHBondContact N-O 3.21Å; F22-M34 PolarHBondContact O-N 2.84Å; V24-M34 HydrophobicContact CG2-CE 3.69Å; M34-F36 HydrophobicContact CB-CE2 3.58Å; M34-F36 HydrophobicContact CB-CZ 3.56Å; M34-F36 HydrophobicContact CE-CZ 3.98Å; M34-F36 HydrophobicContact CG-CZ 4.43Å; M34-F36 HydrophobicContact SD-CZ 4.16Å; M34-F72 HydrophobicContact CE-CE2 4.44Å; M34-F72 HydrophobicContact CE-CZ 3.94Å; M34-I134 HydrophobicContact CE-CD1 4.08Å; M34-I134 HydrophobicContact SD-CD1 4.34Å; M34-I152 HydrophobicContact CG-CD1 4.41Å; M34-I152 HydrophobicContact SD-CD1 3.9Å; M34-D154 WeakPolarHBondContact CA-O 3.48Å; M34-V158 HydrophobicContact CG-CB 3.68Å; M34-V158 HydrophobicContact CG-CG1 3.76Å; M34-V158 HydrophobicContact SD-CB 4.35Å; M34-V158 HydrophobicContact SD-CG1 4.21Å; M34-L159 HydrophobicContact SD-CB 3.99Å; M34-I162 HydrophobicContact CE-CD1 3.7Å; M34-I162 HydrophobicContact SD-CD1 4.1Å
35	Q	98.2	Very high	98.4	Very high	20 Å²	20	50.1 Å²	50.1	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.3	174.6	-58.7	180	14.2	0	0	109.1	V19 V20 F21 R33 I152 V153 D154 M185	V19-Q35 HydrophobicContact CG1-CB 4.29Å; V20-Q35 CarbonylContact O-C 3.58Å; V20-Q35 WeakPolarHBondContact O-CA 3.3Å; F21-Q35 HydrophobicContact CB-CG 4.37Å; R33-Q35 HydrophobicContact CG-CG 4.1Å; Q35-I152 CarbonylContact O-C 3.56Å; Q35-I152 WeakPolarHBondContact O-CA 3.4Å; Q35-V153 HydrophobicContact CB-CG2 3.96Å; Q35-V153 WeakPolarHBondContact O-CG2 3.45Å; Q35-V153 PolarHBondContact O-N 2.94Å; Q35-D154 HydrophobicContact CB-CB 4.12Å; Q35-D154 HydrophobicContact CG-CB 4.25Å; Q35-D154 PolarHBondContact N-O 3.23Å; Q35-D154 PolarHBondContact O-N 3.2Å; Q35-M185 HydrophobicContact CB-SD 4.34Å; Q35-M185 HydrophobicContact CG-SD 3.7Å
36	F	98.6	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.4	-174.3	-53.5	-93	0	0	0	109.9	V19 V20 F22 M34 L38 L118 I134 R151 I152	V19-F36 CarbonylContact C-O 3.49Å; V19-F36 VanDerWaalsContact CA-O 3.26Å; V19-F36 WeakPolarHBondContact CA-O 3.11Å; V20-F36 HydrophobicContact CG2-CB 4.01Å; V20-F36 HydrophobicContact CG2-CD2 4.36Å; V20-F36 PolarHBondContact N-O 3.18Å; V20-F36 PolarHBondContact O-N 3.27Å; F22-F36 HydrophobicContact CB-CE2 4.17Å; F22-F36 HydrophobicContact CD2-CD2 4.44Å; F22-F36 AromaticContact CD2-CE2 3.46Å; F22-F36 HydrophobicContact CD2-CE2 3.46Å; F22-F36 VanDerWaalsContact CD2-CE2 3.46Å; F22-F36 AromaticContact CD2-CZ 3.81Å; F22-F36 HydrophobicContact CD2-CZ 3.81Å; F22-F36 HydrophobicContact CE2-CE2 4.01Å; F22-F36 HydrophobicContact CE2-CZ 4.28Å; F22-F36 AromaticContact CG-CE2 3.87Å; F22-F36 HydrophobicContact CG-CE2 3.87Å; M34-F36 HydrophobicContact CB-CE2 3.58Å; M34-F36 HydrophobicContact CB-CZ 3.56Å; M34-F36 HydrophobicContact CE-CZ 3.98Å; M34-F36 HydrophobicContact CG-CZ 4.43Å; M34-F36 HydrophobicContact SD-CZ 4.16Å; F36-L38 HydrophobicContact CB-CD2 4.23Å; F36-L118 HydrophobicContact CB-CD2 4.27Å; F36-L118 HydrophobicContact CD1-CB 4.39Å; F36-L118 HydrophobicContact CD1-CD2 4Å; F36-L118 HydrophobicContact CE1-CD1 4.47Å; F36-L118 HydrophobicContact CG-CD2 4.24Å; F36-I134 HydrophobicContact CE1-CD1 3.62Å; F36-I134 HydrophobicContact CE1-CG1 4.04Å; F36-I134 HydrophobicContact CZ-CD1 3.65Å; F36-R151 CarbonylContact C-O 3.58Å; F36-R151 WeakPolarHBondContact CA-O 3.41Å; F36-I152 HydrophobicContact CD1-CD1 4.48Å; F36-I152 HydrophobicContact CD1-CG1 3.51Å; F36-I152 HydrophobicContact CE1-CD1 3.74Å; F36-I152 HydrophobicContact CE1-CG1 3.24Å; F36-I152 HydrophobicContact CG-CG1 4.5Å; F36-I152 HydrophobicContact CZ-CD1 4.26Å; F36-I152 HydrophobicContact CZ-CG1 4.05Å
37	E	98.4	Very high	98.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.2	159.2	175.5	-174.8	-168.4	0	0	108	M12 N13 N14 N17 F39 G150 R151 V153	M12-E37 WeakPolarHBondContact CA-OE2 3.47Å; M12-E37 HydrophobicContact CE-CG 4.33Å; M12-E37 HydrophobicContact CG-CB 4.35Å; M12-E37 HydrophobicContact CG-CG 4.36Å; N13-E37 WeakPolarHBondContact CA-OE1 3.27Å; N13-E37 WeakPolarHBondContact CB-OE1 3.23Å; N13-E37 PolarHBondContact N-OE1 2.82Å; N13-E37 PolarHBondContact N-OE2 3.12Å; N14-E37 PolarHBondContact N-OE1 3.05Å; N17-E37 HydrophobicContact CB-CG 3.94Å; N17-E37 PolarHBondContact ND2-OE1 3.04Å; E37-F39 HydrophobicContact CG-CD1 4.21Å; E37-F39 HydrophobicContact CG-CE1 4.14Å; E37-G150 CarbonylContact O-C 3.58Å; E37-G150 WeakPolarHBondContact O-CA 3.5Å; E37-R151 HydrophobicContact CB-CG 4.35Å; E37-R151 PolarHBondContact N-O 3.09Å; E37-R151 PolarHBondContact O-N 2.87Å; E37-R151 IonicContact OE2-CZ 3.7Å; E37-R151 IonicContact OE2-NE 3.23Å; E37-R151 PolarHBondContact OE2-NE 3.22Å; E37-R151 IonicContact OE2-NH2 3.62Å; E37-R151 PolarHBondContact OE2-NH2 3.43Å; E37-V153 HydrophobicContact CB-CG1 3.63Å
38	L	98.7	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.1	173.8	-51.3	-177.1	0	0	0	109.8	N17 P18 V20 F36 Q40 V47 F50 R51 L118 F149	N17-L38 WeakPolarHBondContact CB-O 3.41Å; N17-L38 PolarHBondContact ND2-O 2.8Å; P18-L38 HydrophobicContact CG-CB 4.15Å; P18-L38 HydrophobicContact CG-CD1 4.5Å; P18-L38 PolarHBondContact O-N 2.84Å; V20-L38 HydrophobicContact CB-CD1 4.41Å; V20-L38 HydrophobicContact CG1-CD1 3.69Å; V20-L38 HydrophobicContact CG1-CG 4.41Å; V20-L38 HydrophobicContact CG2-CD1 3.81Å; V20-L38 HydrophobicContact CG2-CD2 3.78Å; V20-L38 HydrophobicContact CG2-CG 3.89Å; F36-L38 HydrophobicContact CB-CD2 4.23Å; L38-Q40 PolarHBondContact O-N 2.96Å; L38-V47 HydrophobicContact CB-CB 4.31Å; L38-V47 HydrophobicContact CB-CG1 3.58Å; L38-V47 HydrophobicContact CB-CG2 3.82Å; L38-V47 HydrophobicContact CD1-CG1 3.87Å; L38-V47 HydrophobicContact CG-CG1 4.39Å; L38-F50 HydrophobicContact CD1-CD1 4.1Å; L38-F50 HydrophobicContact CD2-CD1 3.99Å; L38-F50 HydrophobicContact CD2-CE1 4.14Å; L38-R51 HydrophobicContact CD1-CB 4.04Å; L38-R51 HydrophobicContact CD1-CG 4.34Å; L38-L118 HydrophobicContact CD2-CD2 3.81Å; L38-F149 CarbonylContact C-O 3.59Å; L38-F149 WeakPolarHBondContact CA-O 3.41Å; L38-F149 HydrophobicContact CD2-CD2 4.3Å; L38-F149 HydrophobicContact CD2-CE2 4.27Å
39	F	98.5	Very high	98.5	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	22%	0.221	C	C	.	.			trans	-76.7	61.7	-173.8	-54.3	-37	0	0	0	112.6	E37 D41 I42 V43 V110 M117 V148 F149 G150 R151	E37-F39 HydrophobicContact CG-CD1 4.21Å; E37-F39 HydrophobicContact CG-CE1 4.14Å; F39-D41 PolarHBondContact O-N 3.15Å; F39-I42 HydrophobicContact CB-CB 4.22Å; F39-I42 HydrophobicContact CB-CD1 4.09Å; F39-I42 HydrophobicContact CB-CG1 4.29Å; F39-I42 HydrophobicContact CG-CD1 4.38Å; F39-I42 PolarHBondContact O-N 3.12Å; F39-V43 HydrophobicContact CB-CG2 4.5Å; F39-V43 PolarHBondContact O-N 2.99Å; F39-V110 HydrophobicContact CD2-CG1 4.41Å; F39-V110 HydrophobicContact CD2-CG2 4.19Å; F39-V110 HydrophobicContact CE2-CG1 3.98Å; F39-M117 HydrophobicContact CE2-CE 3.97Å; F39-M117 HydrophobicContact CZ-CE 4.28Å; F39-V148 HydrophobicContact CE2-CG1 4.12Å; F39-F149 PolarHBondContact N-O 2.95Å; F39-G150 VanDerWaalsContact CE2-C 3.47Å; F39-G150 VanDerWaalsContact CE2-CA 3.49Å; F39-G150 WeakPolarHBondContact CE2-O 3.47Å; F39-R151 HydrophobicContact CE1-CG 3.94Å; F39-R151 HydrophobicContact CZ-CB 3.86Å; F39-R151 HydrophobicContact CZ-CG 3.72Å
40	Q	98.5	Very high	98.5	Very high	86 Å²	86	37.9 Å²	37.9	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.8	-177.1	-176.2	178.3	-48.4	0	0	111.7	N17 P18 L38 I42 P44 V47	N17-Q40 PolarHBondContact OD1-N 2.87Å; P18-Q40 VanDerWaalsContact CD-OE1 3.29Å; P18-Q40 HydrophobicContact CG-CB 4.21Å; P18-Q40 VanDerWaalsContact CG-OE1 3.3Å; L38-Q40 PolarHBondContact O-N 2.96Å; Q40-I42 PolarHBondContact O-N 2.8Å; Q40-P44 HydrophobicContact CG-CB 4.31Å; Q40-P44 WeakPolarHBondContact O-CA 3.44Å; Q40-P44 WeakPolarHBondContact O-CB 3.33Å; Q40-P44 VanDerWaalsContact O-CD 3.32Å; Q40-P44 WeakPolarHBondContact O-CD 3.32Å; Q40-V47 HydrophobicContact CB-CB 4.5Å; Q40-V47 HydrophobicContact CB-CG1 4.02Å; Q40-V47 HydrophobicContact CG-CG1 4.44Å
41	D	98.3	Very high	98.6	Very high	87 Å²	87	31.7 Å²	31.7	47%	0.465	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.7	174.9	59.4	-26.6	0	0	0	114.5	N14 N17 F39	N14-D41 PolarHBondContact ND2-OD2 2.99Å; N17-D41 PolarHBondContact ND2-OD1 3.37Å; N17-D41 PolarHBondContact OD1-N 3.03Å; N17-D41 PolarHBondContact OD1-OD1 2.96Å; N17-D41 VanDerWaalsContact OD1-OD1 3.11Å; F39-D41 PolarHBondContact O-N 3.15Å
42	I	98.5	Very high	98.6	Very high	47 Å²	47	32.2 Å²	32.2	24%	0.241	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-43.9	-177	-52	175.2	0	0	0	111.8	F39 Q40 N107 E109 V110	F39-I42 HydrophobicContact CB-CB 4.22Å; F39-I42 HydrophobicContact CB-CD1 4.09Å; F39-I42 HydrophobicContact CB-CG1 4.29Å; F39-I42 HydrophobicContact CG-CD1 4.38Å; F39-I42 PolarHBondContact O-N 3.12Å; Q40-I42 PolarHBondContact O-N 2.8Å; I42-N107 PolarHBondContact O-ND2 3.32Å; I42-E109 HydrophobicContact CG2-CB 4.28Å; I42-V110 HydrophobicContact CD1-CG2 3.6Å; I42-V110 HydrophobicContact CG2-CG2 4.21Å
43	V	98.7	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.			trans	-135.1	64	-176.6	-73	0	0	0	0	111.6	F39 K45 T46 V47 E106 N107 V147 F149	F39-V43 HydrophobicContact CB-CG2 4.5Å; F39-V43 PolarHBondContact O-N 2.99Å; V43-K45 VanDerWaalsContact C-N 3.3Å; V43-K45 PolarHBondContact O-N 3.25Å; V43-T46 PolarHBondContact O-N 2.99Å; V43-V47 HydrophobicContact CG2-CG2 4.27Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 WeakPolarHBondContact O-CG2 3.47Å; V43-V47 PolarHBondContact O-N 3.3Å; V43-E106 VanDerWaalsContact C-CD 3.48Å; V43-E106 VanDerWaalsContact CA-CD 3.44Å; V43-E106 VanDerWaalsContact CA-OE2 3.25Å; V43-E106 WeakPolarHBondContact CA-OE2 3.44Å; V43-E106 HydrophobicContact CB-CB 4.35Å; V43-E106 HydrophobicContact CB-CG 4.27Å; V43-E106 WeakPolarHBondContact CB-OE2 3.33Å; V43-E106 HydrophobicContact CG1-CB 3.97Å; V43-E106 HydrophobicContact CG1-CG 4.04Å; V43-N107 WeakPolarHBondContact CG1-ND2 3.25Å; V43-V147 HydrophobicContact CB-CG1 4.37Å; V43-V147 HydrophobicContact CG1-CG1 3.91Å; V43-V147 HydrophobicContact CG2-CG1 4.42Å; V43-F149 HydrophobicContact CG2-CB 3.61Å
44	P	98.6	Very high	98.6	Very high	60 Å²	60	26.7 Å²	26.7	39%	0.39	13%	0.131	S	C	.	.	H	α-helix	trans	-58.5	-34.4	-172.8	21.3	-33.2	0	0	0	114.2	Q40 E48 E106	Q40-P44 HydrophobicContact CG-CB 4.31Å; Q40-P44 WeakPolarHBondContact O-CA 3.44Å; Q40-P44 WeakPolarHBondContact O-CB 3.33Å; Q40-P44 VanDerWaalsContact O-CD 3.32Å; Q40-P44 WeakPolarHBondContact O-CD 3.32Å; P44-E48 VanDerWaalsContact O-CB 3.3Å; P44-E48 WeakPolarHBondContact O-CB 3.41Å; P44-E48 PolarHBondContact O-N 2.96Å; P44-E106 WeakPolarHBondContact CD-OE1 3.49Å; P44-E106 WeakPolarHBondContact CG-OE1 3.24Å
45	K	98.6	Very high	98.6	Very high	137 Å²	137	28.8 Å²	28.8	60%	0.596	14%	0.144	S	C	*	.	H	α-helix	trans	-71.8	-44.4	178.9	-64.2	178.4	-179.3	175.4	0	111.1	V43 V47 E48 N49 Y98 E106	V43-K45 VanDerWaalsContact C-N 3.3Å; V43-K45 PolarHBondContact O-N 3.25Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 2.9Å; K45-E48 PolarHBondContact O-N 2.79Å; K45-N49 PolarHBondContact O-N 2.94Å; K45-Y98 VanDerWaalsContact CA-OH 3.23Å; K45-Y98 WeakPolarHBondContact CA-OH 3.24Å; K45-Y98 HydrophobicContact CB-CE2 4.38Å; K45-Y98 WeakPolarHBondContact CB-OH 3.35Å; K45-Y98 PolarHBondContact O-OH 3.47Å; K45-E106 WeakPolarHBondContact CB-OE2 3.35Å; K45-E106 PolarHBondContact N-OE1 3.06Å; K45-E106 VanDerWaalsContact N-OE1 3.12Å; K45-E106 PolarHBondContact N-OE2 3.39Å; K45-E106 VanDerWaalsContact N-OE2 3.09Å
46	T	98.8	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-43.3	178.1	-50.6	0	0	0	0	110.6	V43 F50 F103 E106 M120 V147 F149	V43-T46 PolarHBondContact O-N 2.99Å; T46-F50 PolarHBondContact O-N 3.17Å; T46-F103 HydrophobicContact CG2-CE2 4.3Å; T46-F103 HydrophobicContact CG2-CZ 4.2Å; T46-E106 PolarHBondContact N-OE2 3.21Å; T46-E106 PolarHBondContact OG1-OE2 2.88Å; T46-M120 HydrophobicContact CG2-CG 3.51Å; T46-M120 HydrophobicContact CG2-SD 3.78Å; T46-V147 HydrophobicContact CG2-CB 4.44Å; T46-V147 HydrophobicContact CG2-CG1 3.96Å; T46-F149 HydrophobicContact CG2-CB 3.63Å; T46-F149 HydrophobicContact CG2-CD1 3.87Å; T46-F149 HydrophobicContact CG2-CG 3.81Å
47	V	98.8	Very high	98.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-48.5	175	166	0	0	0	0	111.7	P18 L38 Q40 V43 K45 N49 F50 R51 F149	P18-V47 HydrophobicContact CG-CG1 4.1Å; L38-V47 HydrophobicContact CB-CB 4.31Å; L38-V47 HydrophobicContact CB-CG1 3.58Å; L38-V47 HydrophobicContact CB-CG2 3.82Å; L38-V47 HydrophobicContact CD1-CG1 3.87Å; L38-V47 HydrophobicContact CG-CG1 4.39Å; Q40-V47 HydrophobicContact CB-CB 4.5Å; Q40-V47 HydrophobicContact CB-CG1 4.02Å; Q40-V47 HydrophobicContact CG-CG1 4.44Å; V43-V47 HydrophobicContact CG2-CG2 4.27Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 WeakPolarHBondContact O-CG2 3.47Å; V43-V47 PolarHBondContact O-N 3.3Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 2.9Å; V47-N49 VanDerWaalsContact C-N 3.32Å; V47-N49 PolarHBondContact O-N 2.67Å; V47-F50 PolarHBondContact O-N 2.84Å; V47-F50 VanDerWaalsContact O-N 3.12Å; V47-R51 VanDerWaalsContact O-CB 3.28Å; V47-R51 WeakPolarHBondContact O-CB 3.41Å; V47-R51 PolarHBondContact O-N 3.47Å; V47-F149 HydrophobicContact CG2-CB 4.28Å
48	E	98.7	Very high	98.3	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-38.5	-177.1	-175.9	58.6	-165.9	0	0	112.2	P44 K45 F50 R51 Q52 I97	P44-E48 VanDerWaalsContact O-CB 3.3Å; P44-E48 WeakPolarHBondContact O-CB 3.41Å; P44-E48 PolarHBondContact O-N 2.96Å; K45-E48 PolarHBondContact O-N 2.79Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 2.77Å; E48-R51 PolarHBondContact O-N 2.92Å; E48-R51 IonicContact OE1-CZ 3.86Å; E48-R51 IonicContact OE1-NE 3.97Å; E48-R51 IonicContact OE1-NH2 3.43Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 IonicContact OE2-CZ 2.72Å; E48-R51 IonicContact OE2-NE 2.91Å; E48-R51 PolarHBondContact OE2-NE 2.96Å; E48-R51 IonicContact OE2-NH2 3.54Å; E48-R51 PolarHBondContact OE2-NH2 2.95Å; E48-Q52 WeakPolarHBondContact O-CG 3.34Å; E48-Q52 PolarHBondContact O-N 3.22Å; E48-Q52 VanDerWaalsContact O-N 3.1Å; E48-Q52 VanDerWaalsContact OE1-CG 3.32Å; E48-Q52 WeakPolarHBondContact OE1-CG 3.31Å; E48-Q52 PolarHBondContact OE1-NE2 3.06Å; E48-I97 HydrophobicContact CG-CD1 3.95Å
49	N	98.7	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-46.7	172.6	178.6	85.3	0	0	0	111.7	K45 V47 F53 S96 I97 Y98 F103 G129	K45-N49 PolarHBondContact O-N 2.94Å; V47-N49 VanDerWaalsContact C-N 3.32Å; V47-N49 PolarHBondContact O-N 2.67Å; N49-F53 WeakPolarHBondContact O-CD2 3.09Å; N49-F53 WeakPolarHBondContact O-CE2 3.21Å; N49-S96 WeakPolarHBondContact OD1-CA 3.42Å; N49-S96 PolarHBondContact OD1-OG 2.88Å; N49-I97 HydrophobicContact CB-CD1 4.29Å; N49-I97 HydrophobicContact CB-CG1 4.05Å; N49-I97 PolarHBondContact OD1-N 3.25Å; N49-Y98 HydrophobicContact CB-CE2 4.03Å; N49-F103 HydrophobicContact CB-CE1 4.22Å; N49-F103 HydrophobicContact CB-CZ 4.22Å; N49-F103 WeakPolarHBondContact ND2-CE1 3.47Å; N49-G129 PolarHBondContact ND2-O 3.44Å
50	F	98.8	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-45.1	178.6	-173.5	-92.2	0	0	0	112.9	V20 F22 L38 T46 V47 E48 Q52 F53 C54 Y67 L118 F132 F149	V20-F50 HydrophobicContact CG2-CD1 4.38Å; V20-F50 HydrophobicContact CG2-CE1 3.87Å; F22-F50 HydrophobicContact CE1-CZ 4.39Å; F22-F50 AromaticContact CE2-CZ 3.91Å; F22-F50 HydrophobicContact CE2-CZ 3.91Å; F22-F50 HydrophobicContact CZ-CE1 4.06Å; F22-F50 HydrophobicContact CZ-CE2 4.23Å; F22-F50 AromaticContact CZ-CZ 3.41Å; F22-F50 HydrophobicContact CZ-CZ 3.41Å; F22-F50 VanDerWaalsContact CZ-CZ 3.41Å; L38-F50 HydrophobicContact CD1-CD1 4.1Å; L38-F50 HydrophobicContact CD2-CD1 3.99Å; L38-F50 HydrophobicContact CD2-CE1 4.14Å; T46-F50 PolarHBondContact O-N 3.17Å; V47-F50 PolarHBondContact O-N 2.84Å; V47-F50 VanDerWaalsContact O-N 3.12Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 2.77Å; F50-Q52 PolarHBondContact O-N 3.29Å; F50-F53 PolarHBondContact O-N 3Å; F50-F53 VanDerWaalsContact O-N 3.17Å; F50-C54 WeakPolarHBondContact CE1-SG 3.29Å; F50-C54 PolarHBondContact O-N 3Å; F50-C54 VanDerWaalsContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 2.63Å; F50-Y67 HydrophobicContact CD1-CE2 4.29Å; F50-Y67 AromaticContact CD2-CE2 3.5Å; F50-Y67 HydrophobicContact CD2-CE2 3.5Å; F50-Y67 AromaticContact CD2-CZ 3.67Å; F50-Y67 WeakPolarHBondContact CD2-OH 3.35Å; F50-Y67 HydrophobicContact CE1-CE2 4.28Å; F50-Y67 HydrophobicContact CE2-CD2 4.36Å; F50-Y67 AromaticContact CE2-CE2 3.47Å; F50-Y67 HydrophobicContact CE2-CE2 3.47Å; F50-Y67 VanDerWaalsContact CE2-CE2 3.47Å; F50-Y67 AromaticContact CE2-CZ 3.76Å; F50-Y67 AromaticContact CG-CE2 3.94Å; F50-Y67 HydrophobicContact CG-CE2 3.94Å; F50-Y67 HydrophobicContact CZ-CD2 4.45Å; F50-Y67 AromaticContact CZ-CE2 3.89Å; F50-Y67 HydrophobicContact CZ-CE2 3.89Å; F50-Y67 WeakPolarHBondContact O-CE2 3.49Å; F50-L118 HydrophobicContact CD1-CD2 4.49Å; F50-L118 HydrophobicContact CE1-CD2 3.89Å; F50-L118 HydrophobicContact CE2-CD1 4.35Å; F50-L118 HydrophobicContact CE2-CD2 4.33Å; F50-L118 HydrophobicContact CZ-CD1 4.22Å; F50-L118 HydrophobicContact CZ-CD2 3.8Å; F50-F132 HydrophobicContact CD2-CD1 4.3Å; F50-F132 HydrophobicContact CD2-CG 4.5Å; F50-F132 HydrophobicContact CE2-CB 4.1Å; F50-F132 AromaticContact CE2-CD1 3.52Å; F50-F132 HydrophobicContact CE2-CD1 3.52Å; F50-F132 HydrophobicContact CE2-CD2 4.19Å; F50-F132 AromaticContact CE2-CE1 3.89Å; F50-F132 HydrophobicContact CE2-CE1 3.89Å; F50-F132 AromaticContact CE2-CG 3.67Å; F50-F132 HydrophobicContact CE2-CG 3.67Å; F50-F132 HydrophobicContact CE2-CZ 4.39Å; F50-F132 HydrophobicContact CZ-CD1 4.46Å; F50-F132 HydrophobicContact CZ-CE1 4.48Å; F50-F149 HydrophobicContact CB-CD2 4.26Å; F50-F149 HydrophobicContact CB-CE2 3.61Å; F50-F149 HydrophobicContact CB-CZ 4.15Å; F50-F149 AromaticContact CD1-CE2 3.73Å; F50-F149 HydrophobicContact CD1-CE2 3.73Å; F50-F149 HydrophobicContact CD1-CZ 4.42Å; F50-F149 AromaticContact CD2-CE2 3.44Å; F50-F149 HydrophobicContact CD2-CE2 3.44Å; F50-F149 VanDerWaalsContact CD2-CE2 3.44Å; F50-F149 AromaticContact CD2-CZ 3.32Å; F50-F149 HydrophobicContact CD2-CZ 3.32Å; F50-F149 HydrophobicContact CE1-CE2 4.18Å; F50-F149 AromaticContact CE2-CE2 3.94Å; F50-F149 HydrophobicContact CE2-CE2 3.94Å; F50-F149 AromaticContact CE2-CZ 3.68Å; F50-F149 HydrophobicContact CE2-CZ 3.68Å; F50-F149 HydrophobicContact CG-CD2 4.35Å; F50-F149 AromaticContact CG-CE2 3.32Å; F50-F149 HydrophobicContact CG-CE2 3.32Å; F50-F149 AromaticContact CG-CZ 3.74Å; F50-F149 HydrophobicContact CG-CZ 3.74Å; F50-F149 HydrophobicContact CZ-CE2 4.27Å; F50-F149 HydrophobicContact CZ-CZ 4.35Å
51	R	98.7	Very high	97.4	Very high	25 Å²	25	51.2 Å²	51.2	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-45.5	-176.3	-168.3	-167.6	72.7	68.8	8.1	111.4	V20 L38 V47 E48 F53 C54 T55 E57 E184	V20-R51 HydrophobicContact CG1-CG 4.15Å; L38-R51 HydrophobicContact CD1-CB 4.04Å; L38-R51 HydrophobicContact CD1-CG 4.34Å; V47-R51 VanDerWaalsContact O-CB 3.28Å; V47-R51 WeakPolarHBondContact O-CB 3.41Å; V47-R51 PolarHBondContact O-N 3.47Å; E48-R51 PolarHBondContact O-N 2.92Å; E48-R51 IonicContact OE1-CZ 3.86Å; E48-R51 IonicContact OE1-NE 3.97Å; E48-R51 IonicContact OE1-NH2 3.43Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 IonicContact OE2-CZ 2.72Å; E48-R51 IonicContact OE2-NE 2.91Å; E48-R51 PolarHBondContact OE2-NE 2.96Å; E48-R51 IonicContact OE2-NH2 3.54Å; E48-R51 PolarHBondContact OE2-NH2 2.95Å; R51-F53 VanDerWaalsContact C-N 3.28Å; R51-F53 PolarHBondContact O-N 2.83Å; R51-C54 WeakPolarHBondContact O-CA 3.26Å; R51-C54 VanDerWaalsContact O-CB 3.3Å; R51-C54 WeakPolarHBondContact O-CB 3.4Å; R51-C54 PolarHBondContact O-N 3.38Å; R51-T55 PolarHBondContact O-N 3.37Å; R51-T55 PolarHBondContact O-OG1 3.24Å; R51-E57 IonicContact CZ-OE1 2.74Å; R51-E57 IonicContact CZ-OE2 3.58Å; R51-E57 IonicContact NH1-OE1 3.74Å; R51-E57 PolarHBondContact NH1-OE1 3Å; R51-E57 IonicContact NH1-OE2 3.8Å; R51-E57 IonicContact NH2-OE1 3.68Å; R51-E57 PolarHBondContact NH2-OE1 3.11Å; R51-E57 IonicContact NH2-OE2 2.78Å; R51-E57 PolarHBondContact NH2-OE2 2.89Å; R51-E184 WeakPolarHBondContact CD-OE2 3.37Å; R51-E184 WeakPolarHBondContact CG-OE2 3.49Å; R51-E184 IonicContact CZ-OE2 2.76Å; R51-E184 IonicContact NE-OE2 3.45Å; R51-E184 IonicContact NH1-OE2 3.03Å; R51-E184 PolarHBondContact NH1-OE2 3.1Å
52	Q	98.6	Very high	97.1	Very high	39 Å²	39	50 Å²	50	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-31.8	178.7	-70.8	-168.6	20.7	0	0	113.4	E48 F50 C54 G56 E57 I97	E48-Q52 WeakPolarHBondContact O-CG 3.34Å; E48-Q52 PolarHBondContact O-N 3.22Å; E48-Q52 VanDerWaalsContact O-N 3.1Å; E48-Q52 VanDerWaalsContact OE1-CG 3.32Å; E48-Q52 WeakPolarHBondContact OE1-CG 3.31Å; E48-Q52 PolarHBondContact OE1-NE2 3.06Å; F50-Q52 PolarHBondContact O-N 3.29Å; Q52-C54 VanDerWaalsContact C-N 3.35Å; Q52-G56 WeakPolarHBondContact O-CA 3.32Å; Q52-G56 PolarHBondContact O-N 3.37Å; Q52-E57 HydrophobicContact CB-CB 4.32Å; Q52-E57 HydrophobicContact CG-CB 4.15Å; Q52-E57 PolarHBondContact O-N 3.14Å; Q52-I97 HydrophobicContact CB-CG2 4.15Å; Q52-I97 HydrophobicContact CG-CD1 4.33Å
53	F	98.6	Very high	96.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-73.9	-25.7	172.7	-63.3	-39.8	0	0	0	112.5	N49 F50 R51 Y58 G66 Y67 F86 F95 I97 C130	N49-F53 WeakPolarHBondContact O-CD2 3.09Å; N49-F53 WeakPolarHBondContact O-CE2 3.21Å; F50-F53 PolarHBondContact O-N 3Å; F50-F53 VanDerWaalsContact O-N 3.17Å; R51-F53 VanDerWaalsContact C-N 3.28Å; R51-F53 PolarHBondContact O-N 2.83Å; F53-Y58 HydrophobicContact CD1-CD1 4.31Å; F53-Y58 HydrophobicContact CD1-CG 4.39Å; F53-Y58 AromaticContact CE1-CD1 3.76Å; F53-Y58 HydrophobicContact CE1-CD1 3.76Å; F53-Y58 HydrophobicContact CE1-CE1 4.47Å; F53-Y58 AromaticContact CE1-CG 3.91Å; F53-Y58 HydrophobicContact CE1-CG 3.91Å; F53-G66 CarbonylContact O-C 3.6Å; F53-G66 VanDerWaalsContact O-CA 3.31Å; F53-G66 WeakPolarHBondContact O-CA 3.33Å; F53-Y67 HydrophobicContact CB-CD1 4.35Å; F53-Y67 HydrophobicContact CB-CD2 3.73Å; F53-Y67 HydrophobicContact CB-CE1 4.07Å; F53-Y67 HydrophobicContact CB-CE2 3.45Å; F53-Y67 VanDerWaalsContact CB-CE2 3.45Å; F53-Y67 HydrophobicContact CB-CG 4.19Å; F53-Y67 HydrophobicContact CD2-CE1 4.38Å; F53-Y67 HydrophobicContact CD2-CE2 4.45Å; F53-Y67 AromaticContact CD2-CZ 3.9Å; F53-Y67 HydrophobicContact CG-CE2 4.46Å; F53-Y67 PolarHBondContact O-N 3.43Å; F53-F86 HydrophobicContact CB-CE1 4.43Å; F53-F86 AromaticContact CD1-CE1 3.84Å; F53-F86 HydrophobicContact CD1-CE1 3.84Å; F53-F86 AromaticContact CD1-CZ 3.82Å; F53-F86 HydrophobicContact CD1-CZ 3.82Å; F53-F86 AromaticContact CD2-CE1 3.96Å; F53-F86 HydrophobicContact CD2-CE1 3.96Å; F53-F86 HydrophobicContact CD2-CZ 4.33Å; F53-F86 HydrophobicContact CE1-CE1 4.04Å; F53-F86 AromaticContact CE1-CZ 3.57Å; F53-F86 HydrophobicContact CE1-CZ 3.57Å; F53-F86 HydrophobicContact CE2-CE1 4.15Å; F53-F86 HydrophobicContact CE2-CZ 4.11Å; F53-F86 AromaticContact CG-CE1 3.82Å; F53-F86 HydrophobicContact CG-CE1 3.82Å; F53-F86 HydrophobicContact CG-CZ 4.22Å; F53-F86 HydrophobicContact CZ-CE1 4.2Å; F53-F86 AromaticContact CZ-CZ 3.74Å; F53-F86 HydrophobicContact CZ-CZ 3.74Å; F53-F95 HydrophobicContact CE1-CD1 4.18Å; F53-F95 AromaticContact CZ-CD1 3.94Å; F53-F95 HydrophobicContact CZ-CD1 3.94Å; F53-I97 HydrophobicContact CD1-CG2 4.26Å; F53-I97 HydrophobicContact CE1-CG2 3.6Å; F53-I97 HydrophobicContact CE2-CG2 4.08Å; F53-I97 HydrophobicContact CZ-CG2 3.49Å; F53-I97 VanDerWaalsContact CZ-CG2 3.49Å; F53-C130 HydrophobicContact CD2-CB 4.19Å; F53-C130 HydrophobicContact CE2-CB 3.83Å; F53-C130 HydrophobicContact CZ-CB 4.44Å
54	C	98.6	Very high	96.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-71.9	-46.1	169.6	-66.3	0	0	0	0	111.9	V20 F50 R51 Q52 C182 G183	V20-C54 HydrophobicContact CB-CB 4.26Å; V20-C54 HydrophobicContact CG1-CB 4.16Å; F50-C54 WeakPolarHBondContact CE1-SG 3.29Å; F50-C54 PolarHBondContact O-N 3Å; F50-C54 VanDerWaalsContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 2.63Å; R51-C54 WeakPolarHBondContact O-CA 3.26Å; R51-C54 VanDerWaalsContact O-CB 3.3Å; R51-C54 WeakPolarHBondContact O-CB 3.4Å; R51-C54 PolarHBondContact O-N 3.38Å; Q52-C54 VanDerWaalsContact C-N 3.35Å; C54-C182 CarbonylContact O-C 3.46Å; C54-C182 VanDerWaalsContact O-C 3.27Å; C54-C182 PolarHBondContact O-SG 2.99Å; C54-G183 WeakPolarHBondContact O-CA 3.41Å; C54-G183 PolarHBondContact O-N 3.49Å
55	T	98.2	Very high	96.6	Very high	45 Å²	45	54.5 Å²	54.5	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-82.4	-21.1	-173.3	61.4	0	0	0	0	113.5	R51 E57 E184	R51-T55 PolarHBondContact O-N 3.37Å; R51-T55 PolarHBondContact O-OG1 3.24Å; T55-E57 VanDerWaalsContact C-N 3.26Å; T55-E57 WeakPolarHBondContact OG1-CB 3.12Å; T55-E57 VanDerWaalsContact OG1-CG 3.29Å; T55-E57 WeakPolarHBondContact OG1-CG 3.25Å; T55-E57 PolarHBondContact OG1-N 3.36Å; T55-E57 PolarHBondContact OG1-OE1 3.17Å; T55-E184 HydrophobicContact CG2-CB 3.68Å
56	G	95.8	Very high	96.6	Very high	15 Å²	15	48.6 Å²	48.6	16%	0.155	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	17.2	-172.2	0	0	0	0	0	113.2	Q52 Y58	Q52-G56 WeakPolarHBondContact O-CA 3.32Å; Q52-G56 PolarHBondContact O-N 3.37Å; G56-Y58 VanDerWaalsContact C-N 3.28Å
57	E	97.4	Very high	96.5	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	26%	0.263	S	S	.	.			trans	-62.5	-38.2	169.1	-81	168.8	-126.6	0	0	111.3	R51 Q52 T55 R59	R51-E57 IonicContact CZ-OE1 2.74Å; R51-E57 IonicContact CZ-OE2 3.58Å; R51-E57 IonicContact NH1-OE1 3.74Å; R51-E57 PolarHBondContact NH1-OE1 3Å; R51-E57 IonicContact NH1-OE2 3.8Å; R51-E57 IonicContact NH2-OE1 3.68Å; R51-E57 PolarHBondContact NH2-OE1 3.11Å; R51-E57 IonicContact NH2-OE2 2.78Å; R51-E57 PolarHBondContact NH2-OE2 2.89Å; Q52-E57 HydrophobicContact CB-CB 4.32Å; Q52-E57 HydrophobicContact CG-CB 4.15Å; Q52-E57 PolarHBondContact O-N 3.14Å; T55-E57 VanDerWaalsContact C-N 3.26Å; T55-E57 WeakPolarHBondContact OG1-CB 3.12Å; T55-E57 VanDerWaalsContact OG1-CG 3.29Å; T55-E57 WeakPolarHBondContact OG1-CG 3.25Å; T55-E57 PolarHBondContact OG1-N 3.36Å; T55-E57 PolarHBondContact OG1-OE1 3.17Å; E57-R59 PolarHBondContact O-N 2.94Å
58	Y	96.6	Very high	96.5	Very high	46 Å²	46	54.7 Å²	54.7	18%	0.18	29%	0.289	C	S	.	.	S	Bend	trans	-68.3	123	170.9	-173.6	-94.9	0	0	0	109.7	F53 G56 T65 F95 I97	F53-Y58 HydrophobicContact CD1-CD1 4.31Å; F53-Y58 HydrophobicContact CD1-CG 4.39Å; F53-Y58 AromaticContact CE1-CD1 3.76Å; F53-Y58 HydrophobicContact CE1-CD1 3.76Å; F53-Y58 HydrophobicContact CE1-CE1 4.47Å; F53-Y58 AromaticContact CE1-CG 3.91Å; F53-Y58 HydrophobicContact CE1-CG 3.91Å; G56-Y58 VanDerWaalsContact C-N 3.28Å; Y58-T65 PolarHBondContact O-N 3.45Å; Y58-F95 HydrophobicContact CD1-CE1 4.34Å; Y58-F95 HydrophobicContact CE1-CD1 4.24Å; Y58-F95 AromaticContact CE1-CE1 3.43Å; Y58-F95 HydrophobicContact CE1-CE1 3.43Å; Y58-F95 VanDerWaalsContact CE1-CE1 3.43Å; Y58-F95 HydrophobicContact CE1-CZ 4.09Å; Y58-F95 HydrophobicContact CE2-CE1 4.13Å; Y58-F95 AromaticContact CZ-CE1 3.33Å; Y58-F95 AromaticContact CZ-CZ 3.74Å; Y58-F95 WeakPolarHBondContact OH-CE1 3.02Å; Y58-F95 WeakPolarHBondContact OH-CZ 3.35Å; Y58-I97 HydrophobicContact CD2-CB 3.89Å; Y58-I97 HydrophobicContact CD2-CG2 3.72Å; Y58-I97 HydrophobicContact CE2-CB 4.36Å; Y58-I97 HydrophobicContact CE2-CG2 4.5Å; Y58-I97 HydrophobicContact CG-CG2 3.97Å
59	R	95.2	Very high	96.5	Very high	154 Å²	154	54.8 Å²	54.8	58%	0.581	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.9	-178.9	-65.9	-176.4	176.2	118.3	2.1	110.7	E57 V63 P64	E57-R59 PolarHBondContact O-N 2.94Å; R59-V63 CarbonylContact C-O 3.38Å; R59-V63 VanDerWaalsContact CA-O 3.26Å; R59-V63 WeakPolarHBondContact CA-O 3.49Å; R59-P64 HydrophobicContact CG-CG 4.44Å
60	K	89.8	Confident	96.4	Very high	122 Å²	122	55.4 Å²	55.4	53%	0.53	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.9	168.2	-176	176.5	178.3	-180	0	108.3	G62 V63	K60-G62 PolarHBondContact O-N 2.84Å; K60-G62 VanDerWaalsContact O-N 3.14Å; K60-V63 PolarHBondContact N-O 3.08Å; K60-V63 WeakPolarHBondContact O-CB 2.83Å; K60-V63 PolarHBondContact O-N 3.37Å
61	D	91.5	Very high	96.4	Very high	150 Å²	150	56.6 Å²	56.6	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.4	-178.5	-53.6	-45.2	0	0	0	113.3	V63	D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 2.88Å
62	G	92.5	Very high	96.4	Very high	62 Å²	62	55.4 Å²	55.4	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-5.1	-177.9	0	0	0	0	0	115.3	K60	K60-G62 PolarHBondContact O-N 2.84Å; K60-G62 VanDerWaalsContact O-N 3.14Å
63	V	94.2	Very high	96.4	Very high	93 Å²	93	54.1 Å²	54.1	56%	0.564	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.2	-179.3	-175.4	0	0	0	0	110.5	R59 K60 D61 T65	R59-V63 CarbonylContact C-O 3.38Å; R59-V63 VanDerWaalsContact CA-O 3.26Å; R59-V63 WeakPolarHBondContact CA-O 3.49Å; K60-V63 PolarHBondContact N-O 3.08Å; K60-V63 WeakPolarHBondContact O-CB 2.83Å; K60-V63 PolarHBondContact O-N 3.37Å; D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 2.88Å; V63-T65 PolarHBondContact O-N 2.63Å; V63-T65 PolarHBondContact O-OG1 3.37Å
64	P	95.6	Very high	96.4	Very high	75 Å²	75	58.3 Å²	58.3	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	124.9	170.9	-26.8	35.6	0	0	0	111.3	R59	R59-P64 HydrophobicContact CG-CG 4.44Å
65	T	95.3	Very high	96.4	Very high	33 Å²	33	58.2 Å²	58.2	20%	0.202	32%	0.321	C	S	.	.			trans	-123.5	128.2	-179.6	-60.6	0	0	0	0	108.6	Y58 V63 F86	Y58-T65 PolarHBondContact O-N 3.45Å; V63-T65 PolarHBondContact O-N 2.63Å; V63-T65 PolarHBondContact O-OG1 3.37Å; T65-F86 HydrophobicContact CG2-CD2 3.81Å; T65-F86 HydrophobicContact CG2-CE2 3.64Å; T65-F86 HydrophobicContact CG2-CZ 4.36Å
66	G	97.5	Very high	96.4	Very high	13 Å²	13	58 Å²	58	13%	0.134	32%	0.318	C	S	.	.	S	Bend	trans	169	-150.9	-174.9	0	0	0	0	0	113.2	F53 T70	F53-G66 CarbonylContact O-C 3.6Å; F53-G66 VanDerWaalsContact O-CA 3.31Å; F53-G66 WeakPolarHBondContact O-CA 3.33Å; G66-T70 WeakPolarHBondContact O-CG2 3.24Å
67	Y	98.6	Very high	96.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-82.7	-16.4	-166.4	-58.6	-46.6	0	0	0	115.5	F22 F50 F53 G69 T70 F86 C130 F132	F22-Y67 AromaticContact CE1-CD2 3.95Å; F22-Y67 HydrophobicContact CE1-CD2 3.95Å; F22-Y67 HydrophobicContact CE1-CG 4.4Å; F22-Y67 AromaticContact CZ-CD2 3.83Å; F22-Y67 HydrophobicContact CZ-CD2 3.83Å; F22-Y67 HydrophobicContact CZ-CE2 4.4Å; F22-Y67 HydrophobicContact CZ-CG 4.29Å; F50-Y67 HydrophobicContact CD1-CE2 4.29Å; F50-Y67 AromaticContact CD2-CE2 3.5Å; F50-Y67 HydrophobicContact CD2-CE2 3.5Å; F50-Y67 AromaticContact CD2-CZ 3.67Å; F50-Y67 WeakPolarHBondContact CD2-OH 3.35Å; F50-Y67 HydrophobicContact CE1-CE2 4.28Å; F50-Y67 HydrophobicContact CE2-CD2 4.36Å; F50-Y67 AromaticContact CE2-CE2 3.47Å; F50-Y67 HydrophobicContact CE2-CE2 3.47Å; F50-Y67 VanDerWaalsContact CE2-CE2 3.47Å; F50-Y67 AromaticContact CE2-CZ 3.76Å; F50-Y67 AromaticContact CG-CE2 3.94Å; F50-Y67 HydrophobicContact CG-CE2 3.94Å; F50-Y67 HydrophobicContact CZ-CD2 4.45Å; F50-Y67 AromaticContact CZ-CE2 3.89Å; F50-Y67 HydrophobicContact CZ-CE2 3.89Å; F50-Y67 WeakPolarHBondContact O-CE2 3.49Å; F53-Y67 HydrophobicContact CB-CD1 4.35Å; F53-Y67 HydrophobicContact CB-CD2 3.73Å; F53-Y67 HydrophobicContact CB-CE1 4.07Å; F53-Y67 HydrophobicContact CB-CE2 3.45Å; F53-Y67 VanDerWaalsContact CB-CE2 3.45Å; F53-Y67 HydrophobicContact CB-CG 4.19Å; F53-Y67 HydrophobicContact CD2-CE1 4.38Å; F53-Y67 HydrophobicContact CD2-CE2 4.45Å; F53-Y67 AromaticContact CD2-CZ 3.9Å; F53-Y67 HydrophobicContact CG-CE2 4.46Å; F53-Y67 PolarHBondContact O-N 3.43Å; Y67-G69 PolarHBondContact O-N 3.28Å; Y67-T70 WeakPolarHBondContact O-CB 3.17Å; Y67-T70 VanDerWaalsContact O-CG2 3.29Å; Y67-T70 WeakPolarHBondContact O-CG2 3.35Å; Y67-T70 PolarHBondContact O-N 2.83Å; Y67-T70 PolarHBondContact O-OG1 3.5Å; Y67-F86 HydrophobicContact CD1-CD1 4.09Å; Y67-F86 HydrophobicContact CD1-CE1 4.45Å; Y67-F86 HydrophobicContact CE1-CD1 4.14Å; Y67-F86 HydrophobicContact CE1-CE1 4.14Å; Y67-C130 VanDerWaalsContact CE1-O 3.29Å; Y67-C130 WeakPolarHBondContact CE1-O 3.18Å; Y67-C130 PolarHBondContact OH-O 3.12Å; Y67-F132 HydrophobicContact CD1-CE1 4.07Å; Y67-F132 HydrophobicContact CE1-CD1 4.07Å; Y67-F132 AromaticContact CE1-CE1 3.87Å; Y67-F132 HydrophobicContact CE1-CE1 3.87Å; Y67-F132 HydrophobicContact CE2-CE1 4.44Å; Y67-F132 HydrophobicContact CG-CE1 4.46Å
68	K	98.2	Very high	96.5	Very high	128 Å²	128	63.3 Å²	63.3	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	124.8	178.8	177.5	171.8	167	167.3	0	110.7	T70 C182	K68-T70 VanDerWaalsContact C-N 3.31Å; K68-C182 PolarHBondContact N-SG 3.13Å; K68-C182 VanDerWaalsContact N-SG 3.37Å
69	G	97.7	Very high	96.6	Very high	53 Å²	53	63.3 Å²	63.3	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	0	-178.4	0	0	0	0	0	114.6	Y67 I179	Y67-G69 PolarHBondContact O-N 3.28Å; G69-I179 WeakPolarHBondContact CA-O 3.15Å; G69-I179 PolarHBondContact N-O 3.12Å
70	T	98.2	Very high	96.7	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.086	31%	0.314	C	S	.	.			trans	-85.8	159.3	-177.8	69.6	0	0	0	0	112	G66 Y67 K68 F86 L178 I179	G66-T70 WeakPolarHBondContact O-CG2 3.24Å; Y67-T70 WeakPolarHBondContact O-CB 3.17Å; Y67-T70 VanDerWaalsContact O-CG2 3.29Å; Y67-T70 WeakPolarHBondContact O-CG2 3.35Å; Y67-T70 PolarHBondContact O-N 2.83Å; Y67-T70 PolarHBondContact O-OG1 3.5Å; K68-T70 VanDerWaalsContact C-N 3.31Å; T70-F86 HydrophobicContact CG2-CB 3.5Å; T70-F86 VanDerWaalsContact CG2-CB 3.5Å; T70-L178 CarbonylContact O-C 3.27Å; T70-L178 VanDerWaalsContact O-CA 3.32Å; T70-L178 WeakPolarHBondContact O-CA 3.35Å; T70-I179 PolarHBondContact O-N 3.06Å
71	S	97.9	Very high	97.1	Very high	25 Å²	25	50.3 Å²	50.3	18%	0.175	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-101.1	151.8	179.7	62.9	0	0	0	0	113.4	H73 V177	S71-H73 PolarHBondContact O-N 2.93Å; S71-V177 CarbonylContact C-O 3.36Å; S71-V177 VanDerWaalsContact CA-O 3.24Å; S71-V177 WeakPolarHBondContact CA-O 3.17Å
72	F	98.7	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.256	C	S	.	.			trans	-75.1	100.1	152.9	-64.4	-84.1	0	0	0	108.4	F22 V24 M34 I75 V81 Q82 F132 I134 I162 P173 V177 I179	F22-F72 HydrophobicContact CD2-CZ 4.35Å; V24-F72 HydrophobicContact CG1-CE2 4.39Å; V24-F72 HydrophobicContact CG2-CE2 4.29Å; M34-F72 HydrophobicContact CE-CE2 4.44Å; M34-F72 HydrophobicContact CE-CZ 3.94Å; F72-I75 HydrophobicContact CB-CD1 4.36Å; F72-I75 HydrophobicContact CB-CG1 4.44Å; F72-V81 HydrophobicContact CD1-CB 4.33Å; F72-V81 HydrophobicContact CD1-CG2 4.26Å; F72-V81 HydrophobicContact CE1-CG2 4.27Å; F72-Q82 CarbonylContact C-O 3.52Å; F72-Q82 VanDerWaalsContact CA-O 3.24Å; F72-Q82 WeakPolarHBondContact CA-O 3.3Å; F72-F132 AromaticContact CE1-CE2 3.84Å; F72-F132 HydrophobicContact CE1-CE2 3.84Å; F72-F132 HydrophobicContact CE1-CZ 4.02Å; F72-I134 HydrophobicContact CE1-CD1 4.23Å; F72-I162 HydrophobicContact CE2-CD1 4.25Å; F72-P173 WeakPolarHBondContact O-CG 3.46Å; F72-V177 HydrophobicContact CB-CB 4.35Å; F72-V177 HydrophobicContact CB-CG1 4.41Å; F72-V177 HydrophobicContact CD2-CB 4.36Å; F72-V177 HydrophobicContact CD2-CG1 3.68Å; F72-V177 HydrophobicContact CE2-CG1 4.46Å; F72-V177 HydrophobicContact CG-CG1 4.44Å; F72-V177 PolarHBondContact N-O 2.85Å; F72-I179 HydrophobicContact CE2-CD1 4.27Å; F72-I179 HydrophobicContact CE2-CG1 3.73Å; F72-I179 HydrophobicContact CZ-CD1 4.13Å; F72-I179 HydrophobicContact CZ-CG1 4.04Å
73	H	98.4	Very high	97.8	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	23%	0.226	C	C	.	.			trans	-81.8	-16.3	-172.6	54.3	-80.3	0	0	0	113.7	S71 Q82 G89 G91 Q131 R172	S71-H73 PolarHBondContact O-N 2.93Å; H73-Q82 PolarHBondContact N-O 3Å; H73-Q82 VanDerWaalsContact N-O 3.08Å; H73-Q82 PolarHBondContact NE2-NE2 3.25Å; H73-G89 WeakPolarHBondContact CB-O 3.49Å; H73-G91 VanDerWaalsContact CD2-CA 3.43Å; H73-G91 WeakPolarHBondContact CD2-CA 3.46Å; H73-G91 PolarHBondContact CD2-N 3.44Å; H73-G91 WeakPolarHBondContact NE2-CA 3.07Å; H73-Q131 PolarHBondContact CE1-OE1 3.39Å; H73-Q131 VanDerWaalsContact CE1-OE1 3.25Å; H73-Q131 PolarHBondContact NE2-OE1 3.34Å; H73-R172 WeakPolarHBondContact O-CA 3.35Å
74	R	98.6	Very high	98	Very high	89 Å²	89	36.9 Å²	36.9	34%	0.336	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.2	179.9	-173.6	-172.8	178.5	-146.6	2.7	111.1	M80 Q82 N171	R74-M80 HydrophobicContact CG-CE 3.87Å; R74-Q82 HydrophobicContact CB-CB 4.2Å; R74-Q82 PolarHBondContact N-O 2.82Å; R74-Q82 PolarHBondContact O-N 2.76Å; R74-N171 HydrophobicContact CG-CB 4.07Å
75	I	98.7	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.2	-177.6	-66.1	175.4	0	0	0	108.9	F72 V81 I162 V165 T167 N171 P173 V177	F72-I75 HydrophobicContact CB-CD1 4.36Å; F72-I75 HydrophobicContact CB-CG1 4.44Å; I75-V81 HydrophobicContact CG1-CB 4.32Å; I75-V81 HydrophobicContact CG1-CG1 4.16Å; I75-V81 HydrophobicContact CG2-CG1 4.14Å; I75-I162 HydrophobicContact CD1-CG2 3.56Å; I75-I162 HydrophobicContact CG1-CG2 4.29Å; I75-V165 HydrophobicContact CD1-CB 4.49Å; I75-T167 HydrophobicContact CB-CG2 3.94Å; I75-T167 HydrophobicContact CG2-CG2 4.18Å; I75-T167 WeakPolarHBondContact O-CG2 3.41Å; I75-N171 PolarHBondContact N-O 3.39Å; I75-N171 WeakPolarHBondContact O-CB 3.25Å; I75-P173 HydrophobicContact CD1-CB 4.04Å; I75-P173 HydrophobicContact CD1-CG 4.09Å; I75-V177 HydrophobicContact CD1-CB 4.48Å; I75-V177 HydrophobicContact CD1-CG2 3.97Å
76	I	98.3	Very high	98.2	Very high	39 Å²	39	33.8 Å²	33.8	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	109.8	175.3	-57.1	173.6	0	0	0	107.3	F79 M80 N171	I76-F79 HydrophobicContact CB-CB 4.05Å; I76-F79 HydrophobicContact CB-CD1 3.97Å; I76-F79 HydrophobicContact CB-CG 4.48Å; I76-F79 HydrophobicContact CD1-CD1 3.83Å; I76-F79 HydrophobicContact CD1-CE1 4.22Å; I76-F79 HydrophobicContact CG1-CD1 4.47Å; I76-F79 HydrophobicContact CG2-CB 3.79Å; I76-F79 HydrophobicContact CG2-CD1 4.01Å; I76-F79 HydrophobicContact CG2-CG 4.42Å; I76-F79 PolarHBondContact O-N 3Å; I76-M80 HydrophobicContact CB-CE 3.81Å; I76-M80 HydrophobicContact CD1-CE 3.68Å; I76-M80 HydrophobicContact CG1-CE 3.52Å; I76-M80 PolarHBondContact N-O 3.36Å; I76-M80 PolarHBondContact O-N 2.82Å; I76-N171 HydrophobicContact CD1-CB 4.42Å; I76-N171 HydrophobicContact CG1-CB 3.78Å
77	K	97.9	Very high	98.1	Very high	114 Å²	114	37.1 Å²	37.1	50%	0.496	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.8	178.4	-177.4	174.3	172.6	160.1	0	111	F79 N164	K77-F79 PolarHBondContact O-N 3.31Å; K77-F79 VanDerWaalsContact O-N 3.12Å; K77-N164 WeakPolarHBondContact CE-OD1 3.23Å; K77-N164 PolarHBondContact NZ-OD1 3.42Å
78	D	96.9	Very high	98	Very high	106 Å²	106	41.6 Å²	41.6	57%	0.567	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	16	-178	-54.1	-49.4	0	0	0	113.7	A137 E163	D78-A137 WeakPolarHBondContact O-CB 3.46Å; D78-E163 PolarHBondContact N-OE2 3.04Å
79	F	98.2	Very high	97.9	Very high	46 Å²	46	36.3 Å²	36.3	20%	0.202	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-75.9	174.5	176.2	-149.3	0	0	0	111.6	I76 K77 C136 C139 F141 L142	I76-F79 HydrophobicContact CB-CB 4.05Å; I76-F79 HydrophobicContact CB-CD1 3.97Å; I76-F79 HydrophobicContact CB-CG 4.48Å; I76-F79 HydrophobicContact CD1-CD1 3.83Å; I76-F79 HydrophobicContact CD1-CE1 4.22Å; I76-F79 HydrophobicContact CG1-CD1 4.47Å; I76-F79 HydrophobicContact CG2-CB 3.79Å; I76-F79 HydrophobicContact CG2-CD1 4.01Å; I76-F79 HydrophobicContact CG2-CG 4.42Å; I76-F79 PolarHBondContact O-N 3Å; K77-F79 PolarHBondContact O-N 3.31Å; K77-F79 VanDerWaalsContact O-N 3.12Å; F79-C136 PolarHBondContact O-N 2.84Å; F79-C139 VanDerWaalsContact CD2-SG 3.56Å; F79-C139 HydrophobicContact CE2-CB 4.43Å; F79-F141 AromaticContact CD2-CZ 3.91Å; F79-F141 HydrophobicContact CD2-CZ 3.91Å; F79-F141 HydrophobicContact CE2-CE1 4.49Å; F79-F141 AromaticContact CE2-CE2 3.81Å; F79-F141 HydrophobicContact CE2-CE2 3.81Å; F79-F141 AromaticContact CE2-CZ 3.39Å; F79-F141 HydrophobicContact CE2-CZ 3.39Å; F79-F141 AromaticContact CZ-CE2 3.97Å; F79-F141 HydrophobicContact CZ-CE2 3.97Å; F79-F141 AromaticContact CZ-CZ 3.94Å; F79-F141 HydrophobicContact CZ-CZ 3.94Å; F79-L142 HydrophobicContact CE2-CD1 3.89Å; F79-L142 HydrophobicContact CZ-CD1 4.23Å
80	M	98.4	Very high	97.9	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	161.1	-174.8	63	82.8	-118.1	0	0	114	R74 I76 Q82 F133 I134	R74-M80 HydrophobicContact CG-CE 3.87Å; I76-M80 HydrophobicContact CB-CE 3.81Å; I76-M80 HydrophobicContact CD1-CE 3.68Å; I76-M80 HydrophobicContact CG1-CE 3.52Å; I76-M80 PolarHBondContact N-O 3.36Å; I76-M80 PolarHBondContact O-N 2.82Å; M80-Q82 HydrophobicContact CE-CB 4.43Å; M80-Q82 HydrophobicContact SD-CB 3.6Å; M80-F133 HydrophobicContact CB-CB 4.25Å; M80-F133 HydrophobicContact CB-CD2 4.09Å; M80-F133 HydrophobicContact CG-CB 4.45Å; M80-F133 HydrophobicContact SD-CB 4.08Å; M80-I134 CarbonylContact C-O 3.57Å; M80-I134 VanDerWaalsContact CA-O 3.25Å; M80-I134 WeakPolarHBondContact CA-O 3.5Å
81	V	98.7	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125	165.6	-56.3	0	0	0	0	108.3	F72 I75 F133 I134 L159 I162 E163	F72-V81 HydrophobicContact CD1-CB 4.33Å; F72-V81 HydrophobicContact CD1-CG2 4.26Å; F72-V81 HydrophobicContact CE1-CG2 4.27Å; I75-V81 HydrophobicContact CG1-CB 4.32Å; I75-V81 HydrophobicContact CG1-CG1 4.16Å; I75-V81 HydrophobicContact CG2-CG1 4.14Å; V81-F133 CarbonylContact O-C 3.5Å; V81-F133 WeakPolarHBondContact O-CA 3.48Å; V81-F133 WeakPolarHBondContact O-CB 3.49Å; V81-I134 HydrophobicContact CG2-CB 3.76Å; V81-I134 HydrophobicContact CG2-CD1 4.02Å; V81-I134 HydrophobicContact CG2-CG1 4.25Å; V81-I134 PolarHBondContact N-O 3.44Å; V81-I134 PolarHBondContact O-N 3.44Å; V81-L159 HydrophobicContact CB-CD1 4.43Å; V81-L159 HydrophobicContact CG1-CD1 4.09Å; V81-L159 HydrophobicContact CG2-CD1 3.39Å; V81-I162 HydrophobicContact CB-CG2 4.21Å; V81-I162 HydrophobicContact CG1-CB 4.45Å; V81-I162 HydrophobicContact CG1-CG2 3.74Å; V81-E163 HydrophobicContact CG1-CB 4.13Å
82	Q	98.8	Very high	97.8	Very high	24 Å²	24	42 Å²	42	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.9	-175.2	175	-177.3	-12.5	0	0	110.4	F72 H73 R74 M80 A121 F132 F133	F72-Q82 CarbonylContact C-O 3.52Å; F72-Q82 VanDerWaalsContact CA-O 3.24Å; F72-Q82 WeakPolarHBondContact CA-O 3.3Å; H73-Q82 PolarHBondContact N-O 3Å; H73-Q82 VanDerWaalsContact N-O 3.08Å; H73-Q82 PolarHBondContact NE2-NE2 3.25Å; R74-Q82 HydrophobicContact CB-CB 4.2Å; R74-Q82 PolarHBondContact N-O 2.82Å; R74-Q82 PolarHBondContact O-N 2.76Å; M80-Q82 HydrophobicContact CE-CB 4.43Å; M80-Q82 HydrophobicContact SD-CB 3.6Å; Q82-A121 HydrophobicContact CG-CB 4.45Å; Q82-F132 WeakPolarHBondContact CA-O 3.25Å; Q82-F132 WeakPolarHBondContact CG-O 3.5Å; Q82-F133 HydrophobicContact CB-CB 4.08Å
83	G	98.6	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-165.4	-178.5	0	0	0	0	0	111.5	Q131 F132	G83-Q131 WeakPolarHBondContact O-CA 3.07Å; G83-F132 PolarHBondContact N-O 2.7Å; G83-F132 PolarHBondContact O-N 2.78Å
84	G	98.3	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	91.8	-4.9	173.1	0	0	0	0	0	115.5	F86 C130	G84-F86 VanDerWaalsContact C-N 3.31Å; G84-F86 VanDerWaalsContact O-CD1 3.28Å; G84-F86 WeakPolarHBondContact O-CD1 3.29Å; G84-F86 PolarHBondContact O-N 2.93Å; G84-C130 WeakPolarHBondContact CA-O 3.32Å; G84-C130 PolarHBondContact O-SG 2.88Å
85	D	98.1	Very high	97.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.221	C	C	.	.			trans	-76.6	83.2	171.1	-175.5	-1.7	0	0	0	110.4	I87 N88 G89 D90 G91 T92 G93 Q131	D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 PolarHBondContact OD1-N 2.88Å; D85-N88 PolarHBondContact OD1-N 3.07Å; D85-G89 VanDerWaalsContact O-CA 3.23Å; D85-G89 WeakPolarHBondContact O-CA 3.12Å; D85-G89 PolarHBondContact O-N 3.1Å; D85-G89 PolarHBondContact OD1-N 3.32Å; D85-G89 PolarHBondContact OD2-N 3.17Å; D85-D90 PolarHBondContact OD2-N 3.12Å; D85-G91 WeakPolarHBondContact OD2-CA 3.48Å; D85-G91 PolarHBondContact OD2-N 3.2Å; D85-T92 PolarHBondContact OD2-N 3.11Å; D85-G93 VanDerWaalsContact OD1-CA 3.27Å; D85-G93 WeakPolarHBondContact OD1-CA 3.06Å; D85-G93 PolarHBondContact OD2-N 3.36Å; D85-Q131 HydrophobicContact CB-CG 3.93Å
86	F	96.9	Very high	97.5	Very high	39 Å²	39	40.6 Å²	40.6	17%	0.171	22%	0.221	C	C	.	.			trans	-83.6	3.1	172.9	53.1	-107.9	0	0	0	114	F53 T65 Y67 T70 G84 F95 C130	F53-F86 HydrophobicContact CB-CE1 4.43Å; F53-F86 AromaticContact CD1-CE1 3.84Å; F53-F86 HydrophobicContact CD1-CE1 3.84Å; F53-F86 AromaticContact CD1-CZ 3.82Å; F53-F86 HydrophobicContact CD1-CZ 3.82Å; F53-F86 AromaticContact CD2-CE1 3.96Å; F53-F86 HydrophobicContact CD2-CE1 3.96Å; F53-F86 HydrophobicContact CD2-CZ 4.33Å; F53-F86 HydrophobicContact CE1-CE1 4.04Å; F53-F86 AromaticContact CE1-CZ 3.57Å; F53-F86 HydrophobicContact CE1-CZ 3.57Å; F53-F86 HydrophobicContact CE2-CE1 4.15Å; F53-F86 HydrophobicContact CE2-CZ 4.11Å; F53-F86 AromaticContact CG-CE1 3.82Å; F53-F86 HydrophobicContact CG-CE1 3.82Å; F53-F86 HydrophobicContact CG-CZ 4.22Å; F53-F86 HydrophobicContact CZ-CE1 4.2Å; F53-F86 AromaticContact CZ-CZ 3.74Å; F53-F86 HydrophobicContact CZ-CZ 3.74Å; T65-F86 HydrophobicContact CG2-CD2 3.81Å; T65-F86 HydrophobicContact CG2-CE2 3.64Å; T65-F86 HydrophobicContact CG2-CZ 4.36Å; Y67-F86 HydrophobicContact CD1-CD1 4.09Å; Y67-F86 HydrophobicContact CD1-CE1 4.45Å; Y67-F86 HydrophobicContact CE1-CD1 4.14Å; Y67-F86 HydrophobicContact CE1-CE1 4.14Å; T70-F86 HydrophobicContact CG2-CB 3.5Å; T70-F86 VanDerWaalsContact CG2-CB 3.5Å; G84-F86 VanDerWaalsContact C-N 3.31Å; G84-F86 VanDerWaalsContact O-CD1 3.28Å; G84-F86 WeakPolarHBondContact O-CD1 3.29Å; G84-F86 PolarHBondContact O-N 2.93Å; F86-F95 HydrophobicContact CE2-CB 3.97Å; F86-F95 HydrophobicContact CE2-CD1 4.32Å; F86-F95 HydrophobicContact CE2-CG 4.35Å; F86-F95 HydrophobicContact CZ-CB 4.05Å; F86-F95 HydrophobicContact CZ-CD1 4.25Å; F86-C130 HydrophobicContact CD1-CB 4.03Å; F86-C130 HydrophobicContact CE1-CB 3.24Å; F86-C130 HydrophobicContact CZ-CB 3.52Å
87	I	96	Very high	97.5	Very high	84 Å²	84	40 Å²	40	43%	0.431	22%	0.217	S	C	.	.	S	Bend	trans	-95	-52.9	-179	-54.1	-64.9	0	0	0	109.8	D85 F95	D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 PolarHBondContact OD1-N 2.88Å; I87-F95 HydrophobicContact CD1-CB 4.12Å; I87-F95 HydrophobicContact CD1-CG 4.48Å; I87-F95 HydrophobicContact CG1-CB 4.2Å
88	N	97.2	Very high	97.4	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-118.1	-22.6	-176.3	-63.6	-25.2	0	0	0	112.9	D85 D90 T92 G93	D85-N88 PolarHBondContact OD1-N 3.07Å; N88-D90 WeakPolarHBondContact CB-OD1 3.18Å; N88-D90 PolarHBondContact O-N 3.02Å; N88-T92 PolarHBondContact ND2-OG1 3.34Å; N88-G93 PolarHBondContact ND2-N 2.99Å
89	G	96.6	Very high	97.1	Very high	17 Å²	17	38 Å²	38	18%	0.175	22%	0.222	C	C	.	.	S	Bend	trans	68.3	14.6	179.1	0	0	0	0	0	114.8	H73 D85	H73-G89 WeakPolarHBondContact CB-O 3.49Å; D85-G89 VanDerWaalsContact O-CA 3.23Å; D85-G89 WeakPolarHBondContact O-CA 3.12Å; D85-G89 PolarHBondContact O-N 3.1Å; D85-G89 PolarHBondContact OD1-N 3.32Å; D85-G89 PolarHBondContact OD2-N 3.17Å
90	D	96.2	Very high	96.8	Very high	89 Å²	89	37.2 Å²	37.2	48%	0.476	23%	0.227	S	C	.	.	S	Bend	trans	-126.5	0.7	-176.9	68.2	4.2	0	0	0	113.7	D85 N88 T92	D85-D90 PolarHBondContact OD2-N 3.12Å; N88-D90 WeakPolarHBondContact CB-OD1 3.18Å; N88-D90 PolarHBondContact O-N 3.02Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.48Å; D90-T92 PolarHBondContact OD1-N 3.37Å; D90-T92 PolarHBondContact OD1-OG1 2.95Å
91	G	97	Very high	96.7	Very high	26 Å²	26	41.5 Å²	41.5	27%	0.268	25%	0.253	S	S	.	.	S	Bend	trans	94.2	2.4	179.4	0	0	0	0	0	114.2	H73 D85 Q131	H73-G91 VanDerWaalsContact CD2-CA 3.43Å; H73-G91 WeakPolarHBondContact CD2-CA 3.46Å; H73-G91 PolarHBondContact CD2-N 3.44Å; H73-G91 WeakPolarHBondContact NE2-CA 3.07Å; D85-G91 WeakPolarHBondContact OD2-CA 3.48Å; D85-G91 PolarHBondContact OD2-N 3.2Å; G91-Q131 PolarHBondContact O-NE2 3.27Å
92	T	96.9	Very high	96.6	Very high	97 Å²	97	45.2 Å²	45.2	60%	0.595	27%	0.27	S	S	*	.			trans	-94.8	-15.9	177.1	65.3	0	0	0	0	113.4	D85 N88 D90	D85-T92 PolarHBondContact OD2-N 3.11Å; N88-T92 PolarHBondContact ND2-OG1 3.34Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.48Å; D90-T92 PolarHBondContact OD1-N 3.37Å; D90-T92 PolarHBondContact OD1-OG1 2.95Å
93	G	97	Very high	96.6	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	27%	0.269	C	S	.	.			trans	-80.3	140.9	179.4	0	0	0	0	0	113.2	D85 N88 Q131	D85-G93 VanDerWaalsContact OD1-CA 3.27Å; D85-G93 WeakPolarHBondContact OD1-CA 3.06Å; D85-G93 PolarHBondContact OD2-N 3.36Å; N88-G93 PolarHBondContact ND2-N 2.99Å; G93-Q131 PolarHBondContact O-NE2 3.03Å
94	S	97.2	Very high	96.6	Very high	31 Å²	31	47.9 Å²	47.9	22%	0.217	29%	0.292	C	S	.	.			trans	-145.5	136.6	177	-168.6	0	0	0	0	110.2	V101 G129	S94-V101 CarbonylContact C-O 3.57Å; S94-V101 WeakPolarHBondContact CB-O 3.5Å; S94-V101 PolarHBondContact OG-O 3.12Å; S94-G129 WeakPolarHBondContact OG-CA 3.41Å
95	F	96.5	Very high	96.6	Very high	40 Å²	40	49 Å²	49	18%	0.175	30%	0.298	C	S	.	.			trans	-154.6	145.3	179.4	-165.3	-94.4	0	0	0	110.9	F53 Y58 F86 I87 V101 G129 C130	F53-F95 HydrophobicContact CE1-CD1 4.18Å; F53-F95 AromaticContact CZ-CD1 3.94Å; F53-F95 HydrophobicContact CZ-CD1 3.94Å; Y58-F95 HydrophobicContact CD1-CE1 4.34Å; Y58-F95 HydrophobicContact CE1-CD1 4.24Å; Y58-F95 AromaticContact CE1-CE1 3.43Å; Y58-F95 HydrophobicContact CE1-CE1 3.43Å; Y58-F95 VanDerWaalsContact CE1-CE1 3.43Å; Y58-F95 HydrophobicContact CE1-CZ 4.09Å; Y58-F95 HydrophobicContact CE2-CE1 4.13Å; Y58-F95 AromaticContact CZ-CE1 3.33Å; Y58-F95 AromaticContact CZ-CZ 3.74Å; Y58-F95 WeakPolarHBondContact OH-CE1 3.02Å; Y58-F95 WeakPolarHBondContact OH-CZ 3.35Å; F86-F95 HydrophobicContact CE2-CB 3.97Å; F86-F95 HydrophobicContact CE2-CD1 4.32Å; F86-F95 HydrophobicContact CE2-CG 4.35Å; F86-F95 HydrophobicContact CZ-CB 4.05Å; F86-F95 HydrophobicContact CZ-CD1 4.25Å; I87-F95 HydrophobicContact CD1-CB 4.12Å; I87-F95 HydrophobicContact CD1-CG 4.48Å; I87-F95 HydrophobicContact CG1-CB 4.2Å; F95-V101 PolarHBondContact N-O 3.45Å; F95-G129 CarbonylContact O-C 3.45Å; F95-C130 PolarHBondContact N-SG 3.3Å; F95-C130 WeakPolarHBondContact O-CB 3.5Å; F95-C130 PolarHBondContact O-N 2.72Å
96	S	97.8	Very high	96.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-129.1	146.9	175.6	177.9	0	0	0	0	111.2	N49 Y98 G99 G100 F103	N49-S96 WeakPolarHBondContact OD1-CA 3.42Å; N49-S96 PolarHBondContact OD1-OG 2.88Å; S96-Y98 PolarHBondContact O-N 2.9Å; S96-Y98 VanDerWaalsContact O-N 3.11Å; S96-Y98 VanDerWaalsContact OG-CD2 3.24Å; S96-Y98 WeakPolarHBondContact OG-CD2 3.41Å; S96-Y98 PolarHBondContact OG-N 2.89Å; S96-G99 PolarHBondContact O-N 3.16Å; S96-G100 PolarHBondContact N-O 3.17Å; S96-F103 WeakPolarHBondContact OG-CD1 3.44Å
97	I	97.4	Very high	96.7	Very high	25 Å²	25	51.5 Å²	51.5	13%	0.128	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.8	174	68.5	165.6	0	0	0	112.8	E48 N49 Q52 F53 Y58 G99	E48-I97 HydrophobicContact CG-CD1 3.95Å; N49-I97 HydrophobicContact CB-CD1 4.29Å; N49-I97 HydrophobicContact CB-CG1 4.05Å; N49-I97 PolarHBondContact OD1-N 3.25Å; Q52-I97 HydrophobicContact CB-CG2 4.15Å; Q52-I97 HydrophobicContact CG-CD1 4.33Å; F53-I97 HydrophobicContact CD1-CG2 4.26Å; F53-I97 HydrophobicContact CE1-CG2 3.6Å; F53-I97 HydrophobicContact CE2-CG2 4.08Å; F53-I97 HydrophobicContact CZ-CG2 3.49Å; F53-I97 VanDerWaalsContact CZ-CG2 3.49Å; Y58-I97 HydrophobicContact CD2-CB 3.89Å; Y58-I97 HydrophobicContact CD2-CG2 3.72Å; Y58-I97 HydrophobicContact CE2-CB 4.36Å; Y58-I97 HydrophobicContact CE2-CG2 4.5Å; Y58-I97 HydrophobicContact CG-CG2 3.97Å; I97-G99 PolarHBondContact O-N 2.94Å
98	Y	97.1	Very high	96.8	Very high	108 Å²	108	50 Å²	50	42%	0.424	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	18.5	-176.8	-55.8	-57.3	0	0	0	114.3	K45 N49 S96 F103	K45-Y98 VanDerWaalsContact CA-OH 3.23Å; K45-Y98 WeakPolarHBondContact CA-OH 3.24Å; K45-Y98 HydrophobicContact CB-CE2 4.38Å; K45-Y98 WeakPolarHBondContact CB-OH 3.35Å; K45-Y98 PolarHBondContact O-OH 3.47Å; N49-Y98 HydrophobicContact CB-CE2 4.03Å; S96-Y98 PolarHBondContact O-N 2.9Å; S96-Y98 VanDerWaalsContact O-N 3.11Å; S96-Y98 VanDerWaalsContact OG-CD2 3.24Å; S96-Y98 WeakPolarHBondContact OG-CD2 3.41Å; S96-Y98 PolarHBondContact OG-N 2.89Å; Y98-F103 HydrophobicContact CD2-CB 4.04Å; Y98-F103 HydrophobicContact CD2-CG 4.16Å; Y98-F103 HydrophobicContact CE2-CD2 4.48Å; Y98-F103 HydrophobicContact CE2-CG 4.43Å
99	G	90.4	Very high	96.9	Very high	72 Å²	72	52.3 Å²	52.3	74%	0.742	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	19.4	171.7	0	0	0	0	0	115.1	S96 I97	S96-G99 PolarHBondContact O-N 3.16Å; I97-G99 PolarHBondContact O-N 2.94Å
100	G	92.3	Very high	96.9	Very high	29 Å²	29	53 Å²	53	30%	0.299	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-146.2	179	-179.3	0	0	0	0	0	113.4	S96 Q102	S96-G100 PolarHBondContact N-O 3.17Å; G100-Q102 VanDerWaalsContact C-N 3.29Å
101	V	96.1	Very high	97	Very high	92 Å²	92	52.9 Å²	52.9	56%	0.558	31%	0.306	S	S	*	.	S	Bend	trans	-72.6	-26.9	174.7	-65.1	0	0	0	0	112	S94 F95	S94-V101 CarbonylContact C-O 3.57Å; S94-V101 WeakPolarHBondContact CB-O 3.5Å; S94-V101 PolarHBondContact OG-O 3.12Å; F95-V101 PolarHBondContact N-O 3.45Å
102	Q	97.3	Very high	97.1	Very high	78 Å²	78	51.7 Å²	51.7	36%	0.364	29%	0.293	S	S	.	.			trans	-147.7	161	-170.1	-71.8	169.7	-13.3	0	0	112.5	G100 T127 N128	G100-Q102 VanDerWaalsContact C-N 3.29Å; Q102-T127 VanDerWaalsContact CD-CB 3.44Å; Q102-N128 CarbonylContact C-O 3.59Å; Q102-N128 WeakPolarHBondContact CA-O 3.45Å
103	F	98.4	Very high	97	Very high	23 Å²	23	50.5 Å²	50.5	10%	0.101	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-140.1	160.6	172.2	68.8	-82	0	0	0	111.8	T46 N49 S96 Y98 M120 D126 N128 G129	T46-F103 HydrophobicContact CG2-CE2 4.3Å; T46-F103 HydrophobicContact CG2-CZ 4.2Å; N49-F103 HydrophobicContact CB-CE1 4.22Å; N49-F103 HydrophobicContact CB-CZ 4.22Å; N49-F103 WeakPolarHBondContact ND2-CE1 3.47Å; S96-F103 WeakPolarHBondContact OG-CD1 3.44Å; Y98-F103 HydrophobicContact CD2-CB 4.04Å; Y98-F103 HydrophobicContact CD2-CG 4.16Å; Y98-F103 HydrophobicContact CE2-CD2 4.48Å; Y98-F103 HydrophobicContact CE2-CG 4.43Å; F103-M120 HydrophobicContact CE1-CE 4.13Å; F103-M120 HydrophobicContact CZ-CE 4.03Å; F103-M120 HydrophobicContact CZ-SD 4.47Å; F103-D126 CarbonylContact O-C 3.53Å; F103-N128 HydrophobicContact CD1-CB 3.88Å; F103-N128 WeakPolarHBondContact CD1-O 3.43Å; F103-N128 HydrophobicContact CD2-CB 4.1Å; F103-N128 HydrophobicContact CE1-CB 3.5Å; F103-N128 VanDerWaalsContact CE1-CB 3.5Å; F103-N128 WeakPolarHBondContact CE1-O 3.33Å; F103-N128 HydrophobicContact CE2-CB 3.74Å; F103-N128 HydrophobicContact CG-CB 4.18Å; F103-N128 HydrophobicContact CZ-CB 3.43Å; F103-N128 VanDerWaalsContact CZ-CB 3.43Å; F103-N128 PolarHBondContact N-O 2.83Å; F103-N128 WeakPolarHBondContact O-CB 3.31Å; F103-N128 PolarHBondContact O-N 3.37Å; F103-G129 WeakPolarHBondContact CE1-O 3.4Å
104	A	98.3	Very high	97	Very high	57 Å²	57	53.8 Å²	53.8	47%	0.471	31%	0.308	S	S	.	.			trans	-67.5	157.4	-174.2	0	0	0	0	0	113.6	E106 D126 N128	A104-E106 PolarHBondContact O-N 3.27Å; A104-D126 WeakPolarHBondContact CA-OD1 3.47Å; A104-D126 HydrophobicContact CB-CB 4.18Å; A104-D126 WeakPolarHBondContact CB-OD1 3.34Å; A104-N128 PolarHBondContact O-ND2 3.49Å
105	D	98.7	Very high	97	Very high	24 Å²	24	54.3 Å²	54.3	13%	0.128	31%	0.311	C	S	.	.			trans	-66	129.9	168.4	-63.5	-50	0	0	0	109.2	F108 R125 D126 N128 V147	D105-F108 HydrophobicContact CB-CE1 4.21Å; D105-F108 HydrophobicContact CB-CE2 4.21Å; D105-F108 HydrophobicContact CB-CZ 3.61Å; D105-R125 WeakPolarHBondContact OD2-CA 3.34Å; D105-D126 PolarHBondContact N-OD1 3.49Å; D105-D126 PolarHBondContact OD2-N 2.78Å; D105-N128 WeakPolarHBondContact CA-ND2 3.43Å; D105-N128 PolarHBondContact N-ND2 2.87Å; D105-N128 PolarHBondContact OD1-ND2 3.21Å; D105-V147 HydrophobicContact CB-CG2 3.94Å
106	E	98.3	Very high	97.1	Very high	58 Å²	58	52.5 Å²	52.5	27%	0.271	30%	0.304	S	S	.	.			trans	-81.9	-53	-177.7	-170.9	162.4	-163.4	0	0	111.6	V43 P44 K45 T46 A104	V43-E106 VanDerWaalsContact C-CD 3.48Å; V43-E106 VanDerWaalsContact CA-CD 3.44Å; V43-E106 VanDerWaalsContact CA-OE2 3.25Å; V43-E106 WeakPolarHBondContact CA-OE2 3.44Å; V43-E106 HydrophobicContact CB-CB 4.35Å; V43-E106 HydrophobicContact CB-CG 4.27Å; V43-E106 WeakPolarHBondContact CB-OE2 3.33Å; V43-E106 HydrophobicContact CG1-CB 3.97Å; V43-E106 HydrophobicContact CG1-CG 4.04Å; P44-E106 WeakPolarHBondContact CD-OE1 3.49Å; P44-E106 WeakPolarHBondContact CG-OE1 3.24Å; K45-E106 WeakPolarHBondContact CB-OE2 3.35Å; K45-E106 PolarHBondContact N-OE1 3.06Å; K45-E106 VanDerWaalsContact N-OE1 3.12Å; K45-E106 PolarHBondContact N-OE2 3.39Å; K45-E106 VanDerWaalsContact N-OE2 3.09Å; T46-E106 PolarHBondContact N-OE2 3.21Å; T46-E106 PolarHBondContact OG1-OE2 2.88Å; A104-E106 PolarHBondContact O-N 3.27Å
107	N	98.2	Very high	97.1	Very high	36 Å²	36	53 Å²	53	19%	0.193	31%	0.306	C	S	.	.			trans	-164.3	-178.4	165.7	64.9	65.6	0	0	0	110.3	I42 V43 E109	I42-N107 PolarHBondContact O-ND2 3.32Å; V43-N107 WeakPolarHBondContact CG1-ND2 3.25Å; N107-E109 HydrophobicContact CB-CG 4.38Å; N107-E109 PolarHBondContact OD1-N 3.38Å; N107-E109 VanDerWaalsContact OD1-N 3.1Å
108	F	98.2	Very high	97.2	Very high	52 Å²	52	51.9 Å²	51.9	23%	0.228	30%	0.3	C	S	.	.			trans	-130.7	34.8	177.6	-54.5	-72.2	0	0	0	112.1	D105 K111 V147	D105-F108 HydrophobicContact CB-CE1 4.21Å; D105-F108 HydrophobicContact CB-CE2 4.21Å; D105-F108 HydrophobicContact CB-CZ 3.61Å; F108-K111 PolarHBondContact O-NZ 3.2Å; F108-V147 HydrophobicContact CD1-CG2 4.47Å; F108-V147 HydrophobicContact CE1-CG2 4.06Å
109	E	98.2	Very high	97.3	Very high	143 Å²	143	46.7 Å²	46.7	67%	0.668	28%	0.28	S	S	*	.			trans	-64.2	-44.9	-178.3	-68.4	-175.1	-170.2	0	0	111.3	I42 N107	I42-E109 HydrophobicContact CG2-CB 4.28Å; N107-E109 HydrophobicContact CB-CG 4.38Å; N107-E109 PolarHBondContact OD1-N 3.38Å; N107-E109 VanDerWaalsContact OD1-N 3.1Å
110	V	98.3	Very high	97.7	Very high	30 Å²	30	43.3 Å²	43.3	18%	0.182	25%	0.245	C	C	.	.	S	Bend	trans	-82.4	138.1	177.9	-171.5	0	0	0	0	110.8	F39 I42 M117 V148	F39-V110 HydrophobicContact CD2-CG1 4.41Å; F39-V110 HydrophobicContact CD2-CG2 4.19Å; F39-V110 HydrophobicContact CE2-CG1 3.98Å; I42-V110 HydrophobicContact CD1-CG2 3.6Å; I42-V110 HydrophobicContact CG2-CG2 4.21Å; V110-M117 HydrophobicContact CG1-CE 3.67Å; V110-V148 HydrophobicContact CB-CB 3.96Å; V110-V148 HydrophobicContact CB-CG1 4.07Å; V110-V148 HydrophobicContact CG1-CB 3.97Å; V110-V148 HydrophobicContact CG1-CG1 3.55Å
111	K	98.3	Very high	98	Very high	88 Å²	88	42.5 Å²	42.5	38%	0.383	24%	0.235	S	C	.	.			trans	-108.4	160.2	-175.8	-54.8	-55.2	178.6	-170.3	0	112.3	F108 C113 D143	F108-K111 PolarHBondContact O-NZ 3.2Å; K111-C113 PolarHBondContact O-N 2.84Å; K111-D143 WeakPolarHBondContact CA-OD1 3.27Å; K111-D143 WeakPolarHBondContact CB-OD2 3.42Å; K111-D143 HydrophobicContact CD-CB 3.97Å; K111-D143 WeakPolarHBondContact CD-OD2 3.46Å
112	H	98.3	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-83.9	48.6	178.4	-57.9	81.6	0	0	0	112.3	T114 S119 F133 T135 P138 C139 D143 H146 V148	H112-T114 PolarHBondContact O-N 3.44Å; H112-S119 WeakPolarHBondContact NE2-CB 3.32Å; H112-S119 PolarHBondContact NE2-OG 3.22Å; H112-F133 AromaticContact CD2-CE2 3.82Å; H112-F133 AromaticContact CD2-CZ 3.99Å; H112-F133 AromaticContact NE2-CE2 3.85Å; H112-F133 AromaticContact NE2-CZ 3.52Å; H112-T135 HydrophobicContact CB-CG2 4.45Å; H112-P138 CarbonylContact O-C 3.5Å; H112-P138 WeakPolarHBondContact O-CA 3.16Å; H112-C139 HydrophobicContact CB-CB 3.9Å; H112-C139 PolarHBondContact O-N 3.43Å; H112-D143 IonicContact CE1-OD1 3.73Å; H112-D143 IonicContact CG-OD1 3.41Å; H112-D143 PolarHBondContact N-OD1 2.9Å; H112-D143 IonicContact ND1-OD1 3.6Å; H112-D143 PolarHBondContact ND1-OD1 2.91Å; H112-H146 PolarHBondContact CE1-O 3.32Å; H112-V148 WeakPolarHBondContact CE1-CG2 3.36Å; H112-V148 VanDerWaalsContact NE2-CG2 3.34Å; H112-V148 WeakPolarHBondContact NE2-CG2 3.45Å
113	C	95.5	Very high	97.9	Very high	73 Å²	73	41.1 Å²	41.1	49%	0.493	24%	0.236	S	C	.	.			trans	-80	-12.6	-165.9	57.8	0	0	0	0	115.4	K111 P138	K111-C113 PolarHBondContact O-N 2.84Å; C113-P138 WeakPolarHBondContact O-CG 3.4Å
114	T	96.2	Very high	97.8	Very high	71 Å²	71	41.5 Å²	41.5	44%	0.436	25%	0.247	S	C	.	.	S	Bend	trans	-143.4	167	-175.3	63.2	0	0	0	0	112.2	H112 M117 T135	H112-T114 PolarHBondContact O-N 3.44Å; T114-M117 WeakPolarHBondContact O-CG 3.49Å; T114-T135 PolarHBondContact O-OG1 3.21Å
115	C	97.5	Very high	97.8	Very high	41 Å²	41	48.2 Å²	48.2	28%	0.277	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	138.1	167.7	176.2	0	0	0	0	110.2	C136 M156	C115-C136 WeakPolarHBondContact CB-O 3.26Å; C115-C136 VanDerWaalsContact SG-C 3.59Å; C115-C136 PolarHBondContact SG-O 2.76Å; C115-M156 VanDerWaalsContact SG-SD 3.65Å
116	G	98.1	Very high	97.7	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.031	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	6.8	175.8	0	0	0	0	0	114.8	T135 R151 I152	G116-T135 PolarHBondContact N-O 2.74Å; G116-T135 PolarHBondContact N-OG1 2.91Å; G116-R151 CarbonylContact O-C 3.38Å; G116-R151 VanDerWaalsContact O-CA 3.3Å; G116-R151 WeakPolarHBondContact O-CA 3.41Å; G116-I152 PolarHBondContact O-N 2.94Å
117	M	98.6	Very high	97.7	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.054	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.4	171.6	-56.3	-57	-64.7	0	0	110.3	F39 V110 T114 I134 T135 V148 R151	F39-M117 HydrophobicContact CE2-CE 3.97Å; F39-M117 HydrophobicContact CZ-CE 4.28Å; V110-M117 HydrophobicContact CG1-CE 3.67Å; T114-M117 WeakPolarHBondContact O-CG 3.49Å; M117-I134 WeakPolarHBondContact O-CA 3.17Å; M117-T135 WeakPolarHBondContact CA-OG1 3.28Å; M117-T135 HydrophobicContact CB-CG2 4.33Å; M117-T135 WeakPolarHBondContact CB-OG1 3.34Å; M117-T135 PolarHBondContact N-OG1 3.1Å; M117-T135 PolarHBondContact O-N 3.49Å; M117-T135 PolarHBondContact O-OG1 2.98Å; M117-V148 HydrophobicContact CB-CG1 4.35Å; M117-V148 HydrophobicContact CE-CG1 3.41Å; M117-V148 VanDerWaalsContact CE-CG1 3.41Å; M117-R151 HydrophobicContact SD-CB 4.1Å
118	L	98.7	Very high	97.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.5	178.4	-179.4	67.9	0	0	0	109.4	F36 L38 F50 F132 I134 F149 G150	F36-L118 HydrophobicContact CB-CD2 4.27Å; F36-L118 HydrophobicContact CD1-CB 4.39Å; F36-L118 HydrophobicContact CD1-CD2 4Å; F36-L118 HydrophobicContact CE1-CD1 4.47Å; F36-L118 HydrophobicContact CG-CD2 4.24Å; L38-L118 HydrophobicContact CD2-CD2 3.81Å; F50-L118 HydrophobicContact CD1-CD2 4.49Å; F50-L118 HydrophobicContact CE1-CD2 3.89Å; F50-L118 HydrophobicContact CE2-CD1 4.35Å; F50-L118 HydrophobicContact CE2-CD2 4.33Å; F50-L118 HydrophobicContact CZ-CD1 4.22Å; F50-L118 HydrophobicContact CZ-CD2 3.8Å; L118-F132 HydrophobicContact CD1-CB 4.33Å; L118-F132 HydrophobicContact CD1-CD2 3.52Å; L118-F132 HydrophobicContact CD1-CE2 4.16Å; L118-F132 HydrophobicContact CD1-CG 4.2Å; L118-I134 HydrophobicContact CD1-CG1 3.76Å; L118-F149 HydrophobicContact CD1-CE2 4.48Å; L118-F149 HydrophobicContact CD1-CZ 3.99Å; L118-F149 HydrophobicContact CD2-CD2 4.04Å; L118-F149 HydrophobicContact CD2-CE2 3.29Å; L118-F149 HydrophobicContact CD2-CZ 3.65Å; L118-F149 HydrophobicContact CG-CD2 4.31Å; L118-F149 HydrophobicContact CG-CE1 4Å; L118-F149 HydrophobicContact CG-CE2 3.58Å; L118-F149 HydrophobicContact CG-CZ 3.41Å; L118-F149 VanDerWaalsContact CG-CZ 3.41Å; L118-F149 PolarHBondContact O-N 3.44Å; L118-G150 PolarHBondContact N-O 2.8Å; L118-G150 PolarHBondContact O-N 2.84Å
119	S	98.9	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.8	-168	-172.9	0	0	0	0	112.6	H112 F132 F133 H146 V147 F149	H112-S119 WeakPolarHBondContact NE2-CB 3.32Å; H112-S119 PolarHBondContact NE2-OG 3.22Å; S119-F132 CarbonylContact O-C 3.48Å; S119-F132 VanDerWaalsContact O-CA 3.25Å; S119-F132 WeakPolarHBondContact O-CA 3.47Å; S119-F132 WeakPolarHBondContact O-CB 3.3Å; S119-F133 PolarHBondContact N-O 2.79Å; S119-F133 PolarHBondContact O-N 2.93Å; S119-F133 WeakPolarHBondContact OG-CZ 3.47Å; S119-H146 WeakPolarHBondContact OG-CB 3.29Å; S119-V147 CarbonylContact C-O 3.59Å; S119-V147 WeakPolarHBondContact CA-O 3.47Å; S119-V147 PolarHBondContact OG-O 2.84Å; S119-F149 VanDerWaalsContact C-CE1 3.42Å
120	M	98.8	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.9	-177.6	-67.6	-52.8	-59.2	0	0	111.4	T46 F103 N128 G129 Q131 F133 H146 V147 F149	T46-M120 HydrophobicContact CG2-CG 3.51Å; T46-M120 HydrophobicContact CG2-SD 3.78Å; F103-M120 HydrophobicContact CE1-CE 4.13Å; F103-M120 HydrophobicContact CZ-CE 4.03Å; F103-M120 HydrophobicContact CZ-SD 4.47Å; M120-N128 HydrophobicContact CB-CB 4.34Å; M120-N128 WeakPolarHBondContact CB-OD1 3.49Å; M120-N128 HydrophobicContact CE-CB 4.07Å; M120-N128 HydrophobicContact CG-CB 4.3Å; M120-G129 WeakPolarHBondContact CE-O 3.47Å; M120-Q131 WeakPolarHBondContact CE-O 3.34Å; M120-F133 WeakPolarHBondContact O-CE1 3.48Å; M120-H146 PolarHBondContact O-ND1 3.41Å; M120-V147 HydrophobicContact CB-CB 4.46Å; M120-V147 HydrophobicContact CG-CB 4.19Å; M120-V147 PolarHBondContact N-O 2.99Å; M120-F149 HydrophobicContact CG-CD1 3.76Å; M120-F149 HydrophobicContact CG-CE1 3.86Å; M120-F149 HydrophobicContact SD-CD1 3.67Å; M120-F149 HydrophobicContact SD-CE1 3.28Å; M120-F149 WeakPolarHBondContact SD-CE1 3.26Å; M120-F149 HydrophobicContact SD-CZ 3.95Å
121	A	98.5	Very high	97.8	Very high	13 Å²	13	37.5 Å²	37.5	11%	0.107	21%	0.211	C	C	.	.			trans	-81.6	130	164.7	0	0	0	0	0	108.5	Q82 Q131 F133	Q82-A121 HydrophobicContact CG-CB 4.45Å; A121-Q131 HydrophobicContact CB-CB 3.77Å; A121-Q131 PolarHBondContact N-O 3.17Å; A121-F133 HydrophobicContact CB-CD1 4.2Å
122	N	97.7	Very high	97.8	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	19%	0.193	C	C	.	.			trans	-139.2	168.4	-179.7	68.9	32.5	0	0	0	110.5	G124 T127 N128 K145 H146	N122-G124 PolarHBondContact OD1-N 3.25Å; N122-G124 PolarHBondContact OD1-O 2.87Å; N122-T127 WeakPolarHBondContact CB-OG1 3.38Å; N122-N128 PolarHBondContact ND2-OD1 2.92Å; N122-K145 PolarHBondContact ND2-O 2.89Å; N122-H146 PolarHBondContact OD1-CE1 2.91Å; N122-H146 PolarHBondContact OD1-ND1 3.31Å
123	S	95.6	Very high	97.8	Very high	111 Å²	111	33.7 Å²	33.7	78%	0.776	20%	0.195	S	C	*	.	S	Bend	trans	-103.9	21.3	177.6	-60	0	0	0	0	112.3	T127	S123-T127 WeakPolarHBondContact CA-OG1 3.35Å; S123-T127 PolarHBondContact N-OG1 2.95Å
124	G	95.8	Very high	98	Very high	32 Å²	32	30.2 Å²	30.2	33%	0.33	17%	0.171	S	C	.	.	S	Bend	trans	131.4	178.4	-169.3	0	0	0	0	0	112.1	N122 D126 T127	N122-G124 PolarHBondContact OD1-N 3.25Å; N122-G124 PolarHBondContact OD1-O 2.87Å; G124-D126 PolarHBondContact O-N 2.84Å; G124-T127 PolarHBondContact N-OG1 2.95Å; G124-T127 VanDerWaalsContact N-OG1 3.13Å; G124-T127 PolarHBondContact O-N 2.84Å; G124-T127 PolarHBondContact O-OG1 2.84Å
125	R	97.5	Very high	98.1	Very high	198 Å²	198	26.9 Å²	26.9	75%	0.747	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	136.7	178.4	176.7	-178.1	-66.8	-137	-2.1	111	D105 T127	D105-R125 WeakPolarHBondContact OD2-CA 3.34Å; R125-T127 VanDerWaalsContact C-N 3.26Å; R125-T127 WeakPolarHBondContact O-CG2 3.18Å; R125-T127 PolarHBondContact O-N 2.76Å
126	D	97.8	Very high	98.2	Very high	75 Å²	75	25.1 Å²	25.1	40%	0.401	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	29.4	174	-58.5	-39.9	0	0	0	114.8	F103 A104 D105 G124	F103-D126 CarbonylContact O-C 3.53Å; A104-D126 WeakPolarHBondContact CA-OD1 3.47Å; A104-D126 HydrophobicContact CB-CB 4.18Å; A104-D126 WeakPolarHBondContact CB-OD1 3.34Å; D105-D126 PolarHBondContact N-OD1 3.49Å; D105-D126 PolarHBondContact OD2-N 2.78Å; G124-D126 PolarHBondContact O-N 2.84Å
127	T	98.3	Very high	98.2	Very high	26 Å²	26	26.1 Å²	26.1	16%	0.16	15%	0.147	C	C	.	.			trans	-120	32.2	-178.7	64.8	0	0	0	0	113.9	Q102 N122 S123 G124 R125	Q102-T127 VanDerWaalsContact CD-CB 3.44Å; N122-T127 WeakPolarHBondContact CB-OG1 3.38Å; S123-T127 WeakPolarHBondContact CA-OG1 3.35Å; S123-T127 PolarHBondContact N-OG1 2.95Å; G124-T127 PolarHBondContact N-OG1 2.95Å; G124-T127 VanDerWaalsContact N-OG1 3.13Å; G124-T127 PolarHBondContact O-N 2.84Å; G124-T127 PolarHBondContact O-OG1 2.84Å; R125-T127 VanDerWaalsContact C-N 3.26Å; R125-T127 WeakPolarHBondContact O-CG2 3.18Å; R125-T127 PolarHBondContact O-N 2.76Å
128	N	98.6	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-69.8	141.5	178.1	-59.7	-57.9	0	0	0	110.6	Q102 F103 A104 D105 M120 N122	Q102-N128 CarbonylContact C-O 3.59Å; Q102-N128 WeakPolarHBondContact CA-O 3.45Å; F103-N128 HydrophobicContact CD1-CB 3.88Å; F103-N128 WeakPolarHBondContact CD1-O 3.43Å; F103-N128 HydrophobicContact CD2-CB 4.1Å; F103-N128 HydrophobicContact CE1-CB 3.5Å; F103-N128 VanDerWaalsContact CE1-CB 3.5Å; F103-N128 WeakPolarHBondContact CE1-O 3.33Å; F103-N128 HydrophobicContact CE2-CB 3.74Å; F103-N128 HydrophobicContact CG-CB 4.18Å; F103-N128 HydrophobicContact CZ-CB 3.43Å; F103-N128 VanDerWaalsContact CZ-CB 3.43Å; F103-N128 PolarHBondContact N-O 2.83Å; F103-N128 WeakPolarHBondContact O-CB 3.31Å; F103-N128 PolarHBondContact O-N 3.37Å; A104-N128 PolarHBondContact O-ND2 3.49Å; D105-N128 WeakPolarHBondContact CA-ND2 3.43Å; D105-N128 PolarHBondContact N-ND2 2.87Å; D105-N128 PolarHBondContact OD1-ND2 3.21Å; M120-N128 HydrophobicContact CB-CB 4.34Å; M120-N128 WeakPolarHBondContact CB-OD1 3.49Å; M120-N128 HydrophobicContact CE-CB 4.07Å; M120-N128 HydrophobicContact CG-CB 4.3Å; N122-N128 PolarHBondContact ND2-OD1 2.92Å
129	G	98.2	Very high	98.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	17%	0.17	C	C	.	.			trans	-135.9	-128.9	-179.1	0	0	0	0	0	112.4	N49 S94 F95 F103 M120	N49-G129 PolarHBondContact ND2-O 3.44Å; S94-G129 WeakPolarHBondContact OG-CA 3.41Å; F95-G129 CarbonylContact O-C 3.45Å; F103-G129 WeakPolarHBondContact CE1-O 3.4Å; M120-G129 WeakPolarHBondContact CE-O 3.47Å
130	C	98.2	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-96.6	-12.8	174.7	53.6	0	0	0	0	112.5	F53 Y67 G84 F86 F95	F53-C130 HydrophobicContact CD2-CB 4.19Å; F53-C130 HydrophobicContact CE2-CB 3.83Å; F53-C130 HydrophobicContact CZ-CB 4.44Å; Y67-C130 VanDerWaalsContact CE1-O 3.29Å; Y67-C130 WeakPolarHBondContact CE1-O 3.18Å; Y67-C130 PolarHBondContact OH-O 3.12Å; G84-C130 WeakPolarHBondContact CA-O 3.32Å; G84-C130 PolarHBondContact O-SG 2.88Å; F86-C130 HydrophobicContact CD1-CB 4.03Å; F86-C130 HydrophobicContact CE1-CB 3.24Å; F86-C130 HydrophobicContact CZ-CB 3.52Å; F95-C130 PolarHBondContact N-SG 3.3Å; F95-C130 WeakPolarHBondContact O-CB 3.5Å; F95-C130 PolarHBondContact O-N 2.72Å
131	Q	98.8	Very high	97.9	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.075	22%	0.221	C	C	.	.			trans	-80.4	142.7	-178.2	-67.1	-168	58	0	0	111.7	H73 G83 D85 G91 G93 M120 A121	H73-Q131 PolarHBondContact CE1-OE1 3.39Å; H73-Q131 VanDerWaalsContact CE1-OE1 3.25Å; H73-Q131 PolarHBondContact NE2-OE1 3.34Å; G83-Q131 WeakPolarHBondContact O-CA 3.07Å; D85-Q131 HydrophobicContact CB-CG 3.93Å; G91-Q131 PolarHBondContact O-NE2 3.27Å; G93-Q131 PolarHBondContact O-NE2 3.03Å; M120-Q131 WeakPolarHBondContact CE-O 3.34Å; A121-Q131 HydrophobicContact CB-CB 3.77Å; A121-Q131 PolarHBondContact N-O 3.17Å
132	F	98.9	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.4	179.7	65.7	-88.6	0	0	0	109.9	F22 F50 Y67 F72 Q82 G83 L118 S119 I134 F149 I179	F22-F132 HydrophobicContact CD2-CZ 4.48Å; F22-F132 HydrophobicContact CE2-CE1 4.28Å; F22-F132 AromaticContact CE2-CE2 3.83Å; F22-F132 HydrophobicContact CE2-CE2 3.83Å; F22-F132 AromaticContact CE2-CZ 3.45Å; F22-F132 HydrophobicContact CE2-CZ 3.45Å; F22-F132 VanDerWaalsContact CE2-CZ 3.45Å; F22-F132 HydrophobicContact CZ-CE1 4.28Å; F22-F132 AromaticContact CZ-CZ 3.89Å; F22-F132 HydrophobicContact CZ-CZ 3.89Å; F50-F132 HydrophobicContact CD2-CD1 4.3Å; F50-F132 HydrophobicContact CD2-CG 4.5Å; F50-F132 HydrophobicContact CE2-CB 4.1Å; F50-F132 AromaticContact CE2-CD1 3.52Å; F50-F132 HydrophobicContact CE2-CD1 3.52Å; F50-F132 HydrophobicContact CE2-CD2 4.19Å; F50-F132 AromaticContact CE2-CE1 3.89Å; F50-F132 HydrophobicContact CE2-CE1 3.89Å; F50-F132 AromaticContact CE2-CG 3.67Å; F50-F132 HydrophobicContact CE2-CG 3.67Å; F50-F132 HydrophobicContact CE2-CZ 4.39Å; F50-F132 HydrophobicContact CZ-CD1 4.46Å; F50-F132 HydrophobicContact CZ-CE1 4.48Å; Y67-F132 HydrophobicContact CD1-CE1 4.07Å; Y67-F132 HydrophobicContact CE1-CD1 4.07Å; Y67-F132 AromaticContact CE1-CE1 3.87Å; Y67-F132 HydrophobicContact CE1-CE1 3.87Å; Y67-F132 HydrophobicContact CE2-CE1 4.44Å; Y67-F132 HydrophobicContact CG-CE1 4.46Å; F72-F132 AromaticContact CE1-CE2 3.84Å; F72-F132 HydrophobicContact CE1-CE2 3.84Å; F72-F132 HydrophobicContact CE1-CZ 4.02Å; Q82-F132 WeakPolarHBondContact CA-O 3.25Å; Q82-F132 WeakPolarHBondContact CG-O 3.5Å; G83-F132 PolarHBondContact N-O 2.7Å; G83-F132 PolarHBondContact O-N 2.78Å; L118-F132 HydrophobicContact CD1-CB 4.33Å; L118-F132 HydrophobicContact CD1-CD2 3.52Å; L118-F132 HydrophobicContact CD1-CE2 4.16Å; L118-F132 HydrophobicContact CD1-CG 4.2Å; S119-F132 CarbonylContact O-C 3.48Å; S119-F132 VanDerWaalsContact O-CA 3.25Å; S119-F132 WeakPolarHBondContact O-CA 3.47Å; S119-F132 WeakPolarHBondContact O-CB 3.3Å; F132-I134 HydrophobicContact CD2-CG1 4.38Å; F132-I134 HydrophobicContact CE2-CD1 4.32Å; F132-I134 HydrophobicContact CE2-CG1 4.3Å; F132-F149 HydrophobicContact CB-CE1 4.33Å; F132-F149 HydrophobicContact CB-CZ 4.15Å; F132-I179 HydrophobicContact CZ-CD1 4.16Å
133	F	98.8	Very high	97.9	Very high	8 Å²	8	41 Å²	41	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.9	166.3	63.9	-90.8	0	0	0	111.6	M80 V81 Q82 H112 S119 M120 A121 T135 L142 H146	M80-F133 HydrophobicContact CB-CB 4.25Å; M80-F133 HydrophobicContact CB-CD2 4.09Å; M80-F133 HydrophobicContact CG-CB 4.45Å; M80-F133 HydrophobicContact SD-CB 4.08Å; V81-F133 CarbonylContact O-C 3.5Å; V81-F133 WeakPolarHBondContact O-CA 3.48Å; V81-F133 WeakPolarHBondContact O-CB 3.49Å; Q82-F133 HydrophobicContact CB-CB 4.08Å; H112-F133 AromaticContact CD2-CE2 3.82Å; H112-F133 AromaticContact CD2-CZ 3.99Å; H112-F133 AromaticContact NE2-CE2 3.85Å; H112-F133 AromaticContact NE2-CZ 3.52Å; S119-F133 PolarHBondContact N-O 2.79Å; S119-F133 PolarHBondContact O-N 2.93Å; S119-F133 WeakPolarHBondContact OG-CZ 3.47Å; M120-F133 WeakPolarHBondContact O-CE1 3.48Å; A121-F133 HydrophobicContact CB-CD1 4.2Å; F133-T135 HydrophobicContact CD2-CG2 4.14Å; F133-T135 HydrophobicContact CE2-CG2 3.84Å; F133-L142 HydrophobicContact CE2-CD1 3.62Å; F133-L142 HydrophobicContact CZ-CD1 3.55Å; F133-H146 HydrophobicContact CE1-CB 4.02Å; F133-H146 AromaticContact CE1-CG 3.88Å; F133-H146 AromaticContact CE1-ND1 3.85Å; F133-H146 HydrophobicContact CZ-CB 3.94Å
134	I	98.8	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.3	170.8	-50.4	159.8	0	0	0	107	M34 F36 F72 M80 V81 M117 L118 F132 I152 L159	M34-I134 HydrophobicContact CE-CD1 4.08Å; M34-I134 HydrophobicContact SD-CD1 4.34Å; F36-I134 HydrophobicContact CE1-CD1 3.62Å; F36-I134 HydrophobicContact CE1-CG1 4.04Å; F36-I134 HydrophobicContact CZ-CD1 3.65Å; F72-I134 HydrophobicContact CE1-CD1 4.23Å; M80-I134 CarbonylContact C-O 3.57Å; M80-I134 VanDerWaalsContact CA-O 3.25Å; M80-I134 WeakPolarHBondContact CA-O 3.5Å; V81-I134 HydrophobicContact CG2-CB 3.76Å; V81-I134 HydrophobicContact CG2-CD1 4.02Å; V81-I134 HydrophobicContact CG2-CG1 4.25Å; V81-I134 PolarHBondContact N-O 3.44Å; V81-I134 PolarHBondContact O-N 3.44Å; M117-I134 WeakPolarHBondContact O-CA 3.17Å; L118-I134 HydrophobicContact CD1-CG1 3.76Å; F132-I134 HydrophobicContact CD2-CG1 4.38Å; F132-I134 HydrophobicContact CE2-CD1 4.32Å; F132-I134 HydrophobicContact CE2-CG1 4.3Å; I134-I152 HydrophobicContact CG2-CD1 3.88Å; I134-I152 HydrophobicContact CG2-CG1 4.49Å; I134-L159 HydrophobicContact CB-CD1 4.11Å; I134-L159 HydrophobicContact CD1-CD1 4.48Å; I134-L159 HydrophobicContact CG2-CD1 3.92Å; I134-L159 HydrophobicContact CG2-CD2 3.67Å; I134-L159 HydrophobicContact CG2-CG 4.44Å
135	T	98.8	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.9	179.3	51.6	0	0	0	0	111.5	H112 T114 G116 M117 F133 C139 L159	H112-T135 HydrophobicContact CB-CG2 4.45Å; T114-T135 PolarHBondContact O-OG1 3.21Å; G116-T135 PolarHBondContact N-O 2.74Å; G116-T135 PolarHBondContact N-OG1 2.91Å; M117-T135 WeakPolarHBondContact CA-OG1 3.28Å; M117-T135 HydrophobicContact CB-CG2 4.33Å; M117-T135 WeakPolarHBondContact CB-OG1 3.34Å; M117-T135 PolarHBondContact N-OG1 3.1Å; M117-T135 PolarHBondContact O-N 3.49Å; M117-T135 PolarHBondContact O-OG1 2.98Å; F133-T135 HydrophobicContact CD2-CG2 4.14Å; F133-T135 HydrophobicContact CE2-CG2 3.84Å; T135-C139 HydrophobicContact CG2-CB 4.22Å; T135-L159 WeakPolarHBondContact O-CD2 3.49Å
136	C	98.4	Very high	98.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.027	19%	0.185	C	C	.	.	S	Bend	trans	-103.3	-11	176.1	-60.3	0	0	0	0	113.2	F79 C115 K160 E163	F79-C136 PolarHBondContact O-N 2.84Å; C115-C136 WeakPolarHBondContact CB-O 3.26Å; C115-C136 VanDerWaalsContact SG-C 3.59Å; C115-C136 PolarHBondContact SG-O 2.76Å; C136-K160 PolarHBondContact O-NZ 2.67Å; C136-E163 WeakPolarHBondContact CB-OE2 3.5Å
137	A	97.7	Very high	98.2	Very high	25 Å²	25	30.1 Å²	30.1	21%	0.207	17%	0.166	C	C	.	.	S	Bend	trans	-153.9	168.5	176.3	0	0	0	0	0	109.1	D78 C139	D78-A137 WeakPolarHBondContact O-CB 3.46Å; A137-C139 PolarHBondContact O-N 3.02Å; A137-C139 PolarHBondContact O-SG 3.41Å
138	P	97.9	Very high	98.3	Very high	80 Å²	80	29 Å²	29	52%	0.519	16%	0.16	S	C	.	.			trans	-55.7	134.9	171.1	-23.5	34.1	0	0	0	112	H112 C113	H112-P138 CarbonylContact O-C 3.5Å; H112-P138 WeakPolarHBondContact O-CA 3.16Å; C113-P138 WeakPolarHBondContact O-CG 3.4Å
139	C	97.3	Very high	98.3	Very high	2 Å²	2	29 Å²	29	1%	0.014	16%	0.16	C	C	.	.			trans	-132.7	47.3	-172.7	-62.9	0	0	0	0	112.4	F79 H112 T135 A137 F141 L142	F79-C139 VanDerWaalsContact CD2-SG 3.56Å; F79-C139 HydrophobicContact CE2-CB 4.43Å; H112-C139 HydrophobicContact CB-CB 3.9Å; H112-C139 PolarHBondContact O-N 3.43Å; T135-C139 HydrophobicContact CG2-CB 4.22Å; A137-C139 PolarHBondContact O-N 3.02Å; A137-C139 PolarHBondContact O-SG 3.41Å; C139-F141 HydrophobicContact CB-CE1 4.11Å; C139-F141 HydrophobicContact CB-CZ 4.26Å; C139-F141 PolarHBondContact O-N 3.04Å; C139-L142 HydrophobicContact CB-CD1 3.83Å; C139-L142 HydrophobicContact CB-CG 4.11Å; C139-L142 WeakPolarHBondContact O-CB 3.3Å; C139-L142 PolarHBondContact O-N 2.78Å
140	D	97.1	Very high	98.3	Very high	100 Å²	100	29 Å²	29	54%	0.535	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-54	-24.9	-173.2	-54	-13	0	0	0	114.3	L142 D143	D140-L142 PolarHBondContact O-N 2.83Å; D140-L142 VanDerWaalsContact O-N 3.16Å; D140-D143 VanDerWaalsContact O-CB 3.26Å; D140-D143 WeakPolarHBondContact O-CB 3.28Å; D140-D143 PolarHBondContact O-N 3.04Å
141	F	97.9	Very high	98.3	Very high	125 Å²	125	31.9 Å²	31.9	55%	0.548	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.9	-13	175.5	60.5	-91.4	0	0	0	114.4	F79 C139 K145	F79-F141 AromaticContact CD2-CZ 3.91Å; F79-F141 HydrophobicContact CD2-CZ 3.91Å; F79-F141 HydrophobicContact CE2-CE1 4.49Å; F79-F141 AromaticContact CE2-CE2 3.81Å; F79-F141 HydrophobicContact CE2-CE2 3.81Å; F79-F141 AromaticContact CE2-CZ 3.39Å; F79-F141 HydrophobicContact CE2-CZ 3.39Å; F79-F141 AromaticContact CZ-CE2 3.97Å; F79-F141 HydrophobicContact CZ-CE2 3.97Å; F79-F141 AromaticContact CZ-CZ 3.94Å; F79-F141 HydrophobicContact CZ-CZ 3.94Å; C139-F141 HydrophobicContact CB-CE1 4.11Å; C139-F141 HydrophobicContact CB-CZ 4.26Å; C139-F141 PolarHBondContact O-N 3.04Å; F141-K145 PolarHBondContact O-NZ 2.9Å
142	L	98.1	Very high	98.3	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.094	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-91	-10.4	173.2	-59.6	-175.4	0	0	0	113.1	F79 F133 C139 D140 K145 H146	F79-L142 HydrophobicContact CE2-CD1 3.89Å; F79-L142 HydrophobicContact CZ-CD1 4.23Å; F133-L142 HydrophobicContact CE2-CD1 3.62Å; F133-L142 HydrophobicContact CZ-CD1 3.55Å; C139-L142 HydrophobicContact CB-CD1 3.83Å; C139-L142 HydrophobicContact CB-CG 4.11Å; C139-L142 WeakPolarHBondContact O-CB 3.3Å; C139-L142 PolarHBondContact O-N 2.78Å; D140-L142 PolarHBondContact O-N 2.83Å; D140-L142 VanDerWaalsContact O-N 3.16Å; L142-K145 WeakPolarHBondContact O-CB 3.32Å; L142-K145 PolarHBondContact O-N 2.92Å; L142-H146 PolarHBondContact O-N 2.86Å
143	D	98	Very high	98.2	Very high	41 Å²	41	32.6 Å²	32.6	22%	0.219	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	140.7	-180	-68.6	-19.9	0	0	0	111.8	K111 H112 D140 K145	K111-D143 WeakPolarHBondContact CA-OD1 3.27Å; K111-D143 WeakPolarHBondContact CB-OD2 3.42Å; K111-D143 HydrophobicContact CD-CB 3.97Å; K111-D143 WeakPolarHBondContact CD-OD2 3.46Å; H112-D143 IonicContact CE1-OD1 3.73Å; H112-D143 IonicContact CG-OD1 3.41Å; H112-D143 PolarHBondContact N-OD1 2.9Å; H112-D143 IonicContact ND1-OD1 3.6Å; H112-D143 PolarHBondContact ND1-OD1 2.91Å; D140-D143 VanDerWaalsContact O-CB 3.26Å; D140-D143 WeakPolarHBondContact O-CB 3.28Å; D140-D143 PolarHBondContact O-N 3.04Å; D143-K145 PolarHBondContact O-N 3.44Å
144	G	97.8	Very high	98.1	Very high	38 Å²	38	34.7 Å²	34.7	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	7.8	-176.2	0	0	0	0	0	114.4
145	K	98.3	Very high	98	Very high	119 Å²	119	35.3 Å²	35.3	52%	0.517	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-32.6	-179.5	-58.2	172.4	-171.4	161.2	0	113.2	N122 F141 L142 D143	N122-K145 PolarHBondContact ND2-O 2.89Å; F141-K145 PolarHBondContact O-NZ 2.9Å; L142-K145 WeakPolarHBondContact O-CB 3.32Å; L142-K145 PolarHBondContact O-N 2.92Å; D143-K145 PolarHBondContact O-N 3.44Å
146	H	98.7	Very high	97.9	Very high	29 Å²	29	38.3 Å²	38.3	13%	0.134	21%	0.207	C	C	.	.	S	Bend	trans	-123.6	130.8	-179.8	-62.6	-82.2	0	0	0	109.8	H112 S119 M120 N122 F133 L142 V148	H112-H146 PolarHBondContact CE1-O 3.32Å; S119-H146 WeakPolarHBondContact OG-CB 3.29Å; M120-H146 PolarHBondContact O-ND1 3.41Å; N122-H146 PolarHBondContact OD1-CE1 2.91Å; N122-H146 PolarHBondContact OD1-ND1 3.31Å; F133-H146 HydrophobicContact CE1-CB 4.02Å; F133-H146 AromaticContact CE1-CG 3.88Å; F133-H146 AromaticContact CE1-ND1 3.85Å; F133-H146 HydrophobicContact CZ-CB 3.94Å; L142-H146 PolarHBondContact O-N 2.86Å; H146-V148 PolarHBondContact O-N 2.78Å
147	V	98.8	Very high	97.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.			trans	-75.5	113.6	179.8	-177.4	0	0	0	0	109	V43 T46 D105 F108 S119 M120	V43-V147 HydrophobicContact CB-CG1 4.37Å; V43-V147 HydrophobicContact CG1-CG1 3.91Å; V43-V147 HydrophobicContact CG2-CG1 4.42Å; T46-V147 HydrophobicContact CG2-CB 4.44Å; T46-V147 HydrophobicContact CG2-CG1 3.96Å; D105-V147 HydrophobicContact CB-CG2 3.94Å; F108-V147 HydrophobicContact CD1-CG2 4.47Å; F108-V147 HydrophobicContact CE1-CG2 4.06Å; S119-V147 CarbonylContact C-O 3.59Å; S119-V147 WeakPolarHBondContact CA-O 3.47Å; S119-V147 PolarHBondContact OG-O 2.84Å; M120-V147 HydrophobicContact CB-CB 4.46Å; M120-V147 HydrophobicContact CG-CB 4.19Å; M120-V147 PolarHBondContact N-O 2.99Å
148	V	98.8	Very high	97.9	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.9	170.2	-179.8	0	0	0	0	108.5	F39 V110 H112 M117 H146	F39-V148 HydrophobicContact CE2-CG1 4.12Å; V110-V148 HydrophobicContact CB-CB 3.96Å; V110-V148 HydrophobicContact CB-CG1 4.07Å; V110-V148 HydrophobicContact CG1-CB 3.97Å; V110-V148 HydrophobicContact CG1-CG1 3.55Å; H112-V148 WeakPolarHBondContact CE1-CG2 3.36Å; H112-V148 VanDerWaalsContact NE2-CG2 3.34Å; H112-V148 WeakPolarHBondContact NE2-CG2 3.45Å; M117-V148 HydrophobicContact CB-CG1 4.35Å; M117-V148 HydrophobicContact CE-CG1 3.41Å; M117-V148 VanDerWaalsContact CE-CG1 3.41Å; H146-V148 PolarHBondContact O-N 2.78Å
149	F	98.7	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	4.8	-172.5	68.3	-90.9	0	0	0	113.8	L38 F39 V43 T46 V47 F50 L118 S119 M120 F132	L38-F149 CarbonylContact C-O 3.59Å; L38-F149 WeakPolarHBondContact CA-O 3.41Å; L38-F149 HydrophobicContact CD2-CD2 4.3Å; L38-F149 HydrophobicContact CD2-CE2 4.27Å; F39-F149 PolarHBondContact N-O 2.95Å; V43-F149 HydrophobicContact CG2-CB 3.61Å; T46-F149 HydrophobicContact CG2-CB 3.63Å; T46-F149 HydrophobicContact CG2-CD1 3.87Å; T46-F149 HydrophobicContact CG2-CG 3.81Å; V47-F149 HydrophobicContact CG2-CB 4.28Å; F50-F149 HydrophobicContact CB-CD2 4.26Å; F50-F149 HydrophobicContact CB-CE2 3.61Å; F50-F149 HydrophobicContact CB-CZ 4.15Å; F50-F149 AromaticContact CD1-CE2 3.73Å; F50-F149 HydrophobicContact CD1-CE2 3.73Å; F50-F149 HydrophobicContact CD1-CZ 4.42Å; F50-F149 AromaticContact CD2-CE2 3.44Å; F50-F149 HydrophobicContact CD2-CE2 3.44Å; F50-F149 VanDerWaalsContact CD2-CE2 3.44Å; F50-F149 AromaticContact CD2-CZ 3.32Å; F50-F149 HydrophobicContact CD2-CZ 3.32Å; F50-F149 HydrophobicContact CE1-CE2 4.18Å; F50-F149 AromaticContact CE2-CE2 3.94Å; F50-F149 HydrophobicContact CE2-CE2 3.94Å; F50-F149 AromaticContact CE2-CZ 3.68Å; F50-F149 HydrophobicContact CE2-CZ 3.68Å; F50-F149 HydrophobicContact CG-CD2 4.35Å; F50-F149 AromaticContact CG-CE2 3.32Å; F50-F149 HydrophobicContact CG-CE2 3.32Å; F50-F149 AromaticContact CG-CZ 3.74Å; F50-F149 HydrophobicContact CG-CZ 3.74Å; F50-F149 HydrophobicContact CZ-CE2 4.27Å; F50-F149 HydrophobicContact CZ-CZ 4.35Å; L118-F149 HydrophobicContact CD1-CE2 4.48Å; L118-F149 HydrophobicContact CD1-CZ 3.99Å; L118-F149 HydrophobicContact CD2-CD2 4.04Å; L118-F149 HydrophobicContact CD2-CE2 3.29Å; L118-F149 HydrophobicContact CD2-CZ 3.65Å; L118-F149 HydrophobicContact CG-CD2 4.31Å; L118-F149 HydrophobicContact CG-CE1 4Å; L118-F149 HydrophobicContact CG-CE2 3.58Å; L118-F149 HydrophobicContact CG-CZ 3.41Å; L118-F149 VanDerWaalsContact CG-CZ 3.41Å; L118-F149 PolarHBondContact O-N 3.44Å; S119-F149 VanDerWaalsContact C-CE1 3.42Å; M120-F149 HydrophobicContact CG-CD1 3.76Å; M120-F149 HydrophobicContact CG-CE1 3.86Å; M120-F149 HydrophobicContact SD-CD1 3.67Å; M120-F149 HydrophobicContact SD-CE1 3.28Å; M120-F149 WeakPolarHBondContact SD-CE1 3.26Å; M120-F149 HydrophobicContact SD-CZ 3.95Å; F132-F149 HydrophobicContact CB-CE1 4.33Å; F132-F149 HydrophobicContact CB-CZ 4.15Å
150	G	98.6	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-174.4	173.6	0	0	0	0	0	113.7	E37 F39 L118	E37-G150 CarbonylContact O-C 3.58Å; E37-G150 WeakPolarHBondContact O-CA 3.5Å; F39-G150 VanDerWaalsContact CE2-C 3.47Å; F39-G150 VanDerWaalsContact CE2-CA 3.49Å; F39-G150 WeakPolarHBondContact CE2-O 3.47Å; L118-G150 PolarHBondContact N-O 2.8Å; L118-G150 PolarHBondContact O-N 2.84Å
151	R	98.3	Very high	98.1	Very high	61 Å²	61	44 Å²	44	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.6	173.6	67.5	178	-176.1	-177.1	1.9	112.1	R11 M12 N13 F36 E37 F39 G116 M117 V153	R11-R151 PolarHBondContact O-NH2 3.3Å; M12-R151 VanDerWaalsContact C-NH2 3.31Å; N13-R151 PolarHBondContact ND2-NH1 3.12Å; N13-R151 PolarHBondContact OD1-NH1 3.24Å; N13-R151 PolarHBondContact OD1-NH2 2.93Å; F36-R151 CarbonylContact C-O 3.58Å; F36-R151 WeakPolarHBondContact CA-O 3.41Å; E37-R151 HydrophobicContact CB-CG 4.35Å; E37-R151 PolarHBondContact N-O 3.09Å; E37-R151 PolarHBondContact O-N 2.87Å; E37-R151 IonicContact OE2-CZ 3.7Å; E37-R151 IonicContact OE2-NE 3.23Å; E37-R151 PolarHBondContact OE2-NE 3.22Å; E37-R151 IonicContact OE2-NH2 3.62Å; E37-R151 PolarHBondContact OE2-NH2 3.43Å; F39-R151 HydrophobicContact CE1-CG 3.94Å; F39-R151 HydrophobicContact CZ-CB 3.86Å; F39-R151 HydrophobicContact CZ-CG 3.72Å; G116-R151 CarbonylContact O-C 3.38Å; G116-R151 VanDerWaalsContact O-CA 3.3Å; G116-R151 WeakPolarHBondContact O-CA 3.41Å; M117-R151 HydrophobicContact SD-CB 4.1Å; R151-V153 HydrophobicContact CG-CG1 4.42Å; R151-V153 PolarHBondContact O-N 2.76Å
152	I	97.8	Very high	98.1	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.108	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127	168.2	-69.3	175.4	0	0	0	110.4	M34 Q35 F36 G116 I134 D154 M156 L159	M34-I152 HydrophobicContact CG-CD1 4.41Å; M34-I152 HydrophobicContact SD-CD1 3.9Å; Q35-I152 CarbonylContact O-C 3.56Å; Q35-I152 WeakPolarHBondContact O-CA 3.4Å; F36-I152 HydrophobicContact CD1-CD1 4.48Å; F36-I152 HydrophobicContact CD1-CG1 3.51Å; F36-I152 HydrophobicContact CE1-CD1 3.74Å; F36-I152 HydrophobicContact CE1-CG1 3.24Å; F36-I152 HydrophobicContact CG-CG1 4.5Å; F36-I152 HydrophobicContact CZ-CD1 4.26Å; F36-I152 HydrophobicContact CZ-CG1 4.05Å; G116-I152 PolarHBondContact O-N 2.94Å; I134-I152 HydrophobicContact CG2-CD1 3.88Å; I134-I152 HydrophobicContact CG2-CG1 4.49Å; I152-D154 WeakPolarHBondContact CG2-O 3.3Å; I152-M156 HydrophobicContact CB-CE 3.41Å; I152-M156 VanDerWaalsContact CB-CE 3.41Å; I152-M156 HydrophobicContact CD1-CE 3.37Å; I152-M156 HydrophobicContact CG1-CE 3.91Å; I152-M156 HydrophobicContact CG2-CE 3.41Å; I152-M156 VanDerWaalsContact CG2-CE 3.41Å; I152-L159 HydrophobicContact CD1-CB 4.06Å; I152-L159 HydrophobicContact CD1-CD2 4Å; I152-L159 HydrophobicContact CD1-CG 4.5Å
153	V	96.9	Very high	98.1	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-24.6	170.8	-68.9	0	0	0	0	112.2	V8 R11 M12 V19 Q35 E37 R151	V8-V153 HydrophobicContact CG1-CB 4.34Å; V8-V153 HydrophobicContact CG1-CG2 3.69Å; R11-V153 HydrophobicContact CB-CB 4.35Å; R11-V153 WeakPolarHBondContact CD-O 3.11Å; R11-V153 PolarHBondContact NH1-O 2.82Å; M12-V153 HydrophobicContact CG-CG1 4.13Å; V19-V153 HydrophobicContact CG1-CG2 4.49Å; Q35-V153 HydrophobicContact CB-CG2 3.96Å; Q35-V153 WeakPolarHBondContact O-CG2 3.45Å; Q35-V153 PolarHBondContact O-N 2.94Å; E37-V153 HydrophobicContact CB-CG1 3.63Å; R151-V153 HydrophobicContact CG-CG1 4.42Å; R151-V153 PolarHBondContact O-N 2.76Å
154	D	96.7	Very high	98.1	Very high	53 Å²	53	39.6 Å²	39.6	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.2	171.6	-162.5	37.7	0	0	0	112.4	R11 M34 Q35 I152	R11-D154 IonicContact CZ-OD1 3.47Å; R11-D154 IonicContact NH1-OD1 2.7Å; R11-D154 PolarHBondContact NH1-OD1 3.27Å; M34-D154 WeakPolarHBondContact CA-O 3.48Å; Q35-D154 HydrophobicContact CB-CB 4.12Å; Q35-D154 HydrophobicContact CG-CB 4.25Å; Q35-D154 PolarHBondContact N-O 3.23Å; Q35-D154 PolarHBondContact O-N 3.2Å; I152-D154 WeakPolarHBondContact CG2-O 3.3Å
155	G	97	Very high	98.1	Very high	12 Å²	12	38.3 Å²	38.3	12%	0.124	19%	0.187	C	C	.	.			trans	91.7	24.1	-179.8	0	0	0	0	0	115.3	R33 L157 V158 L159	R33-G155 VanDerWaalsContact O-CA 3.31Å; R33-G155 WeakPolarHBondContact O-CA 3Å; G155-L157 PolarHBondContact O-N 2.8Å; G155-V158 WeakPolarHBondContact O-CA 3.33Å; G155-V158 VanDerWaalsContact O-CB 3.24Å; G155-V158 WeakPolarHBondContact O-CB 3.18Å; G155-V158 PolarHBondContact O-N 2.74Å; G155-L159 PolarHBondContact O-N 3.26Å
156	M	97.3	Very high	98.1	Very high	63 Å²	63	36.7 Å²	36.7	31%	0.31	19%	0.188	S	C	.	.	H	α-helix	trans	-60.1	-30.1	178.4	-167.6	42.8	45.4	0	0	114	C115 I152 V158 L159 K160	C115-M156 VanDerWaalsContact SG-SD 3.65Å; I152-M156 HydrophobicContact CB-CE 3.41Å; I152-M156 VanDerWaalsContact CB-CE 3.41Å; I152-M156 HydrophobicContact CD1-CE 3.37Å; I152-M156 HydrophobicContact CG1-CE 3.91Å; I152-M156 HydrophobicContact CG2-CE 3.41Å; I152-M156 VanDerWaalsContact CG2-CE 3.41Å; M156-V158 VanDerWaalsContact C-N 3.26Å; M156-V158 PolarHBondContact O-N 2.86Å; M156-L159 HydrophobicContact CE-CB 4.38Å; M156-L159 HydrophobicContact CE-CD2 3.91Å; M156-L159 PolarHBondContact O-N 2.82Å; M156-L159 HydrophobicContact SD-CB 4.03Å; M156-L159 HydrophobicContact SD-CD2 3.65Å; M156-L159 HydrophobicContact SD-CG 4.34Å; M156-K160 WeakPolarHBondContact O-CG 3.49Å; M156-K160 PolarHBondContact O-N 2.88Å
157	L	97.8	Very high	98.1	Very high	140 Å²	140	37.7 Å²	37.7	73%	0.733	20%	0.196	S	C	*	.	H	α-helix	trans	-64.6	-29.4	171.8	-64.6	174.7	0	0	0	112.8	G155 K160 K161	G155-L157 PolarHBondContact O-N 2.8Å; L157-K160 PolarHBondContact O-N 3.43Å; L157-K161 WeakPolarHBondContact O-CG 3.43Å; L157-K161 PolarHBondContact O-N 3.03Å
158	V	98.6	Very high	98	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-46.3	175.9	-177.7	0	0	0	0	109.4	V24 I31 M34 G155 M156 K160 K161 I162	V24-V158 HydrophobicContact CB-CG1 4.1Å; V24-V158 HydrophobicContact CG2-CG1 4.19Å; I31-V158 HydrophobicContact CD1-CG1 3.59Å; I31-V158 HydrophobicContact CG1-CG1 4.02Å; M34-V158 HydrophobicContact CG-CB 3.68Å; M34-V158 HydrophobicContact CG-CG1 3.76Å; M34-V158 HydrophobicContact SD-CB 4.35Å; M34-V158 HydrophobicContact SD-CG1 4.21Å; G155-V158 WeakPolarHBondContact O-CA 3.33Å; G155-V158 VanDerWaalsContact O-CB 3.24Å; G155-V158 WeakPolarHBondContact O-CB 3.18Å; G155-V158 PolarHBondContact O-N 2.74Å; M156-V158 VanDerWaalsContact C-N 3.26Å; M156-V158 PolarHBondContact O-N 2.86Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 3.47Å; V158-K161 WeakPolarHBondContact O-CB 3.34Å; V158-K161 PolarHBondContact O-N 3.37Å; V158-K161 VanDerWaalsContact O-N 3.11Å; V158-I162 HydrophobicContact CG1-CD1 4.17Å; V158-I162 WeakPolarHBondContact O-CG1 3.4Å; V158-I162 PolarHBondContact O-N 3.1Å
159	L	98.6	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-46.1	172.7	179.9	64.6	0	0	0	111.5	M34 V81 I134 T135 I152 G155 M156 K161 I162 E163	M34-L159 HydrophobicContact SD-CB 3.99Å; V81-L159 HydrophobicContact CB-CD1 4.43Å; V81-L159 HydrophobicContact CG1-CD1 4.09Å; V81-L159 HydrophobicContact CG2-CD1 3.39Å; I134-L159 HydrophobicContact CB-CD1 4.11Å; I134-L159 HydrophobicContact CD1-CD1 4.48Å; I134-L159 HydrophobicContact CG2-CD1 3.92Å; I134-L159 HydrophobicContact CG2-CD2 3.67Å; I134-L159 HydrophobicContact CG2-CG 4.44Å; T135-L159 WeakPolarHBondContact O-CD2 3.49Å; I152-L159 HydrophobicContact CD1-CB 4.06Å; I152-L159 HydrophobicContact CD1-CD2 4Å; I152-L159 HydrophobicContact CD1-CG 4.5Å; G155-L159 PolarHBondContact O-N 3.26Å; M156-L159 HydrophobicContact CE-CB 4.38Å; M156-L159 HydrophobicContact CE-CD2 3.91Å; M156-L159 PolarHBondContact O-N 2.82Å; M156-L159 HydrophobicContact SD-CB 4.03Å; M156-L159 HydrophobicContact SD-CD2 3.65Å; M156-L159 HydrophobicContact SD-CG 4.34Å; L159-K161 VanDerWaalsContact C-N 3.3Å; L159-K161 PolarHBondContact O-N 2.78Å; L159-I162 PolarHBondContact O-N 3.35Å; L159-I162 VanDerWaalsContact O-N 3.12Å; L159-E163 PolarHBondContact O-N 2.96Å
160	K	98.3	Very high	97.7	Very high	73 Å²	73	50.1 Å²	50.1	32%	0.317	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-35.5	177.2	-69	-49.8	-170.6	-173.8	0	112.9	C136 M156 L157 V158 E163 N164	C136-K160 PolarHBondContact O-NZ 2.67Å; M156-K160 WeakPolarHBondContact O-CG 3.49Å; M156-K160 PolarHBondContact O-N 2.88Å; L157-K160 PolarHBondContact O-N 3.43Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 3.47Å; K160-E163 WeakPolarHBondContact CD-OE1 3.47Å; K160-E163 WeakPolarHBondContact CE-OE1 3.36Å; K160-E163 IonicContact NZ-OE1 3.66Å; K160-E163 PolarHBondContact NZ-OE1 2.8Å; K160-E163 WeakPolarHBondContact O-CG 3.26Å; K160-N164 PolarHBondContact O-ND2 3.34Å
161	K	98.4	Very high	97.7	Very high	110 Å²	110	53 Å²	53	48%	0.478	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-44.5	172.3	-72.3	172.8	-172.8	179.6	0	111.7	I26 I31 L157 V158 L159 N164	I26-K161 HydrophobicContact CD1-CB 4.49Å; I31-K161 HydrophobicContact CB-CD 4.16Å; I31-K161 HydrophobicContact CD1-CB 4.11Å; I31-K161 HydrophobicContact CD1-CD 4.41Å; I31-K161 PolarHBondContact O-NZ 2.91Å; I31-K161 VanDerWaalsContact O-NZ 3.08Å; L157-K161 WeakPolarHBondContact O-CG 3.43Å; L157-K161 PolarHBondContact O-N 3.03Å; V158-K161 WeakPolarHBondContact O-CB 3.34Å; V158-K161 PolarHBondContact O-N 3.37Å; V158-K161 VanDerWaalsContact O-N 3.11Å; L159-K161 VanDerWaalsContact C-N 3.3Å; L159-K161 PolarHBondContact O-N 2.78Å; K161-N164 PolarHBondContact O-N 2.86Å
162	I	98.7	Very high	97.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-48.4	-178.7	-63.3	164.5	0	0	0	110.8	V24 I31 M34 F72 I75 V81 V158 L159 N164 V165 V177	V24-I162 HydrophobicContact CB-CD1 4.45Å; V24-I162 HydrophobicContact CG1-CD1 3.86Å; V24-I162 HydrophobicContact CG1-CG1 4.18Å; V24-I162 HydrophobicContact CG2-CD1 4.23Å; I31-I162 HydrophobicContact CD1-CD1 4.48Å; I31-I162 HydrophobicContact CD1-CG1 3.85Å; M34-I162 HydrophobicContact CE-CD1 3.7Å; M34-I162 HydrophobicContact SD-CD1 4.1Å; F72-I162 HydrophobicContact CE2-CD1 4.25Å; I75-I162 HydrophobicContact CD1-CG2 3.56Å; I75-I162 HydrophobicContact CG1-CG2 4.29Å; V81-I162 HydrophobicContact CB-CG2 4.21Å; V81-I162 HydrophobicContact CG1-CB 4.45Å; V81-I162 HydrophobicContact CG1-CG2 3.74Å; V158-I162 HydrophobicContact CG1-CD1 4.17Å; V158-I162 WeakPolarHBondContact O-CG1 3.4Å; V158-I162 PolarHBondContact O-N 3.1Å; L159-I162 PolarHBondContact O-N 3.35Å; L159-I162 VanDerWaalsContact O-N 3.12Å; I162-N164 PolarHBondContact O-N 2.88Å; I162-N164 VanDerWaalsContact O-N 3.15Å; I162-V165 VanDerWaalsContact O-CB 3.31Å; I162-V165 WeakPolarHBondContact O-CB 3.5Å; I162-V165 VanDerWaalsContact O-CG2 3.29Å; I162-V165 WeakPolarHBondContact O-CG2 3.3Å; I162-V165 PolarHBondContact O-N 3.17Å; I162-V177 HydrophobicContact CD1-CG1 4.45Å; I162-V177 HydrophobicContact CG1-CG1 3.99Å; I162-V177 HydrophobicContact CG2-CG1 3.89Å
163	E	97.9	Very high	97.7	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.028	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-20.1	-176.5	75.6	166.6	141.8	0	0	113.9	D78 V81 C136 L159 K160	D78-E163 PolarHBondContact N-OE2 3.04Å; V81-E163 HydrophobicContact CG1-CB 4.13Å; C136-E163 WeakPolarHBondContact CB-OE2 3.5Å; L159-E163 PolarHBondContact O-N 2.96Å; K160-E163 WeakPolarHBondContact CD-OE1 3.47Å; K160-E163 WeakPolarHBondContact CE-OE1 3.36Å; K160-E163 IonicContact NZ-OE1 3.66Å; K160-E163 PolarHBondContact NZ-OE1 2.8Å; K160-E163 WeakPolarHBondContact O-CG 3.26Å
164	N	98.2	Very high	97.8	Very high	84 Å²	84	63.4 Å²	63.4	45%	0.449	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.6	177	-77.4	-79.2	0	0	0	113.1	K77 K160 K161 I162	K77-N164 WeakPolarHBondContact CE-OD1 3.23Å; K77-N164 PolarHBondContact NZ-OD1 3.42Å; K160-N164 PolarHBondContact O-ND2 3.34Å; K161-N164 PolarHBondContact O-N 2.86Å; I162-N164 PolarHBondContact O-N 2.88Å; I162-N164 VanDerWaalsContact O-N 3.15Å
165	V	98.2	Very high	97.8	Very high	12 Å²	12	63.7 Å²	63.7	7%	0.073	35%	0.345	C	S	.	.	S	Bend	trans	-65.2	129.5	173.6	173.3	0	0	0	0	109.8	I26 I75 I162 T167 P173 V175 V177	I26-V165 HydrophobicContact CD1-CG2 3.53Å; I26-V165 HydrophobicContact CG1-CG2 4.27Å; I26-V165 HydrophobicContact CG2-CG2 4.2Å; I75-V165 HydrophobicContact CD1-CB 4.49Å; I162-V165 VanDerWaalsContact O-CB 3.31Å; I162-V165 WeakPolarHBondContact O-CB 3.5Å; I162-V165 VanDerWaalsContact O-CG2 3.29Å; I162-V165 WeakPolarHBondContact O-CG2 3.3Å; I162-V165 PolarHBondContact O-N 3.17Å; V165-T167 WeakPolarHBondContact O-CG2 3.45Å; V165-T167 PolarHBondContact O-N 3.25Å; V165-P173 HydrophobicContact CG1-CB 3.7Å; V165-V175 HydrophobicContact CG1-CG2 3.85Å; V165-V177 HydrophobicContact CB-CG2 4.41Å; V165-V177 HydrophobicContact CG1-CG2 4.14Å; V165-V177 HydrophobicContact CG2-CG2 4Å
166	P	98.2	Very high	97.9	Very high	84 Å²	84	66.8 Å²	66.8	55%	0.545	36%	0.363	S	S	.	.			trans	-57	130	175.6	-26.7	35.3	0	0	0	112	K174	P166-K174 HydrophobicContact CB-CD 4.09Å; P166-K174 WeakPolarHBondContact O-CB 3.32Å; P166-K174 WeakPolarHBondContact O-CG 3.49Å; P166-K174 PolarHBondContact O-N 2.98Å
167	T	98.3	Very high	98	Very high	50 Å²	50	63.8 Å²	63.8	31%	0.307	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-108.2	156.6	179.4	60.8	0	0	0	0	112.6	I75 V165 R172 K174	I75-T167 HydrophobicContact CB-CG2 3.94Å; I75-T167 HydrophobicContact CG2-CG2 4.18Å; I75-T167 WeakPolarHBondContact O-CG2 3.41Å; V165-T167 WeakPolarHBondContact O-CG2 3.45Å; V165-T167 PolarHBondContact O-N 3.25Å; T167-R172 CarbonylContact C-O 3.49Å; T167-R172 VanDerWaalsContact CA-O 3.28Å; T167-R172 WeakPolarHBondContact CA-O 3.4Å; T167-K174 WeakPolarHBondContact O-CE 3.15Å
168	G	97.2	Very high	98	Very high	36 Å²	36	59.9 Å²	59.9	37%	0.371	33%	0.327	S	S	.	.			trans	-114.6	-145.7	176.1	0	0	0	0	0	111.8	N171 R172	G168-N171 PolarHBondContact O-N 2.94Å; G168-R172 PolarHBondContact N-O 3.26Å
169	A	96.2	Very high	98	Very high	83 Å²	83	59.4 Å²	59.4	69%	0.686	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-54.6	143.4	178.3	0	0	0	0	0	111.7	N171 R172	A169-N171 PolarHBondContact O-N 2.99Å; A169-R172 WeakPolarHBondContact O-CB 3.49Å; A169-R172 PolarHBondContact O-N 2.93Å
170	N	95.3	Very high	98	Very high	146 Å²	146	61 Å²	61	78%	0.781	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	55.1	22.1	-178.6	-58	-30.8	0	0	0	114.6	R172	N170-R172 PolarHBondContact O-N 2.92Å
171	N	98.1	Very high	98	Very high	60 Å²	60	61.2 Å²	61.2	32%	0.321	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	62.5	25.8	-175.5	-50.3	-72.2	0	0	0	113.8	R74 I75 I76 G168 A169	R74-N171 HydrophobicContact CG-CB 4.07Å; I75-N171 PolarHBondContact N-O 3.39Å; I75-N171 WeakPolarHBondContact O-CB 3.25Å; I76-N171 HydrophobicContact CD1-CB 4.42Å; I76-N171 HydrophobicContact CG1-CB 3.78Å; G168-N171 PolarHBondContact O-N 2.94Å; A169-N171 PolarHBondContact O-N 2.99Å
172	R	97.9	Very high	98	Very high	140 Å²	140	56.7 Å²	56.7	53%	0.528	32%	0.32	S	S	.	.			trans	-74.1	134.5	173.7	-170.7	174.4	-173.9	159.1	6.3	110.1	H73 T167 G168 A169 N170	H73-R172 WeakPolarHBondContact O-CA 3.35Å; T167-R172 CarbonylContact C-O 3.49Å; T167-R172 VanDerWaalsContact CA-O 3.28Å; T167-R172 WeakPolarHBondContact CA-O 3.4Å; G168-R172 PolarHBondContact N-O 3.26Å; A169-R172 WeakPolarHBondContact O-CB 3.49Å; A169-R172 PolarHBondContact O-N 2.93Å; N170-R172 PolarHBondContact O-N 2.92Å
173	P	98.3	Very high	98	Very high	17 Å²	17	57.1 Å²	57.1	11%	0.11	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-62.9	141.7	176.4	25.7	-33.9	0	0	0	112.1	F72 I75 V165 V175 V177	F72-P173 WeakPolarHBondContact O-CG 3.46Å; I75-P173 HydrophobicContact CD1-CB 4.04Å; I75-P173 HydrophobicContact CD1-CG 4.09Å; V165-P173 HydrophobicContact CG1-CB 3.7Å; P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 WeakPolarHBondContact CB-O 3.43Å; P173-V175 PolarHBondContact O-N 3.28Å; P173-V177 HydrophobicContact CB-CG2 4.05Å; P173-V177 HydrophobicContact CG-CG2 4.2Å
174	K	98.2	Very high	98	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	34%	0.342	S	S	*	.	S	Bend	trans	-71.8	-22.1	179.4	-69.3	-175	-177	177.9	0	113.3	P166 T167	P166-K174 HydrophobicContact CB-CD 4.09Å; P166-K174 WeakPolarHBondContact O-CB 3.32Å; P166-K174 WeakPolarHBondContact O-CG 3.49Å; P166-K174 PolarHBondContact O-N 2.98Å; T167-K174 WeakPolarHBondContact O-CE 3.15Å
175	V	97.9	Very high	97.7	Very high	59 Å²	59	63.3 Å²	63.3	36%	0.358	35%	0.352	S	S	.	.	S	Bend	trans	-121.2	145.5	173.1	-68.2	0	0	0	0	109	I26 V165 P173 V177	I26-V175 HydrophobicContact CG2-CG2 3.65Å; V165-V175 HydrophobicContact CG1-CG2 3.85Å; P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 WeakPolarHBondContact CB-O 3.43Å; P173-V175 PolarHBondContact O-N 3.28Å; V175-V177 PolarHBondContact O-N 3.11Å
176	P	98.1	Very high	97.7	Very high	77 Å²	77	65.9 Å²	65.9	50%	0.5	37%	0.366	S	S	.	.			trans	-58.1	128.2	179.5	-24.9	34.3	0	0	0	111.7	I26 G27 L178	I26-P176 CarbonylContact C-O 3.5Å; I26-P176 WeakPolarHBondContact CA-O 3.41Å; G27-P176 PolarHBondContact N-O 3.47Å; P176-L178 HydrophobicContact CB-CD1 4.32Å; P176-L178 HydrophobicContact CB-CD2 4.16Å; P176-L178 HydrophobicContact CB-CG 4.03Å
177	V	98.7	Very high	97.7	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.6	168.1	-173.1	0	0	0	0	106.9	V24 T25 I26 S71 F72 I75 I162 V165 P173 V175	V24-V177 HydrophobicContact CG1-CG1 3.81Å; T25-V177 CarbonylContact O-C 3.35Å; T25-V177 VanDerWaalsContact O-CA 3.3Å; T25-V177 WeakPolarHBondContact O-CA 3.25Å; I26-V177 HydrophobicContact CG1-CG1 4.21Å; I26-V177 HydrophobicContact CG1-CG2 4.25Å; S71-V177 CarbonylContact C-O 3.36Å; S71-V177 VanDerWaalsContact CA-O 3.24Å; S71-V177 WeakPolarHBondContact CA-O 3.17Å; F72-V177 HydrophobicContact CB-CB 4.35Å; F72-V177 HydrophobicContact CB-CG1 4.41Å; F72-V177 HydrophobicContact CD2-CB 4.36Å; F72-V177 HydrophobicContact CD2-CG1 3.68Å; F72-V177 HydrophobicContact CE2-CG1 4.46Å; F72-V177 HydrophobicContact CG-CG1 4.44Å; F72-V177 PolarHBondContact N-O 2.85Å; I75-V177 HydrophobicContact CD1-CB 4.48Å; I75-V177 HydrophobicContact CD1-CG2 3.97Å; I162-V177 HydrophobicContact CD1-CG1 4.45Å; I162-V177 HydrophobicContact CG1-CG1 3.99Å; I162-V177 HydrophobicContact CG2-CG1 3.89Å; V165-V177 HydrophobicContact CB-CG2 4.41Å; V165-V177 HydrophobicContact CG1-CG2 4.14Å; V165-V177 HydrophobicContact CG2-CG2 4Å; P173-V177 HydrophobicContact CB-CG2 4.05Å; P173-V177 HydrophobicContact CG-CG2 4.2Å; V175-V177 PolarHBondContact O-N 3.11Å
178	L	98.6	Very high	97.7	Very high	57 Å²	57	65.8 Å²	65.8	30%	0.298	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.1	-169.2	-52.3	177.7	0	0	0	111.9	V24 T25 T70 P176 S180	V24-L178 WeakPolarHBondContact CA-O 3.1Å; T25-L178 PolarHBondContact N-O 3.27Å; T25-L178 PolarHBondContact O-N 2.79Å; T25-L178 PolarHBondContact OG1-O 3.25Å; T70-L178 CarbonylContact O-C 3.27Å; T70-L178 VanDerWaalsContact O-CA 3.32Å; T70-L178 WeakPolarHBondContact O-CA 3.35Å; P176-L178 HydrophobicContact CB-CD1 4.32Å; P176-L178 HydrophobicContact CB-CD2 4.16Å; P176-L178 HydrophobicContact CB-CG 4.03Å; L178-S180 PolarHBondContact O-N 3.46Å
179	I	98.8	Very high	97.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98.3	164.2	-59.4	170.6	0	0	0	106.7	F22 D23 G69 T70 F72 F132 Q181 C182	F22-I179 HydrophobicContact CB-CG2 4.15Å; F22-I179 HydrophobicContact CD1-CD1 4.2Å; F22-I179 HydrophobicContact CD1-CG2 3.74Å; F22-I179 HydrophobicContact CD2-CD1 3.91Å; F22-I179 HydrophobicContact CD2-CG1 4.33Å; F22-I179 HydrophobicContact CE1-CD1 4.14Å; F22-I179 HydrophobicContact CE1-CG2 4.35Å; F22-I179 HydrophobicContact CE2-CD1 3.86Å; F22-I179 HydrophobicContact CG-CD1 4.1Å; F22-I179 HydrophobicContact CG-CG1 4.24Å; F22-I179 HydrophobicContact CG-CG2 4.03Å; F22-I179 HydrophobicContact CZ-CD1 3.96Å; D23-I179 CarbonylContact O-C 3.55Å; D23-I179 WeakPolarHBondContact O-CA 3.4Å; G69-I179 WeakPolarHBondContact CA-O 3.15Å; G69-I179 PolarHBondContact N-O 3.12Å; T70-I179 PolarHBondContact O-N 3.06Å; F72-I179 HydrophobicContact CE2-CD1 4.27Å; F72-I179 HydrophobicContact CE2-CG1 3.73Å; F72-I179 HydrophobicContact CZ-CD1 4.13Å; F72-I179 HydrophobicContact CZ-CG1 4.04Å; F132-I179 HydrophobicContact CZ-CD1 4.16Å; I179-Q181 WeakPolarHBondContact CG2-O 3.43Å; I179-C182 HydrophobicContact CG2-CB 3.89Å
180	S	98.3	Very high	97.8	Very high	32 Å²	32	66.6 Å²	66.6	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-36.3	-177.7	54.9	0	0	0	0	111.8	D23 L178	D23-S180 PolarHBondContact O-N 3.29Å; D23-S180 PolarHBondContact O-OG 2.83Å; L178-S180 PolarHBondContact O-N 3.46Å
181	Q	98.4	Very high	97.9	Very high	78 Å²	78	61.3 Å²	61.3	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.1	175.8	-70.7	-68.1	121.3	0	0	110.1	F21 F22 D23 I179	F21-Q181 HydrophobicContact CE2-CB 4.37Å; F22-Q181 WeakPolarHBondContact CA-O 3.32Å; D23-Q181 HydrophobicContact CB-CB 4Å; D23-Q181 PolarHBondContact N-O 3.24Å; D23-Q181 WeakPolarHBondContact OD2-CB 3.37Å; I179-Q181 WeakPolarHBondContact CG2-O 3.43Å
182	C	98.6	Very high	97.9	Very high	16 Å²	16	61.4 Å²	61.4	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.4	173.6	59	0	0	0	0	110.4	F21 F22 C54 K68 I179	F21-C182 WeakPolarHBondContact O-CA 3.29Å; F21-C182 WeakPolarHBondContact O-CB 3.31Å; F22-C182 HydrophobicContact CD1-CB 3.49Å; F22-C182 VanDerWaalsContact CD1-CB 3.49Å; F22-C182 HydrophobicContact CE1-CB 3.75Å; C54-C182 CarbonylContact O-C 3.46Å; C54-C182 VanDerWaalsContact O-C 3.27Å; C54-C182 PolarHBondContact O-SG 2.99Å; K68-C182 PolarHBondContact N-SG 3.13Å; K68-C182 VanDerWaalsContact N-SG 3.37Å; I179-C182 HydrophobicContact CG2-CB 3.89Å
183	G	98.3	Very high	97.9	Very high	9 Å²	9	55.3 Å²	55.3	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-177.7	179.6	0	0	0	0	0	111.7	V20 F21 C54	V20-G183 CarbonylContact C-O 3.56Å; V20-G183 WeakPolarHBondContact CA-O 3.32Å; V20-G183 VanDerWaalsContact CB-O 3.26Å; V20-G183 WeakPolarHBondContact CB-O 3.48Å; F21-G183 VanDerWaalsContact CD1-O 3.27Å; F21-G183 WeakPolarHBondContact CD1-O 3.33Å; F21-G183 PolarHBondContact N-O 3Å; F21-G183 PolarHBondContact O-N 3.18Å; C54-G183 WeakPolarHBondContact O-CA 3.41Å; C54-G183 PolarHBondContact O-N 3.49Å
184	E	97.9	Very high	97.9	Very high	83 Å²	83	58.5 Å²	58.5	39%	0.388	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	151	170.5	-168.5	174.4	145.4	0	0	109.8	V19 V20 R51 T55	V19-E184 CarbonylContact O-C 3.58Å; V19-E184 WeakPolarHBondContact O-CA 3.46Å; V19-E184 WeakPolarHBondContact O-CG 3.43Å; V20-E184 HydrophobicContact CG1-CB 4.27Å; V20-E184 HydrophobicContact CG1-CG 4.41Å; R51-E184 WeakPolarHBondContact CD-OE2 3.37Å; R51-E184 WeakPolarHBondContact CG-OE2 3.49Å; R51-E184 IonicContact CZ-OE2 2.76Å; R51-E184 IonicContact NE-OE2 3.45Å; R51-E184 IonicContact NH1-OE2 3.03Å; R51-E184 PolarHBondContact NH1-OE2 3.1Å; T55-E184 HydrophobicContact CG2-CB 3.68Å
185	M	92.9	Very high	97.9	Very high	137 Å²	137	49.9 Å²	49.9	68%	0.675	27%	0.274	S	S	*	.			trans	-101	0	-177.1	-66.4	-167.3	60.5	0	0	112.9	V19 F21 Q35	V19-M185 HydrophobicContact CB-CB 4.3Å; V19-M185 HydrophobicContact CG1-CB 4.28Å; V19-M185 HydrophobicContact CG1-CG 4.2Å; V19-M185 HydrophobicContact CG1-SD 3.85Å; V19-M185 PolarHBondContact O-N 2.82Å; F21-M185 HydrophobicContact CB-CG 4.4Å; F21-M185 HydrophobicContact CB-SD 4.28Å; F21-M185 HydrophobicContact CD1-CG 3.72Å; F21-M185 HydrophobicContact CG-CG 4.48Å; Q35-M185 HydrophobicContact CB-SD 4.34Å; Q35-M185 HydrophobicContact CG-SD 3.7Å

Retrieved 185 of 185 residues in 459.9 ms (Link to these results)

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