A0A093HGN5_STRCA Loading...

EPH-related receptor tyrosine kinase ligand 7

AlphaFold DB , UniProt , Accession A0A093HGN5, Species STRCA (Struthio camelus australis), Gene n/a, Length 187 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	82.1	Confident	91.5	Very high	213 Å²	213	101.5 Å²	101.5	80%	0.804	46%	0.46	S	S	*	.				0	-49.8	0	-64	-172.5	-175.9	-179.8	-0.6	111.7	Q3 Y7	R1-Q3 VanDerWaalsContact C-N 3.31Å; R1-Q3 PolarHBondContact O-N 2.94Å; R1-Y7 HydrophobicContact CB-CD1 4.18Å; R1-Y7 HydrophobicContact CB-CD2 3.98Å; R1-Y7 HydrophobicContact CB-CE1 4.26Å; R1-Y7 HydrophobicContact CB-CE2 4.08Å; R1-Y7 HydrophobicContact CB-CG 4.04Å; R1-Y7 HydrophobicContact CG-CE2 4.33Å; R1-Y7 PolarHBondContact NH1-OH 3.48Å
2	F	87.4	Confident	92	Very high	88 Å²	88	94.1 Å²	94.1	39%	0.386	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-69.3	-14.9	-180	-68.2	-82.3	0	0	0	116.9	R4 G5 Y7 L111 K112 L113	F2-R4 PolarHBondContact O-N 3.49Å; F2-R4 VanDerWaalsContact O-N 3.1Å; F2-G5 PolarHBondContact O-N 3.14Å; F2-Y7 AromaticContact CD1-CD1 3.94Å; F2-Y7 HydrophobicContact CD1-CD1 3.94Å; F2-Y7 HydrophobicContact CD2-CD1 4.14Å; F2-Y7 AromaticContact CE1-CD1 3.56Å; F2-Y7 HydrophobicContact CE1-CD1 3.56Å; F2-Y7 HydrophobicContact CE1-CE1 4.33Å; F2-Y7 AromaticContact CE2-CD1 3.75Å; F2-Y7 HydrophobicContact CE2-CD1 3.75Å; F2-Y7 AromaticContact CE2-CE1 3.86Å; F2-Y7 HydrophobicContact CE2-CE1 3.86Å; F2-Y7 HydrophobicContact CG-CD1 4.23Å; F2-Y7 AromaticContact CZ-CD1 3.45Å; F2-Y7 HydrophobicContact CZ-CD1 3.45Å; F2-Y7 VanDerWaalsContact CZ-CD1 3.45Å; F2-Y7 AromaticContact CZ-CE1 3.76Å; F2-Y7 HydrophobicContact CZ-CE1 3.76Å; F2-L111 HydrophobicContact CB-CD2 3.8Å; F2-L111 HydrophobicContact CD1-CB 4.2Å; F2-L111 HydrophobicContact CG-CD2 4.38Å; F2-K112 WeakPolarHBondContact CD1-O 3.45Å; F2-K112 WeakPolarHBondContact CE1-O 3.45Å; F2-L113 HydrophobicContact CE1-CB 4.28Å
3	Q	83.7	Confident	92.4	Very high	197 Å²	197	89.6 Å²	89.6	92%	0.921	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.5	-175.7	-71	177.2	-8.2	0	0	114.5	R1	R1-Q3 VanDerWaalsContact C-N 3.31Å; R1-Q3 PolarHBondContact O-N 2.94Å
4	R	86.4	Confident	92.6	Very high	213 Å²	213	89.8 Å²	89.8	80%	0.804	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-91.5	-10.5	-178.6	-68.5	179.9	-172.9	178.8	0.7	113.6	F2 D6	F2-R4 PolarHBondContact O-N 3.49Å; F2-R4 VanDerWaalsContact O-N 3.1Å; R4-D6 WeakPolarHBondContact CB-OD1 3.33Å; R4-D6 PolarHBondContact O-N 2.99Å
5	G	87.9	Confident	92.9	Very high	23 Å²	23	88.5 Å²	88.5	24%	0.237	41%	0.412	C	S	.	.	S	Bend	trans	69.2	12.6	-179.3	0	0	0	0	0	115.3	F2 K112	F2-G5 PolarHBondContact O-N 3.14Å; G5-K112 WeakPolarHBondContact O-CE 3.05Å
6	D	92.1	Very high	93.1	Very high	90 Å²	90	91.7 Å²	91.7	48%	0.481	42%	0.421	S	S	.	.			trans	-117	16.7	-177.7	65.3	-13.8	0	0	0	112.6	R4 H8	R4-D6 WeakPolarHBondContact CB-OD1 3.33Å; R4-D6 PolarHBondContact O-N 2.99Å; D6-H8 PolarHBondContact O-N 3.3Å; D6-H8 PolarHBondContact O-ND1 3.25Å; D6-H8 VanDerWaalsContact O-ND1 3.07Å
7	Y	97.1	Very high	93.4	Very high	50 Å²	50	87.5 Å²	87.5	20%	0.196	40%	0.403	C	S	.	.			trans	-65.8	123.5	-176.7	-172.1	-149.2	0	0	0	110.3	R1 F2 I9 L113 K114	R1-Y7 HydrophobicContact CB-CD1 4.18Å; R1-Y7 HydrophobicContact CB-CD2 3.98Å; R1-Y7 HydrophobicContact CB-CE1 4.26Å; R1-Y7 HydrophobicContact CB-CE2 4.08Å; R1-Y7 HydrophobicContact CB-CG 4.04Å; R1-Y7 HydrophobicContact CG-CE2 4.33Å; R1-Y7 PolarHBondContact NH1-OH 3.48Å; F2-Y7 AromaticContact CD1-CD1 3.94Å; F2-Y7 HydrophobicContact CD1-CD1 3.94Å; F2-Y7 HydrophobicContact CD2-CD1 4.14Å; F2-Y7 AromaticContact CE1-CD1 3.56Å; F2-Y7 HydrophobicContact CE1-CD1 3.56Å; F2-Y7 HydrophobicContact CE1-CE1 4.33Å; F2-Y7 AromaticContact CE2-CD1 3.75Å; F2-Y7 HydrophobicContact CE2-CD1 3.75Å; F2-Y7 AromaticContact CE2-CE1 3.86Å; F2-Y7 HydrophobicContact CE2-CE1 3.86Å; F2-Y7 HydrophobicContact CG-CD1 4.23Å; F2-Y7 AromaticContact CZ-CD1 3.45Å; F2-Y7 HydrophobicContact CZ-CD1 3.45Å; F2-Y7 VanDerWaalsContact CZ-CD1 3.45Å; F2-Y7 AromaticContact CZ-CE1 3.76Å; F2-Y7 HydrophobicContact CZ-CE1 3.76Å; Y7-I9 HydrophobicContact CE2-CG2 4.12Å; Y7-L113 HydrophobicContact CD1-CD1 3.83Å; Y7-L113 HydrophobicContact CE1-CD1 4.11Å; Y7-L113 HydrophobicContact CG-CD1 4.18Å; Y7-K114 PolarHBondContact O-N 3.41Å
8	H	97.6	Very high	93.6	Very high	101 Å²	101	86.2 Å²	86.2	47%	0.468	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.8	178	65.6	-81.7	0	0	0	111.4	D6 K114	D6-H8 PolarHBondContact O-N 3.3Å; D6-H8 PolarHBondContact O-ND1 3.25Å; D6-H8 VanDerWaalsContact O-ND1 3.07Å; H8-K114 CarbonylContact C-O 3.45Å; H8-K114 WeakPolarHBondContact CA-O 3.34Å; H8-K114 HydrophobicContact CB-CB 3.94Å; H8-K114 WeakPolarHBondContact CB-O 3.32Å
9	I	97.8	Very high	93.7	Very high	37 Å²	37	82.9 Å²	82.9	19%	0.19	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.4	174.3	61.5	176	0	0	0	109.8	Y7 V11 L17 L113 K114 V115 F116	Y7-I9 HydrophobicContact CE2-CG2 4.12Å; I9-V11 HydrophobicContact CD1-CG1 3.91Å; I9-V11 HydrophobicContact CG1-CG1 4.16Å; I9-L17 HydrophobicContact CD1-CD1 3.88Å; I9-L17 HydrophobicContact CD1-CD2 4.49Å; I9-L113 HydrophobicContact CG1-CD1 4.32Å; I9-L113 HydrophobicContact CG2-CD1 4.45Å; I9-K114 PolarHBondContact N-O 3.36Å; I9-V115 HydrophobicContact CD1-CG1 4.43Å; I9-V115 HydrophobicContact CD1-CG2 4.06Å; I9-V115 HydrophobicContact CG1-CB 4.33Å; I9-V115 HydrophobicContact CG1-CG1 4.12Å; I9-V115 HydrophobicContact CG1-CG2 3.91Å; I9-V115 WeakPolarHBondContact O-CA 3.36Å; I9-F116 PolarHBondContact O-N 2.93Å
10	D	97.7	Very high	93.9	Very high	95 Å²	95	84.5 Å²	84.5	51%	0.508	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.1	171.7	-64.9	-19	0	0	0	108.6	F116 R118	D10-F116 WeakPolarHBondContact CA-O 3.5Å; D10-F116 WeakPolarHBondContact OD1-CB 3.1Å; D10-R118 HydrophobicContact CB-CG 3.91Å
11	V	97.3	Very high	94	Very high	10 Å²	10	80.8 Å²	80.8	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.4	-177.1	-60.3	0	0	0	0	110.4	I9 D15 F77 V115 F116 V117 R118	I9-V11 HydrophobicContact CD1-CG1 3.91Å; I9-V11 HydrophobicContact CG1-CG1 4.16Å; V11-D15 HydrophobicContact CB-CB 4.28Å; V11-F77 HydrophobicContact CB-CD2 4.08Å; V11-F77 HydrophobicContact CB-CE2 4.18Å; V11-F77 HydrophobicContact CG1-CD2 4.36Å; V11-F77 HydrophobicContact CG1-CE2 3.99Å; V11-F77 HydrophobicContact CG2-CD1 3.97Å; V11-F77 HydrophobicContact CG2-CD2 3.72Å; V11-F77 HydrophobicContact CG2-CE1 4.12Å; V11-F77 HydrophobicContact CG2-CE2 3.87Å; V11-F77 HydrophobicContact CG2-CG 3.79Å; V11-F77 HydrophobicContact CG2-CZ 4.09Å; V11-V115 HydrophobicContact CB-CG1 4.48Å; V11-V115 HydrophobicContact CG1-CG1 4.16Å; V11-V115 HydrophobicContact CG2-CG1 3.51Å; V11-F116 PolarHBondContact N-O 3.4Å; V11-V117 HydrophobicContact CG2-CB 4.46Å; V11-V117 HydrophobicContact CG2-CG2 3.93Å; V11-V117 CarbonylContact O-C 3.52Å; V11-V117 WeakPolarHBondContact O-CA 3.46Å; V11-R118 WeakPolarHBondContact O-CB 3.42Å; V11-R118 PolarHBondContact O-N 2.9Å
12	C	97.4	Very high	94.7	Very high	12 Å²	12	71.9 Å²	71.9	8%	0.081	35%	0.345	C	S	.	.			trans	-100.3	163.5	169.1	-72.4	0	0	0	0	112	N14 D15 R118 C123	C12-N14 PolarHBondContact O-N 2.96Å; C12-D15 WeakPolarHBondContact CB-OD2 3.04Å; C12-D15 PolarHBondContact N-OD2 3.18Å; C12-D15 VanDerWaalsContact O-CB 3.31Å; C12-D15 WeakPolarHBondContact O-CB 3.48Å; C12-D15 PolarHBondContact O-N 3.08Å; C12-D15 VanDerWaalsContact O-N 3.14Å; C12-R118 PolarHBondContact SG-NH2 2.91Å; C12-C123 WeakPolarHBondContact CA-SG 3.45Å; C12-C123 HydrophobicContact CB-CB 3.77Å; C12-C123 WeakPolarHBondContact CB-SG 3.06Å; C12-C123 WeakPolarHBondContact SG-CA 3.07Å; C12-C123 WeakPolarHBondContact SG-CB 3.36Å; C12-C123 CovalentContact SG-SG 2.03Å; C12-C123 PolarHBondContact SG-SG 3.31Å
13	I	96.4	Very high	95.2	Very high	36 Å²	36	71.3 Å²	71.3	19%	0.185	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138.7	166.9	-68.3	-63.1	0	0	0	109.1	D15 F77 L79 F89 P91 V117	I13-D15 PolarHBondContact O-N 3.26Å; I13-F77 CarbonylContact C-O 3.57Å; I13-F77 VanDerWaalsContact CA-O 3.27Å; I13-F77 WeakPolarHBondContact CA-O 3.34Å; I13-F77 WeakPolarHBondContact CD1-O 3.29Å; I13-L79 HydrophobicContact CD1-CD2 3.92Å; I13-L79 HydrophobicContact CD1-CG 4.24Å; I13-L79 HydrophobicContact CG1-CD2 4.25Å; I13-L79 HydrophobicContact CG1-CG 4.45Å; I13-L79 HydrophobicContact CG2-CD1 4.31Å; I13-L79 HydrophobicContact CG2-CG 3.93Å; I13-F89 HydrophobicContact CD1-CB 4.31Å; I13-P91 HydrophobicContact CD1-CG 4.26Å; I13-P91 HydrophobicContact CG1-CG 3.79Å; I13-V117 HydrophobicContact CD1-CG1 3.64Å; I13-V117 HydrophobicContact CG1-CG1 4.01Å
14	N	94.9	Very high	95.9	Very high	92 Å²	92	64.6 Å²	64.6	49%	0.492	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	0.2	-173.3	-53.9	-45.9	0	0	0	116	C12 Y16 F77	C12-N14 PolarHBondContact O-N 2.96Å; N14-Y16 WeakPolarHBondContact O-CE2 3.43Å; N14-F77 PolarHBondContact N-O 2.77Å
15	D	97.3	Very high	96.4	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.374	30%	0.304	S	S	.	.			trans	-68	165.3	166.5	-72.1	-10	0	0	0	110.5	V11 C12 I13 F77	V11-D15 HydrophobicContact CB-CB 4.28Å; C12-D15 WeakPolarHBondContact CB-OD2 3.04Å; C12-D15 PolarHBondContact N-OD2 3.18Å; C12-D15 VanDerWaalsContact O-CB 3.31Å; C12-D15 WeakPolarHBondContact O-CB 3.48Å; C12-D15 PolarHBondContact O-N 3.08Å; C12-D15 VanDerWaalsContact O-N 3.14Å; I13-D15 PolarHBondContact O-N 3.26Å; D15-F77 HydrophobicContact CB-CD2 4.44Å; D15-F77 WeakPolarHBondContact O-CD2 3.48Å; D15-F77 PolarHBondContact O-N 2.03Å
16	Y	96.9	Very high	96.7	Very high	140 Å²	140	67 Å²	67	55%	0.549	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.1	178.7	-67.4	-98.7	0	0	0	110.6	N14 E75 K76	N14-Y16 WeakPolarHBondContact O-CE2 3.43Å; Y16-E75 CarbonylContact C-O 3.6Å; Y16-E75 VanDerWaalsContact CA-O 3.25Å; Y16-E75 WeakPolarHBondContact CA-O 3.29Å; Y16-K76 HydrophobicContact CD1-CB 4.05Å; Y16-K76 HydrophobicContact CD1-CG 4.29Å; Y16-K76 HydrophobicContact CE1-CB 3.79Å; Y16-K76 HydrophobicContact CE1-CD 3.96Å; Y16-K76 HydrophobicContact CE1-CG 3.82Å; Y16-K76 HydrophobicContact CE2-CD 4.49Å; Y16-K76 HydrophobicContact CE2-CG 4.34Å; Y16-K76 WeakPolarHBondContact OH-CD 3.01Å; Y16-K76 WeakPolarHBondContact OH-CE 3.37Å; Y16-K76 PolarHBondContact OH-NZ 3.13Å
17	L	97.3	Very high	96.9	Very high	21 Å²	21	67 Å²	67	11%	0.11	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.1	165.2	164.8	64.5	0	0	0	108.3	I9 V19 S74 E75 F77 L113 V115	I9-L17 HydrophobicContact CD1-CD1 3.88Å; I9-L17 HydrophobicContact CD1-CD2 4.49Å; L17-V19 HydrophobicContact CD1-CG2 4.27Å; L17-V19 HydrophobicContact CD2-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 3.97Å; L17-S74 CarbonylContact O-C 3.54Å; L17-S74 WeakPolarHBondContact O-CA 3.4Å; L17-E75 HydrophobicContact CB-CB 4.24Å; L17-E75 PolarHBondContact N-O 3.46Å; L17-E75 PolarHBondContact O-N 3.32Å; L17-F77 HydrophobicContact CB-CE2 3.55Å; L17-F77 HydrophobicContact CB-CZ 3.79Å; L17-F77 HydrophobicContact CD2-CZ 4.19Å; L17-L113 HydrophobicContact CD1-CD2 4.43Å; L17-L113 HydrophobicContact CD2-CD2 3.87Å; L17-V115 HydrophobicContact CD2-CG2 4.3Å
18	D	96.9	Very high	96.9	Very high	63 Å²	63	66.6 Å²	66.6	34%	0.337	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.1	171.6	-70.7	-27.7	0	0	0	110.2	F20 K72 F73 S74	D18-F20 HydrophobicContact CB-CE2 3.91Å; D18-F20 HydrophobicContact CB-CZ 4.36Å; D18-K72 VanDerWaalsContact CG-NZ 3.29Å; D18-K72 WeakPolarHBondContact OD1-CE 3.38Å; D18-K72 IonicContact OD1-NZ 2.56Å; D18-K72 PolarHBondContact OD1-NZ 3.01Å; D18-K72 WeakPolarHBondContact OD2-CE 3.44Å; D18-K72 IonicContact OD2-NZ 3.55Å; D18-K72 PolarHBondContact OD2-NZ 3.45Å; D18-F73 WeakPolarHBondContact CA-O 3.39Å; D18-S74 WeakPolarHBondContact OD1-CB 3.29Å; D18-S74 PolarHBondContact OD1-OG 3.31Å
19	V	96.8	Very high	96.8	Very high	24 Å²	24	64.8 Å²	64.8	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.9	174.4	-176.3	0	0	0	0	108.4	L17 K72 F73	L17-V19 HydrophobicContact CD1-CG2 4.27Å; L17-V19 HydrophobicContact CD2-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 3.97Å; V19-K72 WeakPolarHBondContact O-CA 3.48Å; V19-F73 PolarHBondContact N-O 2.04Å; V19-F73 PolarHBondContact O-N 3.37Å
20	F	97.2	Very high	96.4	Very high	114 Å²	114	66.7 Å²	66.7	50%	0.5	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.7	174.6	-63.8	-89.3	0	0	0	109.6	D18 P70 L71 K72	D18-F20 HydrophobicContact CB-CE2 3.91Å; D18-F20 HydrophobicContact CB-CZ 4.36Å; F20-P70 HydrophobicContact CB-CB 4.42Å; F20-P70 HydrophobicContact CD1-CB 4.34Å; F20-L71 WeakPolarHBondContact CA-O 3.42Å; F20-K72 HydrophobicContact CD1-CB 4.02Å; F20-K72 HydrophobicContact CD1-CG 4.18Å; F20-K72 HydrophobicContact CE1-CB 3.89Å; F20-K72 HydrophobicContact CE1-CD 3.77Å; F20-K72 HydrophobicContact CE1-CG 3.75Å; F20-K72 HydrophobicContact CZ-CD 3.9Å; F20-K72 HydrophobicContact CZ-CG 4.07Å
21	C	96.9	Very high	96.1	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.054	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-72.8	158.3	172.9	-66.2	0	0	0	0	111.6	H23 C61 L71 F73	C21-H23 PolarHBondContact O-N 3.11Å; C21-C61 VanDerWaalsContact CA-SG 3.51Å; C21-C61 HydrophobicContact CB-CB 3.55Å; C21-C61 WeakPolarHBondContact CB-SG 3.38Å; C21-C61 WeakPolarHBondContact SG-CA 3.13Å; C21-C61 WeakPolarHBondContact SG-CB 3.08Å; C21-C61 CovalentContact SG-SG 2.03Å; C21-C61 PolarHBondContact SG-SG 3.3Å; C21-L71 HydrophobicContact CB-CB 4Å; C21-L71 PolarHBondContact N-O 3.35Å; C21-F73 VanDerWaalsContact SG-CE2 3.55Å
22	P	96.6	Very high	95.9	Very high	25 Å²	25	74.9 Å²	74.9	16%	0.162	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-56.3	135.7	168.1	-23.1	34.7	0	0	0	110.4	Y24 E34 Y36	P22-Y24 HydrophobicContact CB-CE2 3.58Å; P22-E34 HydrophobicContact CB-CB 4.14Å; P22-E34 HydrophobicContact CG-CB 3.98Å; P22-Y36 HydrophobicContact CG-CD1 4.19Å; P22-Y36 HydrophobicContact CG-CE1 3.51Å
23	H	97.4	Very high	95.8	Very high	77 Å²	77	74.9 Å²	74.9	36%	0.356	38%	0.38	S	S	.	.			trans	-134.1	138.5	177.9	-178.6	-94.1	0	0	0	109	C21 P64 S66 G69 P70	C21-H23 PolarHBondContact O-N 3.11Å; H23-P64 WeakPolarHBondContact CA-O 3.26Å; H23-P64 PolarHBondContact CD2-O 3.07Å; H23-P64 VanDerWaalsContact CD2-O 3.31Å; H23-S66 PolarHBondContact NE2-O 2.91Å; H23-G69 VanDerWaalsContact CD2-C 3.47Å; H23-P70 HydrophobicContact CB-CB 3.83Å; H23-P70 HydrophobicContact CB-CG 3.64Å
24	Y	97.6	Very high	95.7	Very high	55 Å²	55	78.6 Å²	78.6	22%	0.216	40%	0.397	C	S	.	.			trans	-135.9	150.4	-175	-58.3	-92.4	0	0	0	109.6	P22 V28 T33 E34 P64 H65	P22-Y24 HydrophobicContact CB-CE2 3.58Å; Y24-V28 HydrophobicContact CD1-CG1 4.3Å; Y24-T33 HydrophobicContact CD2-CG2 3.77Å; Y24-T33 HydrophobicContact CE2-CG2 4.29Å; Y24-T33 HydrophobicContact CG-CG2 4.01Å; Y24-E34 HydrophobicContact CE2-CB 4.49Å; Y24-E34 WeakPolarHBondContact OH-CB 3.21Å; Y24-E34 VanDerWaalsContact OH-CG 3.32Å; Y24-E34 WeakPolarHBondContact OH-CG 3.3Å; Y24-E34 PolarHBondContact OH-N 3.06Å; Y24-P64 HydrophobicContact CD2-CB 3.87Å; Y24-P64 HydrophobicContact CE2-CB 4.46Å; Y24-P64 PolarHBondContact N-O 3.21Å; Y24-H65 PolarHBondContact O-ND1 3.43Å; Y24-H65 VanDerWaalsContact O-ND1 3.08Å
25	E	96.6	Very high	95.7	Very high	146 Å²	146	77.2 Å²	77.2	68%	0.682	38%	0.384	S	S	*	.			trans	-61.9	151.1	170.7	-63.7	-179.1	-177.9	0	0	111.1	S27 V28 H65	E25-S27 PolarHBondContact O-N 2.8Å; E25-S27 PolarHBondContact OE2-OG 3.29Å; E25-V28 WeakPolarHBondContact O-CB 3.43Å; E25-V28 PolarHBondContact O-N 2.67Å; E25-H65 PolarHBondContact O-CE1 3.5Å; E25-H65 PolarHBondContact O-ND1 2.71Å
26	D	95.1	Very high	95.6	Very high	140 Å²	140	75.1 Å²	75.1	75%	0.749	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16	179.3	-60.4	-24.8	0	0	0	113.7	V28 H65	D26-V28 VanDerWaalsContact C-N 3.26Å; D26-V28 PolarHBondContact O-N 3.2Å; D26-H65 IonicContact OD1-ND1 3.48Å
27	S	96.5	Very high	95.5	Very high	92 Å²	92	69 Å²	69	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.4	174.6	65.9	0	0	0	0	113.2	E25 P29	E25-S27 PolarHBondContact O-N 2.8Å; E25-S27 PolarHBondContact OE2-OG 3.29Å; S27-P29 WeakPolarHBondContact O-CD 3.32Å
28	V	97.1	Very high	95.4	Very high	41 Å²	41	69 Å²	69	25%	0.248	35%	0.348	C	S	.	.	S	Bend	trans	-84.1	123.1	-178.3	-177.3	0	0	0	0	109.6	Y24 E25 D26 K32 T33 H65	Y24-V28 HydrophobicContact CD1-CG1 4.3Å; E25-V28 WeakPolarHBondContact O-CB 3.43Å; E25-V28 PolarHBondContact O-N 2.67Å; D26-V28 VanDerWaalsContact C-N 3.26Å; D26-V28 PolarHBondContact O-N 3.2Å; V28-K32 HydrophobicContact CG1-CB 4.17Å; V28-T33 HydrophobicContact CG1-CG2 4.05Å; V28-H65 PolarHBondContact O-CE1 2.99Å; V28-H65 PolarHBondContact O-NE2 3.07Å
29	P	95.1	Very high	95.4	Very high	62 Å²	62	67.6 Å²	67.6	40%	0.403	34%	0.339	S	S	.	.			trans	-63.4	143.4	176.5	-25.8	36.7	0	0	0	113.5	S27 D31 K32	S27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-D31 WeakPolarHBondContact CB-OD1 3.4Å; P29-D31 PolarHBondContact O-N 3.27Å; P29-D31 VanDerWaalsContact O-N 3.13Å; P29-K32 PolarHBondContact O-N 3.36Å
30	E	90.4	Very high	95.4	Very high	78 Å²	78	67.3 Å²	67.3	36%	0.364	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-53.9	-35.2	-177.7	-172.4	75.1	-167	0	0	113.3	K32 T33 R35 H65	E30-K32 PolarHBondContact O-N 2.88Å; E30-T33 PolarHBondContact O-N 3.29Å; E30-T33 VanDerWaalsContact O-N 3.11Å; E30-T33 PolarHBondContact O-OG1 3.28Å; E30-R35 WeakPolarHBondContact OE1-CD 3.45Å; E30-R35 IonicContact OE1-CZ 3.65Å; E30-R35 VanDerWaalsContact OE1-CZ 3.26Å; E30-R35 IonicContact OE1-NE 2.67Å; E30-R35 IonicContact OE1-NH1 3.26Å; E30-R35 PolarHBondContact OE1-NH1 2.73Å; E30-H65 IonicContact OE2-CD2 3.92Å; E30-H65 IonicContact OE2-NE2 3.87Å
31	D	90.8	Very high	95.3	Very high	131 Å²	131	62.5 Å²	62.5	70%	0.701	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-67	-18.7	178.9	62.8	-62.5	0	0	0	113.7	P29	P29-D31 WeakPolarHBondContact CB-OD1 3.4Å; P29-D31 PolarHBondContact O-N 3.27Å; P29-D31 VanDerWaalsContact O-N 3.13Å
32	K	93.1	Very high	95.3	Very high	146 Å²	146	65 Å²	65	64%	0.635	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-98.9	-0.5	175.9	-62.5	-174.9	-178.9	175.1	0	113.1	V28 P29 E30	V28-K32 HydrophobicContact CG1-CB 4.17Å; P29-K32 PolarHBondContact O-N 3.36Å; E30-K32 PolarHBondContact O-N 2.88Å
33	T	94.6	Very high	95.2	Very high	12 Å²	12	69.4 Å²	69.4	7%	0.074	35%	0.346	C	S	.	.	S	Bend	trans	-91.2	141.1	179.6	67.9	0	0	0	0	111.6	Y24 V28 E30 P64	Y24-T33 HydrophobicContact CD2-CG2 3.77Å; Y24-T33 HydrophobicContact CE2-CG2 4.29Å; Y24-T33 HydrophobicContact CG-CG2 4.01Å; V28-T33 HydrophobicContact CG1-CG2 4.05Å; E30-T33 PolarHBondContact O-N 3.29Å; E30-T33 VanDerWaalsContact O-N 3.11Å; E30-T33 PolarHBondContact O-OG1 3.28Å; T33-P64 HydrophobicContact CG2-CB 3.91Å; T33-P64 HydrophobicContact CG2-CG 4.16Å; T33-P64 WeakPolarHBondContact OG1-CG 3.42Å
34	E	93.9	Very high	95.1	Very high	114 Å²	114	70.3 Å²	70.3	53%	0.533	35%	0.353	S	S	.	.			trans	-83.8	129.4	174.4	-66.7	177.5	-149.4	0	0	110.8	P22 Y24	P22-E34 HydrophobicContact CB-CB 4.14Å; P22-E34 HydrophobicContact CG-CB 3.98Å; Y24-E34 HydrophobicContact CE2-CB 4.49Å; Y24-E34 WeakPolarHBondContact OH-CB 3.21Å; Y24-E34 VanDerWaalsContact OH-CG 3.32Å; Y24-E34 WeakPolarHBondContact OH-CG 3.3Å; Y24-E34 PolarHBondContact OH-N 3.06Å
35	R	94.8	Very high	95	Very high	63 Å²	63	67.7 Å²	67.7	24%	0.238	34%	0.343	C	S	.	.			trans	-131.3	142.3	173.4	-66.4	170.4	-66.8	179.7	1.4	108.7	E30 C61 P64 A101 I102	E30-R35 WeakPolarHBondContact OE1-CD 3.45Å; E30-R35 IonicContact OE1-CZ 3.65Å; E30-R35 VanDerWaalsContact OE1-CZ 3.26Å; E30-R35 IonicContact OE1-NE 2.67Å; E30-R35 IonicContact OE1-NH1 3.26Å; E30-R35 PolarHBondContact OE1-NH1 2.73Å; R35-C61 VanDerWaalsContact CA-O 3.29Å; R35-C61 WeakPolarHBondContact CA-O 2.92Å; R35-C61 WeakPolarHBondContact CB-O 3.46Å; R35-P64 HydrophobicContact CG-CG 4.37Å; R35-A101 CarbonylContact O-C 3.58Å; R35-A101 WeakPolarHBondContact O-CA 3.48Å; R35-I102 HydrophobicContact CB-CB 3.98Å; R35-I102 HydrophobicContact CB-CD1 4.47Å; R35-I102 PolarHBondContact O-N 3.43Å
36	Y	95.3	Very high	94.9	Very high	26 Å²	26	61.8 Å²	61.8	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.5	178.8	58.1	-104.7	0	0	0	112.7	P22 L38 C61 S100	P22-Y36 HydrophobicContact CG-CD1 4.19Å; P22-Y36 HydrophobicContact CG-CE1 3.51Å; Y36-L38 HydrophobicContact CE2-CD1 4.47Å; Y36-C61 HydrophobicContact CD1-CB 4.48Å; Y36-C61 HydrophobicContact CD2-CB 3.99Å; Y36-C61 HydrophobicContact CE1-CB 4.41Å; Y36-C61 HydrophobicContact CE2-CB 3.89Å; Y36-C61 WeakPolarHBondContact CE2-SG 2.98Å; Y36-C61 HydrophobicContact CG-CB 4.27Å; Y36-C61 VanDerWaalsContact CZ-SG 3.54Å; Y36-C61 PolarHBondContact N-O 3.02Å; Y36-C61 VanDerWaalsContact N-O 3.11Å; Y36-C61 WeakPolarHBondContact O-CA 3.25Å; Y36-C61 WeakPolarHBondContact O-CB 3.36Å; Y36-C61 PolarHBondContact O-N 2.56Å; Y36-S100 CarbonylContact C-O 3.59Å; Y36-S100 WeakPolarHBondContact CA-O 3.21Å; Y36-S100 WeakPolarHBondContact CB-O 3.25Å
37	V	95.6	Very high	94.9	Very high	11 Å²	11	58.1 Å²	58.1	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	166.6	-173.7	0	0	0	0	108.6	Y39 K57 W59 E60 S99 S100 I102	V37-Y39 HydrophobicContact CB-CD2 4.43Å; V37-Y39 HydrophobicContact CB-CE2 3.56Å; V37-Y39 HydrophobicContact CG1-CD2 4.22Å; V37-Y39 HydrophobicContact CG1-CE1 4.1Å; V37-Y39 HydrophobicContact CG1-CE2 3.51Å; V37-Y39 VanDerWaalsContact CG1-CZ 3.43Å; V37-Y39 WeakPolarHBondContact CG1-OH 3.2Å; V37-K57 HydrophobicContact CG1-CD 4.14Å; V37-K57 HydrophobicContact CG1-CG 3.69Å; V37-W59 WeakPolarHBondContact CG1-O 3.5Å; V37-E60 HydrophobicContact CG1-CG 4.19Å; V37-E60 HydrophobicContact CG2-CG 4.13Å; V37-S99 CarbonylContact O-C 3.54Å; V37-S99 VanDerWaalsContact O-CA 3.31Å; V37-S99 WeakPolarHBondContact O-CA 3.42Å; V37-S100 PolarHBondContact N-O 2.87Å; V37-S100 PolarHBondContact O-N 3.4Å; V37-I102 HydrophobicContact CG2-CD1 3.66Å; V37-I102 HydrophobicContact CG2-CG1 4.03Å
38	L	96	Very high	94.7	Very high	20 Å²	20	57.2 Å²	57.2	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.8	174.6	-159.3	78.9	0	0	0	110.3	Y36 R58 W59 Y97	Y36-L38 HydrophobicContact CE2-CD1 4.47Å; L38-R58 PolarHBondContact O-N 2.88Å; L38-W59 HydrophobicContact CB-CE3 4.39Å; L38-W59 HydrophobicContact CD2-CE3 3.46Å; L38-W59 VanDerWaalsContact CD2-CE3 3.46Å; L38-W59 HydrophobicContact CD2-CZ3 3.58Å; L38-W59 HydrophobicContact CG-CE3 4.49Å; L38-W59 PolarHBondContact N-O 3.48Å; L38-W59 PolarHBondContact O-N 2.9Å; L38-Y97 HydrophobicContact CD2-CD1 3.95Å; L38-Y97 HydrophobicContact CG-CD1 4.49Å
39	Y	95.9	Very high	94.5	Very high	35 Å²	35	56.6 Å²	56.6	14%	0.137	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.1	177.4	-60.2	-93.9	0	0	0	110.3	V37 H51 F56 K57 Y97 I98	V37-Y39 HydrophobicContact CB-CD2 4.43Å; V37-Y39 HydrophobicContact CB-CE2 3.56Å; V37-Y39 HydrophobicContact CG1-CD2 4.22Å; V37-Y39 HydrophobicContact CG1-CE1 4.1Å; V37-Y39 HydrophobicContact CG1-CE2 3.51Å; V37-Y39 VanDerWaalsContact CG1-CZ 3.43Å; V37-Y39 WeakPolarHBondContact CG1-OH 3.2Å; Y39-H51 HydrophobicContact CD1-CB 3.74Å; Y39-H51 AromaticContact CD1-CD2 3.78Å; Y39-H51 AromaticContact CD1-CG 3.99Å; Y39-H51 HydrophobicContact CD2-CB 3.83Å; Y39-H51 AromaticContact CD2-CD2 3.97Å; Y39-H51 AromaticContact CD2-CG 3.77Å; Y39-H51 HydrophobicContact CE1-CB 4.22Å; Y39-H51 AromaticContact CE1-CD2 3.32Å; Y39-H51 WeakPolarHBondContact CE1-CD2 3.38Å; Y39-H51 AromaticContact CE1-CG 3.98Å; Y39-H51 HydrophobicContact CE2-CB 4.3Å; Y39-H51 AromaticContact CE2-CD2 3.53Å; Y39-H51 AromaticContact CE2-CG 3.74Å; Y39-H51 AromaticContact CE2-NE2 3.81Å; Y39-H51 HydrophobicContact CG-CB 3.53Å; Y39-H51 AromaticContact CG-CG 3.9Å; Y39-H51 AromaticContact CZ-CD2 3.18Å; Y39-H51 AromaticContact CZ-CG 3.86Å; Y39-H51 AromaticContact CZ-NE2 3.55Å; Y39-H51 PolarHBondContact OH-NE2 3.33Å; Y39-F56 VanDerWaalsContact CA-O 3.29Å; Y39-F56 WeakPolarHBondContact CA-O 3.44Å; Y39-K57 HydrophobicContact CD1-CB 4.05Å; Y39-K57 HydrophobicContact CE1-CB 3.82Å; Y39-K57 HydrophobicContact CE1-CG 4.31Å; Y39-Y97 CarbonylContact O-C 3.57Å; Y39-Y97 VanDerWaalsContact O-CA 3.26Å; Y39-Y97 WeakPolarHBondContact O-CA 3.45Å; Y39-I98 PolarHBondContact N-O 2.8Å; Y39-I98 PolarHBondContact O-N 2.75Å
40	M	96.1	Very high	94.3	Very high	18 Å²	18	56.2 Å²	56.2	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.1	163.7	-172.9	176.6	-179.7	0	0	108.2	G55 F56 F87 F89 Y95 F96 Y97	M40-G55 CarbonylContact O-C 3.56Å; M40-G55 VanDerWaalsContact O-CA 3.23Å; M40-G55 WeakPolarHBondContact O-CA 3.37Å; M40-F56 PolarHBondContact N-O 2.9Å; M40-F56 PolarHBondContact O-N 3.46Å; M40-F87 HydrophobicContact CE-CD1 4.14Å; M40-F87 HydrophobicContact SD-CB 4.38Å; M40-F87 HydrophobicContact SD-CD1 3.43Å; M40-F87 WeakPolarHBondContact SD-CD1 3.11Å; M40-F87 HydrophobicContact SD-CD2 4.35Å; M40-F87 HydrophobicContact SD-CE1 3.71Å; M40-F87 HydrophobicContact SD-CG 3.78Å; M40-F87 HydrophobicContact SD-CZ 4.3Å; M40-F89 HydrophobicContact CE-CE1 3.86Å; M40-F89 HydrophobicContact CE-CZ 4.3Å; M40-Y95 HydrophobicContact CE-CD1 3.34Å; M40-Y95 HydrophobicContact CE-CE1 4.09Å; M40-Y95 HydrophobicContact CE-CG 4.14Å; M40-F96 WeakPolarHBondContact CA-O 3.45Å; M40-Y97 HydrophobicContact CB-CD1 4.16Å; M40-Y97 HydrophobicContact CB-CE1 3.99Å; M40-Y97 HydrophobicContact CG-CD1 4.46Å; M40-Y97 HydrophobicContact CG-CE1 4.09Å; M40-Y97 HydrophobicContact SD-CE1 4.39Å
41	V	96.3	Very high	94.4	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	166	-172	-66.8	0	0	0	0	111.7	H51 K54 F96 I98	V41-H51 HydrophobicContact CG1-CB 4.27Å; V41-K54 WeakPolarHBondContact CA-O 3.43Å; V41-F96 HydrophobicContact CG2-CB 4.07Å; V41-F96 PolarHBondContact N-O 2.85Å; V41-I98 HydrophobicContact CG1-CD1 3.85Å; V41-I98 HydrophobicContact CG1-CG1 3.85Å; V41-I98 HydrophobicContact CG2-CD1 4.3Å; V41-I98 HydrophobicContact CG2-CG1 4.08Å; V41-I98 HydrophobicContact CG2-CG2 3.94Å
42	N	95.9	Very high	94.3	Very high	59 Å²	59	54 Å²	54	32%	0.316	28%	0.279	S	S	.	.			trans	-77	176.9	165.4	78.1	-17.1	0	0	0	111.6	D44 G45 Y46 K54	N42-D44 VanDerWaalsContact C-N 3.32Å; N42-D44 PolarHBondContact ND2-OD2 3.02Å; N42-D44 PolarHBondContact O-N 3.11Å; N42-D44 PolarHBondContact OD1-N 2.82Å; N42-G45 PolarHBondContact O-N 3.19Å; N42-G45 PolarHBondContact OD1-N 3.01Å; N42-Y46 PolarHBondContact O-N 2.76Å; N42-K54 PolarHBondContact N-O 2.03Å; N42-K54 WeakPolarHBondContact OD1-CB 3.45Å
43	F	95.9	Very high	93.7	Very high	119 Å²	119	51.1 Å²	51.1	52%	0.522	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-38.3	-179.8	178.2	-102.1	0	0	0	113.6	Y46 S47 F96	F43-Y46 WeakPolarHBondContact O-CB 3.44Å; F43-Y46 PolarHBondContact O-N 3.11Å; F43-S47 WeakPolarHBondContact O-CB 2.94Å; F43-S47 PolarHBondContact O-N 3.41Å; F43-S47 PolarHBondContact O-OG 3.14Å; F43-F96 HydrophobicContact CB-CD2 4.45Å; F43-F96 HydrophobicContact CB-CE2 3.93Å; F43-F96 HydrophobicContact CB-CZ 4.18Å; F43-F96 AromaticContact CD2-CE1 3.96Å; F43-F96 HydrophobicContact CD2-CE1 3.96Å; F43-F96 HydrophobicContact CD2-CE2 4.35Å; F43-F96 AromaticContact CD2-CZ 3.75Å; F43-F96 HydrophobicContact CD2-CZ 3.75Å; F43-F96 HydrophobicContact CG-CZ 4.46Å
44	D	94.8	Very high	92.9	Very high	96 Å²	96	55.4 Å²	55.4	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-48.8	178.6	-57	-33.2	0	0	0	110.7	N42 Y46 S47 S48	N42-D44 VanDerWaalsContact C-N 3.32Å; N42-D44 PolarHBondContact ND2-OD2 3.02Å; N42-D44 PolarHBondContact O-N 3.11Å; N42-D44 PolarHBondContact OD1-N 2.82Å; D44-Y46 VanDerWaalsContact C-N 3.31Å; D44-Y46 PolarHBondContact O-N 2.74Å; D44-S47 PolarHBondContact O-N 3.29Å; D44-S47 VanDerWaalsContact O-N 3.1Å; D44-S48 PolarHBondContact O-N 2.9Å; D44-S48 PolarHBondContact O-OG 2.85Å
45	G	94.9	Very high	92.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-36.6	176.6	0	0	0	0	0	112.8	N42 S47 C49 D50	N42-G45 PolarHBondContact O-N 3.19Å; N42-G45 PolarHBondContact OD1-N 3.01Å; G45-S47 VanDerWaalsContact C-N 3.33Å; G45-S47 PolarHBondContact O-N 3.15Å; G45-C49 CarbonylContact O-C 3.57Å; G45-C49 WeakPolarHBondContact O-CA 3.45Å; G45-C49 PolarHBondContact O-N 3.05Å; G45-D50 WeakPolarHBondContact CA-O 3.01Å; G45-D50 PolarHBondContact O-N 3.1Å; G45-D50 VanDerWaalsContact O-N 3.12Å
46	Y	95.5	Very high	92.2	Very high	22 Å²	22	54.5 Å²	54.5	9%	0.086	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-37.9	172.7	175.1	-94.7	0	0	0	113	N42 F43 D44 F96 I98 K112 K114	N42-Y46 PolarHBondContact O-N 2.76Å; F43-Y46 WeakPolarHBondContact O-CB 3.44Å; F43-Y46 PolarHBondContact O-N 3.11Å; D44-Y46 VanDerWaalsContact C-N 3.31Å; D44-Y46 PolarHBondContact O-N 2.74Å; Y46-F96 AromaticContact CD1-CD1 3.91Å; Y46-F96 HydrophobicContact CD1-CD1 3.91Å; Y46-F96 HydrophobicContact CD1-CE1 4.39Å; Y46-F96 HydrophobicContact CD2-CB 3.75Å; Y46-F96 AromaticContact CD2-CD1 3.81Å; Y46-F96 HydrophobicContact CD2-CD1 3.81Å; Y46-F96 HydrophobicContact CD2-CG 4.2Å; Y46-F96 HydrophobicContact CE1-CD1 4.37Å; Y46-F96 HydrophobicContact CE2-CD1 4.23Å; Y46-F96 HydrophobicContact CG-CB 3.91Å; Y46-F96 AromaticContact CG-CD1 3.62Å; Y46-F96 HydrophobicContact CG-CD1 3.62Å; Y46-F96 HydrophobicContact CG-CG 4.02Å; Y46-I98 HydrophobicContact CD2-CG2 4.14Å; Y46-K112 HydrophobicContact CD2-CB 3.88Å; Y46-K112 HydrophobicContact CD2-CD 4.07Å; Y46-K112 HydrophobicContact CD2-CG 4.28Å; Y46-K112 HydrophobicContact CE1-CD 4.14Å; Y46-K112 HydrophobicContact CE2-CB 3.49Å; Y46-K112 VanDerWaalsContact CE2-CB 3.49Å; Y46-K112 HydrophobicContact CE2-CD 3.67Å; Y46-K112 HydrophobicContact CE2-CG 3.57Å; Y46-K112 HydrophobicContact CG-CD 4.5Å; Y46-K112 WeakPolarHBondContact O-CD 3.31Å; Y46-K112 PolarHBondContact O-NZ 3.49Å; Y46-K114 HydrophobicContact CE2-CB 4.5Å
47	S	93.8	Very high	92.1	Very high	63 Å²	63	57 Å²	57	44%	0.441	31%	0.309	S	S	.	.	H	α-helix	trans	-75.2	-39	-178.7	-61.1	0	0	0	0	111.7	F43 D44 G45	F43-S47 WeakPolarHBondContact O-CB 2.94Å; F43-S47 PolarHBondContact O-N 3.41Å; F43-S47 PolarHBondContact O-OG 3.14Å; D44-S47 PolarHBondContact O-N 3.29Å; D44-S47 VanDerWaalsContact O-N 3.1Å; G45-S47 VanDerWaalsContact C-N 3.33Å; G45-S47 PolarHBondContact O-N 3.15Å
48	S	92.6	Very high	92	Very high	73 Å²	73	59.3 Å²	59.3	51%	0.51	32%	0.316	S	S	.	.	H	α-helix	trans	-92.8	-7.7	-178.4	64.8	0	0	0	0	114.8	D44 D50	D44-S48 PolarHBondContact O-N 2.9Å; D44-S48 PolarHBondContact O-OG 2.85Å; S48-D50 PolarHBondContact O-N 2.86Å; S48-D50 WeakPolarHBondContact OG-CB 3.44Å; S48-D50 PolarHBondContact OG-N 2.82Å
49	C	92.8	Very high	92	Very high	28 Å²	28	59.5 Å²	59.5	19%	0.189	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	29.5	-168.7	-70.5	0	0	0	0	113.8	G45 C110	G45-C49 CarbonylContact O-C 3.57Å; G45-C49 WeakPolarHBondContact O-CA 3.45Å; G45-C49 PolarHBondContact O-N 3.05Å; C49-C110 HydrophobicContact CB-CB 3.65Å; C49-C110 WeakPolarHBondContact CB-SG 3.36Å; C49-C110 WeakPolarHBondContact SG-CB 3.23Å; C49-C110 PolarHBondContact SG-N 3.34Å; C49-C110 CovalentContact SG-SG 2.04Å; C49-C110 PolarHBondContact SG-SG 3.15Å
50	D	92.1	Very high	92	Very high	54 Å²	54	61 Å²	61	29%	0.289	32%	0.324	S	S	.	.			trans	-101.7	122.9	176.8	179.6	26.5	0	0	0	111.9	G45 S48 T52	G45-D50 WeakPolarHBondContact CA-O 3.01Å; G45-D50 PolarHBondContact O-N 3.1Å; G45-D50 VanDerWaalsContact O-N 3.12Å; S48-D50 PolarHBondContact O-N 2.86Å; S48-D50 WeakPolarHBondContact OG-CB 3.44Å; S48-D50 PolarHBondContact OG-N 2.82Å; D50-T52 VanDerWaalsContact OD1-CB 3.25Å; D50-T52 WeakPolarHBondContact OD1-CB 3.49Å; D50-T52 PolarHBondContact OD1-N 2.85Å; D50-T52 PolarHBondContact OD1-OG1 2.85Å
51	H	92.1	Very high	92	Very high	45 Å²	45	60.3 Å²	60.3	21%	0.208	32%	0.321	C	S	.	.			trans	-104.7	-10.9	175.1	59.6	-79.7	0	0	0	113.4	Y39 V41 S53 G55 I98	Y39-H51 HydrophobicContact CD1-CB 3.74Å; Y39-H51 AromaticContact CD1-CD2 3.78Å; Y39-H51 AromaticContact CD1-CG 3.99Å; Y39-H51 HydrophobicContact CD2-CB 3.83Å; Y39-H51 AromaticContact CD2-CD2 3.97Å; Y39-H51 AromaticContact CD2-CG 3.77Å; Y39-H51 HydrophobicContact CE1-CB 4.22Å; Y39-H51 AromaticContact CE1-CD2 3.32Å; Y39-H51 WeakPolarHBondContact CE1-CD2 3.38Å; Y39-H51 AromaticContact CE1-CG 3.98Å; Y39-H51 HydrophobicContact CE2-CB 4.3Å; Y39-H51 AromaticContact CE2-CD2 3.53Å; Y39-H51 AromaticContact CE2-CG 3.74Å; Y39-H51 AromaticContact CE2-NE2 3.81Å; Y39-H51 HydrophobicContact CG-CB 3.53Å; Y39-H51 AromaticContact CG-CG 3.9Å; Y39-H51 AromaticContact CZ-CD2 3.18Å; Y39-H51 AromaticContact CZ-CG 3.86Å; Y39-H51 AromaticContact CZ-NE2 3.55Å; Y39-H51 PolarHBondContact OH-NE2 3.33Å; V41-H51 HydrophobicContact CG1-CB 4.27Å; H51-S53 PolarHBondContact O-N 2.82Å; H51-G55 WeakPolarHBondContact O-CA 3.5Å; H51-G55 PolarHBondContact O-N 2.78Å; H51-G55 VanDerWaalsContact O-N 3.13Å; H51-I98 HydrophobicContact CB-CD1 4.11Å
52	T	87.3	Confident	91.9	Very high	118 Å²	118	62.9 Å²	62.9	72%	0.724	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.8	-165	-42.7	0	0	0	0	113.1	D50	D50-T52 VanDerWaalsContact OD1-CB 3.25Å; D50-T52 WeakPolarHBondContact OD1-CB 3.49Å; D50-T52 PolarHBondContact OD1-N 2.85Å; D50-T52 PolarHBondContact OD1-OG1 2.85Å
53	S	80.6	Confident	91.9	Very high	85 Å²	85	67.8 Å²	67.8	59%	0.594	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-5.3	-176.5	65.6	0	0	0	0	113.8	H51	H51-S53 PolarHBondContact O-N 2.82Å
54	K	77.8	Confident	92	Very high	101 Å²	101	62.4 Å²	62.4	44%	0.439	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	5.8	-166.1	-56.5	-60.8	171.5	-176.6	0	114.1	V41 N42	V41-K54 WeakPolarHBondContact CA-O 3.43Å; N42-K54 PolarHBondContact N-O 2.03Å; N42-K54 WeakPolarHBondContact OD1-CB 3.45Å
55	G	82.9	Confident	92.1	Very high	23 Å²	23	60 Å²	60	24%	0.237	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.6	-172.3	0	0	0	0	0	114.2	M40 H51	M40-G55 CarbonylContact O-C 3.56Å; M40-G55 VanDerWaalsContact O-CA 3.23Å; M40-G55 WeakPolarHBondContact O-CA 3.37Å; H51-G55 WeakPolarHBondContact O-CA 3.5Å; H51-G55 PolarHBondContact O-N 2.78Å; H51-G55 VanDerWaalsContact O-N 3.13Å
56	F	91.3	Very high	92.1	Very high	136 Å²	136	60.7 Å²	60.7	60%	0.596	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.2	166.4	-58.6	-80.8	0	0	0	108.5	Y39 M40 R58 F87	Y39-F56 VanDerWaalsContact CA-O 3.29Å; Y39-F56 WeakPolarHBondContact CA-O 3.44Å; M40-F56 PolarHBondContact N-O 2.9Å; M40-F56 PolarHBondContact O-N 3.46Å; F56-R58 PolarHBondContact O-N 2.56Å; F56-F87 HydrophobicContact CB-CE1 4.38Å; F56-F87 HydrophobicContact CB-CZ 3.76Å; F56-F87 AromaticContact CD2-CE1 3.97Å; F56-F87 HydrophobicContact CD2-CE1 3.97Å; F56-F87 HydrophobicContact CD2-CZ 4.19Å; F56-F87 HydrophobicContact CG-CE1 4.31Å; F56-F87 HydrophobicContact CG-CZ 4.07Å
57	K	93.8	Very high	92	Very high	78 Å²	78	65.5 Å²	65.5	34%	0.339	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.8	171.5	179.3	-178.3	177.1	-165.3	0	108.7	V37 Y39 E60 S158	V37-K57 HydrophobicContact CG1-CD 4.14Å; V37-K57 HydrophobicContact CG1-CG 3.69Å; Y39-K57 HydrophobicContact CD1-CB 4.05Å; Y39-K57 HydrophobicContact CE1-CB 3.82Å; Y39-K57 HydrophobicContact CE1-CG 4.31Å; K57-E60 VanDerWaalsContact CE-CD 3.49Å; K57-E60 WeakPolarHBondContact CE-OE1 2.99Å; K57-E60 VanDerWaalsContact NZ-CD 3.32Å; K57-E60 IonicContact NZ-OE1 3.04Å; K57-E60 PolarHBondContact NZ-OE1 2.93Å; K57-S158 WeakPolarHBondContact CE-OG 3.1Å; K57-S158 PolarHBondContact NZ-OG 2.87Å
58	R	94	Very high	92.1	Very high	59 Å²	59	69.9 Å²	69.9	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-49.9	-176.8	-164.6	67.9	-175.3	92.7	-5.4	111.9	L38 F56 E75	L38-R58 PolarHBondContact O-N 2.88Å; F56-R58 PolarHBondContact O-N 2.56Å; R58-E75 IonicContact CZ-OE1 3.92Å; R58-E75 IonicContact CZ-OE2 2.75Å; R58-E75 VanDerWaalsContact CZ-OE2 3.28Å; R58-E75 IonicContact NE-OE1 2.74Å; R58-E75 IonicContact NE-OE2 2.8Å; R58-E75 PolarHBondContact NE-OE2 3.36Å; R58-E75 IonicContact NH2-OE1 3.78Å; R58-E75 PolarHBondContact NH2-OE1 3.23Å; R58-E75 IonicContact NH2-OE2 3.28Å; R58-E75 PolarHBondContact NH2-OE2 3.43Å
59	W	95.2	Very high	92.2	Very high	25 Å²	25	67.3 Å²	67.3	10%	0.095	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.5	179.4	-56.1	-70.7	0	0	0	112.2	V37 L38 F73 E75 Y97	V37-W59 WeakPolarHBondContact CG1-O 3.5Å; L38-W59 HydrophobicContact CB-CE3 4.39Å; L38-W59 HydrophobicContact CD2-CE3 3.46Å; L38-W59 VanDerWaalsContact CD2-CE3 3.46Å; L38-W59 HydrophobicContact CD2-CZ3 3.58Å; L38-W59 HydrophobicContact CG-CE3 4.49Å; L38-W59 PolarHBondContact N-O 3.48Å; L38-W59 PolarHBondContact O-N 2.9Å; W59-F73 HydrophobicContact CB-CB 4.49Å; W59-F73 HydrophobicContact CB-CD1 4.06Å; W59-F73 HydrophobicContact CB-CD2 3.51Å; W59-F73 HydrophobicContact CB-CE1 4.12Å; W59-F73 HydrophobicContact CB-CE2 3.56Å; W59-F73 HydrophobicContact CB-CG 3.76Å; W59-F73 HydrophobicContact CB-CZ 3.88Å; W59-F73 AromaticContact CD1-CD1 3.16Å; W59-F73 AromaticContact CD1-CE1 3.68Å; W59-F73 AromaticContact CD1-CG 3.4Å; W59-F73 VanDerWaalsContact CD1-CG 3.4Å; W59-F73 HydrophobicContact CD2-CB 3.59Å; W59-F73 HydrophobicContact CD2-CD1 4.37Å; W59-F73 HydrophobicContact CD2-CD2 4.24Å; W59-F73 AromaticContact CD2-CG 3.82Å; W59-F73 HydrophobicContact CD2-CG 3.82Å; W59-F73 HydrophobicContact CE3-CB 4.16Å; W59-F73 HydrophobicContact CG-CB 3.72Å; W59-F73 AromaticContact CG-CD1 3.62Å; W59-F73 HydrophobicContact CG-CD1 3.62Å; W59-F73 AromaticContact CG-CD2 3.67Å; W59-F73 HydrophobicContact CG-CD2 3.67Å; W59-F73 HydrophobicContact CG-CE1 4.1Å; W59-F73 HydrophobicContact CG-CE2 4.13Å; W59-F73 AromaticContact CG-CG 3.37Å; W59-F73 HydrophobicContact CG-CG 3.37Å; W59-F73 HydrophobicContact CG-CZ 4.33Å; W59-F73 HydrophobicContact CZ2-CB 4.29Å; W59-F73 AromaticContact NE1-CD1 3.72Å; W59-F73 AromaticContact NE1-CG 3.86Å; W59-E75 HydrophobicContact CH2-CB 3.91Å; W59-E75 HydrophobicContact CH2-CG 4.45Å; W59-E75 WeakPolarHBondContact CH2-OE2 3.23Å; W59-E75 HydrophobicContact CZ2-CB 4.38Å; W59-Y97 HydrophobicContact CH2-CE1 4.49Å; W59-Y97 HydrophobicContact CZ3-CE1 4.2Å
60	E	96.3	Very high	92.4	Very high	66 Å²	66	68.8 Å²	68.8	31%	0.308	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.3	172.8	-64.1	-167.2	165.3	0	0	111.5	V37 K57 N62 F73	V37-E60 HydrophobicContact CG1-CG 4.19Å; V37-E60 HydrophobicContact CG2-CG 4.13Å; K57-E60 VanDerWaalsContact CE-CD 3.49Å; K57-E60 WeakPolarHBondContact CE-OE1 2.99Å; K57-E60 VanDerWaalsContact NZ-CD 3.32Å; K57-E60 IonicContact NZ-OE1 3.04Å; K57-E60 PolarHBondContact NZ-OE1 2.93Å; E60-N62 PolarHBondContact OE2-ND2 3.19Å; E60-F73 WeakPolarHBondContact O-CZ 3.35Å
61	C	96.4	Very high	92.5	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.027	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	81.6	167.2	-67.3	0	0	0	0	109	C21 R35 Y36	C21-C61 VanDerWaalsContact CA-SG 3.51Å; C21-C61 HydrophobicContact CB-CB 3.55Å; C21-C61 WeakPolarHBondContact CB-SG 3.38Å; C21-C61 WeakPolarHBondContact SG-CA 3.13Å; C21-C61 WeakPolarHBondContact SG-CB 3.08Å; C21-C61 CovalentContact SG-SG 2.03Å; C21-C61 PolarHBondContact SG-SG 3.3Å; R35-C61 VanDerWaalsContact CA-O 3.29Å; R35-C61 WeakPolarHBondContact CA-O 2.92Å; R35-C61 WeakPolarHBondContact CB-O 3.46Å; Y36-C61 HydrophobicContact CD1-CB 4.48Å; Y36-C61 HydrophobicContact CD2-CB 3.99Å; Y36-C61 HydrophobicContact CE1-CB 4.41Å; Y36-C61 HydrophobicContact CE2-CB 3.89Å; Y36-C61 WeakPolarHBondContact CE2-SG 2.98Å; Y36-C61 HydrophobicContact CG-CB 4.27Å; Y36-C61 VanDerWaalsContact CZ-SG 3.54Å; Y36-C61 PolarHBondContact N-O 3.02Å; Y36-C61 VanDerWaalsContact N-O 3.11Å; Y36-C61 WeakPolarHBondContact O-CA 3.25Å; Y36-C61 WeakPolarHBondContact O-CB 3.36Å; Y36-C61 PolarHBondContact O-N 2.56Å
62	N	94.9	Very high	92.7	Very high	66 Å²	66	70.5 Å²	70.5	35%	0.353	37%	0.367	S	S	.	.			trans	-118.8	4.1	-174.8	64.4	6.6	0	0	0	114	E60 P64	E60-N62 PolarHBondContact OE2-ND2 3.19Å; N62-P64 WeakPolarHBondContact O-CD 3.31Å
63	R	95.7	Very high	93.1	Very high	162 Å²	162	66.6 Å²	66.6	61%	0.611	34%	0.34	S	S	*	.			trans	-121.3	80.4	177.2	-53.3	-178.9	-175.8	161.2	-0.5	111.4	H65 S66 L71	R63-H65 VanDerWaalsContact C-N 3.25Å; R63-H65 PolarHBondContact O-N 2.95Å; R63-S66 PolarHBondContact O-N 2.98Å; R63-L71 HydrophobicContact CB-CD1 3.95Å; R63-L71 HydrophobicContact CB-CD2 4.49Å; R63-L71 HydrophobicContact CB-CG 4.3Å; R63-L71 HydrophobicContact CG-CD1 4.19Å
64	P	96.5	Very high	93.8	Very high	6 Å²	6	65.2 Å²	65.2	4%	0.039	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.8	-179.3	25.7	-33.1	0	0	0	113.4	H23 Y24 T33 R35 N62	H23-P64 WeakPolarHBondContact CA-O 3.26Å; H23-P64 PolarHBondContact CD2-O 3.07Å; H23-P64 VanDerWaalsContact CD2-O 3.31Å; Y24-P64 HydrophobicContact CD2-CB 3.87Å; Y24-P64 HydrophobicContact CE2-CB 4.46Å; Y24-P64 PolarHBondContact N-O 3.21Å; T33-P64 HydrophobicContact CG2-CB 3.91Å; T33-P64 HydrophobicContact CG2-CG 4.16Å; T33-P64 WeakPolarHBondContact OG1-CG 3.42Å; R35-P64 HydrophobicContact CG-CG 4.37Å; N62-P64 WeakPolarHBondContact O-CD 3.31Å
65	H	97	Very high	94.6	Very high	47 Å²	47	60.7 Å²	60.7	22%	0.218	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	39.1	179.4	-56.5	-67.8	0	0	0	112.2	Y24 E25 D26 V28 E30 R63	Y24-H65 PolarHBondContact O-ND1 3.43Å; Y24-H65 VanDerWaalsContact O-ND1 3.08Å; E25-H65 PolarHBondContact O-CE1 3.5Å; E25-H65 PolarHBondContact O-ND1 2.71Å; D26-H65 IonicContact OD1-ND1 3.48Å; V28-H65 PolarHBondContact O-CE1 2.99Å; V28-H65 PolarHBondContact O-NE2 3.07Å; E30-H65 IonicContact OE2-CD2 3.92Å; E30-H65 IonicContact OE2-NE2 3.87Å; R63-H65 VanDerWaalsContact C-N 3.25Å; R63-H65 PolarHBondContact O-N 2.95Å
66	S	95.9	Very high	95.2	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.098	31%	0.314	C	S	.	.			trans	-59.2	132.3	178.2	161.7	0	0	0	0	110.7	H23 R63 N68 G69	H23-S66 PolarHBondContact NE2-O 2.91Å; R63-S66 PolarHBondContact O-N 2.98Å; S66-N68 VanDerWaalsContact C-N 3.27Å; S66-N68 PolarHBondContact O-N 3.03Å; S66-G69 WeakPolarHBondContact CB-O 3.31Å; S66-G69 PolarHBondContact O-N 3.03Å; S66-G69 PolarHBondContact OG-O 2.89Å
67	P	93.7	Very high	95.5	Very high	122 Å²	122	56.3 Å²	56.3	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.1	-173.2	26.6	-35.2	0	0	0	113.1	G69	P67-G69 VanDerWaalsContact C-N 3.31Å; P67-G69 PolarHBondContact O-N 2.89Å
68	N	94.4	Very high	95.6	Very high	156 Å²	156	54.9 Å²	54.9	83%	0.834	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	29.3	-178.5	-61.2	-28.7	0	0	0	112	S66	S66-N68 VanDerWaalsContact C-N 3.27Å; S66-N68 PolarHBondContact O-N 3.03Å
69	G	95.3	Very high	95.7	Very high	18 Å²	18	55 Å²	55	19%	0.186	28%	0.284	C	S	.	.	S	Bend	trans	77.8	-164.3	-174.1	0	0	0	0	0	113.3	H23 S66 P67 L71	H23-G69 VanDerWaalsContact CD2-C 3.47Å; S66-G69 WeakPolarHBondContact CB-O 3.31Å; S66-G69 PolarHBondContact O-N 3.03Å; S66-G69 PolarHBondContact OG-O 2.89Å; P67-G69 VanDerWaalsContact C-N 3.31Å; P67-G69 PolarHBondContact O-N 2.89Å; G69-L71 PolarHBondContact O-N 3.44Å
70	P	96.6	Very high	95.6	Very high	59 Å²	59	60.4 Å²	60.4	38%	0.383	31%	0.309	S	S	.	.	S	Bend	trans	-59.5	137.5	-176.8	-16.4	25	0	0	0	112.2	F20 H23 K72	F20-P70 HydrophobicContact CB-CB 4.42Å; F20-P70 HydrophobicContact CD1-CB 4.34Å; H23-P70 HydrophobicContact CB-CB 3.83Å; H23-P70 HydrophobicContact CB-CG 3.64Å; P70-K72 PolarHBondContact O-N 2.92Å
71	L	95.7	Very high	95.4	Very high	31 Å²	31	58.7 Å²	58.7	16%	0.162	30%	0.303	C	S	.	.			trans	-58.5	131.9	167.9	-59.9	-177.7	0	0	0	109	F20 C21 R63 G69 F73	F20-L71 WeakPolarHBondContact CA-O 3.42Å; C21-L71 HydrophobicContact CB-CB 4Å; C21-L71 PolarHBondContact N-O 3.35Å; R63-L71 HydrophobicContact CB-CD1 3.95Å; R63-L71 HydrophobicContact CB-CD2 4.49Å; R63-L71 HydrophobicContact CB-CG 4.3Å; R63-L71 HydrophobicContact CG-CD1 4.19Å; G69-L71 PolarHBondContact O-N 3.44Å; L71-F73 HydrophobicContact CB-CE2 4.42Å; L71-F73 HydrophobicContact CD1-CZ 4.47Å
72	K	96.1	Very high	95	Very high	105 Å²	105	65 Å²	65	46%	0.457	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.8	179.7	178.9	-173.5	173.4	174.1	0	109.3	D18 V19 F20 P70 S74	D18-K72 VanDerWaalsContact CG-NZ 3.29Å; D18-K72 WeakPolarHBondContact OD1-CE 3.38Å; D18-K72 IonicContact OD1-NZ 2.56Å; D18-K72 PolarHBondContact OD1-NZ 3.01Å; D18-K72 WeakPolarHBondContact OD2-CE 3.44Å; D18-K72 IonicContact OD2-NZ 3.55Å; D18-K72 PolarHBondContact OD2-NZ 3.45Å; V19-K72 WeakPolarHBondContact O-CA 3.48Å; F20-K72 HydrophobicContact CD1-CB 4.02Å; F20-K72 HydrophobicContact CD1-CG 4.18Å; F20-K72 HydrophobicContact CE1-CB 3.89Å; F20-K72 HydrophobicContact CE1-CD 3.77Å; F20-K72 HydrophobicContact CE1-CG 3.75Å; F20-K72 HydrophobicContact CZ-CD 3.9Å; F20-K72 HydrophobicContact CZ-CG 4.07Å; P70-K72 PolarHBondContact O-N 2.92Å; K72-S74 WeakPolarHBondContact CE-OG 3.39Å
73	F	95.1	Very high	94.6	Very high	35 Å²	35	66.5 Å²	66.5	15%	0.154	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.2	171.4	-60.5	-65.2	0	0	0	110	D18 V19 C21 W59 E60 L71	D18-F73 WeakPolarHBondContact CA-O 3.39Å; V19-F73 PolarHBondContact N-O 2.04Å; V19-F73 PolarHBondContact O-N 3.37Å; C21-F73 VanDerWaalsContact SG-CE2 3.55Å; W59-F73 HydrophobicContact CB-CB 4.49Å; W59-F73 HydrophobicContact CB-CD1 4.06Å; W59-F73 HydrophobicContact CB-CD2 3.51Å; W59-F73 HydrophobicContact CB-CE1 4.12Å; W59-F73 HydrophobicContact CB-CE2 3.56Å; W59-F73 HydrophobicContact CB-CG 3.76Å; W59-F73 HydrophobicContact CB-CZ 3.88Å; W59-F73 AromaticContact CD1-CD1 3.16Å; W59-F73 AromaticContact CD1-CE1 3.68Å; W59-F73 AromaticContact CD1-CG 3.4Å; W59-F73 VanDerWaalsContact CD1-CG 3.4Å; W59-F73 HydrophobicContact CD2-CB 3.59Å; W59-F73 HydrophobicContact CD2-CD1 4.37Å; W59-F73 HydrophobicContact CD2-CD2 4.24Å; W59-F73 AromaticContact CD2-CG 3.82Å; W59-F73 HydrophobicContact CD2-CG 3.82Å; W59-F73 HydrophobicContact CE3-CB 4.16Å; W59-F73 HydrophobicContact CG-CB 3.72Å; W59-F73 AromaticContact CG-CD1 3.62Å; W59-F73 HydrophobicContact CG-CD1 3.62Å; W59-F73 AromaticContact CG-CD2 3.67Å; W59-F73 HydrophobicContact CG-CD2 3.67Å; W59-F73 HydrophobicContact CG-CE1 4.1Å; W59-F73 HydrophobicContact CG-CE2 4.13Å; W59-F73 AromaticContact CG-CG 3.37Å; W59-F73 HydrophobicContact CG-CG 3.37Å; W59-F73 HydrophobicContact CG-CZ 4.33Å; W59-F73 HydrophobicContact CZ2-CB 4.29Å; W59-F73 AromaticContact NE1-CD1 3.72Å; W59-F73 AromaticContact NE1-CG 3.86Å; E60-F73 WeakPolarHBondContact O-CZ 3.35Å; L71-F73 HydrophobicContact CB-CE2 4.42Å; L71-F73 HydrophobicContact CD1-CZ 4.47Å
74	S	95.1	Very high	93.9	Very high	56 Å²	56	64.2 Å²	64.2	39%	0.392	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	-179.1	-60.8	0	0	0	0	110.3	L17 D18 K72	L17-S74 CarbonylContact O-C 3.54Å; L17-S74 WeakPolarHBondContact O-CA 3.4Å; D18-S74 WeakPolarHBondContact OD1-CB 3.29Å; D18-S74 PolarHBondContact OD1-OG 3.31Å; K72-S74 WeakPolarHBondContact CE-OG 3.39Å
75	E	95.3	Very high	93	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.028	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	168	-169.5	68.1	-94.6	0	0	109.2	Y16 L17 R58 W59 F77 F89 Y97	Y16-E75 CarbonylContact C-O 3.6Å; Y16-E75 VanDerWaalsContact CA-O 3.25Å; Y16-E75 WeakPolarHBondContact CA-O 3.29Å; L17-E75 HydrophobicContact CB-CB 4.24Å; L17-E75 PolarHBondContact N-O 3.46Å; L17-E75 PolarHBondContact O-N 3.32Å; R58-E75 IonicContact CZ-OE1 3.92Å; R58-E75 IonicContact CZ-OE2 2.75Å; R58-E75 VanDerWaalsContact CZ-OE2 3.28Å; R58-E75 IonicContact NE-OE1 2.74Å; R58-E75 IonicContact NE-OE2 2.8Å; R58-E75 PolarHBondContact NE-OE2 3.36Å; R58-E75 IonicContact NH2-OE1 3.78Å; R58-E75 PolarHBondContact NH2-OE1 3.23Å; R58-E75 IonicContact NH2-OE2 3.28Å; R58-E75 PolarHBondContact NH2-OE2 3.43Å; W59-E75 HydrophobicContact CH2-CB 3.91Å; W59-E75 HydrophobicContact CH2-CG 4.45Å; W59-E75 WeakPolarHBondContact CH2-OE2 3.23Å; W59-E75 HydrophobicContact CZ2-CB 4.38Å; E75-F77 HydrophobicContact CG-CE1 4.47Å; E75-F77 HydrophobicContact CG-CZ 4.41Å; E75-F89 HydrophobicContact CG-CE2 4.01Å; E75-F89 HydrophobicContact CG-CZ 3.73Å; E75-Y97 PolarHBondContact OE2-OH 3.04Å
76	K	95.9	Very high	92.3	Very high	68 Å²	68	68.5 Å²	68.5	30%	0.296	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	171.1	-173.1	-177.9	-176.3	172.6	0	109.4	Y16 Q78 F89	Y16-K76 HydrophobicContact CD1-CB 4.05Å; Y16-K76 HydrophobicContact CD1-CG 4.29Å; Y16-K76 HydrophobicContact CE1-CB 3.79Å; Y16-K76 HydrophobicContact CE1-CD 3.96Å; Y16-K76 HydrophobicContact CE1-CG 3.82Å; Y16-K76 HydrophobicContact CE2-CD 4.49Å; Y16-K76 HydrophobicContact CE2-CG 4.34Å; Y16-K76 WeakPolarHBondContact OH-CD 3.01Å; Y16-K76 WeakPolarHBondContact OH-CE 3.37Å; Y16-K76 PolarHBondContact OH-NZ 3.13Å; K76-Q78 HydrophobicContact CD-CB 4.34Å; K76-Q78 HydrophobicContact CG-CB 4.31Å; K76-Q78 PolarHBondContact O-N 3.04Å; K76-F89 WeakPolarHBondContact O-CE2 3.47Å
77	F	96.6	Very high	92	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.39	C	S	.	.			trans	-78.8	67.3	177.9	-63.9	-78.7	0	0	0	111.7	V11 I13 N14 D15 L17 E75 F89 V115 V117	V11-F77 HydrophobicContact CB-CD2 4.08Å; V11-F77 HydrophobicContact CB-CE2 4.18Å; V11-F77 HydrophobicContact CG1-CD2 4.36Å; V11-F77 HydrophobicContact CG1-CE2 3.99Å; V11-F77 HydrophobicContact CG2-CD1 3.97Å; V11-F77 HydrophobicContact CG2-CD2 3.72Å; V11-F77 HydrophobicContact CG2-CE1 4.12Å; V11-F77 HydrophobicContact CG2-CE2 3.87Å; V11-F77 HydrophobicContact CG2-CG 3.79Å; V11-F77 HydrophobicContact CG2-CZ 4.09Å; I13-F77 CarbonylContact C-O 3.57Å; I13-F77 VanDerWaalsContact CA-O 3.27Å; I13-F77 WeakPolarHBondContact CA-O 3.34Å; I13-F77 WeakPolarHBondContact CD1-O 3.29Å; N14-F77 PolarHBondContact N-O 2.77Å; D15-F77 HydrophobicContact CB-CD2 4.44Å; D15-F77 WeakPolarHBondContact O-CD2 3.48Å; D15-F77 PolarHBondContact O-N 2.03Å; L17-F77 HydrophobicContact CB-CE2 3.55Å; L17-F77 HydrophobicContact CB-CZ 3.79Å; L17-F77 HydrophobicContact CD2-CZ 4.19Å; E75-F77 HydrophobicContact CG-CE1 4.47Å; E75-F77 HydrophobicContact CG-CZ 4.41Å; F77-F89 HydrophobicContact CB-CB 4.36Å; F77-F89 HydrophobicContact CB-CD2 4.44Å; F77-F89 HydrophobicContact CB-CG 4.34Å; F77-F89 HydrophobicContact CD1-CB 4.32Å; F77-F89 AromaticContact CD1-CD1 3.5Å; F77-F89 HydrophobicContact CD1-CD1 3.5Å; F77-F89 HydrophobicContact CD1-CD2 4.1Å; F77-F89 AromaticContact CD1-CE1 3.71Å; F77-F89 HydrophobicContact CD1-CE1 3.71Å; F77-F89 HydrophobicContact CD1-CE2 4.27Å; F77-F89 AromaticContact CD1-CG 3.7Å; F77-F89 HydrophobicContact CD1-CG 3.7Å; F77-F89 HydrophobicContact CD1-CZ 4.09Å; F77-F89 AromaticContact CE1-CD1 3.95Å; F77-F89 HydrophobicContact CE1-CD1 3.95Å; F77-F89 AromaticContact CE1-CE1 3.73Å; F77-F89 HydrophobicContact CE1-CE1 3.73Å; F77-F89 HydrophobicContact CE1-CZ 4.14Å; F77-F89 HydrophobicContact CG-CG 4.48Å; F77-V115 HydrophobicContact CD1-CG1 4.48Å; F77-V115 HydrophobicContact CE1-CB 4.43Å; F77-V115 HydrophobicContact CE1-CG1 3.61Å; F77-V115 HydrophobicContact CE2-CG1 4.49Å; F77-V115 HydrophobicContact CZ-CG1 3.63Å; F77-V115 HydrophobicContact CZ-CG2 4.44Å; F77-V117 HydrophobicContact CD1-CG2 3.94Å
78	Q	95.8	Very high	92.1	Very high	47 Å²	47	68 Å²	68	22%	0.22	37%	0.37	C	S	.	.			trans	-95	148.6	-176.9	63	-171	-10	0	0	112.8	K76 F80 F89	K76-Q78 HydrophobicContact CD-CB 4.34Å; K76-Q78 HydrophobicContact CG-CB 4.31Å; K76-Q78 PolarHBondContact O-N 3.04Å; Q78-F80 VanDerWaalsContact C-N 3.34Å; Q78-F80 VanDerWaalsContact CD-O 3.31Å; Q78-F80 WeakPolarHBondContact CG-O 3.32Å; Q78-F80 PolarHBondContact OE1-O 2.85Å; Q78-F89 PolarHBondContact O-N 3.39Å
79	L	95.6	Very high	92.2	Very high	61 Å²	61	60.6 Å²	60.6	32%	0.319	33%	0.331	S	S	.	.	S	Bend	trans	-71	-29.9	178.6	-71	169.7	0	0	0	113.4	I13 F89 P91	I13-L79 HydrophobicContact CD1-CD2 3.92Å; I13-L79 HydrophobicContact CD1-CG 4.24Å; I13-L79 HydrophobicContact CG1-CD2 4.25Å; I13-L79 HydrophobicContact CG1-CG 4.45Å; I13-L79 HydrophobicContact CG2-CD1 4.31Å; I13-L79 HydrophobicContact CG2-CG 3.93Å; L79-F89 WeakPolarHBondContact CD2-O 3.38Å; L79-P91 HydrophobicContact CD2-CG 4.35Å
80	F	93.6	Very high	92.3	Very high	139 Å²	139	63.8 Å²	63.8	61%	0.61	34%	0.337	S	S	*	.			trans	-141.6	140.5	-174.9	-57.6	-71.8	0	0	0	108.5	Q78	Q78-F80 VanDerWaalsContact C-N 3.34Å; Q78-F80 VanDerWaalsContact CD-O 3.31Å; Q78-F80 WeakPolarHBondContact CG-O 3.32Å; Q78-F80 PolarHBondContact OE1-O 2.85Å
81	T	91.4	Very high	92.3	Very high	30 Å²	30	63.4 Å²	63.4	18%	0.184	34%	0.335	C	S	.	.			trans	-122.2	130.8	176.8	171.6	0	0	0	0	108.9	F83 E88	T81-F83 WeakPolarHBondContact CG2-O 3.46Å; T81-F83 PolarHBondContact O-N 2.97Å; T81-F83 PolarHBondContact OG1-N 2.88Å; T81-F83 VanDerWaalsContact OG1-N 3.16Å; T81-F83 PolarHBondContact OG1-O 3.14Å; T81-E88 HydrophobicContact CG2-CG 3.78Å
82	P	89.5	Confident	92.4	Very high	137 Å²	137	63.9 Å²	63.9	89%	0.89	35%	0.347	S	S	*	.	S	Bend	trans	-72.6	-12.5	173.1	31.4	-34.8	0	0	0	112.1
83	F	85.4	Confident	92.5	Very high	97 Å²	97	66.2 Å²	66.2	43%	0.425	35%	0.353	S	S	.	.	S	Bend	trans	-88.9	127.3	179	-175.6	-128.1	0	0	0	111.1	T81 L85 G86 P157	T81-F83 WeakPolarHBondContact CG2-O 3.46Å; T81-F83 PolarHBondContact O-N 2.97Å; T81-F83 PolarHBondContact OG1-N 2.88Å; T81-F83 VanDerWaalsContact OG1-N 3.16Å; T81-F83 PolarHBondContact OG1-O 3.14Å; F83-L85 HydrophobicContact CD1-CB 4.13Å; F83-L85 HydrophobicContact CE1-CB 3.54Å; F83-L85 HydrophobicContact CZ-CB 3.86Å; F83-L85 HydrophobicContact CZ-CD1 4.27Å; F83-L85 HydrophobicContact CZ-CG 4.39Å; F83-L85 PolarHBondContact O-N 3.42Å; F83-G86 VanDerWaalsContact CD1-N 3.26Å; F83-G86 PolarHBondContact O-N 3.46Å; F83-P157 HydrophobicContact CE1-CG 3.65Å; F83-P157 HydrophobicContact CZ-CG 3.69Å
84	S	81.4	Confident	92.6	Very high	115 Å²	115	68.6 Å²	68.6	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.6	-175.5	53.9	0	0	0	0	114.6
85	L	77.9	Confident	92.8	Very high	120 Å²	120	67.3 Å²	67.3	63%	0.628	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	11.2	174.3	-58.2	172.8	0	0	0	112.3	F83	F83-L85 HydrophobicContact CD1-CB 4.13Å; F83-L85 HydrophobicContact CE1-CB 3.54Å; F83-L85 HydrophobicContact CZ-CB 3.86Å; F83-L85 HydrophobicContact CZ-CD1 4.27Å; F83-L85 HydrophobicContact CZ-CG 4.39Å; F83-L85 PolarHBondContact O-N 3.42Å
86	G	81.6	Confident	92.9	Very high	23 Å²	23	67.8 Å²	67.8	24%	0.237	35%	0.354	C	S	.	.			trans	-74.1	162.4	175.4	0	0	0	0	0	111.4	F83	F83-G86 VanDerWaalsContact CD1-N 3.26Å; F83-G86 PolarHBondContact O-N 3.46Å
87	F	90.2	Very high	93	Very high	43 Å²	43	64.7 Å²	64.7	19%	0.189	34%	0.34	C	S	.	.			trans	-101.6	138.1	176.7	-68.2	-87.1	0	0	0	110.8	M40 F56 F89	M40-F87 HydrophobicContact CE-CD1 4.14Å; M40-F87 HydrophobicContact SD-CB 4.38Å; M40-F87 HydrophobicContact SD-CD1 3.43Å; M40-F87 WeakPolarHBondContact SD-CD1 3.11Å; M40-F87 HydrophobicContact SD-CD2 4.35Å; M40-F87 HydrophobicContact SD-CE1 3.71Å; M40-F87 HydrophobicContact SD-CG 3.78Å; M40-F87 HydrophobicContact SD-CZ 4.3Å; F56-F87 HydrophobicContact CB-CE1 4.38Å; F56-F87 HydrophobicContact CB-CZ 3.76Å; F56-F87 AromaticContact CD2-CE1 3.97Å; F56-F87 HydrophobicContact CD2-CE1 3.97Å; F56-F87 HydrophobicContact CD2-CZ 4.19Å; F56-F87 HydrophobicContact CG-CE1 4.31Å; F56-F87 HydrophobicContact CG-CZ 4.07Å; F87-F89 HydrophobicContact CB-CE2 3.95Å; F87-F89 HydrophobicContact CB-CZ 4.02Å
88	E	94.7	Very high	93	Very high	82 Å²	82	64.8 Å²	64.8	38%	0.383	34%	0.34	S	S	.	.			trans	-106	136.2	173.8	-64.1	-172.5	164.1	0	0	110.6	T81 R90	T81-E88 HydrophobicContact CG2-CG 3.78Å; E88-R90 IonicContact OE2-CZ 3.81Å; E88-R90 IonicContact OE2-NH2 2.79Å; E88-R90 PolarHBondContact OE2-NH2 2.98Å
89	F	96.9	Very high	92.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.			trans	-112.6	143.6	-178.3	-61	-88.2	0	0	0	110.6	I13 M40 E75 K76 F77 Q78 L79 F87 Y95 V117	I13-F89 HydrophobicContact CD1-CB 4.31Å; M40-F89 HydrophobicContact CE-CE1 3.86Å; M40-F89 HydrophobicContact CE-CZ 4.3Å; E75-F89 HydrophobicContact CG-CE2 4.01Å; E75-F89 HydrophobicContact CG-CZ 3.73Å; K76-F89 WeakPolarHBondContact O-CE2 3.47Å; F77-F89 HydrophobicContact CB-CB 4.36Å; F77-F89 HydrophobicContact CB-CD2 4.44Å; F77-F89 HydrophobicContact CB-CG 4.34Å; F77-F89 HydrophobicContact CD1-CB 4.32Å; F77-F89 AromaticContact CD1-CD1 3.5Å; F77-F89 HydrophobicContact CD1-CD1 3.5Å; F77-F89 HydrophobicContact CD1-CD2 4.1Å; F77-F89 AromaticContact CD1-CE1 3.71Å; F77-F89 HydrophobicContact CD1-CE1 3.71Å; F77-F89 HydrophobicContact CD1-CE2 4.27Å; F77-F89 AromaticContact CD1-CG 3.7Å; F77-F89 HydrophobicContact CD1-CG 3.7Å; F77-F89 HydrophobicContact CD1-CZ 4.09Å; F77-F89 AromaticContact CE1-CD1 3.95Å; F77-F89 HydrophobicContact CE1-CD1 3.95Å; F77-F89 AromaticContact CE1-CE1 3.73Å; F77-F89 HydrophobicContact CE1-CE1 3.73Å; F77-F89 HydrophobicContact CE1-CZ 4.14Å; F77-F89 HydrophobicContact CG-CG 4.48Å; Q78-F89 PolarHBondContact O-N 3.39Å; L79-F89 WeakPolarHBondContact CD2-O 3.38Å; F87-F89 HydrophobicContact CB-CE2 3.95Å; F87-F89 HydrophobicContact CB-CZ 4.02Å; F89-Y95 WeakPolarHBondContact CA-OH 3.41Å; F89-Y95 HydrophobicContact CB-CE2 4.28Å; F89-Y95 AromaticContact CD1-CD1 3.85Å; F89-Y95 HydrophobicContact CD1-CD1 3.85Å; F89-Y95 AromaticContact CD1-CD2 3.73Å; F89-Y95 HydrophobicContact CD1-CD2 3.73Å; F89-Y95 AromaticContact CD1-CE1 3.76Å; F89-Y95 HydrophobicContact CD1-CE1 3.76Å; F89-Y95 AromaticContact CD1-CE2 3.69Å; F89-Y95 HydrophobicContact CD1-CE2 3.69Å; F89-Y95 AromaticContact CD1-CG 3.8Å; F89-Y95 HydrophobicContact CD1-CG 3.8Å; F89-Y95 AromaticContact CD1-CZ 3.7Å; F89-Y95 AromaticContact CE1-CD1 3.94Å; F89-Y95 HydrophobicContact CE1-CD1 3.94Å; F89-Y95 HydrophobicContact CE1-CD2 4.3Å; F89-Y95 HydrophobicContact CE1-CE1 4.23Å; F89-Y95 AromaticContact CE1-CG 3.94Å; F89-Y95 HydrophobicContact CE1-CG 3.94Å; F89-Y95 HydrophobicContact CG-CE2 4.47Å; F89-V117 HydrophobicContact CB-CG2 4.36Å; F89-V117 HydrophobicContact CD1-CG2 4.48Å
90	R	97.6	Very high	92.8	Very high	85 Å²	85	61.4 Å²	61.4	32%	0.321	33%	0.327	S	S	.	.			trans	-122.1	136.4	-179	-57.8	-65.2	177.1	-169.2	-8.3	109.5	E88 R93 Y95	E88-R90 IonicContact OE2-CZ 3.81Å; E88-R90 IonicContact OE2-NH2 2.79Å; E88-R90 PolarHBondContact OE2-NH2 2.98Å; R90-R93 HydrophobicContact CB-CG 4Å; R90-R93 WeakPolarHBondContact O-CB 3.46Å; R90-R93 PolarHBondContact O-N 2.82Å; R90-Y95 PolarHBondContact N-OH 3.47Å
91	P	97.5	Very high	92.8	Very high	51 Å²	51	56.3 Å²	56.3	33%	0.331	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	145.6	173.7	-21.8	30.7	0	0	0	112.1	I13 L79 R93	I13-P91 HydrophobicContact CD1-CG 4.26Å; I13-P91 HydrophobicContact CG1-CG 3.79Å; L79-P91 HydrophobicContact CD2-CG 4.35Å; P91-R93 VanDerWaalsContact C-N 3.27Å; P91-R93 PolarHBondContact O-N 3.33Å
92	G	97.1	Very high	92.6	Very high	41 Å²	41	57.7 Å²	57.7	42%	0.423	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	14.3	-178.4	0	0	0	0	0	114.4	V117	G92-V117 VanDerWaalsContact CA-O 3.31Å; G92-V117 WeakPolarHBondContact CA-O 3.43Å; G92-V117 PolarHBondContact N-O 2.71Å
93	R	98.1	Very high	92.3	Very high	154 Å²	154	55.7 Å²	55.7	58%	0.581	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.4	178.9	-62.2	-158.8	-179.2	-150.7	-4.3	112.5	R90 P91 Y95 V117	R90-R93 HydrophobicContact CB-CG 4Å; R90-R93 WeakPolarHBondContact O-CB 3.46Å; R90-R93 PolarHBondContact O-N 2.82Å; P91-R93 VanDerWaalsContact C-N 3.27Å; P91-R93 PolarHBondContact O-N 3.33Å; R93-Y95 HydrophobicContact CB-CE2 3.7Å; R93-V117 PolarHBondContact O-N 2.78Å
94	E	98.1	Very high	92	Very high	86 Å²	86	56.9 Å²	56.9	40%	0.402	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.7	172.6	-63.2	-176.4	141.7	0	0	110.8	F96 K114 V115 F116	E94-F96 HydrophobicContact CB-CE1 4.28Å; E94-F96 HydrophobicContact CB-CE2 4.1Å; E94-F96 HydrophobicContact CB-CZ 3.63Å; E94-K114 WeakPolarHBondContact OE1-CD 3.22Å; E94-K114 WeakPolarHBondContact OE1-CE 3.4Å; E94-K114 IonicContact OE1-NZ 2.73Å; E94-K114 PolarHBondContact OE1-NZ 2.98Å; E94-V115 CarbonylContact C-O 3.56Å; E94-V115 WeakPolarHBondContact CA-O 3.49Å; E94-F116 HydrophobicContact CG-CB 4.4Å; E94-F116 HydrophobicContact CG-CD2 3.7Å; E94-F116 HydrophobicContact CG-CG 4.48Å
95	Y	98	Very high	91.7	Very high	29 Å²	29	55.3 Å²	55.3	11%	0.114	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.9	178.9	-63.5	-86.3	0	0	0	109	M40 F89 R90 R93 V115 V117	M40-Y95 HydrophobicContact CE-CD1 3.34Å; M40-Y95 HydrophobicContact CE-CE1 4.09Å; M40-Y95 HydrophobicContact CE-CG 4.14Å; F89-Y95 WeakPolarHBondContact CA-OH 3.41Å; F89-Y95 HydrophobicContact CB-CE2 4.28Å; F89-Y95 AromaticContact CD1-CD1 3.85Å; F89-Y95 HydrophobicContact CD1-CD1 3.85Å; F89-Y95 AromaticContact CD1-CD2 3.73Å; F89-Y95 HydrophobicContact CD1-CD2 3.73Å; F89-Y95 AromaticContact CD1-CE1 3.76Å; F89-Y95 HydrophobicContact CD1-CE1 3.76Å; F89-Y95 AromaticContact CD1-CE2 3.69Å; F89-Y95 HydrophobicContact CD1-CE2 3.69Å; F89-Y95 AromaticContact CD1-CG 3.8Å; F89-Y95 HydrophobicContact CD1-CG 3.8Å; F89-Y95 AromaticContact CD1-CZ 3.7Å; F89-Y95 AromaticContact CE1-CD1 3.94Å; F89-Y95 HydrophobicContact CE1-CD1 3.94Å; F89-Y95 HydrophobicContact CE1-CD2 4.3Å; F89-Y95 HydrophobicContact CE1-CE1 4.23Å; F89-Y95 AromaticContact CE1-CG 3.94Å; F89-Y95 HydrophobicContact CE1-CG 3.94Å; F89-Y95 HydrophobicContact CG-CE2 4.47Å; R90-Y95 PolarHBondContact N-OH 3.47Å; R93-Y95 HydrophobicContact CB-CE2 3.7Å; Y95-V115 PolarHBondContact N-O 2.84Å; Y95-V115 PolarHBondContact O-N 3.12Å; Y95-V117 HydrophobicContact CD2-CG2 3.72Å; Y95-V117 HydrophobicContact CE2-CB 4.4Å; Y95-V117 HydrophobicContact CE2-CG2 3.66Å
96	F	97.8	Very high	91.4	Very high	16 Å²	16	52.4 Å²	52.4	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.9	-168.3	-50.5	-85.1	0	0	0	111.5	M40 V41 F43 Y46 E94 K114	M40-F96 WeakPolarHBondContact CA-O 3.45Å; V41-F96 HydrophobicContact CG2-CB 4.07Å; V41-F96 PolarHBondContact N-O 2.85Å; F43-F96 HydrophobicContact CB-CD2 4.45Å; F43-F96 HydrophobicContact CB-CE2 3.93Å; F43-F96 HydrophobicContact CB-CZ 4.18Å; F43-F96 AromaticContact CD2-CE1 3.96Å; F43-F96 HydrophobicContact CD2-CE1 3.96Å; F43-F96 HydrophobicContact CD2-CE2 4.35Å; F43-F96 AromaticContact CD2-CZ 3.75Å; F43-F96 HydrophobicContact CD2-CZ 3.75Å; F43-F96 HydrophobicContact CG-CZ 4.46Å; Y46-F96 AromaticContact CD1-CD1 3.91Å; Y46-F96 HydrophobicContact CD1-CD1 3.91Å; Y46-F96 HydrophobicContact CD1-CE1 4.39Å; Y46-F96 HydrophobicContact CD2-CB 3.75Å; Y46-F96 AromaticContact CD2-CD1 3.81Å; Y46-F96 HydrophobicContact CD2-CD1 3.81Å; Y46-F96 HydrophobicContact CD2-CG 4.2Å; Y46-F96 HydrophobicContact CE1-CD1 4.37Å; Y46-F96 HydrophobicContact CE2-CD1 4.23Å; Y46-F96 HydrophobicContact CG-CB 3.91Å; Y46-F96 AromaticContact CG-CD1 3.62Å; Y46-F96 HydrophobicContact CG-CD1 3.62Å; Y46-F96 HydrophobicContact CG-CG 4.02Å; E94-F96 HydrophobicContact CB-CE1 4.28Å; E94-F96 HydrophobicContact CB-CE2 4.1Å; E94-F96 HydrophobicContact CB-CZ 3.63Å; F96-K114 HydrophobicContact CD1-CB 4.21Å; F96-K114 HydrophobicContact CD1-CD 4.46Å; F96-K114 HydrophobicContact CD1-CG 3.92Å; F96-K114 HydrophobicContact CE1-CB 4.35Å; F96-K114 HydrophobicContact CE1-CD 3.77Å; F96-K114 HydrophobicContact CE1-CG 3.64Å
97	Y	97.6	Very high	90.9	Very high	3 Å²	3	60 Å²	60	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.3	176.1	-61.4	-95.6	0	0	0	110	L38 Y39 M40 W59 E75 K112 L113 V115	L38-Y97 HydrophobicContact CD2-CD1 3.95Å; L38-Y97 HydrophobicContact CG-CD1 4.49Å; Y39-Y97 CarbonylContact O-C 3.57Å; Y39-Y97 VanDerWaalsContact O-CA 3.26Å; Y39-Y97 WeakPolarHBondContact O-CA 3.45Å; M40-Y97 HydrophobicContact CB-CD1 4.16Å; M40-Y97 HydrophobicContact CB-CE1 3.99Å; M40-Y97 HydrophobicContact CG-CD1 4.46Å; M40-Y97 HydrophobicContact CG-CE1 4.09Å; M40-Y97 HydrophobicContact SD-CE1 4.39Å; W59-Y97 HydrophobicContact CH2-CE1 4.49Å; W59-Y97 HydrophobicContact CZ3-CE1 4.2Å; E75-Y97 PolarHBondContact OE2-OH 3.04Å; Y97-K112 CarbonylContact O-C 3.55Å; Y97-K112 VanDerWaalsContact O-CA 3.23Å; Y97-K112 WeakPolarHBondContact O-CA 3.26Å; Y97-L113 PolarHBondContact N-O 2.97Å; Y97-L113 PolarHBondContact O-N 3.1Å; Y97-V115 HydrophobicContact CD2-CG2 4.08Å; Y97-V115 HydrophobicContact CE2-CG2 3.91Å
98	I	96.5	Very high	90.1	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.5	172.4	65.2	172.8	0	0	0	110.6	Y39 V41 Y46 H51 L111 K112	Y39-I98 PolarHBondContact N-O 2.8Å; Y39-I98 PolarHBondContact O-N 2.75Å; V41-I98 HydrophobicContact CG1-CD1 3.85Å; V41-I98 HydrophobicContact CG1-CG1 3.85Å; V41-I98 HydrophobicContact CG2-CD1 4.3Å; V41-I98 HydrophobicContact CG2-CG1 4.08Å; V41-I98 HydrophobicContact CG2-CG2 3.94Å; Y46-I98 HydrophobicContact CD2-CG2 4.14Å; H51-I98 HydrophobicContact CB-CD1 4.11Å; I98-L111 CarbonylContact C-O 3.38Å; I98-L111 WeakPolarHBondContact CA-O 3.44Å; I98-K112 HydrophobicContact CG2-CB 3.81Å
99	S	95	Very high	89.7	Confident	13 Å²	13	70.2 Å²	70.2	9%	0.091	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.6	173.8	70.1	0	0	0	0	111.8	V37 C110 L111	V37-S99 CarbonylContact O-C 3.54Å; V37-S99 VanDerWaalsContact O-CA 3.31Å; V37-S99 WeakPolarHBondContact O-CA 3.42Å; S99-C110 WeakPolarHBondContact O-CB 3.46Å; S99-L111 PolarHBondContact N-O 3.34Å; S99-L111 VanDerWaalsContact OG-CB 3.32Å; S99-L111 WeakPolarHBondContact OG-CB 3.47Å; S99-L111 PolarHBondContact OG-N 2.92Å; S99-L111 PolarHBondContact OG-O 2.79Å
100	S	93.8	Very high	89.5	Confident	25 Å²	25	71.5 Å²	71.5	18%	0.175	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	165.2	-167.9	0	0	0	0	110.1	Y36 V37	Y36-S100 CarbonylContact C-O 3.59Å; Y36-S100 WeakPolarHBondContact CA-O 3.21Å; Y36-S100 WeakPolarHBondContact CB-O 3.25Å; V37-S100 PolarHBondContact N-O 2.87Å; V37-S100 PolarHBondContact O-N 3.4Å
101	A	92.8	Very high	89.3	Confident	31 Å²	31	70.9 Å²	70.9	26%	0.256	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	153	-177	0	0	0	0	0	112.6	R35 P103 D104	R35-A101 CarbonylContact O-C 3.58Å; R35-A101 WeakPolarHBondContact O-CA 3.48Å; A101-P103 CarbonylContact C-O 3.52Å; A101-P103 CarbonylContact O-C 3.55Å; A101-D104 PolarHBondContact O-N 3.01Å
102	I	86.9	Confident	89.3	Confident	59 Å²	59	70.4 Å²	70.4	30%	0.303	37%	0.369	S	S	.	.	S	Bend	trans	-121.5	121.2	172.2	-55.7	162.4	0	0	0	108.9	R35 V37	R35-I102 HydrophobicContact CB-CB 3.98Å; R35-I102 HydrophobicContact CB-CD1 4.47Å; R35-I102 PolarHBondContact O-N 3.43Å; V37-I102 HydrophobicContact CG2-CD1 3.66Å; V37-I102 HydrophobicContact CG2-CG1 4.03Å
103	P	82.4	Confident	89.3	Confident	96 Å²	96	69.1 Å²	69.1	62%	0.623	35%	0.353	S	S	*	.	S	Bend	cis	-65	157.9	-10.8	29.7	-34.5	0	0	0	111.4	A101 N105	A101-P103 CarbonylContact C-O 3.52Å; A101-P103 CarbonylContact O-C 3.55Å; P103-N105 PolarHBondContact O-N 3Å; P103-N105 VanDerWaalsContact O-N 3.14Å
104	D	79.9	Confident	89.3	Confident	122 Å²	122	64.5 Å²	64.5	65%	0.652	34%	0.337	S	S	*	.			trans	-60.2	121.4	174.7	-175.6	6.6	0	0	0	109.1	A101 G106	A101-D104 PolarHBondContact O-N 3.01Å; D104-G106 PolarHBondContact OD1-N 2.74Å
105	N	76.1	Confident	89.3	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	32%	0.318	S	S	.	.			trans	-99	7.6	-177.5	57.3	17.5	0	0	0	112.2	P103 R107	P103-N105 PolarHBondContact O-N 3Å; P103-N105 VanDerWaalsContact O-N 3.14Å; N105-R107 HydrophobicContact CB-CG 4.48Å; N105-R107 WeakPolarHBondContact ND2-CD 3.43Å; N105-R107 PolarHBondContact ND2-NE 3.18Å; N105-R107 PolarHBondContact O-N 3.37Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.27Å; N105-R107 WeakPolarHBondContact OD1-CG 3.48Å; N105-R107 PolarHBondContact OD1-N 3.44Å
106	G	70.5	Confident	89.4	Confident	60 Å²	60	61.7 Å²	61.7	62%	0.619	32%	0.324	S	S	*	.			trans	63.9	18.2	178.2	0	0	0	0	0	113.5	D104 R108	D104-G106 PolarHBondContact OD1-N 2.74Å; G106-R108 PolarHBondContact O-N 2.67Å
107	R	71.9	Confident	89.4	Confident	182 Å²	182	60.9 Å²	60.9	69%	0.687	32%	0.321	S	S	*	.			trans	-67.7	130.8	179.3	-76.9	-178.6	-178.4	-177.4	2.3	109.8	N105 S109	N105-R107 HydrophobicContact CB-CG 4.48Å; N105-R107 WeakPolarHBondContact ND2-CD 3.43Å; N105-R107 PolarHBondContact ND2-NE 3.18Å; N105-R107 PolarHBondContact O-N 3.37Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.27Å; N105-R107 WeakPolarHBondContact OD1-CG 3.48Å; N105-R107 PolarHBondContact OD1-N 3.44Å; R107-S109 PolarHBondContact O-N 2.94Å
108	R	73.6	Confident	89.4	Confident	248 Å²	248	64.9 Å²	64.9	94%	0.936	34%	0.336	S	S	*	.	S	Bend	trans	-71.4	-14.5	172.7	-65.5	-175.1	-179.6	-178.3	-0.1	113.2	G106	G106-R108 PolarHBondContact O-N 2.67Å
109	S	85.6	Confident	89.4	Confident	92 Å²	92	67 Å²	67	64%	0.643	35%	0.35	S	S	*	.			trans	-111.5	136.5	178.1	56.3	0	0	0	0	110.9	R107	R107-S109 PolarHBondContact O-N 2.94Å
110	C	92.1	Very high	89.1	Confident	27 Å²	27	69.7 Å²	69.7	18%	0.182	37%	0.372	C	S	.	.			trans	-119.3	155.8	177.5	66	0	0	0	0	110.8	C49 S99	C49-C110 HydrophobicContact CB-CB 3.65Å; C49-C110 WeakPolarHBondContact CB-SG 3.36Å; C49-C110 WeakPolarHBondContact SG-CB 3.23Å; C49-C110 PolarHBondContact SG-N 3.34Å; C49-C110 CovalentContact SG-SG 2.04Å; C49-C110 PolarHBondContact SG-SG 3.15Å; S99-C110 WeakPolarHBondContact O-CB 3.46Å
111	L	94.7	Very high	88.8	Confident	71 Å²	71	74.7 Å²	74.7	37%	0.372	40%	0.397	S	S	.	.			trans	-70.1	136.6	163.1	-51.7	172.5	0	0	0	107.7	F2 I98 S99	F2-L111 HydrophobicContact CB-CD2 3.8Å; F2-L111 HydrophobicContact CD1-CB 4.2Å; F2-L111 HydrophobicContact CG-CD2 4.38Å; I98-L111 CarbonylContact C-O 3.38Å; I98-L111 WeakPolarHBondContact CA-O 3.44Å; S99-L111 PolarHBondContact N-O 3.34Å; S99-L111 VanDerWaalsContact OG-CB 3.32Å; S99-L111 WeakPolarHBondContact OG-CB 3.47Å; S99-L111 PolarHBondContact OG-N 2.92Å; S99-L111 PolarHBondContact OG-O 2.79Å
112	K	95.9	Very high	88.6	Confident	41 Å²	41	75.6 Å²	75.6	18%	0.178	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.5	-175.5	65.4	-173	-177.3	179.2	0	112	F2 G5 Y46 Y97 I98	F2-K112 WeakPolarHBondContact CD1-O 3.45Å; F2-K112 WeakPolarHBondContact CE1-O 3.45Å; G5-K112 WeakPolarHBondContact O-CE 3.05Å; Y46-K112 HydrophobicContact CD2-CB 3.88Å; Y46-K112 HydrophobicContact CD2-CD 4.07Å; Y46-K112 HydrophobicContact CD2-CG 4.28Å; Y46-K112 HydrophobicContact CE1-CD 4.14Å; Y46-K112 HydrophobicContact CE2-CB 3.49Å; Y46-K112 VanDerWaalsContact CE2-CB 3.49Å; Y46-K112 HydrophobicContact CE2-CD 3.67Å; Y46-K112 HydrophobicContact CE2-CG 3.57Å; Y46-K112 HydrophobicContact CG-CD 4.5Å; Y46-K112 WeakPolarHBondContact O-CD 3.31Å; Y46-K112 PolarHBondContact O-NZ 3.49Å; Y97-K112 CarbonylContact O-C 3.55Å; Y97-K112 VanDerWaalsContact O-CA 3.23Å; Y97-K112 WeakPolarHBondContact O-CA 3.26Å; I98-K112 HydrophobicContact CG2-CB 3.81Å
113	L	98.1	Very high	88.5	Confident	15 Å²	15	74.4 Å²	74.4	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.2	-178	172.9	66.2	0	0	0	109.1	F2 Y7 I9 L17 Y97 V115	F2-L113 HydrophobicContact CE1-CB 4.28Å; Y7-L113 HydrophobicContact CD1-CD1 3.83Å; Y7-L113 HydrophobicContact CE1-CD1 4.11Å; Y7-L113 HydrophobicContact CG-CD1 4.18Å; I9-L113 HydrophobicContact CG1-CD1 4.32Å; I9-L113 HydrophobicContact CG2-CD1 4.45Å; L17-L113 HydrophobicContact CD1-CD2 4.43Å; L17-L113 HydrophobicContact CD2-CD2 3.87Å; Y97-L113 PolarHBondContact N-O 2.97Å; Y97-L113 PolarHBondContact O-N 3.1Å; L113-V115 HydrophobicContact CD2-CG2 3.96Å; L113-V115 HydrophobicContact CG-CG2 3.97Å
114	K	98.4	Very high	88.2	Confident	57 Å²	57	77.2 Å²	77.2	25%	0.248	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.2	166.4	-176.8	179.1	80	155.1	0	109.9	Y7 H8 I9 Y46 E94 F96	Y7-K114 PolarHBondContact O-N 3.41Å; H8-K114 CarbonylContact C-O 3.45Å; H8-K114 WeakPolarHBondContact CA-O 3.34Å; H8-K114 HydrophobicContact CB-CB 3.94Å; H8-K114 WeakPolarHBondContact CB-O 3.32Å; I9-K114 PolarHBondContact N-O 3.36Å; Y46-K114 HydrophobicContact CE2-CB 4.5Å; E94-K114 WeakPolarHBondContact OE1-CD 3.22Å; E94-K114 WeakPolarHBondContact OE1-CE 3.4Å; E94-K114 IonicContact OE1-NZ 2.73Å; E94-K114 PolarHBondContact OE1-NZ 2.98Å; F96-K114 HydrophobicContact CD1-CB 4.21Å; F96-K114 HydrophobicContact CD1-CD 4.46Å; F96-K114 HydrophobicContact CD1-CG 3.92Å; F96-K114 HydrophobicContact CE1-CB 4.35Å; F96-K114 HydrophobicContact CE1-CD 3.77Å; F96-K114 HydrophobicContact CE1-CG 3.64Å
115	V	98.5	Very high	87.4	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120	174.7	-177.3	0	0	0	0	108.6	I9 V11 L17 F77 E94 Y95 Y97 L113	I9-V115 HydrophobicContact CD1-CG1 4.43Å; I9-V115 HydrophobicContact CD1-CG2 4.06Å; I9-V115 HydrophobicContact CG1-CB 4.33Å; I9-V115 HydrophobicContact CG1-CG1 4.12Å; I9-V115 HydrophobicContact CG1-CG2 3.91Å; I9-V115 WeakPolarHBondContact O-CA 3.36Å; V11-V115 HydrophobicContact CB-CG1 4.48Å; V11-V115 HydrophobicContact CG1-CG1 4.16Å; V11-V115 HydrophobicContact CG2-CG1 3.51Å; L17-V115 HydrophobicContact CD2-CG2 4.3Å; F77-V115 HydrophobicContact CD1-CG1 4.48Å; F77-V115 HydrophobicContact CE1-CB 4.43Å; F77-V115 HydrophobicContact CE1-CG1 3.61Å; F77-V115 HydrophobicContact CE2-CG1 4.49Å; F77-V115 HydrophobicContact CZ-CG1 3.63Å; F77-V115 HydrophobicContact CZ-CG2 4.44Å; E94-V115 CarbonylContact C-O 3.56Å; E94-V115 WeakPolarHBondContact CA-O 3.49Å; Y95-V115 PolarHBondContact N-O 2.84Å; Y95-V115 PolarHBondContact O-N 3.12Å; Y97-V115 HydrophobicContact CD2-CG2 4.08Å; Y97-V115 HydrophobicContact CE2-CG2 3.91Å; L113-V115 HydrophobicContact CD2-CG2 3.96Å; L113-V115 HydrophobicContact CG-CG2 3.97Å
116	F	98.4	Very high	86.1	Confident	55 Å²	55	83 Å²	83	24%	0.241	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.5	171.6	178.2	-120.6	0	0	0	109.6	I9 D10 V11 E94 R118	I9-F116 PolarHBondContact O-N 2.93Å; D10-F116 WeakPolarHBondContact CA-O 3.5Å; D10-F116 WeakPolarHBondContact OD1-CB 3.1Å; V11-F116 PolarHBondContact N-O 3.4Å; E94-F116 HydrophobicContact CG-CB 4.4Å; E94-F116 HydrophobicContact CG-CD2 3.7Å; E94-F116 HydrophobicContact CG-CG 4.48Å; F116-R118 HydrophobicContact CD1-CG 4.2Å; F116-R118 HydrophobicContact CE1-CG 4.29Å; F116-R118 PolarHBondContact O-N 2.92Å
117	V	98.1	Very high	85.3	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.1	173.1	-176.4	0	0	0	0	107	V11 I13 F77 F89 G92 R93 Y95	V11-V117 HydrophobicContact CG2-CB 4.46Å; V11-V117 HydrophobicContact CG2-CG2 3.93Å; V11-V117 CarbonylContact O-C 3.52Å; V11-V117 WeakPolarHBondContact O-CA 3.46Å; I13-V117 HydrophobicContact CD1-CG1 3.64Å; I13-V117 HydrophobicContact CG1-CG1 4.01Å; F77-V117 HydrophobicContact CD1-CG2 3.94Å; F89-V117 HydrophobicContact CB-CG2 4.36Å; F89-V117 HydrophobicContact CD1-CG2 4.48Å; G92-V117 VanDerWaalsContact CA-O 3.31Å; G92-V117 WeakPolarHBondContact CA-O 3.43Å; G92-V117 PolarHBondContact N-O 2.71Å; R93-V117 PolarHBondContact O-N 2.78Å; Y95-V117 HydrophobicContact CD2-CG2 3.72Å; Y95-V117 HydrophobicContact CE2-CB 4.4Å; Y95-V117 HydrophobicContact CE2-CG2 3.66Å
118	R	97.8	Very high	83.8	Confident	86 Å²	86	81.9 Å²	81.9	33%	0.325	44%	0.437	S	S	.	.			trans	-59.4	144.5	-176.6	-71	-164.4	-64.3	160.4	-1.4	111.6	D10 V11 C12 F116 S122	D10-R118 HydrophobicContact CB-CG 3.91Å; V11-R118 WeakPolarHBondContact O-CB 3.42Å; V11-R118 PolarHBondContact O-N 2.9Å; C12-R118 PolarHBondContact SG-NH2 2.91Å; F116-R118 HydrophobicContact CD1-CG 4.2Å; F116-R118 HydrophobicContact CE1-CG 4.29Å; F116-R118 PolarHBondContact O-N 2.92Å; R118-S122 WeakPolarHBondContact CB-OG 3.43Å; R118-S122 PolarHBondContact NH1-O 2.8Å
119	P	95.8	Very high	82.7	Confident	46 Å²	46	76.6 Å²	76.6	30%	0.299	43%	0.432	S	S	.	.			trans	-54.6	147	171	-27.9	36.8	0	0	0	112.2	N121 S122 C123	P119-N121 VanDerWaalsContact C-N 3.27Å; P119-N121 VanDerWaalsContact CB-OD1 3.26Å; P119-N121 WeakPolarHBondContact CB-OD1 3.39Å; P119-N121 PolarHBondContact O-N 2.78Å; P119-N121 VanDerWaalsContact O-N 3.15Å; P119-S122 WeakPolarHBondContact CD-OG 3.32Å; P119-S122 PolarHBondContact O-N 2.85Å; P119-S122 PolarHBondContact O-OG 2.93Å; P119-C123 PolarHBondContact O-N 3.26Å
120	A	89.4	Confident	81.1	Confident	69 Å²	69	80 Å²	80	57%	0.57	44%	0.438	S	S	*	.	H	α-helix	trans	-56.2	-38	-172.2	0	0	0	0	0	113.8	S122 C123	A120-S122 VanDerWaalsContact C-N 3.27Å; A120-S122 PolarHBondContact O-N 2.8Å; A120-C123 PolarHBondContact O-N 2.89Å
121	N	88.6	Confident	78.7	Confident	130 Å²	130	85.1 Å²	85.1	70%	0.695	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-30.7	177.3	62.8	-18.2	0	0	0	113.4	P119 C123	P119-N121 VanDerWaalsContact C-N 3.27Å; P119-N121 VanDerWaalsContact CB-OD1 3.26Å; P119-N121 WeakPolarHBondContact CB-OD1 3.39Å; P119-N121 PolarHBondContact O-N 2.78Å; P119-N121 VanDerWaalsContact O-N 3.15Å; N121-C123 VanDerWaalsContact C-N 3.32Å
122	S	87.3	Confident	76.4	Confident	51 Å²	51	91 Å²	91	36%	0.357	48%	0.48	S	S	.	.	H	α-helix	trans	-85.2	-6.1	179	64.7	0	0	0	0	114	R118 P119 A120	R118-S122 WeakPolarHBondContact CB-OG 3.43Å; R118-S122 PolarHBondContact NH1-O 2.8Å; P119-S122 WeakPolarHBondContact CD-OG 3.32Å; P119-S122 PolarHBondContact O-N 2.85Å; P119-S122 PolarHBondContact O-OG 2.93Å; A120-S122 VanDerWaalsContact C-N 3.27Å; A120-S122 PolarHBondContact O-N 2.8Å
123	C	85.6	Confident	74	Confident	34 Å²	34	95 Å²	95	23%	0.23	51%	0.508	C	S	.	.	H	α-helix	trans	-98.3	-10.8	177.3	-76.4	0	0	0	0	113.8	C12 P119 A120 N121 K125	C12-C123 WeakPolarHBondContact CA-SG 3.45Å; C12-C123 HydrophobicContact CB-CB 3.77Å; C12-C123 WeakPolarHBondContact CB-SG 3.06Å; C12-C123 WeakPolarHBondContact SG-CA 3.07Å; C12-C123 WeakPolarHBondContact SG-CB 3.36Å; C12-C123 CovalentContact SG-SG 2.03Å; C12-C123 PolarHBondContact SG-SG 3.31Å; P119-C123 PolarHBondContact O-N 3.26Å; A120-C123 PolarHBondContact O-N 2.89Å; N121-C123 VanDerWaalsContact C-N 3.32Å; C123-K125 PolarHBondContact O-N 3.43Å
124	M	75.7	Confident	71.3	Confident	154 Å²	154	104.5 Å²	104.5	76%	0.759	55%	0.549	S	S	*	.			trans	-65.3	110.4	171.5	-65	-167.7	91.6	0	0	107.9	T126	M124-T126 PolarHBondContact O-N 3.13Å
125	K	62.9	Low	68.5	Low	194 Å²	194	108.5 Å²	108.5	84%	0.843	57%	0.573	S	S	*	*			trans	-55.4	112	159.9	-78.8	177.4	178.7	173.5	0	105.3	C123 I127	C123-K125 PolarHBondContact O-N 3.43Å; K125-I127 PolarHBondContact O-N 3.16Å
126	T	48.8	Very low	65.7	Low	131 Å²	131	113.8 Å²	113.8	80%	0.804	61%	0.605	S	S	*	*			trans	-53	113.7	159.6	36.7	0	0	0	0	105	M124 G128	M124-T126 PolarHBondContact O-N 3.13Å; T126-G128 PolarHBondContact O-N 3.34Å
127	I	53.1	Low	63	Low	162 Å²	162	117.8 Å²	117.8	83%	0.831	63%	0.629	S	S	*	*			trans	-65.1	88.7	163.4	-61.9	-175.1	0	0	0	103.6	K125 V129	K125-I127 PolarHBondContact O-N 3.16Å; I127-V129 PolarHBondContact O-N 3.44Å; I127-V129 VanDerWaalsContact O-N 3.11Å
128	G	41.9	Very low	60.2	Low	57 Å²	57	125.1 Å²	125.1	59%	0.588	67%	0.668	S	S	*	*			trans	-62.8	112.1	175.3	0	0	0	0	0	106.7	T126 H130	T126-G128 PolarHBondContact O-N 3.34Å; G128-H130 PolarHBondContact O-N 2.92Å
129	V	49.5	Very low	57.3	Low	137 Å²	137	128.9 Å²	128.9	83%	0.83	69%	0.687	S	S	*	*	S	Bend	trans	-62.7	74.1	166.1	179.1	0	0	0	0	107.6	I127	I127-V129 PolarHBondContact O-N 3.44Å; I127-V129 VanDerWaalsContact O-N 3.11Å
130	H	51.7	Low	55	Low	164 Å²	164	133.1 Å²	133.1	76%	0.759	71%	0.712	S	S	*	*			trans	177.4	78.5	162.6	-117.5	-83	0	0	0	110.9	G128	G128-H130 PolarHBondContact O-N 2.92Å
131	D	42.3	Very low	52.5	Low	134 Å²	134	137.5 Å²	137.5	72%	0.717	72%	0.72	S	S	*	*			trans	-159.7	93.5	133.3	-124.4	-12.6	0	0	0	111.6
132	R	46.5	Very low	50.3	Low	194 Å²	194	137.9 Å²	137.9	73%	0.732	72%	0.722	S	S	*	*			trans	41.1	111.5	140	-61.4	-178.9	177.7	137.1	-4.3	118.3
133	V	46.4	Very low	47.9	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	74%	0.738	S	S	*	*				58	97.5	95.3	-178.5	0	0	0	0	112.5
134	F	40.4	Very low	46.1	Very low	213 Å²	213	146 Å²	146	93%	0.934	77%	0.767	S	S	*	*			trans	-129.8	128.5	135	-88	-82.6	0	0	0	108
135	D	40.2	Very low	44.4	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	77%	0.771	S	S	*	*			trans	-90.1	158.1	-175.7	-164.2	7.9	0	0	0	110.5
136	V	39.1	Very low	43.3	Very low	110 Å²	110	143.8 Å²	143.8	67%	0.667	77%	0.767	S	S	*	*			trans	65.6	100.2	160.5	-161	0	0	0	0	119.3
137	N	41.5	Very low	43	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	76%	0.764	S	S	*	*				63.2	101.1	127.4	-153.8	55.3	0	0	0	118.5
138	D	40.5	Very low	42.1	Very low	154 Å²	154	140.7 Å²	140.7	82%	0.824	76%	0.76	S	S	*	*			trans	-155.1	115	137.7	-102.7	-40.2	0	0	0	112.4
139	K	36.4	Very low	42	Very low	165 Å²	165	145 Å²	145	72%	0.717	77%	0.77	S	S	*	*			trans	27.5	118.2	136.1	-141.5	175.2	179.2	-170.4	0	118.2	E141	K139-E141 PolarHBondContact O-N 2.93Å
140	V	48.2	Very low	41.7	Very low	136 Å²	136	144.1 Å²	144.1	82%	0.824	77%	0.765	S	S	*	*			trans	-48.7	116.9	157.7	175.3	0	0	0	0	109.8
141	E	36.4	Very low	41.3	Very low	160 Å²	160	142.5 Å²	142.5	75%	0.748	77%	0.766	S	S	*	*			trans	-132.8	103.1	152.9	-115.2	165.6	-157	0	0	108.9	K139 S143	K139-E141 PolarHBondContact O-N 2.93Å; E141-S143 PolarHBondContact O-N 3.19Å
142	N	42.7	Very low	41.4	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	77%	0.769	S	S	*	*			trans	-65.9	109.7	165.2	-167.8	36.9	0	0	0	107.1
143	S	35.3	Very low	41	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	77%	0.773	S	S	*	*			trans	-138.9	96.6	167.2	-72.2	0	0	0	0	107.8	E141 E145	E141-S143 PolarHBondContact O-N 3.19Å; S143-E145 PolarHBondContact O-N 3.04Å
144	L	49.1	Very low	41	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	77%	0.772	S	S	*	*			trans	-58.9	117.4	163	-74.6	141.1	0	0	0	107.9
145	E	40.1	Very low	41.1	Very low	180 Å²	180	135.8 Å²	135.8	84%	0.841	76%	0.758	S	S	*	*			trans	-119.2	139.9	156.6	-72.1	-113.3	132.8	0	0	108.4	S143	S143-E145 PolarHBondContact O-N 3.04Å
146	P	38.4	Very low	41.1	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	76%	0.763	S	S	*	*			trans	-79.9	134.5	-165.1	2	17.1	0	0	0	110.1	D148	P146-D148 PolarHBondContact O-N 2.93Å
147	A	43.2	Very low	41.2	Very low	88 Å²	88	135.8 Å²	135.8	73%	0.727	75%	0.752	S	S	*	*			trans	-66.7	122.3	165.7	0	0	0	0	0	108.6	D149	A147-D149 PolarHBondContact O-N 2.91Å
148	D	34	Very low	41.2	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	74%	0.741	S	S	*	*			trans	-59.9	108.9	172.2	-173.8	33.7	0	0	0	109.4	P146 T150	P146-D148 PolarHBondContact O-N 2.93Å; D148-T150 PolarHBondContact O-N 3.33Å
149	D	41	Very low	41.2	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	74%	0.744	S	S	*	*			trans	-71.5	76.1	176.2	-76.3	-40.1	0	0	0	109.7	A147 V151	A147-D149 PolarHBondContact O-N 2.91Å; D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3Å
150	T	43.1	Very low	41.4	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	74%	0.742	S	S	*	*			trans	-72.9	95.7	159	8.1	0	0	0	0	107.5	D148 H152	D148-T150 PolarHBondContact O-N 3.33Å; T150-H152 PolarHBondContact O-N 3.36Å
151	V	42.7	Very low	40.8	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	74%	0.742	S	S	*	*			trans	-46.9	101	173.5	178.7	0	0	0	0	109	D149 E153	D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3Å; V151-E153 PolarHBondContact O-N 3.4Å
152	H	44.8	Very low	41.1	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.787	75%	0.748	S	S	*	*			trans	-71.9	100.2	169.7	-155.6	-38.9	0	0	0	106.4	T150 S154	T150-H152 PolarHBondContact O-N 3.36Å; H152-S154 PolarHBondContact O-N 3.34Å
153	E	38.6	Very low	40.9	Very low	172 Å²	172	131 Å²	131	80%	0.804	74%	0.744	S	S	*	*			trans	-57.2	109.1	173.9	-167.5	157.8	112.6	0	0	107.7	V151 A155	V151-E153 PolarHBondContact O-N 3.4Å; E153-A155 PolarHBondContact O-N 3.46Å
154	S	44.5	Very low	41.2	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	75%	0.748	S	S	*	*			trans	-67.7	113.8	173.9	-66.6	0	0	0	0	106.4	H152 E156	H152-S154 PolarHBondContact O-N 3.34Å; S154-E156 PolarHBondContact O-N 3.36Å
155	A	44.4	Very low	40.9	Very low	79 Å²	79	132.2 Å²	132.2	65%	0.653	75%	0.751	S	S	*	*			trans	-54.4	115.1	175.5	0	0	0	0	0	109.2	E153	E153-A155 PolarHBondContact O-N 3.46Å
156	E	40	Very low	41.4	Very low	183 Å²	183	129.1 Å²	129.1	86%	0.855	74%	0.744	S	S	*	*			trans	-59.1	136.1	173.6	-78.9	177.6	121.2	0	0	109.6	S154 S158	S154-E156 PolarHBondContact O-N 3.36Å; E156-S158 PolarHBondContact O-N 3.35Å
157	P	41	Very low	41.5	Very low	69 Å²	69	129 Å²	129	45%	0.448	74%	0.743	S	S	.	*			trans	-64.7	133.9	169.3	-9.7	23.8	0	0	0	108.6	F83 R159	F83-P157 HydrophobicContact CE1-CG 3.65Å; F83-P157 HydrophobicContact CZ-CG 3.69Å; P157-R159 PolarHBondContact O-N 2.79Å
158	S	41.1	Very low	42	Very low	72 Å²	72	136.1 Å²	136.1	50%	0.503	75%	0.751	S	S	.	*			trans	-54.2	115.4	170.6	53.6	0	0	0	0	109.7	K57 E156 G160	K57-S158 WeakPolarHBondContact CE-OG 3.1Å; K57-S158 PolarHBondContact NZ-OG 2.87Å; E156-S158 PolarHBondContact O-N 3.35Å; S158-G160 PolarHBondContact O-N 2.82Å
159	R	41.3	Very low	43.3	Very low	235 Å²	235	134.7 Å²	134.7	89%	0.887	74%	0.743	S	S	*	*			trans	-52.1	104.1	173.6	-169.5	176.6	179.9	128.3	-3	109.3	P157 E161	P157-R159 PolarHBondContact O-N 2.79Å; R159-E161 PolarHBondContact O-N 3.22Å
160	G	40.8	Very low	44.3	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	73%	0.728	S	S	*	*			trans	-68.9	108.1	169.5	0	0	0	0	0	109	S158 N162	S158-G160 PolarHBondContact O-N 2.82Å; G160-N162 PolarHBondContact O-N 3.35Å
161	E	35.1	Very low	45.3	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.822	73%	0.727	S	S	*	*			trans	-71	94.5	168.9	-68.6	-175.9	140.5	0	0	108.9	R159 A163	R159-E161 PolarHBondContact O-N 3.22Å; E161-A163 PolarHBondContact O-N 2.91Å
162	N	41.4	Very low	46.5	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	73%	0.728	S	S	*	*			trans	-73.8	74.8	159.9	-72.3	-27.3	0	0	0	108.2	G160 A164	G160-N162 PolarHBondContact O-N 3.35Å; N162-A164 PolarHBondContact O-N 2.87Å
163	A	38.8	Very low	47.8	Very low	79 Å²	79	131.2 Å²	131.2	65%	0.653	72%	0.716	S	S	*	*			trans	-67.3	113	162	0	0	0	0	0	107.1	E161 Q165	E161-A163 PolarHBondContact O-N 2.91Å; A163-Q165 PolarHBondContact O-N 3.23Å
164	A	41.6	Very low	49.7	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	70%	0.701	S	S	*	*			trans	-51.5	108.5	164.3	0	0	0	0	0	107.7	N162 T166	N162-A164 PolarHBondContact O-N 2.87Å; A164-T166 PolarHBondContact O-N 3.08Å
165	Q	42.9	Very low	51.3	Low	188 Å²	188	124.5 Å²	124.5	88%	0.879	68%	0.684	S	S	*	*			trans	-63.8	101.3	175.2	-72.9	179.2	0.1	0	0	107.4	A163	A163-Q165 PolarHBondContact O-N 3.23Å
166	T	50	Low	53.3	Low	115 Å²	115	124.4 Å²	124.4	71%	0.706	68%	0.675	S	S	*	*			trans	-61.6	126.6	160.2	9.1	0	0	0	0	106.3	A164 R168	A164-T166 PolarHBondContact O-N 3.08Å; T166-R168 PolarHBondContact O-N 3.49Å
167	P	40.7	Very low	55.5	Low	118 Å²	118	120.6 Å²	120.6	77%	0.766	66%	0.66	S	S	*	*			trans	-66.3	100	-178.4	26.1	-31.6	0	0	0	108.3	I169	P167-I169 PolarHBondContact O-N 3.21Å
168	R	55.1	Low	57.7	Low	237 Å²	237	122.4 Å²	122.4	89%	0.894	67%	0.665	S	S	*	*			trans	-75.5	95.7	169.9	-73	-165.2	177	178.1	0.4	107.5	T166 P170	T166-R168 PolarHBondContact O-N 3.49Å; R168-P170 WeakPolarHBondContact O-CD 3.49Å
169	I	60.6	Low	59.9	Low	110 Å²	110	126.4 Å²	126.4	56%	0.564	67%	0.674	S	S	*	*			trans	-56.1	122.6	167.5	-59.4	171.8	0	0	0	106.5	P167 S171 L173 L174	P167-I169 PolarHBondContact O-N 3.21Å; I169-S171 PolarHBondContact O-N 2.86Å; I169-L173 HydrophobicContact CG2-CB 4.04Å; I169-L174 HydrophobicContact CG2-CD1 4.3Å
170	P	62.1	Low	62.1	Low	74 Å²	74	120.6 Å²	120.6	48%	0.481	66%	0.66	S	S	.	*			trans	-59.1	129.3	178.9	22.8	-32.3	0	0	0	108.7	R168 R172 L173	R168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-R172 PolarHBondContact O-N 3.06Å; P170-L173 HydrophobicContact CG-CB 4.24Å; P170-L173 HydrophobicContact CG-CD1 3.47Å; P170-L173 VanDerWaalsContact CG-CD1 3.47Å; P170-L173 HydrophobicContact CG-CG 3.79Å; P170-L173 PolarHBondContact O-N 3.35Å
171	S	64.8	Low	64.4	Low	101 Å²	101	122 Å²	122	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-48.4	-27.1	-177.5	161.9	0	0	0	0	113.4	I169 L174 A175	I169-S171 PolarHBondContact O-N 2.86Å; S171-L174 PolarHBondContact O-N 3.11Å; S171-A175 WeakPolarHBondContact O-CB 3.5Å; S171-A175 PolarHBondContact O-N 2.83Å; S171-A175 VanDerWaalsContact O-N 3.08Å
172	R	67.4	Low	67	Low	214 Å²	214	115.8 Å²	115.8	81%	0.808	63%	0.63	S	S	*	*	H	α-helix	trans	-66.6	-37.1	175.1	-59.2	-142.2	178.5	-162.2	1.1	114	P170 T176	P170-R172 PolarHBondContact O-N 3.06Å; R172-T176 WeakPolarHBondContact O-CG2 3.49Å; R172-T176 PolarHBondContact O-N 3.03Å; R172-T176 PolarHBondContact O-OG1 3.45Å; R172-T176 VanDerWaalsContact O-OG1 3.11Å
173	L	72.6	Confident	69.2	Low	103 Å²	103	113.6 Å²	113.6	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-70.7	-36.7	177.3	-74.4	176.4	0	0	0	111.8	I169 P170 T176 L177	I169-L173 HydrophobicContact CG2-CB 4.04Å; P170-L173 HydrophobicContact CG-CB 4.24Å; P170-L173 HydrophobicContact CG-CD1 3.47Å; P170-L173 VanDerWaalsContact CG-CD1 3.47Å; P170-L173 HydrophobicContact CG-CG 3.79Å; P170-L173 PolarHBondContact O-N 3.35Å; L173-T176 VanDerWaalsContact CA-OG1 3.31Å; L173-T176 WeakPolarHBondContact CA-OG1 3.4Å; L173-T176 PolarHBondContact O-N 3Å; L173-T176 PolarHBondContact O-OG1 2.9Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 PolarHBondContact O-N 2.81Å
174	L	76.6	Confident	71.3	Confident	91 Å²	91	116.4 Å²	116.4	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-66.1	-43	175.9	-145.3	95.7	0	0	0	110.9	I169 S171 L177 L178	I169-L174 HydrophobicContact CG2-CD1 4.3Å; S171-L174 PolarHBondContact O-N 3.11Å; L174-L177 PolarHBondContact O-N 3.5Å; L174-L178 HydrophobicContact CD2-CD1 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.42Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.04Å
175	A	79.7	Confident	73.2	Confident	47 Å²	47	119 Å²	119	39%	0.388	62%	0.619	S	S	.	*	H	α-helix	trans	-63.9	-42.4	177	0	0	0	0	0	112.2	S171 L178 F179	S171-A175 WeakPolarHBondContact O-CB 3.5Å; S171-A175 PolarHBondContact O-N 2.83Å; S171-A175 VanDerWaalsContact O-N 3.08Å; A175-L178 PolarHBondContact O-N 3.37Å; A175-F179 PolarHBondContact O-N 3Å
176	T	84.7	Confident	74.8	Confident	76 Å²	76	116.4 Å²	116.4	47%	0.466	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-38.7	176.4	47.8	0	0	0	0	112.4	R172 L173 F179 L180	R172-T176 WeakPolarHBondContact O-CG2 3.49Å; R172-T176 PolarHBondContact O-N 3.03Å; R172-T176 PolarHBondContact O-OG1 3.45Å; R172-T176 VanDerWaalsContact O-OG1 3.11Å; L173-T176 VanDerWaalsContact CA-OG1 3.31Å; L173-T176 WeakPolarHBondContact CA-OG1 3.4Å; L173-T176 PolarHBondContact O-N 3Å; L173-T176 PolarHBondContact O-OG1 2.9Å; T176-F179 PolarHBondContact O-N 3.45Å; T176-L180 WeakPolarHBondContact O-CG 3.5Å; T176-L180 PolarHBondContact O-N 2.97Å
177	L	86.8	Confident	75.5	Confident	103 Å²	103	121.2 Å²	121.2	54%	0.539	63%	0.631	S	S	.	*	H	α-helix	trans	-66.8	-42.9	178	-170	72.7	0	0	0	111.4	L173 L174 L180 L181	L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 PolarHBondContact O-N 2.81Å; L174-L177 PolarHBondContact O-N 3.5Å; L177-L180 PolarHBondContact O-N 2.99Å; L177-L181 HydrophobicContact CG-CD1 4.22Å; L177-L181 WeakPolarHBondContact O-CB 3.34Å; L177-L181 WeakPolarHBondContact O-CG 3.42Å; L177-L181 PolarHBondContact O-N 3.34Å
178	L	86.9	Confident	77.2	Confident	108 Å²	108	121.4 Å²	121.4	57%	0.565	62%	0.624	S	S	*	*	H	α-helix	trans	-63	-40.8	175.7	-75.7	165.7	0	0	0	112	L174 A175 L181 A182	L174-L178 HydrophobicContact CD2-CD1 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.42Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.04Å; A175-L178 PolarHBondContact O-N 3.37Å; L178-L181 PolarHBondContact O-N 3.02Å; L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 3.43Å
179	F	87.2	Confident	78.4	Confident	155 Å²	155	115.3 Å²	115.3	68%	0.68	61%	0.61	S	S	*	*	H	α-helix	trans	-62.7	-44.3	174.8	-105.3	-80.3	0	0	0	112.3	A175 T176 A182 M183	A175-F179 PolarHBondContact O-N 3Å; T176-F179 PolarHBondContact O-N 3.45Å; F179-A182 PolarHBondContact O-N 3.49Å; F179-M183 WeakPolarHBondContact O-CG 3.37Å; F179-M183 PolarHBondContact O-N 3.34Å
180	L	87.5	Confident	79.4	Confident	114 Å²	114	115.6 Å²	115.6	60%	0.597	61%	0.612	S	S	*	*	H	α-helix	trans	-64.1	-41	178.1	-74	165.3	0	0	0	112.1	T176 L177 M183 L184	T176-L180 WeakPolarHBondContact O-CG 3.5Å; T176-L180 PolarHBondContact O-N 2.97Å; L177-L180 PolarHBondContact O-N 2.99Å; L180-M183 PolarHBondContact O-N 3.11Å; L180-L184 PolarHBondContact O-N 3.04Å; L180-L184 VanDerWaalsContact O-N 3.11Å
181	L	90.6	Very high	80.4	Confident	95 Å²	95	118.1 Å²	118.1	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-64.3	-41.1	175.5	-77.7	163.9	0	0	0	112.1	L177 L178 M183 L184 L185	L177-L181 HydrophobicContact CG-CD1 4.22Å; L177-L181 WeakPolarHBondContact O-CB 3.34Å; L177-L181 WeakPolarHBondContact O-CG 3.42Å; L177-L181 PolarHBondContact O-N 3.34Å; L178-L181 PolarHBondContact O-N 3.02Å; L181-M183 VanDerWaalsContact C-N 3.34Å; L181-M183 PolarHBondContact O-N 3.29Å; L181-L184 PolarHBondContact O-N 3.46Å; L181-L185 PolarHBondContact O-N 3.45Å
182	A	88.3	Confident	81.4	Confident	45 Å²	45	119.1 Å²	119.1	37%	0.372	61%	0.614	S	S	.	*	H	α-helix	trans	-63.2	-40.2	176.4	0	0	0	0	0	111.9	L178 F179 L184 L185 I186	L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 3.43Å; F179-A182 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact C-N 3.32Å; A182-L184 PolarHBondContact O-N 3.28Å; A182-L185 PolarHBondContact O-N 3.48Å; A182-I186 WeakPolarHBondContact O-CD1 3.32Å; A182-I186 WeakPolarHBondContact O-CG1 3.35Å; A182-I186 PolarHBondContact O-N 3.37Å
183	M	87.8	Confident	82.3	Confident	118 Å²	118	112.8 Å²	112.8	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-66.9	-32.7	176.7	-68.4	-60.9	-66.5	0	0	112.7	F179 L180 L181 L185 I186	F179-M183 WeakPolarHBondContact O-CG 3.37Å; F179-M183 PolarHBondContact O-N 3.34Å; L180-M183 PolarHBondContact O-N 3.11Å; L181-M183 VanDerWaalsContact C-N 3.34Å; L181-M183 PolarHBondContact O-N 3.29Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-I186 PolarHBondContact O-N 3.25Å
184	L	83.9	Confident	83	Confident	138 Å²	138	113.5 Å²	113.5	72%	0.723	61%	0.606	S	S	*	*	H	α-helix	trans	-70	-27.1	176	-121	92.8	0	0	0	113.3	L180 L181 A182 I186	L180-L184 PolarHBondContact O-N 3.04Å; L180-L184 VanDerWaalsContact O-N 3.11Å; L181-L184 PolarHBondContact O-N 3.46Å; A182-L184 VanDerWaalsContact C-N 3.32Å; A182-L184 PolarHBondContact O-N 3.28Å; L184-I186 VanDerWaalsContact C-N 3.33Å
185	L	80.4	Confident	83.5	Confident	149 Å²	149	115.2 Å²	115.2	78%	0.78	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	179.5	-75	162	0	0	0	113.3	L181 A182 M183	L181-L185 PolarHBondContact O-N 3.45Å; A182-L185 PolarHBondContact O-N 3.48Å; M183-L185 VanDerWaalsContact C-N 3.31Å
186	I	77.1	Confident	83.8	Confident	134 Å²	134	120.9 Å²	120.9	69%	0.687	64%	0.635	S	S	*	*			trans	-98.5	-7	-179.6	-62.1	165	0	0	0	111.2	A182 M183 L184	A182-I186 WeakPolarHBondContact O-CD1 3.32Å; A182-I186 WeakPolarHBondContact O-CG1 3.35Å; A182-I186 PolarHBondContact O-N 3.37Å; M183-I186 PolarHBondContact O-N 3.25Å; L184-I186 VanDerWaalsContact C-N 3.33Å
187	L	64.5	Low	83.7	Confident	216 Å²	216	125 Å²	125	100%	1.131	65%	0.65	S	S	*	*			trans	-90.3	0	175	-128.2	87.2	0	0	0	112.4

Retrieved 187 of 187 residues in 1150.1 ms (Link to these results)

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