A0A5K4F3Z9_SCHMA Loading...

PSII_BNR domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Z9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	57	Low	241 Å²	241	94.6 Å²	94.6	100%	1.187	57%	0.567	S	S	*	*				0	112.8	0	-78	168.6	166.3	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 3.15Å
2	S	39.7	Very low	58.5	Low	120 Å²	120	87.6 Å²	87.6	84%	0.839	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-62.7	118.8	169.6	54.3	0	0	0	0	106.7	A4	S2-A4 PolarHBondContact O-N 3.05Å
3	S	45.9	Very low	60	Low	113 Å²	113	86.2 Å²	86.2	79%	0.79	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-57.2	116.1	168.2	51.3	0	0	0	0	106.7	M1 D5	M1-S3 PolarHBondContact O-N 3.15Å; S3-D5 PolarHBondContact O-N 2.94Å
4	A	54.4	Low	61.2	Low	69 Å²	69	82.6 Å²	82.6	57%	0.57	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-49.9	130.7	173.9	0	0	0	0	0	108.3	S2	S2-A4 PolarHBondContact O-N 3.05Å
5	D	57.1	Low	62.7	Low	76 Å²	76	77.3 Å²	77.3	41%	0.406	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.3	176.2	-169.7	-49.1	0	0	0	107.2	S3 S7 D8	S3-D5 PolarHBondContact O-N 2.94Å; D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 2.83Å; D5-S7 PolarHBondContact OD1-OG 2.72Å; D5-D8 WeakPolarHBondContact CB-OD2 3.45Å; D5-D8 WeakPolarHBondContact O-CB 3.47Å; D5-D8 PolarHBondContact O-N 2.85Å
6	P	56.1	Low	64.1	Low	48 Å²	48	80.1 Å²	80.1	31%	0.312	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-52	-24.5	178.1	-23.9	30.9	0	0	0	113.5	D8 R25	P6-D8 VanDerWaalsContact C-N 3.3Å; P6-R25 HydrophobicContact CB-CB 4.24Å; P6-R25 HydrophobicContact CB-CG 4.21Å
7	S	61.7	Low	65.4	Low	40 Å²	40	77 Å²	77	28%	0.28	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-67.4	-25	174.8	-43.5	0	0	0	0	113.8	D5	D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 2.83Å; D5-S7 PolarHBondContact OD1-OG 2.72Å
8	D	64.5	Low	66.5	Low	111 Å²	111	78.9 Å²	78.9	59%	0.594	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-89.4	-3.1	-176.6	-65.8	-29.1	0	0	0	113.2	D5 P6	D5-D8 WeakPolarHBondContact CB-OD2 3.45Å; D5-D8 WeakPolarHBondContact O-CB 3.47Å; D5-D8 PolarHBondContact O-N 2.85Å; P6-D8 VanDerWaalsContact C-N 3.3Å
9	L	69.7	Low	67.4	Low	57 Å²	57	81.1 Å²	81.1	30%	0.298	48%	0.476	S	S	.	.	S	Bend	trans	-64.7	135.6	179.2	-69.7	166.8	0	0	0	110.1	H11 Y12 V13	L9-H11 VanDerWaalsContact CB-CE1 3.43Å; L9-H11 WeakPolarHBondContact CB-CE1 3.47Å; L9-H11 PolarHBondContact O-N 2.82Å; L9-Y12 WeakPolarHBondContact O-CA 3.33Å; L9-Y12 VanDerWaalsContact O-CB 3.3Å; L9-Y12 WeakPolarHBondContact O-CB 3.14Å; L9-Y12 PolarHBondContact O-N 3.25Å; L9-V13 PolarHBondContact O-N 3.34Å
10	P	72.1	Confident	68.5	Low	104 Å²	104	77.1 Å²	77.1	68%	0.675	45%	0.452	S	S	*	.	H	α-helix	trans	-54.8	-36.4	-173.1	-28.8	33.5	0	0	0	114.6	Y12 A14	P10-Y12 VanDerWaalsContact C-N 3.34Å; P10-A14 VanDerWaalsContact O-CB 3.27Å; P10-A14 WeakPolarHBondContact O-CB 3.38Å; P10-A14 PolarHBondContact O-N 2.84Å
11	H	72.9	Confident	69.3	Low	62 Å²	62	82 Å²	82	29%	0.287	47%	0.471	S	S	.	.	H	α-helix	trans	-70.6	-31.7	177	59.9	-98	0	0	0	112.2	L9 M15 R25 G94	L9-H11 VanDerWaalsContact CB-CE1 3.43Å; L9-H11 WeakPolarHBondContact CB-CE1 3.47Å; L9-H11 PolarHBondContact O-N 2.82Å; H11-M15 WeakPolarHBondContact O-CE 3.33Å; H11-M15 VanDerWaalsContact O-CG 3.26Å; H11-M15 WeakPolarHBondContact O-CG 3.49Å; H11-M15 PolarHBondContact O-N 2.69Å; H11-R25 PolarHBondContact NE2-NH2 2.94Å; H11-G94 PolarHBondContact CE1-O 2.79Å; H11-G94 PolarHBondContact NE2-O 3.12Å
12	Y	75.3	Confident	71.8	Confident	10 Å²	10	72 Å²	72	4%	0.039	42%	0.422	C	S	.	.	H	α-helix	trans	-71.7	-46.2	178.5	-149.7	-88.6	0	0	0	110.6	L9 P10 A14 M15 Q16 L22 P23 R25 L90	L9-Y12 WeakPolarHBondContact O-CA 3.33Å; L9-Y12 VanDerWaalsContact O-CB 3.3Å; L9-Y12 WeakPolarHBondContact O-CB 3.14Å; L9-Y12 PolarHBondContact O-N 3.25Å; P10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-A14 VanDerWaalsContact C-N 3.32Å; Y12-A14 PolarHBondContact O-N 3.15Å; Y12-M15 HydrophobicContact CD2-CE 3.97Å; Y12-M15 HydrophobicContact CG-CE 4.36Å; Y12-M15 PolarHBondContact O-N 3.03Å; Y12-M15 VanDerWaalsContact O-N 3.12Å; Y12-Q16 PolarHBondContact O-N 2.84Å; Y12-L22 HydrophobicContact CD1-CD1 3.8Å; Y12-L22 HydrophobicContact CE1-CB 3.64Å; Y12-L22 HydrophobicContact CE1-CD1 3.57Å; Y12-L22 HydrophobicContact CE1-CG 4.25Å; Y12-L22 HydrophobicContact CG-CD1 4.36Å; Y12-L22 WeakPolarHBondContact OH-CB 3.12Å; Y12-P23 PolarHBondContact OH-O 2.87Å; Y12-R25 HydrophobicContact CE2-CG 3.98Å; Y12-L90 HydrophobicContact CD2-CD2 4.32Å; Y12-L90 HydrophobicContact CE2-CD1 3.69Å; Y12-L90 HydrophobicContact CE2-CD2 3.84Å; Y12-L90 HydrophobicContact CE2-CG 4.43Å
13	V	77.5	Confident	73.7	Confident	70 Å²	70	66.9 Å²	66.9	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-44.1	172.7	179.8	0	0	0	0	111.1	L9 M15 Q16	L9-V13 PolarHBondContact O-N 3.34Å; V13-M15 PolarHBondContact O-N 2.59Å; V13-M15 VanDerWaalsContact O-N 3.15Å; V13-Q16 WeakPolarHBondContact O-CB 3.42Å; V13-Q16 PolarHBondContact O-N 3.22Å; V13-Q16 VanDerWaalsContact O-N 3.08Å
14	A	77.2	Confident	75.3	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-18.1	179.2	0	0	0	0	0	114.2	P10 Y12 S112 Q116	P10-A14 VanDerWaalsContact O-CB 3.27Å; P10-A14 WeakPolarHBondContact O-CB 3.38Å; P10-A14 PolarHBondContact O-N 2.84Å; Y12-A14 VanDerWaalsContact C-N 3.32Å; Y12-A14 PolarHBondContact O-N 3.15Å; A14-S112 VanDerWaalsContact O-CB 3.28Å; A14-S112 WeakPolarHBondContact O-CB 3.44Å; A14-Q116 PolarHBondContact O-NE2 3.15Å; A14-Q116 VanDerWaalsContact O-NE2 3.13Å
15	M	84.2	Confident	76.4	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.02	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.4	176	-72.1	-177.2	-59.8	0	0	113.5	H11 Y12 V13 N17 L22 L90 A97 Y115	H11-M15 WeakPolarHBondContact O-CE 3.33Å; H11-M15 VanDerWaalsContact O-CG 3.26Å; H11-M15 WeakPolarHBondContact O-CG 3.49Å; H11-M15 PolarHBondContact O-N 2.69Å; Y12-M15 HydrophobicContact CD2-CE 3.97Å; Y12-M15 HydrophobicContact CG-CE 4.36Å; Y12-M15 PolarHBondContact O-N 3.03Å; Y12-M15 VanDerWaalsContact O-N 3.12Å; V13-M15 PolarHBondContact O-N 2.59Å; V13-M15 VanDerWaalsContact O-N 3.15Å; M15-N17 PolarHBondContact O-N 2.85Å; M15-L22 HydrophobicContact CB-CD1 3.84Å; M15-L90 HydrophobicContact CE-CD2 3.54Å; M15-L90 HydrophobicContact SD-CD2 4.26Å; M15-A97 HydrophobicContact CG-CB 4.28Å; M15-A97 VanDerWaalsContact SD-CA 3.54Å; M15-A97 HydrophobicContact SD-CB 3.32Å; M15-A97 WeakPolarHBondContact SD-CB 3.44Å; M15-A97 PolarHBondContact SD-N 2.91Å; M15-Y115 HydrophobicContact CB-CD1 4.36Å; M15-Y115 HydrophobicContact CB-CE1 4.22Å; M15-Y115 HydrophobicContact CG-CD1 4.37Å; M15-Y115 VanDerWaalsContact O-CE1 3.25Å; M15-Y115 WeakPolarHBondContact O-CE1 3.32Å
16	Q	84	Confident	77.2	Confident	122 Å²	122	64 Å²	64	57%	0.57	35%	0.348	S	S	*	.			trans	-55.7	133.5	177.8	-71.5	-177.8	-3	0	0	110.6	Y12 V13	Y12-Q16 PolarHBondContact O-N 2.84Å; V13-Q16 WeakPolarHBondContact O-CB 3.42Å; V13-Q16 PolarHBondContact O-N 3.22Å; V13-Q16 VanDerWaalsContact O-N 3.08Å
17	N	87.2	Confident	78.3	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.144	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-148.5	143.3	-177.9	-174.4	-81.2	0	0	0	109.5	M15 F19 V20 L119	M15-N17 PolarHBondContact O-N 2.85Å; N17-F19 PolarHBondContact O-N 3.26Å; N17-F19 WeakPolarHBondContact OD1-CB 3.21Å; N17-F19 WeakPolarHBondContact OD1-CD2 3.31Å; N17-F19 PolarHBondContact OD1-N 3.06Å; N17-V20 CarbonylContact O-C 3.48Å; N17-V20 PolarHBondContact O-N 3.36Å; N17-L119 HydrophobicContact CB-CD1 4.01Å
18	S	84.7	Confident	79.2	Confident	112 Å²	112	61 Å²	61	78%	0.783	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.8	-177.4	50.3	0	0	0	0	113.9
19	F	83.8	Confident	80.2	Confident	120 Å²	120	55.7 Å²	55.7	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-23.4	178.9	-53.3	-65.3	0	0	0	113.2	N17 I125 T127	N17-F19 PolarHBondContact O-N 3.26Å; N17-F19 WeakPolarHBondContact OD1-CB 3.21Å; N17-F19 WeakPolarHBondContact OD1-CD2 3.31Å; N17-F19 PolarHBondContact OD1-N 3.06Å; F19-I125 HydrophobicContact CB-CD1 3.73Å; F19-I125 HydrophobicContact CD2-CD1 4.41Å; F19-I125 HydrophobicContact CG-CD1 4.17Å; F19-T127 WeakPolarHBondContact O-CG2 3.46Å
20	V	89.1	Confident	81.1	Confident	1 Å²	1	54 Å²	54	1%	0.006	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-130.7	105.7	-174.6	-174.9	0	0	0	0	109.5	N17 L22 A79 L119 I125 T127	N17-V20 CarbonylContact O-C 3.48Å; N17-V20 PolarHBondContact O-N 3.36Å; V20-L22 PolarHBondContact O-N 2.85Å; V20-A79 HydrophobicContact CG1-CB 4.05Å; V20-A79 HydrophobicContact CG2-CB 4.09Å; V20-L119 HydrophobicContact CB-CD1 4.26Å; V20-L119 HydrophobicContact CG2-CD1 3.73Å; V20-L119 HydrophobicContact CG2-CD2 3.9Å; V20-L119 HydrophobicContact CG2-CG 4.46Å; V20-I125 HydrophobicContact CG2-CG2 3.74Å; V20-T127 HydrophobicContact CB-CG2 4.39Å; V20-T127 HydrophobicContact CG1-CG2 4.29Å; V20-T127 HydrophobicContact CG2-CG2 4.08Å
21	Q	85.2	Confident	82	Confident	180 Å²	180	49.1 Å²	49.1	84%	0.841	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-74.9	124.6	170.2	-120.8	177.1	2.5	0	0	109.5
22	L	85.8	Confident	82.7	Confident	31 Å²	31	48.3 Å²	48.3	16%	0.162	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-76.2	125.5	175.6	-64.4	176.3	0	0	0	109.2	Y12 M15 V20 I78	Y12-L22 HydrophobicContact CD1-CD1 3.8Å; Y12-L22 HydrophobicContact CE1-CB 3.64Å; Y12-L22 HydrophobicContact CE1-CD1 3.57Å; Y12-L22 HydrophobicContact CE1-CG 4.25Å; Y12-L22 HydrophobicContact CG-CD1 4.36Å; Y12-L22 WeakPolarHBondContact OH-CB 3.12Å; M15-L22 HydrophobicContact CB-CD1 3.84Å; V20-L22 PolarHBondContact O-N 2.85Å; L22-I78 HydrophobicContact CD2-CD1 4.18Å; L22-I78 HydrophobicContact CD2-CG2 4.01Å
23	P	80.3	Confident	83.4	Confident	13 Å²	13	48.5 Å²	48.5	8%	0.084	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-73.8	147	178.9	30.8	-33.3	0	0	0	110.2	Y12 R25 T29 I78 V130	Y12-P23 PolarHBondContact OH-O 2.87Å; P23-R25 PolarHBondContact O-N 2.94Å; P23-T29 HydrophobicContact CB-CG2 3.78Å; P23-T29 HydrophobicContact CG-CG2 3.71Å; P23-I78 HydrophobicContact CG-CG2 3.97Å; P23-V130 HydrophobicContact CB-CG2 3.48Å; P23-V130 VanDerWaalsContact CB-CG2 3.48Å
24	D	79.1	Confident	83.7	Confident	83 Å²	83	48 Å²	48	44%	0.444	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-47.8	134.8	171	174.8	-84	0	0	0	110.6	Q26 A27 Q76	D24-Q26 PolarHBondContact O-N 2.9Å; D24-Q26 VanDerWaalsContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.09Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.21Å; D24-Q26 PolarHBondContact OD1-N 2.94Å; D24-A27 HydrophobicContact CB-CB 4.18Å; D24-A27 VanDerWaalsContact O-CB 3.26Å; D24-A27 WeakPolarHBondContact O-CB 3.45Å; D24-A27 PolarHBondContact O-N 3.1Å; D24-A27 PolarHBondContact OD1-N 3.19Å; D24-Q76 PolarHBondContact O-NE2 3.14Å
25	R	77	Confident	84	Confident	10 Å²	10	51.6 Å²	51.6	4%	0.038	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	-175.1	-86.4	-156.6	-174.3	-118.5	0.5	114.2	P6 H11 Y12 P23 R54 E75 G91 G94 G95	P6-R25 HydrophobicContact CB-CB 4.24Å; P6-R25 HydrophobicContact CB-CG 4.21Å; H11-R25 PolarHBondContact NE2-NH2 2.94Å; Y12-R25 HydrophobicContact CE2-CG 3.98Å; P23-R25 PolarHBondContact O-N 2.94Å; R25-R54 VanDerWaalsContact C-NH2 3.33Å; R25-R54 PolarHBondContact O-NH1 3.5Å; R25-R54 PolarHBondContact O-NH2 3.35Å; R25-E75 IonicContact NH1-OE2 3.62Å; R25-E75 PolarHBondContact NH1-OE2 3.3Å; R25-G91 PolarHBondContact NH1-O 2.91Å; R25-G91 VanDerWaalsContact NH1-O 3.08Å; R25-G94 VanDerWaalsContact NH1-CA 3.25Å; R25-G94 PolarHBondContact NH2-O 2.71Å; R25-G95 PolarHBondContact NH2-O 2.75Å
26	Q	74.8	Confident	84.2	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-15.2	174.1	-54.5	-65.2	-16	0	0	113.3	D24 R54	D24-Q26 PolarHBondContact O-N 2.9Å; D24-Q26 VanDerWaalsContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.09Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.21Å; D24-Q26 PolarHBondContact OD1-N 2.94Å; Q26-R54 PolarHBondContact O-NH2 3.11Å
27	A	78.7	Confident	84.2	Confident	15 Å²	15	47.4 Å²	47.4	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-68	129.7	178.2	0	0	0	0	0	114.7	D24 R54 Q76 V130	D24-A27 HydrophobicContact CB-CB 4.18Å; D24-A27 VanDerWaalsContact O-CB 3.26Å; D24-A27 WeakPolarHBondContact O-CB 3.45Å; D24-A27 PolarHBondContact O-N 3.1Å; D24-A27 PolarHBondContact OD1-N 3.19Å; A27-R54 PolarHBondContact O-NH2 3.02Å; A27-Q76 PolarHBondContact O-NE2 3.44Å; A27-V130 HydrophobicContact CB-CG1 3.68Å; A27-V130 HydrophobicContact CB-CG2 4.2Å
28	N	81.4	Confident	84.3	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.059	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.7	168.1	-66.4	-8.5	0	0	0	109.2	Y39 C40 G41 M131	N28-Y39 HydrophobicContact CB-CE2 4.32Å; N28-Y39 PolarHBondContact ND2-OH 3.07Å; N28-C40 CarbonylContact C-O 3.46Å; N28-C40 WeakPolarHBondContact CA-O 3.47Å; N28-C40 WeakPolarHBondContact CB-O 3.35Å; N28-G41 WeakPolarHBondContact OD1-CA 3.33Å; N28-M131 HydrophobicContact CB-CB 4.08Å; N28-M131 PolarHBondContact O-N 3.49Å
29	T	85.5	Confident	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.8	-179.6	66.5	0	0	0	0	111.6	P23 Y39 C40 Q76 I77 S129	P23-T29 HydrophobicContact CB-CG2 3.78Å; P23-T29 HydrophobicContact CG-CG2 3.71Å; T29-Y39 CarbonylContact O-C 3.5Å; T29-Y39 WeakPolarHBondContact O-CA 3.29Å; T29-C40 PolarHBondContact N-O 3.05Å; T29-C40 PolarHBondContact O-N 3.38Å; T29-Q76 HydrophobicContact CG2-CG 3.89Å; T29-I77 PolarHBondContact OG1-O 2.84Å; T29-I77 VanDerWaalsContact OG1-O 3.11Å; T29-S129 CarbonylContact C-O 3.51Å; T29-S129 VanDerWaalsContact CA-O 3.29Å; T29-S129 WeakPolarHBondContact CA-O 3.4Å
30	F	87.8	Confident	84.5	Confident	21 Å²	21	35.6 Å²	35.6	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.8	169.9	66.9	-88.6	0	0	0	111.3	L37 F38 A128 S129 M131 V153	F30-L37 HydrophobicContact CB-CD1 4.15Å; F30-F38 CarbonylContact C-O 3.56Å; F30-F38 WeakPolarHBondContact CA-O 3.19Å; F30-F38 WeakPolarHBondContact CB-O 3.3Å; F30-A128 CarbonylContact O-C 3.51Å; F30-A128 VanDerWaalsContact O-CA 3.31Å; F30-A128 WeakPolarHBondContact O-CA 3.38Å; F30-S129 WeakPolarHBondContact CD1-O 3.28Å; F30-S129 VanDerWaalsContact CE1-CB 3.41Å; F30-S129 PolarHBondContact N-O 3.49Å; F30-S129 PolarHBondContact O-N 2.94Å; F30-M131 HydrophobicContact CD1-CB 4.44Å; F30-V153 HydrophobicContact CD1-CG1 3.51Å; F30-V153 HydrophobicContact CD2-CG1 3.49Å; F30-V153 VanDerWaalsContact CD2-CG1 3.49Å; F30-V153 HydrophobicContact CE1-CG1 3.26Å; F30-V153 HydrophobicContact CE2-CG1 3.24Å; F30-V153 HydrophobicContact CG-CG1 3.61Å; F30-V153 HydrophobicContact CZ-CB 4.4Å; F30-V153 HydrophobicContact CZ-CG1 3.09Å
31	L	89.8	Confident	84.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.7	178.5	-179.5	74.6	0	0	0	109.7	V33 F38 I77 L87 I126 T127 A128	L31-V33 HydrophobicContact CD2-CG2 3.74Å; L31-V33 HydrophobicContact CG-CG2 3.9Å; L31-F38 HydrophobicContact CB-CB 4.28Å; L31-F38 PolarHBondContact N-O 2.9Å; L31-F38 PolarHBondContact O-N 3.48Å; L31-I77 HydrophobicContact CB-CG2 3.88Å; L31-I77 HydrophobicContact CD2-CG2 3.53Å; L31-I77 HydrophobicContact CG-CG2 4.34Å; L31-L87 HydrophobicContact CD2-CD1 3.54Å; L31-I126 HydrophobicContact CD1-CB 4.2Å; L31-I126 HydrophobicContact CD1-CG2 3.68Å; L31-I126 WeakPolarHBondContact CD1-O 3.31Å; L31-T127 VanDerWaalsContact CD1-C 3.46Å; L31-T127 WeakPolarHBondContact CD1-O 3.48Å; L31-A128 HydrophobicContact CB-CB 4.22Å; L31-A128 HydrophobicContact CD1-CB 4.42Å
32	N	88.8	Confident	83.4	Confident	45 Å²	45	33.2 Å²	33.2	24%	0.241	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.9	173.3	-65	-79.4	0	0	0	109.8	L37 A154	N32-L37 WeakPolarHBondContact OD1-CD1 3.37Å; N32-A154 WeakPolarHBondContact ND2-CB 3.43Å
33	V	88.9	Confident	82.2	Confident	13 Å²	13	32.9 Å²	32.9	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	103.5	175.4	-176.9	0	0	0	0	108.2	L31 D35 L36 F38 Y80 L103	L31-V33 HydrophobicContact CD2-CG2 3.74Å; L31-V33 HydrophobicContact CG-CG2 3.9Å; V33-D35 PolarHBondContact O-N 3.34Å; V33-D35 VanDerWaalsContact O-N 3.11Å; V33-L36 PolarHBondContact N-O 2.88Å; V33-L36 WeakPolarHBondContact O-CB 3.46Å; V33-L36 PolarHBondContact O-N 3.31Å; V33-F38 HydrophobicContact CB-CE2 4.17Å; V33-F38 HydrophobicContact CG2-CD2 4.3Å; V33-F38 HydrophobicContact CG2-CE2 4.09Å; V33-Y80 HydrophobicContact CB-CD1 4.46Å; V33-Y80 HydrophobicContact CB-CG 4.46Å; V33-Y80 HydrophobicContact CG1-CD1 3.56Å; V33-Y80 HydrophobicContact CG1-CD2 4.02Å; V33-Y80 HydrophobicContact CG1-CE1 3.46Å; V33-Y80 VanDerWaalsContact CG1-CE1 3.46Å; V33-Y80 HydrophobicContact CG1-CE2 3.96Å; V33-Y80 HydrophobicContact CG1-CG 3.82Å; V33-Y80 HydrophobicContact CG2-CD1 4.05Å; V33-Y80 HydrophobicContact CG2-CD2 4.25Å; V33-Y80 HydrophobicContact CG2-CG 3.73Å; V33-L103 HydrophobicContact CG1-CD2 4.35Å
34	G	85.3	Confident	80.6	Confident	61 Å²	61	36.7 Å²	36.7	63%	0.629	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	-114.5	-175.2	0	0	0	0	0	112	K61	G34-K61 WeakPolarHBondContact O-CE 3.4Å; G34-K61 PolarHBondContact O-NZ 2.73Å
35	D	83.9	Confident	79	Confident	109 Å²	109	33.2 Å²	33.2	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	12.6	178.2	-66.3	-31.4	0	0	0	114	V33 K61	V33-D35 PolarHBondContact O-N 3.34Å; V33-D35 VanDerWaalsContact O-N 3.11Å; D35-K61 HydrophobicContact CB-CB 4.22Å; D35-K61 HydrophobicContact CB-CD 4.14Å; D35-K61 HydrophobicContact CB-CG 4.32Å; D35-K61 WeakPolarHBondContact O-CG 3.2Å; D35-K61 PolarHBondContact O-N 2.73Å; D35-K61 WeakPolarHBondContact OD1-CD 3.4Å; D35-K61 WeakPolarHBondContact OD1-CE 3.5Å; D35-K61 IonicContact OD1-NZ 2.79Å; D35-K61 PolarHBondContact OD1-NZ 2.85Å
36	L	86.4	Confident	77.6	Confident	36 Å²	36	38.8 Å²	38.8	19%	0.188	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.9	176.2	-59	177.6	0	0	0	111.2	V33 F38 I59 L103	V33-L36 PolarHBondContact N-O 2.88Å; V33-L36 WeakPolarHBondContact O-CB 3.46Å; V33-L36 PolarHBondContact O-N 3.31Å; L36-F38 HydrophobicContact CB-CE2 3.94Å; L36-F38 HydrophobicContact CB-CZ 4.45Å; L36-F38 HydrophobicContact CD1-CE2 4.35Å; L36-F38 HydrophobicContact CD1-CZ 4.18Å; L36-I59 WeakPolarHBondContact CA-O 3.35Å; L36-L103 HydrophobicContact CD1-CB 4.12Å; L36-L103 HydrophobicContact CD1-CD1 3.85Å; L36-L103 HydrophobicContact CD1-CG 4.41Å
37	L	85.8	Confident	76.4	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.9	166.8	174.7	57	0	0	0	108.8	F30 N32 K58 I59 W157 M164	F30-L37 HydrophobicContact CB-CD1 4.15Å; N32-L37 WeakPolarHBondContact OD1-CD1 3.37Å; L37-K58 CarbonylContact O-C 3.47Å; L37-K58 VanDerWaalsContact O-CA 3.29Å; L37-K58 WeakPolarHBondContact O-CA 3.46Å; L37-I59 PolarHBondContact N-O 3.42Å; L37-I59 PolarHBondContact O-N 3.41Å; L37-W157 HydrophobicContact CD2-CB 4.21Å; L37-W157 HydrophobicContact CD2-CD2 3.62Å; L37-W157 HydrophobicContact CD2-CE3 3.79Å; L37-W157 HydrophobicContact CD2-CG 3.79Å; L37-W157 HydrophobicContact CD2-CZ3 4.28Å; L37-M164 HydrophobicContact CD2-CE 3.17Å; L37-M164 HydrophobicContact CG-CE 3.96Å
38	F	89.4	Confident	74.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.9	169.3	-62.1	-94.5	0	0	0	108.8	F30 L31 V33 L36 F57 K58 V70 I77 L87 L103	F30-F38 CarbonylContact C-O 3.56Å; F30-F38 WeakPolarHBondContact CA-O 3.19Å; F30-F38 WeakPolarHBondContact CB-O 3.3Å; L31-F38 HydrophobicContact CB-CB 4.28Å; L31-F38 PolarHBondContact N-O 2.9Å; L31-F38 PolarHBondContact O-N 3.48Å; V33-F38 HydrophobicContact CB-CE2 4.17Å; V33-F38 HydrophobicContact CG2-CD2 4.3Å; V33-F38 HydrophobicContact CG2-CE2 4.09Å; L36-F38 HydrophobicContact CB-CE2 3.94Å; L36-F38 HydrophobicContact CB-CZ 4.45Å; L36-F38 HydrophobicContact CD1-CE2 4.35Å; L36-F38 HydrophobicContact CD1-CZ 4.18Å; F38-F57 CarbonylContact C-O 3.51Å; F38-F57 VanDerWaalsContact CA-O 3.31Å; F38-F57 WeakPolarHBondContact CA-O 3.44Å; F38-K58 HydrophobicContact CD1-CB 3.69Å; F38-K58 HydrophobicContact CE1-CB 3.63Å; F38-K58 HydrophobicContact CE1-CD 4.08Å; F38-K58 HydrophobicContact CE1-CG 4.45Å; F38-K58 HydrophobicContact CG-CB 4.37Å; F38-K58 HydrophobicContact CZ-CB 4.27Å; F38-K58 HydrophobicContact CZ-CD 4.45Å; F38-V70 HydrophobicContact CD1-CG2 4.45Å; F38-I77 HydrophobicContact CB-CG1 4.15Å; F38-I77 HydrophobicContact CB-CG2 4.42Å; F38-I77 HydrophobicContact CD1-CG1 4.45Å; F38-L87 HydrophobicContact CD1-CD2 3.97Å; F38-L87 HydrophobicContact CE1-CD2 3.45Å; F38-L87 VanDerWaalsContact CE1-CD2 3.45Å; F38-L87 HydrophobicContact CE2-CD1 4.46Å; F38-L87 HydrophobicContact CE2-CD2 4.36Å; F38-L87 HydrophobicContact CZ-CD2 3.69Å; F38-L103 HydrophobicContact CZ-CB 4.33Å
39	Y	85.9	Confident	72.5	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.3	176	169.3	-102.7	0	0	0	109.5	N28 T29 C56 F57 M131 M164 W174	N28-Y39 HydrophobicContact CB-CE2 4.32Å; N28-Y39 PolarHBondContact ND2-OH 3.07Å; T29-Y39 CarbonylContact O-C 3.5Å; T29-Y39 WeakPolarHBondContact O-CA 3.29Å; Y39-C56 CarbonylContact O-C 3.59Å; Y39-C56 VanDerWaalsContact O-CA 3.28Å; Y39-C56 WeakPolarHBondContact O-CA 3.45Å; Y39-F57 HydrophobicContact CD1-CD2 4.29Å; Y39-F57 PolarHBondContact N-O 2.92Å; Y39-F57 PolarHBondContact O-N 3.3Å; Y39-M131 HydrophobicContact CE2-CE 4.44Å; Y39-M131 HydrophobicContact CE2-SD 4.44Å; Y39-M164 HydrophobicContact CD1-SD 4.22Å; Y39-M164 HydrophobicContact CD2-SD 4.21Å; Y39-M164 HydrophobicContact CG-SD 3.89Å; Y39-W174 AromaticContact CD1-CH2 3.49Å; Y39-W174 HydrophobicContact CD1-CH2 3.49Å; Y39-W174 VanDerWaalsContact CD1-CH2 3.49Å; Y39-W174 HydrophobicContact CD1-CZ2 4.02Å; Y39-W174 HydrophobicContact CD1-CZ3 4.37Å; Y39-W174 AromaticContact CE1-CH2 3.26Å; Y39-W174 HydrophobicContact CE1-CH2 3.26Å; Y39-W174 AromaticContact CE1-CZ2 3.53Å; Y39-W174 HydrophobicContact CE1-CZ2 3.53Å; Y39-W174 HydrophobicContact CE1-CZ3 4.01Å; Y39-W174 HydrophobicContact CE2-CZ2 4.43Å; Y39-W174 HydrophobicContact CG-CH2 4.37Å; Y39-W174 AromaticContact CZ-CZ2 3.76Å
40	C	85.9	Confident	70.8	Confident	1 Å²	1	56 Å²	56	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.7	173	-61.1	0	0	0	0	110.1	N28 T29 R55 C56 Q76 I77	N28-C40 CarbonylContact C-O 3.46Å; N28-C40 WeakPolarHBondContact CA-O 3.47Å; N28-C40 WeakPolarHBondContact CB-O 3.35Å; T29-C40 PolarHBondContact N-O 3.05Å; T29-C40 PolarHBondContact O-N 3.38Å; C40-R55 VanDerWaalsContact CA-O 3.31Å; C40-R55 WeakPolarHBondContact CA-O 3.37Å; C40-C56 HydrophobicContact CB-CB 4.14Å; C40-C56 WeakPolarHBondContact CB-SG 3.42Å; C40-C56 WeakPolarHBondContact SG-CB 3.2Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.83Å; C40-Q76 HydrophobicContact CB-CG 4.5Å; C40-I77 VanDerWaalsContact SG-CG1 3.56Å; C40-I77 PolarHBondContact SG-N 3.13Å
41	G	79.9	Confident	69	Low	1 Å²	1	60.6 Å²	60.6	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-177	176.5	0	0	0	0	0	112.7	N28 R55	N28-G41 WeakPolarHBondContact OD1-CA 3.33Å; G41-R55 PolarHBondContact N-O 2.96Å; G41-R55 PolarHBondContact O-N 3.21Å
42	R	71.3	Confident	67.6	Low	130 Å²	130	64.6 Å²	64.6	49%	0.491	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.2	173.3	-80	-175.5	-177.2	-173.1	-0.6	110	L52	R42-L52 HydrophobicContact CB-CB 4.03Å; R42-L52 HydrophobicContact CB-CD1 4.39Å; R42-L52 HydrophobicContact CB-CD2 4.47Å; R42-L52 HydrophobicContact CG-CB 4.3Å
43	A	60.3	Low	66.6	Low	25 Å²	25	65.1 Å²	65.1	21%	0.207	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.9	176	0	0	0	0	0	110.2	G45 L52 V53 R55 F57	A43-G45 PolarHBondContact O-N 3Å; A43-L52 WeakPolarHBondContact O-CA 3.2Å; A43-V53 PolarHBondContact N-O 3.38Å; A43-V53 PolarHBondContact O-N 3.26Å; A43-R55 HydrophobicContact CB-CB 4.32Å; A43-R55 HydrophobicContact CB-CG 4.43Å; A43-F57 HydrophobicContact CB-CE2 4.39Å
44	I	47.2	Very low	66.1	Low	92 Å²	92	66.1 Å²	66.1	47%	0.472	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.7	176.9	-58.9	174.8	0	0	0	108.7	I46 S49 L52	I44-I46 PolarHBondContact O-N 3.46Å; I44-S49 WeakPolarHBondContact CG2-O 3.31Å; I44-L52 HydrophobicContact CG1-CD2 4.24Å
45	G	45.8	Very low	65.8	Low	11 Å²	11	65.5 Å²	65.5	11%	0.113	35%	0.349	C	S	.	.			trans	-61.6	130.6	178.4	0	0	0	0	0	112	A43 K47 G48 D51	A43-G45 PolarHBondContact O-N 3Å; G45-K47 PolarHBondContact O-N 2.88Å; G45-G48 PolarHBondContact O-N 2.77Å; G45-G48 VanDerWaalsContact O-N 3.17Å; G45-D51 PolarHBondContact N-O 2.83Å
46	I	47.7	Very low	65.9	Low	127 Å²	127	60.4 Å²	60.4	65%	0.651	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.8	179.1	-15.2	172.2	0	0	0	114.1	I44	I44-I46 PolarHBondContact O-N 3.46Å
47	K	48.6	Very low	65.8	Low	209 Å²	209	59.2 Å²	59.2	91%	0.909	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	15.3	178.8	-72.4	-169.3	174.9	-176.3	0	114	G45 S49	G45-K47 PolarHBondContact O-N 2.88Å; K47-S49 PolarHBondContact O-N 2.96Å
48	G	36.6	Very low	65.9	Low	72 Å²	72	60 Å²	60	74%	0.742	32%	0.318	S	S	*	.	S	Bend	trans	73	12.2	178.2	0	0	0	0	0	114.3	G45	G45-G48 PolarHBondContact O-N 2.77Å; G45-G48 VanDerWaalsContact O-N 3.17Å
49	S	42.1	Very low	65.4	Low	48 Å²	48	60 Å²	60	34%	0.336	32%	0.318	S	S	.	.			trans	-77.6	133.3	165.8	162.6	0	0	0	0	108.7	I44 K47 D51	I44-S49 WeakPolarHBondContact CG2-O 3.31Å; K47-S49 PolarHBondContact O-N 2.96Å; S49-D51 PolarHBondContact O-N 2.86Å; S49-D51 WeakPolarHBondContact OG-CB 3.39Å; S49-D51 VanDerWaalsContact OG-CG 3.31Å; S49-D51 PolarHBondContact OG-N 2.86Å; S49-D51 PolarHBondContact OG-OD2 2.79Å
50	L	48.5	Very low	65	Low	161 Å²	161	60.3 Å²	60.3	84%	0.843	32%	0.322	S	S	*	.			trans	-69.2	-5.8	170.1	-73.1	165.1	0	0	0	112.2	L52	L50-L52 PolarHBondContact O-N 2.95Å
51	D	50.8	Low	64.4	Low	117 Å²	117	62.2 Å²	62.2	63%	0.626	33%	0.33	S	S	*	.	S	Bend	trans	-70.4	124.5	176.4	-59.7	-42.7	0	0	0	110.2	G45 S49 V53	G45-D51 PolarHBondContact N-O 2.83Å; S49-D51 PolarHBondContact O-N 2.86Å; S49-D51 WeakPolarHBondContact OG-CB 3.39Å; S49-D51 VanDerWaalsContact OG-CG 3.31Å; S49-D51 PolarHBondContact OG-N 2.86Å; S49-D51 PolarHBondContact OG-OD2 2.79Å; D51-V53 PolarHBondContact O-N 3.45Å
52	L	60	Low	63.3	Low	86 Å²	86	65.9 Å²	65.9	45%	0.45	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	112.3	171.2	-71.6	172.8	0	0	0	109.2	R42 A43 I44 L50	R42-L52 HydrophobicContact CB-CB 4.03Å; R42-L52 HydrophobicContact CB-CD1 4.39Å; R42-L52 HydrophobicContact CB-CD2 4.47Å; R42-L52 HydrophobicContact CG-CB 4.3Å; A43-L52 WeakPolarHBondContact O-CA 3.2Å; I44-L52 HydrophobicContact CG1-CD2 4.24Å; L50-L52 PolarHBondContact O-N 2.95Å
53	V	68	Low	63	Low	56 Å²	56	65 Å²	65	34%	0.339	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.5	173.4	-68	0	0	0	0	110.2	A43 D51 R55	A43-V53 PolarHBondContact N-O 3.38Å; A43-V53 PolarHBondContact O-N 3.26Å; D51-V53 PolarHBondContact O-N 3.45Å; V53-R55 HydrophobicContact CG2-CG 4.16Å; V53-R55 PolarHBondContact O-N 3.5Å
54	R	77.8	Confident	63.1	Low	35 Å²	35	70.6 Å²	70.6	13%	0.132	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.7	171.1	-92.1	-76.5	-173.3	94.1	-8.2	109.7	R25 Q26 A27 E75 Q76	R25-R54 VanDerWaalsContact C-NH2 3.33Å; R25-R54 PolarHBondContact O-NH1 3.5Å; R25-R54 PolarHBondContact O-NH2 3.35Å; Q26-R54 PolarHBondContact O-NH2 3.11Å; A27-R54 PolarHBondContact O-NH2 3.02Å; R54-E75 HydrophobicContact CB-CG 3.46Å; R54-E75 VanDerWaalsContact CB-CG 3.46Å; R54-E75 WeakPolarHBondContact CD-O 3.08Å; R54-E75 HydrophobicContact CG-CG 3.61Å; R54-E75 PolarHBondContact NH1-O 3.15Å; R54-E75 IonicContact NH1-OE1 3.57Å; R54-Q76 VanDerWaalsContact NH1-CG 3.28Å; R54-Q76 VanDerWaalsContact NH2-NE2 3.15Å
55	R	80.1	Confident	64	Low	48 Å²	48	70.5 Å²	70.5	18%	0.181	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.5	178.4	-75.8	-77.4	-177.7	160.2	-4	109.3	C40 G41 A43 V53 F57 D69	C40-R55 VanDerWaalsContact CA-O 3.31Å; C40-R55 WeakPolarHBondContact CA-O 3.37Å; G41-R55 PolarHBondContact N-O 2.96Å; G41-R55 PolarHBondContact O-N 3.21Å; A43-R55 HydrophobicContact CB-CB 4.32Å; A43-R55 HydrophobicContact CB-CG 4.43Å; V53-R55 HydrophobicContact CG2-CG 4.16Å; V53-R55 PolarHBondContact O-N 3.5Å; R55-F57 HydrophobicContact CB-CD2 4.5Å; R55-F57 HydrophobicContact CB-CE2 3.62Å; R55-F57 HydrophobicContact CB-CZ 3.71Å; R55-F57 HydrophobicContact CG-CZ 4.3Å; R55-D69 IonicContact CZ-OD2 2.94Å; R55-D69 IonicContact NH1-OD1 3.51Å; R55-D69 IonicContact NH1-OD2 2.65Å; R55-D69 PolarHBondContact NH1-OD2 3.45Å
56	C	86	Confident	65	Low	1 Å²	1	73.1 Å²	73.1	1%	0.007	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.3	170.6	-63.9	0	0	0	0	110	Y39 C40 V70 V74	Y39-C56 CarbonylContact O-C 3.59Å; Y39-C56 VanDerWaalsContact O-CA 3.28Å; Y39-C56 WeakPolarHBondContact O-CA 3.45Å; C40-C56 HydrophobicContact CB-CB 4.14Å; C40-C56 WeakPolarHBondContact CB-SG 3.42Å; C40-C56 WeakPolarHBondContact SG-CB 3.2Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.83Å; C56-V70 HydrophobicContact CB-CB 3.98Å; C56-V70 HydrophobicContact CB-CG2 4.29Å; C56-V70 WeakPolarHBondContact O-CB 3.49Å; C56-V70 PolarHBondContact O-N 2.91Å; C56-V74 HydrophobicContact CB-CG1 3.67Å
57	F	84.5	Confident	66.1	Low	12 Å²	12	67.5 Å²	67.5	5%	0.053	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.8	177.7	-56.3	-82.3	0	0	0	109.1	F38 Y39 A43 R55 W67 F68 D69 I181	F38-F57 CarbonylContact C-O 3.51Å; F38-F57 VanDerWaalsContact CA-O 3.31Å; F38-F57 WeakPolarHBondContact CA-O 3.44Å; Y39-F57 HydrophobicContact CD1-CD2 4.29Å; Y39-F57 PolarHBondContact N-O 2.92Å; Y39-F57 PolarHBondContact O-N 3.3Å; A43-F57 HydrophobicContact CB-CE2 4.39Å; R55-F57 HydrophobicContact CB-CD2 4.5Å; R55-F57 HydrophobicContact CB-CE2 3.62Å; R55-F57 HydrophobicContact CB-CZ 3.71Å; R55-F57 HydrophobicContact CG-CZ 4.3Å; F57-W67 HydrophobicContact CB-CE3 3.6Å; F57-W67 HydrophobicContact CB-CZ3 3.8Å; F57-W67 HydrophobicContact CD1-CE3 4.26Å; F57-W67 HydrophobicContact CD2-CZ3 4.29Å; F57-W67 AromaticContact CG-CE3 3.88Å; F57-W67 HydrophobicContact CG-CE3 3.88Å; F57-W67 HydrophobicContact CG-CZ3 4.05Å; F57-F68 CarbonylContact C-O 3.54Å; F57-F68 VanDerWaalsContact CA-O 3.28Å; F57-F68 WeakPolarHBondContact CA-O 3.32Å; F57-D69 HydrophobicContact CD1-CB 4.43Å; F57-D69 HydrophobicContact CE1-CB 4.4Å; F57-I181 HydrophobicContact CD1-CD1 4.12Å; F57-I181 HydrophobicContact CD1-CG2 4.29Å; F57-I181 HydrophobicContact CE1-CD1 3.78Å; F57-I181 HydrophobicContact CE1-CG2 4.16Å; F57-I181 HydrophobicContact CZ-CD1 3.97Å
58	K	86.6	Confident	67.5	Low	19 Å²	19	62 Å²	62	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146	163.1	69.5	175.3	174.3	-173.6	0	109.9	L37 F38 W67 F68 V70 L103 N105	L37-K58 CarbonylContact O-C 3.47Å; L37-K58 VanDerWaalsContact O-CA 3.29Å; L37-K58 WeakPolarHBondContact O-CA 3.46Å; F38-K58 HydrophobicContact CD1-CB 3.69Å; F38-K58 HydrophobicContact CE1-CB 3.63Å; F38-K58 HydrophobicContact CE1-CD 4.08Å; F38-K58 HydrophobicContact CE1-CG 4.45Å; F38-K58 HydrophobicContact CG-CB 4.37Å; F38-K58 HydrophobicContact CZ-CB 4.27Å; F38-K58 HydrophobicContact CZ-CD 4.45Å; K58-W67 WeakPolarHBondContact O-CA 3.13Å; K58-F68 HydrophobicContact CD-CB 4.4Å; K58-F68 HydrophobicContact CG-CB 3.71Å; K58-F68 HydrophobicContact CG-CD2 4.35Å; K58-F68 HydrophobicContact CG-CG 4.47Å; K58-F68 PolarHBondContact N-O 3.38Å; K58-F68 PolarHBondContact O-N 2.7Å; K58-V70 HydrophobicContact CB-CG2 4.08Å; K58-V70 HydrophobicContact CG-CG2 4.23Å; K58-L103 WeakPolarHBondContact CD-O 3.41Å; K58-L103 PolarHBondContact NZ-O 2.79Å; K58-N105 PolarHBondContact NZ-OD1 3.34Å
59	I	80.3	Confident	69.6	Low	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.4	-176.3	-53.7	158.5	0	0	0	107.8	L36 L37 W67 W157 M164	L36-I59 WeakPolarHBondContact CA-O 3.35Å; L37-I59 PolarHBondContact N-O 3.42Å; L37-I59 PolarHBondContact O-N 3.41Å; I59-W67 HydrophobicContact CD1-CD2 3.86Å; I59-W67 HydrophobicContact CD1-CE3 3.86Å; I59-W67 HydrophobicContact CD1-CH2 3.21Å; I59-W67 HydrophobicContact CD1-CZ2 3.16Å; I59-W67 HydrophobicContact CD1-CZ3 3.56Å; I59-W67 HydrophobicContact CG1-CD2 3.51Å; I59-W67 HydrophobicContact CG1-CE3 3.66Å; I59-W67 HydrophobicContact CG1-CG 4.08Å; I59-W67 HydrophobicContact CG1-CH2 3.99Å; I59-W67 HydrophobicContact CG1-CZ2 3.82Å; I59-W67 HydrophobicContact CG1-CZ3 3.9Å; I59-W157 HydrophobicContact CG2-CH2 3.74Å; I59-W157 HydrophobicContact CG2-CZ3 4.2Å; I59-M164 HydrophobicContact CD1-CE 3.8Å; I59-M164 HydrophobicContact CD1-SD 4.16Å
60	S	77.5	Confident	71.8	Confident	16 Å²	16	59.5 Å²	59.5	11%	0.112	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.5	167.2	55.3	0	0	0	0	111.2	R65 I66	S60-R65 WeakPolarHBondContact O-CA 3.31Å; S60-R65 PolarHBondContact OG-N 2.96Å; S60-I66 PolarHBondContact N-O 2.05Å; S60-I66 PolarHBondContact OG-N 2.95Å; S60-I66 VanDerWaalsContact OG-N 3.16Å
61	K	71.9	Confident	73.3	Confident	41 Å²	41	52.7 Å²	52.7	18%	0.178	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-57.8	167.1	168.3	-79	-175.7	-160	154.6	0	111	G34 D35 W157	G34-K61 WeakPolarHBondContact O-CE 3.4Å; G34-K61 PolarHBondContact O-NZ 2.73Å; D35-K61 HydrophobicContact CB-CB 4.22Å; D35-K61 HydrophobicContact CB-CD 4.14Å; D35-K61 HydrophobicContact CB-CG 4.32Å; D35-K61 WeakPolarHBondContact O-CG 3.2Å; D35-K61 PolarHBondContact O-N 2.73Å; D35-K61 WeakPolarHBondContact OD1-CD 3.4Å; D35-K61 WeakPolarHBondContact OD1-CE 3.5Å; D35-K61 IonicContact OD1-NZ 2.79Å; D35-K61 PolarHBondContact OD1-NZ 2.85Å; K61-W157 HydrophobicContact CB-CZ2 4.46Å; K61-W157 HydrophobicContact CG-CZ2 3.82Å
62	L	58	Low	74.7	Confident	78 Å²	78	51.5 Å²	51.5	41%	0.408	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	140.7	171.1	-78.6	164.8	0	0	0	111.6	R65	L62-R65 HydrophobicContact CD2-CG 4.09Å; L62-R65 VanDerWaalsContact CD2-NH1 3.27Å; L62-R65 HydrophobicContact CG-CG 4.41Å
63	P	65.2	Low	75.9	Confident	110 Å²	110	50.3 Å²	50.3	71%	0.714	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93	-21.2	8.5	33.6	-34.1	0	0	0	115.6	R65	P63-R65 PolarHBondContact O-N 3.34Å
64	E	62.7	Low	76.9	Confident	143 Å²	143	47.7 Å²	47.7	67%	0.668	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-42.6	-166.2	-66.6	179.9	173.3	0	0	113.4	I66	E64-I66 VanDerWaalsContact C-N 3.28Å; E64-I66 HydrophobicContact CB-CD1 4.47Å; E64-I66 HydrophobicContact CB-CG1 4.32Å; E64-I66 WeakPolarHBondContact O-CG1 3.38Å; E64-I66 PolarHBondContact O-N 3.35Å
65	R	64.5	Low	77.4	Confident	90 Å²	90	47.3 Å²	47.3	34%	0.34	25%	0.249	S	C	.	.			trans	45.9	48.4	175	-65.3	-175.6	-71.8	-155.4	-4.4	114.2	S60 L62 P63	S60-R65 WeakPolarHBondContact O-CA 3.31Å; S60-R65 PolarHBondContact OG-N 2.96Å; L62-R65 HydrophobicContact CD2-CG 4.09Å; L62-R65 VanDerWaalsContact CD2-NH1 3.27Å; L62-R65 HydrophobicContact CG-CG 4.41Å; P63-R65 PolarHBondContact O-N 3.34Å
66	I	66.4	Low	77.8	Confident	67 Å²	67	45 Å²	45	34%	0.344	24%	0.241	S	C	.	.			trans	-91.3	121.4	177.9	-52.9	174.1	0	0	0	107.5	S60 E64 F68	S60-I66 PolarHBondContact N-O 2.05Å; S60-I66 PolarHBondContact OG-N 2.95Å; S60-I66 VanDerWaalsContact OG-N 3.16Å; E64-I66 VanDerWaalsContact C-N 3.28Å; E64-I66 HydrophobicContact CB-CD1 4.47Å; E64-I66 HydrophobicContact CB-CG1 4.32Å; E64-I66 WeakPolarHBondContact O-CG1 3.38Å; E64-I66 PolarHBondContact O-N 3.35Å; I66-F68 HydrophobicContact CB-CD2 4.22Å; I66-F68 HydrophobicContact CB-CE2 3.52Å; I66-F68 HydrophobicContact CB-CZ 3.87Å; I66-F68 HydrophobicContact CD1-CZ 4.35Å; I66-F68 HydrophobicContact CG2-CD1 4.38Å; I66-F68 HydrophobicContact CG2-CD2 3.94Å; I66-F68 HydrophobicContact CG2-CE1 3.87Å; I66-F68 HydrophobicContact CG2-CE2 3.39Å; I66-F68 HydrophobicContact CG2-CG 4.41Å; I66-F68 HydrophobicContact CG2-CZ 3.35Å; I66-F68 WeakPolarHBondContact O-CD2 3.13Å
67	W	71.7	Confident	78.1	Confident	8 Å²	8	45 Å²	45	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	168.7	-72.5	73	0	0	0	108.4	F57 K58 I59 M164 A172 W174 I181	F57-W67 HydrophobicContact CB-CE3 3.6Å; F57-W67 HydrophobicContact CB-CZ3 3.8Å; F57-W67 HydrophobicContact CD1-CE3 4.26Å; F57-W67 HydrophobicContact CD2-CZ3 4.29Å; F57-W67 AromaticContact CG-CE3 3.88Å; F57-W67 HydrophobicContact CG-CE3 3.88Å; F57-W67 HydrophobicContact CG-CZ3 4.05Å; K58-W67 WeakPolarHBondContact O-CA 3.13Å; I59-W67 HydrophobicContact CD1-CD2 3.86Å; I59-W67 HydrophobicContact CD1-CE3 3.86Å; I59-W67 HydrophobicContact CD1-CH2 3.21Å; I59-W67 HydrophobicContact CD1-CZ2 3.16Å; I59-W67 HydrophobicContact CD1-CZ3 3.56Å; I59-W67 HydrophobicContact CG1-CD2 3.51Å; I59-W67 HydrophobicContact CG1-CE3 3.66Å; I59-W67 HydrophobicContact CG1-CG 4.08Å; I59-W67 HydrophobicContact CG1-CH2 3.99Å; I59-W67 HydrophobicContact CG1-CZ2 3.82Å; I59-W67 HydrophobicContact CG1-CZ3 3.9Å; W67-M164 HydrophobicContact CH2-CB 4.25Å; W67-M164 HydrophobicContact CH2-CG 4.36Å; W67-M164 HydrophobicContact CH2-SD 3.56Å; W67-M164 VanDerWaalsContact CH2-SD 3.56Å; W67-M164 HydrophobicContact CZ2-CB 4.2Å; W67-M164 HydrophobicContact CZ2-SD 4.3Å; W67-M164 HydrophobicContact CZ3-SD 4.43Å; W67-A172 HydrophobicContact CD2-CB 4.45Å; W67-A172 HydrophobicContact CH2-CB 3.46Å; W67-A172 VanDerWaalsContact CH2-CB 3.46Å; W67-A172 HydrophobicContact CZ2-CB 3.09Å; W67-A172 HydrophobicContact CZ3-CB 4.3Å; W67-W174 AromaticContact CH2-CH2 3.41Å; W67-W174 HydrophobicContact CH2-CH2 3.41Å; W67-W174 VanDerWaalsContact CH2-CH2 3.41Å; W67-W174 HydrophobicContact CH2-CZ2 4.36Å; W67-W174 AromaticContact CH2-CZ3 3.78Å; W67-W174 HydrophobicContact CH2-CZ3 3.78Å; W67-W174 AromaticContact CZ3-CH2 3.72Å; W67-W174 HydrophobicContact CZ3-CH2 3.72Å; W67-W174 AromaticContact CZ3-CZ3 3.86Å; W67-W174 HydrophobicContact CZ3-CZ3 3.86Å; W67-I181 HydrophobicContact CB-CB 4.17Å; W67-I181 HydrophobicContact CB-CG1 4.02Å; W67-I181 HydrophobicContact CB-CG2 3.87Å; W67-I181 HydrophobicContact CD2-CG1 3.95Å; W67-I181 HydrophobicContact CE3-CD1 4.04Å; W67-I181 HydrophobicContact CE3-CG1 3.96Å; W67-I181 HydrophobicContact CG-CG1 3.98Å; W67-I181 HydrophobicContact CZ3-CD1 4.49Å
68	F	78.3	Confident	78.5	Confident	95 Å²	95	44.5 Å²	44.5	42%	0.417	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.6	171.3	-64.5	-86.1	0	0	0	108.9	F57 K58 I66 V70	F57-F68 CarbonylContact C-O 3.54Å; F57-F68 VanDerWaalsContact CA-O 3.28Å; F57-F68 WeakPolarHBondContact CA-O 3.32Å; K58-F68 HydrophobicContact CD-CB 4.4Å; K58-F68 HydrophobicContact CG-CB 3.71Å; K58-F68 HydrophobicContact CG-CD2 4.35Å; K58-F68 HydrophobicContact CG-CG 4.47Å; K58-F68 PolarHBondContact N-O 3.38Å; K58-F68 PolarHBondContact O-N 2.7Å; I66-F68 HydrophobicContact CB-CD2 4.22Å; I66-F68 HydrophobicContact CB-CE2 3.52Å; I66-F68 HydrophobicContact CB-CZ 3.87Å; I66-F68 HydrophobicContact CD1-CZ 4.35Å; I66-F68 HydrophobicContact CG2-CD1 4.38Å; I66-F68 HydrophobicContact CG2-CD2 3.94Å; I66-F68 HydrophobicContact CG2-CE1 3.87Å; I66-F68 HydrophobicContact CG2-CE2 3.39Å; I66-F68 HydrophobicContact CG2-CG 4.41Å; I66-F68 HydrophobicContact CG2-CZ 3.35Å; I66-F68 WeakPolarHBondContact O-CD2 3.13Å; F68-V70 PolarHBondContact O-N 3.21Å
69	D	81.2	Confident	79	Confident	61 Å²	61	43.6 Å²	43.6	33%	0.326	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125.6	166.5	-165.3	-45.4	0	0	0	108.5	R55 F57 G71	R55-D69 IonicContact CZ-OD2 2.94Å; R55-D69 IonicContact NH1-OD1 3.51Å; R55-D69 IonicContact NH1-OD2 2.65Å; R55-D69 PolarHBondContact NH1-OD2 3.45Å; F57-D69 HydrophobicContact CD1-CB 4.43Å; F57-D69 HydrophobicContact CE1-CB 4.4Å; D69-G71 PolarHBondContact O-N 3.21Å; D69-G71 WeakPolarHBondContact OD1-CA 3.31Å; D69-G71 PolarHBondContact OD1-N 3.16Å
70	V	87.3	Confident	79.8	Confident	5 Å²	5	45 Å²	45	3%	0.03	24%	0.24	C	C	.	.			trans	-80.8	-4.1	-177.6	-176	0	0	0	0	111.2	F38 C56 K58 F68 V74 W107	F38-V70 HydrophobicContact CD1-CG2 4.45Å; C56-V70 HydrophobicContact CB-CB 3.98Å; C56-V70 HydrophobicContact CB-CG2 4.29Å; C56-V70 WeakPolarHBondContact O-CB 3.49Å; C56-V70 PolarHBondContact O-N 2.91Å; K58-V70 HydrophobicContact CB-CG2 4.08Å; K58-V70 HydrophobicContact CG-CG2 4.23Å; F68-V70 PolarHBondContact O-N 3.21Å; V70-V74 HydrophobicContact CB-CG1 3.99Å; V70-V74 HydrophobicContact CG1-CG1 3.64Å; V70-W107 HydrophobicContact CG1-CZ2 3.44Å; V70-W107 VanDerWaalsContact CG1-CZ2 3.44Å; V70-W107 PolarHBondContact O-NE1 2.89Å; V70-W107 VanDerWaalsContact O-NE1 3.15Å
71	G	79.9	Confident	80.7	Confident	19 Å²	19	44.3 Å²	44.3	20%	0.196	24%	0.235	C	C	.	.			trans	99.9	164.6	174.1	0	0	0	0	0	113.5	D69 S73 V74	D69-G71 PolarHBondContact O-N 3.21Å; D69-G71 WeakPolarHBondContact OD1-CA 3.31Å; D69-G71 PolarHBondContact OD1-N 3.16Å; G71-S73 PolarHBondContact O-N 3.47Å; G71-V74 WeakPolarHBondContact O-CG1 3.46Å
72	P	79.9	Confident	81.8	Confident	92 Å²	92	44.5 Å²	44.5	60%	0.597	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.2	-174.4	32.5	-37.3	0	0	0	113.9	V74 S92	P72-V74 VanDerWaalsContact C-N 3.29Å; P72-S92 WeakPolarHBondContact O-CB 3.34Å; P72-S92 PolarHBondContact O-OG 3.26Å
73	S	85.7	Confident	83.6	Confident	61 Å²	61	45.6 Å²	45.6	43%	0.427	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.7	-177.2	-54.7	0	0	0	0	112.5	G71 G91 S92	G71-S73 PolarHBondContact O-N 3.47Å; S73-G91 WeakPolarHBondContact O-CA 3.25Å; S73-S92 PolarHBondContact O-N 2.8Å; S73-S92 PolarHBondContact O-OG 3.11Å
74	V	89.9	Confident	85.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.2	-177	63.2	0	0	0	0	110.8	C56 V70 G71 P72 Q76 I77 I98 W107	C56-V74 HydrophobicContact CB-CG1 3.67Å; V70-V74 HydrophobicContact CB-CG1 3.99Å; V70-V74 HydrophobicContact CG1-CG1 3.64Å; G71-V74 WeakPolarHBondContact O-CG1 3.46Å; P72-V74 VanDerWaalsContact C-N 3.29Å; V74-Q76 VanDerWaalsContact CG2-O 3.3Å; V74-Q76 WeakPolarHBondContact CG2-O 3.3Å; V74-I77 HydrophobicContact CG2-CD1 3.97Å; V74-I98 HydrophobicContact CB-CD1 3.66Å; V74-I98 HydrophobicContact CG2-CD1 3.92Å; V74-W107 HydrophobicContact CB-CZ2 4.35Å; V74-W107 HydrophobicContact CG1-CZ2 4.38Å; V74-W107 HydrophobicContact CG2-CH2 4.36Å; V74-W107 HydrophobicContact CG2-CZ2 4.29Å
75	E	87.1	Confident	86.7	Confident	26 Å²	26	38.2 Å²	38.2	12%	0.121	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-30.1	175.9	-157.2	-172.8	152.6	0	0	111.7	R25 R54 L90	R25-E75 IonicContact NH1-OE2 3.62Å; R25-E75 PolarHBondContact NH1-OE2 3.3Å; R54-E75 HydrophobicContact CB-CG 3.46Å; R54-E75 VanDerWaalsContact CB-CG 3.46Å; R54-E75 WeakPolarHBondContact CD-O 3.08Å; R54-E75 HydrophobicContact CG-CG 3.61Å; R54-E75 PolarHBondContact NH1-O 3.15Å; R54-E75 IonicContact NH1-OE1 3.57Å; E75-L90 PolarHBondContact N-O 3.25Å
76	Q	90	Very high	88.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.9	-173.4	-111.6	166.6	-9.6	0	0	110	D24 A27 T29 C40 R54 V74 G89 L90	D24-Q76 PolarHBondContact O-NE2 3.14Å; A27-Q76 PolarHBondContact O-NE2 3.44Å; T29-Q76 HydrophobicContact CG2-CG 3.89Å; C40-Q76 HydrophobicContact CB-CG 4.5Å; R54-Q76 VanDerWaalsContact NH1-CG 3.28Å; R54-Q76 VanDerWaalsContact NH2-NE2 3.15Å; V74-Q76 VanDerWaalsContact CG2-O 3.3Å; V74-Q76 WeakPolarHBondContact CG2-O 3.3Å; Q76-G89 CarbonylContact O-C 3.49Å; Q76-G89 WeakPolarHBondContact O-CA 3.12Å; Q76-L90 HydrophobicContact CB-CB 4.17Å; Q76-L90 HydrophobicContact CB-CD1 4.08Å; Q76-L90 HydrophobicContact CB-CG 4.46Å; Q76-L90 PolarHBondContact O-N 3.08Å; Q76-L90 VanDerWaalsContact OE1-CD1 3.3Å
77	I	92.2	Very high	89.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.7	166.1	-63.8	-64.2	0	0	0	107.9	T29 L31 F38 C40 V74 L87 W107 A128	T29-I77 PolarHBondContact OG1-O 2.84Å; T29-I77 VanDerWaalsContact OG1-O 3.11Å; L31-I77 HydrophobicContact CB-CG2 3.88Å; L31-I77 HydrophobicContact CD2-CG2 3.53Å; L31-I77 HydrophobicContact CG-CG2 4.34Å; F38-I77 HydrophobicContact CB-CG1 4.15Å; F38-I77 HydrophobicContact CB-CG2 4.42Å; F38-I77 HydrophobicContact CD1-CG1 4.45Å; C40-I77 VanDerWaalsContact SG-CG1 3.56Å; C40-I77 PolarHBondContact SG-N 3.13Å; V74-I77 HydrophobicContact CG2-CD1 3.97Å; I77-L87 HydrophobicContact CD1-CD2 3.96Å; I77-L87 HydrophobicContact CD1-CG 4.19Å; I77-L87 HydrophobicContact CG2-CD1 3.86Å; I77-W107 HydrophobicContact CD1-CH2 3.42Å; I77-W107 VanDerWaalsContact CD1-CH2 3.42Å; I77-W107 HydrophobicContact CD1-CZ2 3.77Å; I77-A128 WeakPolarHBondContact O-CB 3.47Å
78	I	93.2	Very high	90.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-42.5	-173.5	38.1	175.5	0	0	0	113.6	L22 P23 F88 L90 Y115 A128	L22-I78 HydrophobicContact CD2-CD1 4.18Å; L22-I78 HydrophobicContact CD2-CG2 4.01Å; P23-I78 HydrophobicContact CG-CG2 3.97Å; I78-F88 HydrophobicContact CD1-CB 3.84Å; I78-F88 HydrophobicContact CG1-CB 3.67Å; I78-F88 WeakPolarHBondContact CG1-O 3.48Å; I78-F88 PolarHBondContact N-O 3.48Å; I78-L90 HydrophobicContact CD1-CD2 4.4Å; I78-L90 HydrophobicContact CD1-CG 4.39Å; I78-L90 HydrophobicContact CG2-CD1 4.19Å; I78-L90 HydrophobicContact CG2-CG 4.15Å; I78-Y115 HydrophobicContact CD1-CE2 3.99Å; I78-A128 WeakPolarHBondContact O-CB 3.2Å; I78-A128 PolarHBondContact O-N 2.97Å
79	A	95.5	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	161.4	-179.5	0	0	0	0	0	112.8	V20 F88 I125 I126	V20-A79 HydrophobicContact CG1-CB 4.05Å; V20-A79 HydrophobicContact CG2-CB 4.09Å; A79-F88 PolarHBondContact O-N 2.85Å; A79-I125 HydrophobicContact CB-CG2 4.01Å; A79-I126 CarbonylContact C-O 3.6Å; A79-I126 WeakPolarHBondContact CA-O 3.47Å
80	Y	97.2	Very high	92	Very high	30 Å²	30	23.6 Å²	23.6	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.2	166.1	177.6	-100.3	0	0	0	110.2	V33 N82 G85 I86 L87 L103 I125 I126	V33-Y80 HydrophobicContact CB-CD1 4.46Å; V33-Y80 HydrophobicContact CB-CG 4.46Å; V33-Y80 HydrophobicContact CG1-CD1 3.56Å; V33-Y80 HydrophobicContact CG1-CD2 4.02Å; V33-Y80 HydrophobicContact CG1-CE1 3.46Å; V33-Y80 VanDerWaalsContact CG1-CE1 3.46Å; V33-Y80 HydrophobicContact CG1-CE2 3.96Å; V33-Y80 HydrophobicContact CG1-CG 3.82Å; V33-Y80 HydrophobicContact CG2-CD1 4.05Å; V33-Y80 HydrophobicContact CG2-CD2 4.25Å; V33-Y80 HydrophobicContact CG2-CG 3.73Å; Y80-N82 WeakPolarHBondContact CE1-OD1 3.31Å; Y80-G85 WeakPolarHBondContact OH-CA 3.43Å; Y80-I86 CarbonylContact C-O 3.36Å; Y80-I86 WeakPolarHBondContact CA-O 3.29Å; Y80-L87 HydrophobicContact CD2-CB 4.19Å; Y80-L87 HydrophobicContact CD2-CD1 4.34Å; Y80-L103 HydrophobicContact CD2-CD2 4.34Å; Y80-L103 HydrophobicContact CE2-CD2 3.7Å; Y80-I125 CarbonylContact O-C 3.59Å; Y80-I125 WeakPolarHBondContact O-CA 3.4Å; Y80-I126 HydrophobicContact CD1-CD1 4.22Å; Y80-I126 PolarHBondContact N-O 2.88Å; Y80-I126 PolarHBondContact O-N 3.43Å
81	T	96.9	Very high	92.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.6	-172.6	53	0	0	0	0	111.7	G85 I86 F88 L119 S122 I125	T81-G85 WeakPolarHBondContact O-CA 3.13Å; T81-G85 PolarHBondContact O-N 2.67Å; T81-I86 PolarHBondContact N-O 3.49Å; T81-I86 VanDerWaalsContact OG1-CB 3.32Å; T81-I86 WeakPolarHBondContact OG1-CB 3.39Å; T81-I86 PolarHBondContact OG1-N 3.41Å; T81-I86 PolarHBondContact OG1-O 3.07Å; T81-F88 HydrophobicContact CG2-CD2 4.34Å; T81-F88 HydrophobicContact CG2-CE2 4.08Å; T81-L119 HydrophobicContact CG2-CD2 3.83Å; T81-S122 WeakPolarHBondContact CB-OG 3.36Å; T81-I125 HydrophobicContact CG2-CG1 4.42Å
82	N	94.9	Very high	92.3	Very high	45 Å²	45	24.8 Å²	24.8	24%	0.241	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.8	174.4	-84.4	-28.2	0	0	0	110.5	Y80 S122 T123 E124	Y80-N82 WeakPolarHBondContact CE1-OD1 3.31Å; N82-S122 PolarHBondContact N-OG 2.91Å; N82-S122 PolarHBondContact O-OG 2.72Å; N82-T123 PolarHBondContact O-N 2.71Å; N82-T123 PolarHBondContact O-OG1 2.78Å; N82-T123 VanDerWaalsContact O-OG1 3.05Å; N82-E124 HydrophobicContact CB-CB 4Å; N82-E124 PolarHBondContact N-O 3.24Å; N82-E124 PolarHBondContact ND2-OE2 2.89Å; N82-E124 PolarHBondContact O-N 2.74Å; N82-E124 VanDerWaalsContact O-N 3.15Å
83	P	95.6	Very high	92.2	Very high	101 Å²	101	28.2 Å²	28.2	66%	0.656	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.4	7	1.4	37.4	-37.7	0	0	0	113.5	G85 T123	P83-G85 PolarHBondContact O-N 2.93Å; P83-G85 VanDerWaalsContact O-N 3.14Å; P83-T123 WeakPolarHBondContact CD-OG1 3.06Å
84	L	96.4	Very high	91.5	Very high	79 Å²	79	26.5 Å²	26.5	41%	0.414	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.8	-172.2	-61.1	178.8	0	0	0	113.4	I86 T118	L84-I86 HydrophobicContact CB-CD1 4.18Å; L84-I86 HydrophobicContact CB-CG1 4.25Å; L84-I86 PolarHBondContact O-N 3.27Å; L84-T118 HydrophobicContact CD1-CG2 3.65Å
85	G	96.6	Very high	91.1	Very high	19 Å²	19	27.6 Å²	27.6	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	23.9	178.4	0	0	0	0	0	113.2	Y80 T81 P83	Y80-G85 WeakPolarHBondContact OH-CA 3.43Å; T81-G85 WeakPolarHBondContact O-CA 3.13Å; T81-G85 PolarHBondContact O-N 2.67Å; P83-G85 PolarHBondContact O-N 2.93Å; P83-G85 VanDerWaalsContact O-N 3.14Å
86	I	97.4	Very high	91.1	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.7	-176.3	-63.7	170.4	0	0	0	109.7	Y80 T81 L84 F88 M99 S100 K101 T118	Y80-I86 CarbonylContact C-O 3.36Å; Y80-I86 WeakPolarHBondContact CA-O 3.29Å; T81-I86 PolarHBondContact N-O 3.49Å; T81-I86 VanDerWaalsContact OG1-CB 3.32Å; T81-I86 WeakPolarHBondContact OG1-CB 3.39Å; T81-I86 PolarHBondContact OG1-N 3.41Å; T81-I86 PolarHBondContact OG1-O 3.07Å; L84-I86 HydrophobicContact CB-CD1 4.18Å; L84-I86 HydrophobicContact CB-CG1 4.25Å; L84-I86 PolarHBondContact O-N 3.27Å; I86-F88 HydrophobicContact CB-CE2 4.5Å; I86-F88 HydrophobicContact CG2-CD1 4.4Å; I86-F88 HydrophobicContact CG2-CD2 4.13Å; I86-F88 HydrophobicContact CG2-CE1 4.04Å; I86-F88 HydrophobicContact CG2-CE2 3.76Å; I86-F88 HydrophobicContact CG2-CG 4.44Å; I86-F88 HydrophobicContact CG2-CZ 3.71Å; I86-M99 HydrophobicContact CD1-SD 4.25Å; I86-M99 HydrophobicContact CG2-CB 3.74Å; I86-M99 HydrophobicContact CG2-CG 4.26Å; I86-M99 HydrophobicContact CG2-SD 3.91Å; I86-S100 WeakPolarHBondContact CA-O 3.33Å; I86-K101 HydrophobicContact CG1-CG 4.22Å; I86-T118 HydrophobicContact CB-CG2 4.32Å; I86-T118 HydrophobicContact CD1-CG2 3.57Å; I86-T118 HydrophobicContact CG2-CG2 4.47Å
87	L	96.6	Very high	91.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.7	170.2	-176.6	70	0	0	0	109.1	L31 F38 I77 Y80 M99 S100 W107	L31-L87 HydrophobicContact CD2-CD1 3.54Å; F38-L87 HydrophobicContact CD1-CD2 3.97Å; F38-L87 HydrophobicContact CE1-CD2 3.45Å; F38-L87 VanDerWaalsContact CE1-CD2 3.45Å; F38-L87 HydrophobicContact CE2-CD1 4.46Å; F38-L87 HydrophobicContact CE2-CD2 4.36Å; F38-L87 HydrophobicContact CZ-CD2 3.69Å; I77-L87 HydrophobicContact CD1-CD2 3.96Å; I77-L87 HydrophobicContact CD1-CG 4.19Å; I77-L87 HydrophobicContact CG2-CD1 3.86Å; Y80-L87 HydrophobicContact CD2-CB 4.19Å; Y80-L87 HydrophobicContact CD2-CD1 4.34Å; L87-M99 CarbonylContact O-C 3.55Å; L87-M99 VanDerWaalsContact O-CA 3.26Å; L87-M99 WeakPolarHBondContact O-CA 3.46Å; L87-S100 PolarHBondContact N-O 3.48Å; L87-S100 PolarHBondContact O-N 3.21Å; L87-W107 HydrophobicContact CD2-CH2 3.7Å; L87-W107 HydrophobicContact CD2-CZ2 4.01Å; L87-W107 HydrophobicContact CG-CH2 3.92Å
88	F	95.9	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.7	177	-75.7	-68.4	0	0	0	111.8	I78 A79 T81 I86 I98 M99 V110 Y115 T118 L119	I78-F88 HydrophobicContact CD1-CB 3.84Å; I78-F88 HydrophobicContact CG1-CB 3.67Å; I78-F88 WeakPolarHBondContact CG1-O 3.48Å; I78-F88 PolarHBondContact N-O 3.48Å; A79-F88 PolarHBondContact O-N 2.85Å; T81-F88 HydrophobicContact CG2-CD2 4.34Å; T81-F88 HydrophobicContact CG2-CE2 4.08Å; I86-F88 HydrophobicContact CB-CE2 4.5Å; I86-F88 HydrophobicContact CG2-CD1 4.4Å; I86-F88 HydrophobicContact CG2-CD2 4.13Å; I86-F88 HydrophobicContact CG2-CE1 4.04Å; I86-F88 HydrophobicContact CG2-CE2 3.76Å; I86-F88 HydrophobicContact CG2-CG 4.44Å; I86-F88 HydrophobicContact CG2-CZ 3.71Å; F88-I98 WeakPolarHBondContact CA-O 3.46Å; F88-M99 HydrophobicContact CD1-CB 3.62Å; F88-M99 HydrophobicContact CE1-CB 3.52Å; F88-M99 HydrophobicContact CE1-CG 4.43Å; F88-M99 HydrophobicContact CE1-SD 4.22Å; F88-M99 HydrophobicContact CZ-CB 4.43Å; F88-V110 HydrophobicContact CE1-CG2 4.26Å; F88-Y115 HydrophobicContact CB-CE2 4.13Å; F88-Y115 AromaticContact CD1-CD2 3.56Å; F88-Y115 HydrophobicContact CD1-CD2 3.56Å; F88-Y115 AromaticContact CD1-CE2 3.85Å; F88-Y115 HydrophobicContact CD1-CE2 3.85Å; F88-Y115 HydrophobicContact CD2-CD2 4.29Å; F88-Y115 HydrophobicContact CD2-CE2 4.07Å; F88-Y115 AromaticContact CE1-CD2 3.56Å; F88-Y115 HydrophobicContact CE1-CD2 3.56Å; F88-Y115 HydrophobicContact CE1-CE2 4.24Å; F88-Y115 HydrophobicContact CE2-CD2 4.28Å; F88-Y115 HydrophobicContact CE2-CE2 4.43Å; F88-Y115 AromaticContact CG-CD2 3.94Å; F88-Y115 HydrophobicContact CG-CD2 3.94Å; F88-Y115 AromaticContact CG-CE2 3.76Å; F88-Y115 HydrophobicContact CG-CE2 3.76Å; F88-Y115 AromaticContact CZ-CD2 3.93Å; F88-Y115 HydrophobicContact CZ-CD2 3.93Å; F88-T118 HydrophobicContact CE2-CG2 3.69Å; F88-T118 HydrophobicContact CZ-CG2 3.64Å; F88-L119 HydrophobicContact CD2-CD2 4.21Å; F88-L119 HydrophobicContact CE2-CD2 4.06Å
89	G	93.3	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	170.4	174.7	0	0	0	0	0	112.1	Q76 I98	Q76-G89 CarbonylContact O-C 3.49Å; Q76-G89 WeakPolarHBondContact O-CA 3.12Å; G89-I98 PolarHBondContact N-O 2.81Å; G89-I98 WeakPolarHBondContact O-CG1 3.41Å; G89-I98 PolarHBondContact O-N 2.94Å
90	L	91	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.7	166.7	-67.3	169.2	0	0	0	109.2	Y12 M15 E75 Q76 I78	Y12-L90 HydrophobicContact CD2-CD2 4.32Å; Y12-L90 HydrophobicContact CE2-CD1 3.69Å; Y12-L90 HydrophobicContact CE2-CD2 3.84Å; Y12-L90 HydrophobicContact CE2-CG 4.43Å; M15-L90 HydrophobicContact CE-CD2 3.54Å; M15-L90 HydrophobicContact SD-CD2 4.26Å; E75-L90 PolarHBondContact N-O 3.25Å; Q76-L90 HydrophobicContact CB-CB 4.17Å; Q76-L90 HydrophobicContact CB-CD1 4.08Å; Q76-L90 HydrophobicContact CB-CG 4.46Å; Q76-L90 PolarHBondContact O-N 3.08Å; Q76-L90 VanDerWaalsContact OE1-CD1 3.3Å; I78-L90 HydrophobicContact CD1-CD2 4.4Å; I78-L90 HydrophobicContact CD1-CG 4.39Å; I78-L90 HydrophobicContact CG2-CD1 4.19Å; I78-L90 HydrophobicContact CG2-CG 4.15Å
91	G	89.5	Confident	91.4	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.3	175.8	0	0	0	0	0	112.2	R25 S73 G95 G96	R25-G91 PolarHBondContact NH1-O 2.91Å; R25-G91 VanDerWaalsContact NH1-O 3.08Å; S73-G91 WeakPolarHBondContact O-CA 3.25Å; G91-G95 PolarHBondContact O-N 2.99Å; G91-G95 VanDerWaalsContact O-N 3.17Å; G91-G96 PolarHBondContact N-O 3.08Å
92	S	84.3	Confident	91.3	Very high	44 Å²	44	36.9 Å²	36.9	31%	0.308	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	154.9	175.5	40.3	0	0	0	0	113.2	P72 S73 G94 G95	P72-S92 WeakPolarHBondContact O-CB 3.34Å; P72-S92 PolarHBondContact O-OG 3.26Å; S73-S92 PolarHBondContact O-N 2.8Å; S73-S92 PolarHBondContact O-OG 3.11Å; S92-G94 PolarHBondContact O-N 2.91Å; S92-G95 PolarHBondContact O-N 2.9Å
93	N	76.8	Confident	91.2	Very high	165 Å²	165	37.4 Å²	37.4	88%	0.882	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.6	176.5	-57.8	-35	0	0	0	114.7	G95	N93-G95 VanDerWaalsContact C-N 3.32Å
94	G	72.1	Confident	91	Very high	25 Å²	25	32.7 Å²	32.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	16.2	-176.9	0	0	0	0	0	113.3	H11 R25 S92	H11-G94 PolarHBondContact CE1-O 2.79Å; H11-G94 PolarHBondContact NE2-O 3.12Å; R25-G94 VanDerWaalsContact NH1-CA 3.25Å; R25-G94 PolarHBondContact NH2-O 2.71Å; S92-G94 PolarHBondContact O-N 2.91Å
95	G	80.1	Confident	90.8	Very high	24 Å²	24	34.2 Å²	34.2	25%	0.247	20%	0.203	C	C	.	.			trans	-67.6	153.8	176.2	0	0	0	0	0	113	R25 G91 S92 N93	R25-G95 PolarHBondContact NH2-O 2.75Å; G91-G95 PolarHBondContact O-N 2.99Å; G91-G95 VanDerWaalsContact O-N 3.17Å; S92-G95 PolarHBondContact O-N 2.9Å; N93-G95 VanDerWaalsContact C-N 3.32Å
96	G	87.6	Confident	90.7	Very high	26 Å²	26	37.3 Å²	37.3	27%	0.268	22%	0.218	S	C	.	.			trans	-73.7	-157.9	178.1	0	0	0	0	0	114.1	G91 I98	G91-G96 PolarHBondContact N-O 3.08Å; G96-I98 PolarHBondContact O-N 3.01Å
97	A	91.7	Very high	90.5	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.8	175.6	0	0	0	0	0	110.7	M15 V110 Y115	M15-A97 HydrophobicContact CG-CB 4.28Å; M15-A97 VanDerWaalsContact SD-CA 3.54Å; M15-A97 HydrophobicContact SD-CB 3.32Å; M15-A97 WeakPolarHBondContact SD-CB 3.44Å; M15-A97 PolarHBondContact SD-N 2.91Å; A97-V110 HydrophobicContact CB-CG2 3.65Å; A97-V110 PolarHBondContact O-N 3.17Å; A97-Y115 HydrophobicContact CB-CD2 3.98Å; A97-Y115 HydrophobicContact CB-CG 4.33Å
98	I	94	Very high	90.4	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.8	164.9	58.4	172	0	0	0	108.4	V74 F88 G89 G96 W107 I108	V74-I98 HydrophobicContact CB-CD1 3.66Å; V74-I98 HydrophobicContact CG2-CD1 3.92Å; F88-I98 WeakPolarHBondContact CA-O 3.46Å; G89-I98 PolarHBondContact N-O 2.81Å; G89-I98 WeakPolarHBondContact O-CG1 3.41Å; G89-I98 PolarHBondContact O-N 2.94Å; G96-I98 PolarHBondContact O-N 3.01Å; I98-W107 HydrophobicContact CB-CE3 3.97Å; I98-W107 HydrophobicContact CD1-CB 4.35Å; I98-W107 HydrophobicContact CD1-CD2 3.79Å; I98-W107 HydrophobicContact CD1-CE3 3.49Å; I98-W107 VanDerWaalsContact CD1-CE3 3.49Å; I98-W107 HydrophobicContact CD1-CG 4.16Å; I98-W107 HydrophobicContact CD1-CZ3 4.06Å; I98-W107 HydrophobicContact CG1-CD2 4.35Å; I98-W107 HydrophobicContact CG1-CE3 3.56Å; I98-W107 HydrophobicContact CG1-CZ3 3.92Å; I98-I108 CarbonylContact C-O 3.46Å; I98-I108 VanDerWaalsContact CA-O 3.27Å; I98-I108 WeakPolarHBondContact CA-O 3.39Å
99	M	95.8	Very high	90.3	Very high	15 Å²	15	48 Å²	48	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.6	176.3	79.7	174.6	-179.4	0	0	112.1	I86 L87 F88 W107 I108 V110	I86-M99 HydrophobicContact CD1-SD 4.25Å; I86-M99 HydrophobicContact CG2-CB 3.74Å; I86-M99 HydrophobicContact CG2-CG 4.26Å; I86-M99 HydrophobicContact CG2-SD 3.91Å; L87-M99 CarbonylContact O-C 3.55Å; L87-M99 VanDerWaalsContact O-CA 3.26Å; L87-M99 WeakPolarHBondContact O-CA 3.46Å; F88-M99 HydrophobicContact CD1-CB 3.62Å; F88-M99 HydrophobicContact CE1-CB 3.52Å; F88-M99 HydrophobicContact CE1-CG 4.43Å; F88-M99 HydrophobicContact CE1-SD 4.22Å; F88-M99 HydrophobicContact CZ-CB 4.43Å; M99-W107 WeakPolarHBondContact O-CA 3.48Å; M99-I108 HydrophobicContact CE-CD1 3.48Å; M99-I108 VanDerWaalsContact CE-CD1 3.48Å; M99-I108 HydrophobicContact CE-CG1 4.12Å; M99-I108 HydrophobicContact CG-CD1 4.23Å; M99-I108 HydrophobicContact CG-CG1 3.81Å; M99-I108 PolarHBondContact N-O 2.85Å; M99-I108 PolarHBondContact O-N 3.47Å; M99-V110 HydrophobicContact CB-CG1 4.5Å; M99-V110 HydrophobicContact CE-CG1 3.83Å; M99-V110 HydrophobicContact CG-CG1 3.74Å; M99-V110 HydrophobicContact SD-CG1 3.79Å
100	S	96.8	Very high	90.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.4	173.8	168.6	0	0	0	0	109.2	I86 L87 D102 L103 G104 T106	I86-S100 WeakPolarHBondContact CA-O 3.33Å; L87-S100 PolarHBondContact N-O 3.48Å; L87-S100 PolarHBondContact O-N 3.21Å; S100-D102 PolarHBondContact OG-N 3.27Å; S100-D102 PolarHBondContact OG-OD1 2.82Å; S100-L103 PolarHBondContact OG-N 3.07Å; S100-G104 WeakPolarHBondContact OG-CA 3.19Å; S100-G104 PolarHBondContact OG-N 2.95Å; S100-T106 WeakPolarHBondContact CA-O 3.34Å; S100-T106 WeakPolarHBondContact CB-O 3.14Å; S100-T106 PolarHBondContact OG-O 2.83Å; S100-T106 VanDerWaalsContact OG-O 3.07Å
101	K	96.1	Very high	90.3	Very high	151 Å²	151	53.8 Å²	53.8	66%	0.657	31%	0.312	S	S	*	.	S	Bend	trans	-104.3	2.5	173.7	-66.9	-175.8	175.9	-177.1	0	112.7	I86	I86-K101 HydrophobicContact CG1-CG 4.22Å
102	D	94.6	Very high	90.3	Very high	50 Å²	50	55.7 Å²	55.7	27%	0.267	33%	0.325	S	S	.	.	S	Bend	trans	-132.6	31.7	-172.7	61.2	7.2	0	0	0	111.5	S100 G104 N105 T106	S100-D102 PolarHBondContact OG-N 3.27Å; S100-D102 PolarHBondContact OG-OD1 2.82Å; D102-G104 VanDerWaalsContact C-N 3.33Å; D102-G104 PolarHBondContact O-N 2.84Å; D102-N105 HydrophobicContact CB-CB 4.35Å; D102-N105 PolarHBondContact O-N 2.78Å; D102-N105 PolarHBondContact O-ND2 2.88Å; D102-N105 PolarHBondContact OD1-N 2.89Å; D102-N105 VanDerWaalsContact OD1-N 3.08Å; D102-N105 WeakPolarHBondContact OD2-CB 3.21Å; D102-T106 VanDerWaalsContact CG-OG1 3.32Å; D102-T106 PolarHBondContact OD1-N 3.24Å; D102-T106 PolarHBondContact OD1-OG1 3.44Å; D102-T106 WeakPolarHBondContact OD2-CB 3.47Å; D102-T106 WeakPolarHBondContact OD2-CG2 3.44Å; D102-T106 PolarHBondContact OD2-N 2.94Å; D102-T106 VanDerWaalsContact OD2-N 3.12Å; D102-T106 PolarHBondContact OD2-OG1 2.82Å
103	L	92.7	Very high	90.7	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.293	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	47	175.2	-61.3	169.4	0	0	0	112.6	V33 L36 F38 K58 Y80 S100	V33-L103 HydrophobicContact CG1-CD2 4.35Å; L36-L103 HydrophobicContact CD1-CB 4.12Å; L36-L103 HydrophobicContact CD1-CD1 3.85Å; L36-L103 HydrophobicContact CD1-CG 4.41Å; F38-L103 HydrophobicContact CZ-CB 4.33Å; K58-L103 WeakPolarHBondContact CD-O 3.41Å; K58-L103 PolarHBondContact NZ-O 2.79Å; Y80-L103 HydrophobicContact CD2-CD2 4.34Å; Y80-L103 HydrophobicContact CE2-CD2 3.7Å; S100-L103 PolarHBondContact OG-N 3.07Å
104	G	92.6	Very high	91.6	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.031	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	12.4	171.7	0	0	0	0	0	115.6	S100 D102 W107	S100-G104 WeakPolarHBondContact OG-CA 3.19Å; S100-G104 PolarHBondContact OG-N 2.95Å; D102-G104 VanDerWaalsContact C-N 3.33Å; D102-G104 PolarHBondContact O-N 2.84Å; G104-W107 PolarHBondContact O-NE1 2.7Å
105	N	90.9	Very high	92.6	Very high	110 Å²	110	53.6 Å²	53.6	59%	0.588	30%	0.299	S	S	*	.	S	Bend	trans	-76.6	-39.6	173.6	-64.2	-28.7	0	0	0	111.2	K58 D102	K58-N105 PolarHBondContact NZ-OD1 3.34Å; D102-N105 HydrophobicContact CB-CB 4.35Å; D102-N105 PolarHBondContact O-N 2.78Å; D102-N105 PolarHBondContact O-ND2 2.88Å; D102-N105 PolarHBondContact OD1-N 2.89Å; D102-N105 VanDerWaalsContact OD1-N 3.08Å; D102-N105 WeakPolarHBondContact OD2-CB 3.21Å
106	T	93.9	Very high	93.3	Very high	84 Å²	84	55.8 Å²	55.8	52%	0.515	30%	0.303	S	S	.	.	S	Bend	trans	-131.5	151.1	175.9	66.6	0	0	0	0	111.5	S100 D102	S100-T106 WeakPolarHBondContact CA-O 3.34Å; S100-T106 WeakPolarHBondContact CB-O 3.14Å; S100-T106 PolarHBondContact OG-O 2.83Å; S100-T106 VanDerWaalsContact OG-O 3.07Å; D102-T106 VanDerWaalsContact CG-OG1 3.32Å; D102-T106 PolarHBondContact OD1-N 3.24Å; D102-T106 PolarHBondContact OD1-OG1 3.44Å; D102-T106 WeakPolarHBondContact OD2-CB 3.47Å; D102-T106 WeakPolarHBondContact OD2-CG2 3.44Å; D102-T106 PolarHBondContact OD2-N 2.94Å; D102-T106 VanDerWaalsContact OD2-N 3.12Å; D102-T106 PolarHBondContact OD2-OG1 2.82Å
107	W	94.6	Very high	93.6	Very high	39 Å²	39	60.3 Å²	60.3	15%	0.148	32%	0.316	C	S	.	.			trans	-131.6	138	-175.9	-66.7	93.9	0	0	0	110.6	V70 V74 I77 L87 I98 M99 G104	V70-W107 HydrophobicContact CG1-CZ2 3.44Å; V70-W107 VanDerWaalsContact CG1-CZ2 3.44Å; V70-W107 PolarHBondContact O-NE1 2.89Å; V70-W107 VanDerWaalsContact O-NE1 3.15Å; V74-W107 HydrophobicContact CB-CZ2 4.35Å; V74-W107 HydrophobicContact CG1-CZ2 4.38Å; V74-W107 HydrophobicContact CG2-CH2 4.36Å; V74-W107 HydrophobicContact CG2-CZ2 4.29Å; I77-W107 HydrophobicContact CD1-CH2 3.42Å; I77-W107 VanDerWaalsContact CD1-CH2 3.42Å; I77-W107 HydrophobicContact CD1-CZ2 3.77Å; L87-W107 HydrophobicContact CD2-CH2 3.7Å; L87-W107 HydrophobicContact CD2-CZ2 4.01Å; L87-W107 HydrophobicContact CG-CH2 3.92Å; I98-W107 HydrophobicContact CB-CE3 3.97Å; I98-W107 HydrophobicContact CD1-CB 4.35Å; I98-W107 HydrophobicContact CD1-CD2 3.79Å; I98-W107 HydrophobicContact CD1-CE3 3.49Å; I98-W107 VanDerWaalsContact CD1-CE3 3.49Å; I98-W107 HydrophobicContact CD1-CG 4.16Å; I98-W107 HydrophobicContact CD1-CZ3 4.06Å; I98-W107 HydrophobicContact CG1-CD2 4.35Å; I98-W107 HydrophobicContact CG1-CE3 3.56Å; I98-W107 HydrophobicContact CG1-CZ3 3.92Å; M99-W107 WeakPolarHBondContact O-CA 3.48Å; G104-W107 PolarHBondContact O-NE1 2.7Å
108	I	94.3	Very high	93.8	Very high	91 Å²	91	61 Å²	61	47%	0.467	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.5	171.1	56.1	168.7	0	0	0	110.4	I98 M99	I98-I108 CarbonylContact C-O 3.46Å; I98-I108 VanDerWaalsContact CA-O 3.27Å; I98-I108 WeakPolarHBondContact CA-O 3.39Å; M99-I108 HydrophobicContact CE-CD1 3.48Å; M99-I108 VanDerWaalsContact CE-CD1 3.48Å; M99-I108 HydrophobicContact CE-CG1 4.12Å; M99-I108 HydrophobicContact CG-CD1 4.23Å; M99-I108 HydrophobicContact CG-CG1 3.81Å; M99-I108 PolarHBondContact N-O 2.85Å; M99-I108 PolarHBondContact O-N 3.47Å
109	S	93.2	Very high	93.8	Very high	108 Å²	108	60.7 Å²	60.7	76%	0.755	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.2	173	-58.5	0	0	0	0	110.6
110	V	93.6	Very high	93.8	Very high	25 Å²	25	64.7 Å²	64.7	15%	0.152	34%	0.339	C	S	.	.			trans	-130	152.6	177.8	-64.4	0	0	0	0	110.5	F88 A97 M99 V114	F88-V110 HydrophobicContact CE1-CG2 4.26Å; A97-V110 HydrophobicContact CB-CG2 3.65Å; A97-V110 PolarHBondContact O-N 3.17Å; M99-V110 HydrophobicContact CB-CG1 4.5Å; M99-V110 HydrophobicContact CE-CG1 3.83Å; M99-V110 HydrophobicContact CG-CG1 3.74Å; M99-V110 HydrophobicContact SD-CG1 3.79Å; V110-V114 HydrophobicContact CB-CB 4.16Å; V110-V114 HydrophobicContact CB-CG1 4.03Å; V110-V114 HydrophobicContact CG1-CG1 3.95Å
111	N	91.7	Very high	93.7	Very high	97 Å²	97	68.9 Å²	68.9	52%	0.519	37%	0.365	S	S	.	.			trans	-82.8	168.5	172.5	65.3	26.8	0	0	0	111.2	F113 V114 Y115	N111-F113 PolarHBondContact O-N 3.08Å; N111-F113 PolarHBondContact OD1-N 3.24Å; N111-V114 PolarHBondContact O-N 3.07Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.38Å; N111-V114 PolarHBondContact OD1-N 3.41Å; N111-Y115 PolarHBondContact O-N 2.74Å
112	S	89.9	Confident	93.7	Very high	46 Å²	46	62.6 Å²	62.6	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-35.1	179.8	52.3	0	0	0	0	113	A14 Y115 Q116	A14-S112 VanDerWaalsContact O-CB 3.28Å; A14-S112 WeakPolarHBondContact O-CB 3.44Å; S112-Y115 PolarHBondContact O-N 3.45Å; S112-Q116 WeakPolarHBondContact O-CB 2.8Å; S112-Q116 WeakPolarHBondContact O-CG 3.3Å; S112-Q116 PolarHBondContact O-N 3.12Å
113	F	92.2	Very high	93.7	Very high	137 Å²	137	66 Å²	66	60%	0.601	36%	0.363	S	S	*	.	H	α-helix	trans	-62	-49.8	177.7	176.1	-96.9	0	0	0	111.9	N111 Y115 Q116 K117	N111-F113 PolarHBondContact O-N 3.08Å; N111-F113 PolarHBondContact OD1-N 3.24Å; F113-Y115 VanDerWaalsContact C-N 3.33Å; F113-Y115 PolarHBondContact O-N 3.25Å; F113-Q116 PolarHBondContact O-N 2.66Å; F113-K117 HydrophobicContact CE1-CD 4.11Å; F113-K117 HydrophobicContact CZ-CD 4.16Å; F113-K117 WeakPolarHBondContact O-CB 3.45Å; F113-K117 PolarHBondContact O-N 3.05Å
114	V	94.6	Very high	93.8	Very high	52 Å²	52	68.2 Å²	68.2	32%	0.315	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.1	172	0	0	0	0	110.6	V110 N111 T118	V110-V114 HydrophobicContact CB-CB 4.16Å; V110-V114 HydrophobicContact CB-CG1 4.03Å; V110-V114 HydrophobicContact CG1-CG1 3.95Å; N111-V114 PolarHBondContact O-N 3.07Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.38Å; N111-V114 PolarHBondContact OD1-N 3.41Å; V114-T118 WeakPolarHBondContact O-CB 3.42Å; V114-T118 PolarHBondContact O-N 3.42Å; V114-T118 PolarHBondContact O-OG1 2.84Å
115	Y	94.7	Very high	93.9	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-57.2	-56.9	175.6	177.2	-99.8	0	0	0	111.7	M15 I78 F88 A97 N111 S112 F113 K117 T118 L119	M15-Y115 HydrophobicContact CB-CD1 4.36Å; M15-Y115 HydrophobicContact CB-CE1 4.22Å; M15-Y115 HydrophobicContact CG-CD1 4.37Å; M15-Y115 VanDerWaalsContact O-CE1 3.25Å; M15-Y115 WeakPolarHBondContact O-CE1 3.32Å; I78-Y115 HydrophobicContact CD1-CE2 3.99Å; F88-Y115 HydrophobicContact CB-CE2 4.13Å; F88-Y115 AromaticContact CD1-CD2 3.56Å; F88-Y115 HydrophobicContact CD1-CD2 3.56Å; F88-Y115 AromaticContact CD1-CE2 3.85Å; F88-Y115 HydrophobicContact CD1-CE2 3.85Å; F88-Y115 HydrophobicContact CD2-CD2 4.29Å; F88-Y115 HydrophobicContact CD2-CE2 4.07Å; F88-Y115 AromaticContact CE1-CD2 3.56Å; F88-Y115 HydrophobicContact CE1-CD2 3.56Å; F88-Y115 HydrophobicContact CE1-CE2 4.24Å; F88-Y115 HydrophobicContact CE2-CD2 4.28Å; F88-Y115 HydrophobicContact CE2-CE2 4.43Å; F88-Y115 AromaticContact CG-CD2 3.94Å; F88-Y115 HydrophobicContact CG-CD2 3.94Å; F88-Y115 AromaticContact CG-CE2 3.76Å; F88-Y115 HydrophobicContact CG-CE2 3.76Å; F88-Y115 AromaticContact CZ-CD2 3.93Å; F88-Y115 HydrophobicContact CZ-CD2 3.93Å; A97-Y115 HydrophobicContact CB-CD2 3.98Å; A97-Y115 HydrophobicContact CB-CG 4.33Å; N111-Y115 PolarHBondContact O-N 2.74Å; S112-Y115 PolarHBondContact O-N 3.45Å; F113-Y115 VanDerWaalsContact C-N 3.33Å; F113-Y115 PolarHBondContact O-N 3.25Å; Y115-K117 PolarHBondContact O-N 3.12Å; Y115-T118 WeakPolarHBondContact O-CB 3.26Å; Y115-T118 PolarHBondContact O-N 3.31Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CE1-CD1 3.43Å; Y115-L119 VanDerWaalsContact CE1-CD1 3.43Å; Y115-L119 HydrophobicContact CE1-CG 4.37Å; Y115-L119 HydrophobicContact CE2-CD1 4.22Å; Y115-L119 PolarHBondContact O-N 3.36Å
116	Q	93.4	Very high	94.1	Very high	70 Å²	70	67.2 Å²	67.2	33%	0.327	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-42	-177.8	-70.5	-164.4	24.5	0	0	112.5	A14 S112 F113 T118 L119 N120	A14-Q116 PolarHBondContact O-NE2 3.15Å; A14-Q116 VanDerWaalsContact O-NE2 3.13Å; S112-Q116 WeakPolarHBondContact O-CB 2.8Å; S112-Q116 WeakPolarHBondContact O-CG 3.3Å; S112-Q116 PolarHBondContact O-N 3.12Å; F113-Q116 PolarHBondContact O-N 2.66Å; Q116-T118 VanDerWaalsContact C-N 3.27Å; Q116-T118 PolarHBondContact O-N 3Å; Q116-L119 PolarHBondContact O-N 2.9Å; Q116-N120 WeakPolarHBondContact O-CB 3.28Å; Q116-N120 PolarHBondContact O-N 3.33Å; Q116-N120 PolarHBondContact O-ND2 2.72Å
117	K	94.8	Very high	94.1	Very high	122 Å²	122	66.1 Å²	66.1	53%	0.53	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-44.6	175.9	-176.7	176.4	-179.2	179.1	0	110.5	F113 Y115 N120 T121	F113-K117 HydrophobicContact CE1-CD 4.11Å; F113-K117 HydrophobicContact CZ-CD 4.16Å; F113-K117 WeakPolarHBondContact O-CB 3.45Å; F113-K117 PolarHBondContact O-N 3.05Å; Y115-K117 PolarHBondContact O-N 3.12Å; K117-N120 PolarHBondContact O-N 2.75Å; K117-T121 WeakPolarHBondContact O-CB 3.44Å; K117-T121 PolarHBondContact O-N 3.16Å; K117-T121 PolarHBondContact O-OG1 3.28Å
118	T	95.4	Very high	93.9	Very high	17 Å²	17	65.2 Å²	65.2	10%	0.104	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-47.9	179.3	-56.3	0	0	0	0	111.3	L84 I86 F88 V114 Y115 Q116 T121 S122	L84-T118 HydrophobicContact CD1-CG2 3.65Å; I86-T118 HydrophobicContact CB-CG2 4.32Å; I86-T118 HydrophobicContact CD1-CG2 3.57Å; I86-T118 HydrophobicContact CG2-CG2 4.47Å; F88-T118 HydrophobicContact CE2-CG2 3.69Å; F88-T118 HydrophobicContact CZ-CG2 3.64Å; V114-T118 WeakPolarHBondContact O-CB 3.42Å; V114-T118 PolarHBondContact O-N 3.42Å; V114-T118 PolarHBondContact O-OG1 2.84Å; Y115-T118 WeakPolarHBondContact O-CB 3.26Å; Y115-T118 PolarHBondContact O-N 3.31Å; Q116-T118 VanDerWaalsContact C-N 3.27Å; Q116-T118 PolarHBondContact O-N 3Å; T118-T121 PolarHBondContact O-N 3.3Å; T118-S122 PolarHBondContact O-N 2.96Å; T118-S122 VanDerWaalsContact O-N 3.15Å
119	L	95	Very high	93.5	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-48.1	177.2	-65.6	-176.9	0	0	0	112	N17 V20 T81 F88 Y115 Q116 T121 S122 I125	N17-L119 HydrophobicContact CB-CD1 4.01Å; V20-L119 HydrophobicContact CB-CD1 4.26Å; V20-L119 HydrophobicContact CG2-CD1 3.73Å; V20-L119 HydrophobicContact CG2-CD2 3.9Å; V20-L119 HydrophobicContact CG2-CG 4.46Å; T81-L119 HydrophobicContact CG2-CD2 3.83Å; F88-L119 HydrophobicContact CD2-CD2 4.21Å; F88-L119 HydrophobicContact CE2-CD2 4.06Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CE1-CD1 3.43Å; Y115-L119 VanDerWaalsContact CE1-CD1 3.43Å; Y115-L119 HydrophobicContact CE1-CG 4.37Å; Y115-L119 HydrophobicContact CE2-CD1 4.22Å; Y115-L119 PolarHBondContact O-N 3.36Å; Q116-L119 PolarHBondContact O-N 2.9Å; L119-T121 PolarHBondContact O-N 2.69Å; L119-S122 VanDerWaalsContact O-CB 3.32Å; L119-S122 WeakPolarHBondContact O-CB 3.28Å; L119-S122 PolarHBondContact O-N 2.98Å; L119-S122 VanDerWaalsContact O-N 3.12Å; L119-I125 HydrophobicContact CB-CD1 4.17Å; L119-I125 HydrophobicContact CD2-CD1 4.13Å; L119-I125 HydrophobicContact CD2-CG2 4.31Å
120	N	94	Very high	92.9	Very high	98 Å²	98	61.4 Å²	61.4	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-21.2	-177.3	-66.9	-13.6	0	0	0	113.5	Q116 K117	Q116-N120 WeakPolarHBondContact O-CB 3.28Å; Q116-N120 PolarHBondContact O-N 3.33Å; Q116-N120 PolarHBondContact O-ND2 2.72Å; K117-N120 PolarHBondContact O-N 2.75Å
121	T	94.8	Very high	91.7	Very high	90 Å²	90	60.6 Å²	60.6	55%	0.552	33%	0.332	S	S	*	.	H	α-helix	trans	-93	-11.8	177.2	-36.3	0	0	0	0	112	K117 T118 L119	K117-T121 WeakPolarHBondContact O-CB 3.44Å; K117-T121 PolarHBondContact O-N 3.16Å; K117-T121 PolarHBondContact O-OG1 3.28Å; T118-T121 PolarHBondContact O-N 3.3Å; L119-T121 PolarHBondContact O-N 2.69Å
122	S	95.9	Very high	89.9	Confident	18 Å²	18	59.8 Å²	59.8	13%	0.126	33%	0.332	C	S	.	.			trans	-73.6	140	178.5	-157.8	0	0	0	0	110.4	T81 N82 T118 L119 E124	T81-S122 WeakPolarHBondContact CB-OG 3.36Å; N82-S122 PolarHBondContact N-OG 2.91Å; N82-S122 PolarHBondContact O-OG 2.72Å; T118-S122 PolarHBondContact O-N 2.96Å; T118-S122 VanDerWaalsContact O-N 3.15Å; L119-S122 VanDerWaalsContact O-CB 3.32Å; L119-S122 WeakPolarHBondContact O-CB 3.28Å; L119-S122 PolarHBondContact O-N 2.98Å; L119-S122 VanDerWaalsContact O-N 3.12Å; S122-E124 PolarHBondContact OG-O 2.84Å
123	T	95.3	Very high	88	Confident	122 Å²	122	63.3 Å²	63.3	75%	0.748	34%	0.339	S	S	*	.	S	Bend	trans	-83.7	-27.3	175.3	56.4	0	0	0	0	111.9	N82 P83	N82-T123 PolarHBondContact O-N 2.71Å; N82-T123 PolarHBondContact O-OG1 2.78Å; N82-T123 VanDerWaalsContact O-OG1 3.05Å; P83-T123 WeakPolarHBondContact CD-OG1 3.06Å
124	E	95	Very high	86	Confident	103 Å²	103	58.5 Å²	58.5	48%	0.481	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143	176.4	171.4	-171.5	-151.9	0	0	109.2	N82 S122	N82-E124 HydrophobicContact CB-CB 4Å; N82-E124 PolarHBondContact N-O 3.24Å; N82-E124 PolarHBondContact ND2-OE2 2.89Å; N82-E124 PolarHBondContact O-N 2.74Å; N82-E124 VanDerWaalsContact O-N 3.15Å; S122-E124 PolarHBondContact OG-O 2.84Å
125	I	95.6	Very high	83.4	Confident	41 Å²	41	60.4 Å²	60.4	21%	0.21	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.4	177.8	-56.1	166.5	0	0	0	107.3	F19 V20 A79 Y80 T81 L119 T127	F19-I125 HydrophobicContact CB-CD1 3.73Å; F19-I125 HydrophobicContact CD2-CD1 4.41Å; F19-I125 HydrophobicContact CG-CD1 4.17Å; V20-I125 HydrophobicContact CG2-CG2 3.74Å; A79-I125 HydrophobicContact CB-CG2 4.01Å; Y80-I125 CarbonylContact O-C 3.59Å; Y80-I125 WeakPolarHBondContact O-CA 3.4Å; T81-I125 HydrophobicContact CG2-CG1 4.42Å; L119-I125 HydrophobicContact CB-CD1 4.17Å; L119-I125 HydrophobicContact CD2-CD1 4.13Å; L119-I125 HydrophobicContact CD2-CG2 4.31Å; I125-T127 HydrophobicContact CG2-CG2 4.25Å
126	I	94	Very high	80.7	Confident	50 Å²	50	65.5 Å²	65.5	26%	0.256	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.9	173	-49	177.7	0	0	0	107.1	L31 A79 Y80	L31-I126 HydrophobicContact CD1-CB 4.2Å; L31-I126 HydrophobicContact CD1-CG2 3.68Å; L31-I126 WeakPolarHBondContact CD1-O 3.31Å; A79-I126 CarbonylContact C-O 3.6Å; A79-I126 WeakPolarHBondContact CA-O 3.47Å; Y80-I126 HydrophobicContact CD1-CD1 4.22Å; Y80-I126 PolarHBondContact N-O 2.88Å; Y80-I126 PolarHBondContact O-N 3.43Å
127	T	93.9	Very high	77.8	Confident	62 Å²	62	70 Å²	70	38%	0.38	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.7	-178.8	51.8	0	0	0	0	111.7	F19 V20 L31 I125	F19-T127 WeakPolarHBondContact O-CG2 3.46Å; V20-T127 HydrophobicContact CB-CG2 4.39Å; V20-T127 HydrophobicContact CG1-CG2 4.29Å; V20-T127 HydrophobicContact CG2-CG2 4.08Å; L31-T127 VanDerWaalsContact CD1-C 3.46Å; L31-T127 WeakPolarHBondContact CD1-O 3.48Å; I125-T127 HydrophobicContact CG2-CG2 4.25Å
128	A	91.5	Very high	75	Confident	19 Å²	19	67.3 Å²	67.3	16%	0.157	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-69.1	143.9	173.6	0	0	0	0	0	109.6	F30 L31 I77 I78	F30-A128 CarbonylContact O-C 3.51Å; F30-A128 VanDerWaalsContact O-CA 3.31Å; F30-A128 WeakPolarHBondContact O-CA 3.38Å; L31-A128 HydrophobicContact CB-CB 4.22Å; L31-A128 HydrophobicContact CD1-CB 4.42Å; I77-A128 WeakPolarHBondContact O-CB 3.47Å; I78-A128 WeakPolarHBondContact O-CB 3.2Å; I78-A128 PolarHBondContact O-N 2.97Å
129	S	85.2	Confident	72.4	Confident	54 Å²	54	72.4 Å²	72.4	38%	0.378	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.5	175.1	-69.5	0	0	0	0	110.1	T29 F30	T29-S129 CarbonylContact C-O 3.51Å; T29-S129 VanDerWaalsContact CA-O 3.29Å; T29-S129 WeakPolarHBondContact CA-O 3.4Å; F30-S129 WeakPolarHBondContact CD1-O 3.28Å; F30-S129 VanDerWaalsContact CE1-CB 3.41Å; F30-S129 PolarHBondContact N-O 3.49Å; F30-S129 PolarHBondContact O-N 2.94Å
130	V	80.2	Confident	69.9	Low	66 Å²	66	75.7 Å²	75.7	40%	0.4	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133	175.6	168.7	0	0	0	0	109.8	P23 A27	P23-V130 HydrophobicContact CB-CG2 3.48Å; P23-V130 VanDerWaalsContact CB-CG2 3.48Å; A27-V130 HydrophobicContact CB-CG1 3.68Å; A27-V130 HydrophobicContact CB-CG2 4.2Å
131	M	69.6	Low	67.5	Low	7 Å²	7	75.3 Å²	75.3	3%	0.034	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.4	172.6	-148.2	172	88.1	0	0	109.4	N28 F30 Y39 W133 I134 M151 V159	N28-M131 HydrophobicContact CB-CB 4.08Å; N28-M131 PolarHBondContact O-N 3.49Å; F30-M131 HydrophobicContact CD1-CB 4.44Å; Y39-M131 HydrophobicContact CE2-CE 4.44Å; Y39-M131 HydrophobicContact CE2-SD 4.44Å; M131-W133 PolarHBondContact O-N 3.34Å; M131-I134 HydrophobicContact CE-CD1 3.08Å; M131-I134 HydrophobicContact CE-CG1 3.49Å; M131-I134 VanDerWaalsContact CE-CG1 3.49Å; M131-M151 HydrophobicContact CG-CE 4.47Å; M131-V159 HydrophobicContact CE-CB 4.26Å; M131-V159 HydrophobicContact CE-CG1 3.5Å; M131-V159 VanDerWaalsContact CE-CG1 3.5Å; M131-V159 HydrophobicContact SD-CB 3.58Å; M131-V159 VanDerWaalsContact SD-CB 3.58Å; M131-V159 HydrophobicContact SD-CG1 3.38Å; M131-V159 WeakPolarHBondContact SD-CG1 3.45Å; M131-V159 HydrophobicContact SD-CG2 4.03Å
132	P	52.5	Low	65	Low	80 Å²	80	77.2 Å²	77.2	52%	0.519	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.7	-147.8	-4.9	23.2	0	0	0	116.1
133	W	51.5	Low	62.7	Low	121 Å²	121	81.2 Å²	81.2	46%	0.458	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	23.2	-165	48.4	71.9	0	0	0	118.5	M131 S135 F148 M151	M131-W133 PolarHBondContact O-N 3.34Å; W133-S135 PolarHBondContact O-N 2.95Å; W133-F148 HydrophobicContact CD2-CE1 4.49Å; W133-F148 AromaticContact CE2-CE1 4Å; W133-F148 HydrophobicContact CG-CE1 4.5Å; W133-F148 HydrophobicContact CZ2-CD1 4.44Å; W133-F148 HydrophobicContact CZ2-CE1 4.44Å; W133-F148 AromaticContact NE1-CD1 3.48Å; W133-F148 AromaticContact NE1-CE1 3.71Å; W133-M151 HydrophobicContact CD2-CE 4.49Å; W133-M151 HydrophobicContact CH2-CE 3.94Å; W133-M151 HydrophobicContact CH2-SD 3.66Å; W133-M151 HydrophobicContact CZ2-CE 3.01Å; W133-M151 HydrophobicContact CZ2-CG 4.22Å; W133-M151 HydrophobicContact CZ2-SD 3.3Å; W133-M151 WeakPolarHBondContact CZ2-SD 3.15Å
134	I	49.5	Very low	60.3	Low	35 Å²	35	79.4 Å²	79.4	18%	0.179	46%	0.455	C	S	.	.			trans	-82.1	63.5	164.5	-52.1	-169.9	0	0	0	109.5	M131 F136	M131-I134 HydrophobicContact CE-CD1 3.08Å; M131-I134 HydrophobicContact CE-CG1 3.49Å; M131-I134 VanDerWaalsContact CE-CG1 3.49Å; I134-F136 HydrophobicContact CG2-CD2 3.32Å; I134-F136 HydrophobicContact CG2-CE2 3.06Å; I134-F136 HydrophobicContact CG2-CG 4.34Å; I134-F136 HydrophobicContact CG2-CZ 3.92Å
135	S	40.4	Very low	57.8	Low	93 Å²	93	77.5 Å²	77.5	65%	0.65	45%	0.445	S	S	*	.			trans	-95.8	93.4	159.2	55.4	0	0	0	0	107	W133 I137	W133-S135 PolarHBondContact O-N 2.95Å; S135-I137 PolarHBondContact O-N 2.92Å
136	F	36.7	Very low	55.2	Low	107 Å²	107	82.4 Å²	82.4	47%	0.469	47%	0.467	S	S	.	.			trans	-67.2	96	175.3	-79.2	-83.8	0	0	0	109.8	I134 I140 I161	I134-F136 HydrophobicContact CG2-CD2 3.32Å; I134-F136 HydrophobicContact CG2-CE2 3.06Å; I134-F136 HydrophobicContact CG2-CG 4.34Å; I134-F136 HydrophobicContact CG2-CZ 3.92Å; F136-I140 HydrophobicContact CD1-CD1 4.2Å; F136-I140 HydrophobicContact CE1-CD1 3.76Å; F136-I161 HydrophobicContact CE1-CD1 4.35Å; F136-I161 HydrophobicContact CE1-CG1 3.79Å; F136-I161 HydrophobicContact CZ-CG1 3.84Å; F136-I161 WeakPolarHBondContact CZ-O 3.27Å
137	I	33.7	Very low	53	Low	165 Å²	165	83.3 Å²	83.3	85%	0.846	48%	0.478	S	S	*	.			trans	-134.5	93.6	163.3	-42.5	177.2	0	0	0	106.9	S135	S135-I137 PolarHBondContact O-N 2.92Å
138	G	36.2	Very low	50.7	Low	64 Å²	64	83.8 Å²	83.8	66%	0.66	48%	0.475	S	S	*	.	S	Bend	trans	124	166.2	172.8	0	0	0	0	0	116	I140	G138-I140 PolarHBondContact O-N 2.03Å
139	S	40.4	Very low	48.6	Very low	125 Å²	125	84.2 Å²	84.2	87%	0.874	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-69	122.6	171.7	53.4	0	0	0	0	110.1	D141	S139-D141 PolarHBondContact O-N 2.86Å
140	I	42.6	Very low	46.8	Very low	69 Å²	69	89.3 Å²	89.3	35%	0.354	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-76.2	124.1	-178.9	-62	154.3	0	0	0	109.1	F136 G138 I161	F136-I140 HydrophobicContact CD1-CD1 4.2Å; F136-I140 HydrophobicContact CE1-CD1 3.76Å; G138-I140 PolarHBondContact O-N 2.03Å; I140-I161 HydrophobicContact CD1-CB 4.35Å; I140-I161 HydrophobicContact CD1-CD1 3.26Å; I140-I161 HydrophobicContact CD1-CG1 3.52Å; I140-I161 HydrophobicContact CD1-CG2 3.94Å; I140-I161 HydrophobicContact CG1-CD1 3.64Å; I140-I161 HydrophobicContact CG1-CG1 4.43Å; I140-I161 HydrophobicContact CG2-CD1 4.37Å; I140-I161 HydrophobicContact CG2-CG2 4.34Å
141	D	43.4	Very low	45.4	Very low	90 Å²	90	88.8 Å²	88.8	48%	0.481	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-70	132.1	172.2	-166.1	-35.4	0	0	0	110.2	S139 T143 L144 F145	S139-D141 PolarHBondContact O-N 2.86Å; D141-T143 PolarHBondContact O-N 3.38Å; D141-T143 VanDerWaalsContact O-N 3.17Å; D141-T143 PolarHBondContact OD1-N 2.93Å; D141-T143 PolarHBondContact OD1-OG1 3.15Å; D141-T143 PolarHBondContact OD2-OG1 2.61Å; D141-L144 HydrophobicContact CB-CB 4.48Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 HydrophobicContact CB-CG 4.39Å; D141-L144 WeakPolarHBondContact O-CB 3.42Å; D141-L144 PolarHBondContact O-N 2.83Å; D141-L144 VanDerWaalsContact O-N 3.08Å; D141-F145 PolarHBondContact O-N 2.95Å
142	N	42.2	Very low	44.7	Very low	130 Å²	130	96.9 Å²	96.9	70%	0.695	52%	0.516	S	S	*	.	H	α-helix	trans	-60.9	-23.4	179.2	-75.2	-18	0	0	0	112.9	F145	N142-F145 WeakPolarHBondContact O-CB 3.26Å; N142-F145 PolarHBondContact O-N 2.79Å
143	T	46.9	Very low	44.8	Very low	103 Å²	103	94 Å²	94	63%	0.632	50%	0.497	S	S	*	.	H	α-helix	trans	-74.5	-35	175.3	55.8	0	0	0	0	112.5	D141 F145	D141-T143 PolarHBondContact O-N 3.38Å; D141-T143 VanDerWaalsContact O-N 3.17Å; D141-T143 PolarHBondContact OD1-N 2.93Å; D141-T143 PolarHBondContact OD1-OG1 3.15Å; D141-T143 PolarHBondContact OD2-OG1 2.61Å; T143-F145 PolarHBondContact O-N 3.46Å
144	L	44.5	Very low	45	Very low	83 Å²	83	89.1 Å²	89.1	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-33.6	170.3	-76.3	163.3	0	0	0	110.4	D141 E146 S147 F148	D141-L144 HydrophobicContact CB-CB 4.48Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 HydrophobicContact CB-CG 4.39Å; D141-L144 WeakPolarHBondContact O-CB 3.42Å; D141-L144 PolarHBondContact O-N 2.83Å; D141-L144 VanDerWaalsContact O-N 3.08Å; L144-E146 PolarHBondContact O-N 3.42Å; L144-S147 PolarHBondContact O-N 2.66Å; L144-S147 VanDerWaalsContact O-N 3.15Å; L144-S147 PolarHBondContact O-OG 2.81Å; L144-F148 HydrophobicContact CB-CD2 3.88Å; L144-F148 HydrophobicContact CB-CE2 3.88Å; L144-F148 HydrophobicContact CD2-CD2 4.25Å; L144-F148 HydrophobicContact CD2-CE2 3.48Å; L144-F148 VanDerWaalsContact CD2-CE2 3.48Å; L144-F148 HydrophobicContact CD2-CZ 4.3Å; L144-F148 HydrophobicContact CG-CE2 4.18Å; L144-F148 WeakPolarHBondContact O-CD2 3.16Å; L144-F148 PolarHBondContact O-N 2.85Å
145	F	43.1	Very low	45.7	Very low	64 Å²	64	94.4 Å²	94.4	28%	0.281	51%	0.506	S	S	.	.	H	α-helix	trans	-53.6	-47.1	-179.4	-159.2	-90.6	0	0	0	113.9	D141 N142 T143 S147 F148 C149 I161 N162	D141-F145 PolarHBondContact O-N 2.95Å; N142-F145 WeakPolarHBondContact O-CB 3.26Å; N142-F145 PolarHBondContact O-N 2.79Å; T143-F145 PolarHBondContact O-N 3.46Å; F145-S147 PolarHBondContact O-N 3.27Å; F145-F148 PolarHBondContact O-N 3.47Å; F145-C149 VanDerWaalsContact O-CB 3.31Å; F145-C149 WeakPolarHBondContact O-CB 3.26Å; F145-C149 PolarHBondContact O-N 3.39Å; F145-I161 HydrophobicContact CD2-CG2 3.92Å; F145-I161 HydrophobicContact CE2-CG2 3.9Å; F145-N162 HydrophobicContact CE2-CB 4Å; F145-N162 HydrophobicContact CZ-CB 4.1Å; F145-N162 VanDerWaalsContact CZ-CG 3.46Å
146	E	42.1	Very low	46.7	Very low	144 Å²	144	91.9 Å²	91.9	67%	0.673	48%	0.484	S	S	*	.	H	α-helix	trans	-69.3	-32.7	179.4	-73.4	-165.7	168.7	0	0	113.3	L144 K150	L144-E146 PolarHBondContact O-N 3.42Å; E146-K150 WeakPolarHBondContact O-CG 3.26Å
147	S	47.7	Very low	47.8	Very low	68 Å²	68	87 Å²	87	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-72.4	-40.4	176.9	70.8	0	0	0	0	112	L144 F145	L144-S147 PolarHBondContact O-N 2.66Å; L144-S147 VanDerWaalsContact O-N 3.15Å; L144-S147 PolarHBondContact O-OG 2.81Å; F145-S147 PolarHBondContact O-N 3.27Å
148	F	44.8	Very low	49.2	Very low	73 Å²	73	80.2 Å²	80.2	32%	0.32	43%	0.428	S	S	.	.	H	α-helix	trans	-80.3	-24.4	-178	-75.3	-64.6	0	0	0	113.8	W133 L144 F145 K150	W133-F148 HydrophobicContact CD2-CE1 4.49Å; W133-F148 AromaticContact CE2-CE1 4Å; W133-F148 HydrophobicContact CG-CE1 4.5Å; W133-F148 HydrophobicContact CZ2-CD1 4.44Å; W133-F148 HydrophobicContact CZ2-CE1 4.44Å; W133-F148 AromaticContact NE1-CD1 3.48Å; W133-F148 AromaticContact NE1-CE1 3.71Å; L144-F148 HydrophobicContact CB-CD2 3.88Å; L144-F148 HydrophobicContact CB-CE2 3.88Å; L144-F148 HydrophobicContact CD2-CD2 4.25Å; L144-F148 HydrophobicContact CD2-CE2 3.48Å; L144-F148 VanDerWaalsContact CD2-CE2 3.48Å; L144-F148 HydrophobicContact CD2-CZ 4.3Å; L144-F148 HydrophobicContact CG-CE2 4.18Å; L144-F148 WeakPolarHBondContact O-CD2 3.16Å; L144-F148 PolarHBondContact O-N 2.85Å; F145-F148 PolarHBondContact O-N 3.47Å; F148-K150 PolarHBondContact O-N 2.97Å
149	C	46.5	Very low	50.3	Low	28 Å²	28	77.3 Å²	77.3	19%	0.189	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.4	176.4	-152.1	0	0	0	0	113.7	F145 C160	F145-C149 VanDerWaalsContact O-CB 3.31Å; F145-C149 WeakPolarHBondContact O-CB 3.26Å; F145-C149 PolarHBondContact O-N 3.39Å; C149-C160 WeakPolarHBondContact CA-SG 3.32Å; C149-C160 HydrophobicContact CB-CB 3.76Å; C149-C160 WeakPolarHBondContact CB-SG 3.48Å; C149-C160 WeakPolarHBondContact SG-CB 3.02Å; C149-C160 CovalentContact SG-SG 2.05Å; C149-C160 PolarHBondContact SG-SG 3.05Å
150	K	48.3	Very low	51.2	Low	160 Å²	160	71.6 Å²	71.6	70%	0.696	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	0.5	176.2	-71.6	178.4	-175.3	176.1	0	114.4	E146 F148 R152	E146-K150 WeakPolarHBondContact O-CG 3.26Å; F148-K150 PolarHBondContact O-N 2.97Å; K150-R152 VanDerWaalsContact C-N 3.33Å; K150-R152 PolarHBondContact O-N 2.94Å
151	M	51.1	Low	51.8	Low	56 Å²	56	70 Å²	70	28%	0.276	35%	0.349	S	S	.	.			trans	-70.3	98	174.1	-127.2	-161.2	-30.4	0	0	108.8	M131 W133 V153	M131-M151 HydrophobicContact CG-CE 4.47Å; W133-M151 HydrophobicContact CD2-CE 4.49Å; W133-M151 HydrophobicContact CH2-CE 3.94Å; W133-M151 HydrophobicContact CH2-SD 3.66Å; W133-M151 HydrophobicContact CZ2-CE 3.01Å; W133-M151 HydrophobicContact CZ2-CG 4.22Å; W133-M151 HydrophobicContact CZ2-SD 3.3Å; W133-M151 WeakPolarHBondContact CZ2-SD 3.15Å; M151-V153 WeakPolarHBondContact O-CG2 3.4Å; M151-V153 PolarHBondContact O-N 2.81Å
152	R	53.8	Low	52.5	Low	176 Å²	176	66.9 Å²	66.9	66%	0.664	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	98.5	174.3	-143.9	179	-168.1	179.7	2.1	107.1	K150 Q155 N158	K150-R152 VanDerWaalsContact C-N 3.33Å; K150-R152 PolarHBondContact O-N 2.94Å; R152-Q155 WeakPolarHBondContact CD-O 3.27Å; R152-Q155 WeakPolarHBondContact CG-O 3.01Å; R152-Q155 PolarHBondContact NE-O 3.07Å; R152-Q155 PolarHBondContact NH2-O 3.47Å; R152-N158 VanDerWaalsContact CA-OD1 3.31Å; R152-N158 WeakPolarHBondContact CA-OD1 3.3Å; R152-N158 WeakPolarHBondContact CG-OD1 3.38Å
153	V	56.3	Low	53.4	Low	21 Å²	21	60.7 Å²	60.7	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-33.7	-170.6	-170	0	0	0	0	110.3	F30 M151 W157 V159	F30-V153 HydrophobicContact CD1-CG1 3.51Å; F30-V153 HydrophobicContact CD2-CG1 3.49Å; F30-V153 VanDerWaalsContact CD2-CG1 3.49Å; F30-V153 HydrophobicContact CE1-CG1 3.26Å; F30-V153 HydrophobicContact CE2-CG1 3.24Å; F30-V153 HydrophobicContact CG-CG1 3.61Å; F30-V153 HydrophobicContact CZ-CB 4.4Å; F30-V153 HydrophobicContact CZ-CG1 3.09Å; M151-V153 WeakPolarHBondContact O-CG2 3.4Å; M151-V153 PolarHBondContact O-N 2.81Å; V153-W157 PolarHBondContact N-O 3.48Å; V153-V159 HydrophobicContact CB-CG2 3.94Å; V153-V159 HydrophobicContact CG1-CG2 4.05Å; V153-V159 HydrophobicContact CG2-CB 3.73Å; V153-V159 HydrophobicContact CG2-CG2 3.46Å; V153-V159 VanDerWaalsContact CG2-CG2 3.46Å
154	A	54.3	Low	54.4	Low	18 Å²	18	55.8 Å²	55.8	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	123.7	166.8	0	0	0	0	0	112.2	N32 Q156 W157	N32-A154 WeakPolarHBondContact ND2-CB 3.43Å; A154-Q156 PolarHBondContact O-N 2.94Å; A154-W157 PolarHBondContact N-O 2.71Å; A154-W157 WeakPolarHBondContact O-CB 3.06Å; A154-W157 PolarHBondContact O-N 2.94Å
155	Q	65.5	Low	55.4	Low	146 Å²	146	53.1 Å²	53.1	68%	0.682	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	-100.2	176.3	-62.8	179.7	-1.5	0	0	112.9	R152	R152-Q155 WeakPolarHBondContact CD-O 3.27Å; R152-Q155 WeakPolarHBondContact CG-O 3.01Å; R152-Q155 PolarHBondContact NE-O 3.07Å; R152-Q155 PolarHBondContact NH2-O 3.47Å
156	Q	61.1	Low	56.4	Low	40 Å²	40	50.3 Å²	50.3	19%	0.187	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.7	178.8	63.5	-168.7	-8.3	0	0	113.8	A154 A166 N167	A154-Q156 PolarHBondContact O-N 2.94Å; Q156-A166 HydrophobicContact CG-CB 4.47Å; Q156-A166 CarbonylContact O-C 3.59Å; Q156-A166 WeakPolarHBondContact O-CA 3.31Å; Q156-N167 PolarHBondContact O-N 2.96Å
157	W	60.3	Low	57.6	Low	3 Å²	3	47.1 Å²	47.1	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.7	-173	-57.1	103.9	0	0	0	111.8	L37 I59 K61 V153 A154 Y165 A166 L171	L37-W157 HydrophobicContact CD2-CB 4.21Å; L37-W157 HydrophobicContact CD2-CD2 3.62Å; L37-W157 HydrophobicContact CD2-CE3 3.79Å; L37-W157 HydrophobicContact CD2-CG 3.79Å; L37-W157 HydrophobicContact CD2-CZ3 4.28Å; I59-W157 HydrophobicContact CG2-CH2 3.74Å; I59-W157 HydrophobicContact CG2-CZ3 4.2Å; K61-W157 HydrophobicContact CB-CZ2 4.46Å; K61-W157 HydrophobicContact CG-CZ2 3.82Å; V153-W157 PolarHBondContact N-O 3.48Å; A154-W157 PolarHBondContact N-O 2.71Å; A154-W157 WeakPolarHBondContact O-CB 3.06Å; A154-W157 PolarHBondContact O-N 2.94Å; W157-Y165 WeakPolarHBondContact CA-O 3.41Å; W157-A166 HydrophobicContact CE3-CB 4.24Å; W157-A166 HydrophobicContact CZ3-CB 4.36Å; W157-L171 HydrophobicContact CE3-CD1 3.92Å; W157-L171 HydrophobicContact CH2-CD1 3.91Å; W157-L171 HydrophobicContact CZ3-CD1 3.19Å
158	N	62.8	Low	58.5	Low	24 Å²	24	50.6 Å²	50.6	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.5	167.1	-57.4	-55.4	0	0	0	107.8	R152 Y165 N167	R152-N158 VanDerWaalsContact CA-OD1 3.31Å; R152-N158 WeakPolarHBondContact CA-OD1 3.3Å; R152-N158 WeakPolarHBondContact CG-OD1 3.38Å; N158-Y165 PolarHBondContact N-O 3.17Å; N158-Y165 PolarHBondContact O-N 3.29Å; N158-N167 PolarHBondContact ND2-O 3.08Å
159	V	59.3	Low	59.4	Low	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.4	172.6	-170.8	0	0	0	0	106.8	M131 V153 M164	M131-V159 HydrophobicContact CE-CB 4.26Å; M131-V159 HydrophobicContact CE-CG1 3.5Å; M131-V159 VanDerWaalsContact CE-CG1 3.5Å; M131-V159 HydrophobicContact SD-CB 3.58Å; M131-V159 VanDerWaalsContact SD-CB 3.58Å; M131-V159 HydrophobicContact SD-CG1 3.38Å; M131-V159 WeakPolarHBondContact SD-CG1 3.45Å; M131-V159 HydrophobicContact SD-CG2 4.03Å; V153-V159 HydrophobicContact CB-CG2 3.94Å; V153-V159 HydrophobicContact CG1-CG2 4.05Å; V153-V159 HydrophobicContact CG2-CB 3.73Å; V153-V159 HydrophobicContact CG2-CG2 3.46Å; V153-V159 VanDerWaalsContact CG2-CG2 3.46Å; V159-M164 HydrophobicContact CB-CG 4.21Å; V159-M164 HydrophobicContact CG1-CG 3.73Å; V159-M164 HydrophobicContact CG2-CE 4Å; V159-M164 HydrophobicContact CG2-CG 3.88Å; V159-M164 HydrophobicContact CG2-SD 4.34Å
160	C	58.1	Low	60.3	Low	5 Å²	5	53.2 Å²	53.2	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	167.8	179.8	-41.8	0	0	0	0	109.9	C149 N162 G163 Y165 W174	C149-C160 WeakPolarHBondContact CA-SG 3.32Å; C149-C160 HydrophobicContact CB-CB 3.76Å; C149-C160 WeakPolarHBondContact CB-SG 3.48Å; C149-C160 WeakPolarHBondContact SG-CB 3.02Å; C149-C160 CovalentContact SG-SG 2.05Å; C149-C160 PolarHBondContact SG-SG 3.05Å; C160-N162 PolarHBondContact O-N 3.01Å; C160-G163 CarbonylContact C-O 3.54Å; C160-G163 WeakPolarHBondContact CA-O 3.5Å; C160-G163 PolarHBondContact N-O 3.17Å; C160-G163 PolarHBondContact O-N 3.32Å; C160-Y165 HydrophobicContact CB-CD2 4.07Å; C160-Y165 HydrophobicContact CB-CE2 3.6Å; C160-Y165 WeakPolarHBondContact SG-CD2 3.41Å; C160-Y165 WeakPolarHBondContact SG-CE2 3.3Å; C160-W174 PolarHBondContact O-NE1 3.43Å
161	I	54.9	Low	60.9	Low	36 Å²	36	46.6 Å²	46.6	19%	0.185	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.5	-176	-159.4	153.7	0	0	0	113.2	F136 I140 F145	F136-I161 HydrophobicContact CE1-CD1 4.35Å; F136-I161 HydrophobicContact CE1-CG1 3.79Å; F136-I161 HydrophobicContact CZ-CG1 3.84Å; F136-I161 WeakPolarHBondContact CZ-O 3.27Å; I140-I161 HydrophobicContact CD1-CB 4.35Å; I140-I161 HydrophobicContact CD1-CD1 3.26Å; I140-I161 HydrophobicContact CD1-CG1 3.52Å; I140-I161 HydrophobicContact CD1-CG2 3.94Å; I140-I161 HydrophobicContact CG1-CD1 3.64Å; I140-I161 HydrophobicContact CG1-CG1 4.43Å; I140-I161 HydrophobicContact CG2-CD1 4.37Å; I140-I161 HydrophobicContact CG2-CG2 4.34Å; F145-I161 HydrophobicContact CD2-CG2 3.92Å; F145-I161 HydrophobicContact CE2-CG2 3.9Å
162	N	58.5	Low	61.3	Low	24 Å²	24	44 Å²	44	13%	0.128	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11	177.6	73.7	-38.1	0	0	0	113	F145 C160 Y165 N173 W174 T175	F145-N162 HydrophobicContact CE2-CB 4Å; F145-N162 HydrophobicContact CZ-CB 4.1Å; F145-N162 VanDerWaalsContact CZ-CG 3.46Å; C160-N162 PolarHBondContact O-N 3.01Å; N162-Y165 PolarHBondContact ND2-OH 2.65Å; N162-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; N162-Y165 PolarHBondContact OD1-OH 2.87Å; N162-N173 CarbonylContact O-C 3.5Å; N162-N173 VanDerWaalsContact O-CA 3.3Å; N162-N173 WeakPolarHBondContact O-CA 3.34Å; N162-N173 PolarHBondContact O-OD1 3.39Å; N162-W174 PolarHBondContact O-N 2.93Å; N162-T175 HydrophobicContact CB-CG2 4.3Å
163	G	61.9	Low	61.7	Low	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	174.3	-172.3	0	0	0	0	0	117	C160 A172 W174	C160-G163 CarbonylContact C-O 3.54Å; C160-G163 WeakPolarHBondContact CA-O 3.5Å; C160-G163 PolarHBondContact N-O 3.17Å; C160-G163 PolarHBondContact O-N 3.32Å; G163-A172 CarbonylContact C-O 3.41Å; G163-A172 WeakPolarHBondContact CA-O 3.15Å; G163-W174 VanDerWaalsContact C-NE1 3.35Å
164	M	67.5	Low	61.7	Low	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141	167.4	-78.7	175.6	76.4	0	0	110.3	L37 Y39 I59 W67 V159 L171 A172 W174	L37-M164 HydrophobicContact CD2-CE 3.17Å; L37-M164 HydrophobicContact CG-CE 3.96Å; Y39-M164 HydrophobicContact CD1-SD 4.22Å; Y39-M164 HydrophobicContact CD2-SD 4.21Å; Y39-M164 HydrophobicContact CG-SD 3.89Å; I59-M164 HydrophobicContact CD1-CE 3.8Å; I59-M164 HydrophobicContact CD1-SD 4.16Å; W67-M164 HydrophobicContact CH2-CB 4.25Å; W67-M164 HydrophobicContact CH2-CG 4.36Å; W67-M164 HydrophobicContact CH2-SD 3.56Å; W67-M164 VanDerWaalsContact CH2-SD 3.56Å; W67-M164 HydrophobicContact CZ2-CB 4.2Å; W67-M164 HydrophobicContact CZ2-SD 4.3Å; W67-M164 HydrophobicContact CZ3-SD 4.43Å; V159-M164 HydrophobicContact CB-CG 4.21Å; V159-M164 HydrophobicContact CG1-CG 3.73Å; V159-M164 HydrophobicContact CG2-CE 4Å; V159-M164 HydrophobicContact CG2-CG 3.88Å; V159-M164 HydrophobicContact CG2-SD 4.34Å; M164-L171 WeakPolarHBondContact O-CA 3.34Å; M164-L171 WeakPolarHBondContact O-CB 3.49Å; M164-L171 PolarHBondContact O-N 3.21Å; M164-A172 PolarHBondContact N-O 3.4Å; M164-A172 PolarHBondContact O-N 3.38Å; M164-W174 HydrophobicContact CB-CZ2 4.23Å; M164-W174 HydrophobicContact CG-CH2 3.97Å; M164-W174 HydrophobicContact CG-CZ2 3.35Å; M164-W174 HydrophobicContact SD-CH2 3.57Å; M164-W174 VanDerWaalsContact SD-CH2 3.57Å; M164-W174 HydrophobicContact SD-CZ2 3.45Å; M164-W174 WeakPolarHBondContact SD-CZ2 3.46Å
165	Y	66.3	Low	61.5	Low	27 Å²	27	41.9 Å²	41.9	11%	0.106	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.8	-179.7	-62	-113.4	0	0	0	109.6	W157 N158 C160 N162 L169 L170	W157-Y165 WeakPolarHBondContact CA-O 3.41Å; N158-Y165 PolarHBondContact N-O 3.17Å; N158-Y165 PolarHBondContact O-N 3.29Å; C160-Y165 HydrophobicContact CB-CD2 4.07Å; C160-Y165 HydrophobicContact CB-CE2 3.6Å; C160-Y165 WeakPolarHBondContact SG-CD2 3.41Å; C160-Y165 WeakPolarHBondContact SG-CE2 3.3Å; N162-Y165 PolarHBondContact ND2-OH 2.65Å; N162-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; N162-Y165 PolarHBondContact OD1-OH 2.87Å; Y165-L169 CarbonylContact C-O 3.6Å; Y165-L169 WeakPolarHBondContact CA-O 3.37Å; Y165-L169 WeakPolarHBondContact CB-O 3.33Å; Y165-L170 HydrophobicContact CD1-CB 3.93Å; Y165-L170 HydrophobicContact CD1-CD1 4.45Å; Y165-L170 HydrophobicContact CD2-CD1 4.07Å; Y165-L170 HydrophobicContact CE1-CB 3.6Å; Y165-L170 HydrophobicContact CE1-CD1 4Å; Y165-L170 HydrophobicContact CE1-CG 4.33Å; Y165-L170 HydrophobicContact CE2-CD1 3.53Å; Y165-L170 HydrophobicContact CG-CD1 4.48Å
166	A	63.7	Low	60.7	Low	4 Å²	4	38.8 Å²	38.8	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.4	157.4	0	0	0	0	0	107.9	Q156 W157 V168 L169 L171	Q156-A166 HydrophobicContact CG-CB 4.47Å; Q156-A166 CarbonylContact O-C 3.59Å; Q156-A166 WeakPolarHBondContact O-CA 3.31Å; W157-A166 HydrophobicContact CE3-CB 4.24Å; W157-A166 HydrophobicContact CZ3-CB 4.36Å; A166-V168 PolarHBondContact O-N 3.06Å; A166-L169 PolarHBondContact N-O 3.27Å; A166-L169 PolarHBondContact O-N 3.39Å; A166-L169 VanDerWaalsContact O-N 3.1Å; A166-L171 HydrophobicContact CB-CD1 3.48Å; A166-L171 VanDerWaalsContact CB-CD1 3.48Å; A166-L171 HydrophobicContact CB-CG 4.21Å
167	N	66.8	Low	59.9	Low	78 Å²	78	43.4 Å²	43.4	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-110.9	-166.9	-56.4	-53.9	0	0	0	110.1	Q156 N158	Q156-N167 PolarHBondContact O-N 2.96Å; N158-N167 PolarHBondContact ND2-O 3.08Å
168	V	67.5	Low	58.8	Low	140 Å²	140	47.8 Å²	47.8	85%	0.848	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-2	179.4	-63.7	0	0	0	0	113.3	A166	A166-V168 PolarHBondContact O-N 3.06Å
169	L	63.4	Low	57.8	Low	89 Å²	89	48.8 Å²	48.8	47%	0.466	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.3	-175.3	-166.3	85	0	0	0	110.9	Y165 A166 L171	Y165-L169 CarbonylContact C-O 3.6Å; Y165-L169 WeakPolarHBondContact CA-O 3.37Å; Y165-L169 WeakPolarHBondContact CB-O 3.33Å; A166-L169 PolarHBondContact N-O 3.27Å; A166-L169 PolarHBondContact O-N 3.39Å; A166-L169 VanDerWaalsContact O-N 3.1Å; L169-L171 HydrophobicContact CD2-CD2 3.77Å; L169-L171 HydrophobicContact CG-CD2 4.34Å; L169-L171 PolarHBondContact O-N 2.88Å
170	L	66	Low	56.9	Low	68 Å²	68	55.2 Å²	55.2	36%	0.356	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117.5	173	179	61.4	0	0	0	110.1	Y165 A172 N173	Y165-L170 HydrophobicContact CD1-CB 3.93Å; Y165-L170 HydrophobicContact CD1-CD1 4.45Å; Y165-L170 HydrophobicContact CD2-CD1 4.07Å; Y165-L170 HydrophobicContact CE1-CB 3.6Å; Y165-L170 HydrophobicContact CE1-CD1 4Å; Y165-L170 HydrophobicContact CE1-CG 4.33Å; Y165-L170 HydrophobicContact CE2-CD1 3.53Å; Y165-L170 HydrophobicContact CG-CD1 4.48Å; L170-A172 VanDerWaalsContact CD1-O 3.31Å; L170-A172 WeakPolarHBondContact CD1-O 3.37Å; L170-N173 HydrophobicContact CD2-CB 4.06Å
171	L	60.7	Low	56.1	Low	21 Å²	21	56.3 Å²	56.3	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-39.8	-175.6	-61.1	-173.7	0	0	0	113.7	W157 M164 A166 L169	W157-L171 HydrophobicContact CE3-CD1 3.92Å; W157-L171 HydrophobicContact CH2-CD1 3.91Å; W157-L171 HydrophobicContact CZ3-CD1 3.19Å; M164-L171 WeakPolarHBondContact O-CA 3.34Å; M164-L171 WeakPolarHBondContact O-CB 3.49Å; M164-L171 PolarHBondContact O-N 3.21Å; A166-L171 HydrophobicContact CB-CD1 3.48Å; A166-L171 VanDerWaalsContact CB-CD1 3.48Å; A166-L171 HydrophobicContact CB-CG 4.21Å; L169-L171 HydrophobicContact CD2-CD2 3.77Å; L169-L171 HydrophobicContact CG-CD2 4.34Å; L169-L171 PolarHBondContact O-N 2.88Å
172	A	59.3	Low	54.9	Low	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.9	169.7	0	0	0	0	0	108.2	W67 G163 M164 L170 W174	W67-A172 HydrophobicContact CD2-CB 4.45Å; W67-A172 HydrophobicContact CH2-CB 3.46Å; W67-A172 VanDerWaalsContact CH2-CB 3.46Å; W67-A172 HydrophobicContact CZ2-CB 3.09Å; W67-A172 HydrophobicContact CZ3-CB 4.3Å; G163-A172 CarbonylContact C-O 3.41Å; G163-A172 WeakPolarHBondContact CA-O 3.15Å; M164-A172 PolarHBondContact N-O 3.4Å; M164-A172 PolarHBondContact O-N 3.38Å; L170-A172 VanDerWaalsContact CD1-O 3.31Å; L170-A172 WeakPolarHBondContact CD1-O 3.37Å; A172-W174 HydrophobicContact CB-CE3 4.3Å; A172-W174 HydrophobicContact CB-CH2 4.44Å; A172-W174 HydrophobicContact CB-CZ3 4.06Å
173	N	61.7	Low	53.5	Low	31 Å²	31	65.6 Å²	65.6	17%	0.166	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.8	170.7	-173.4	-13.5	0	0	0	108.4	N162 L170 T175 N176	N162-N173 CarbonylContact O-C 3.5Å; N162-N173 VanDerWaalsContact O-CA 3.3Å; N162-N173 WeakPolarHBondContact O-CA 3.34Å; N162-N173 PolarHBondContact O-OD1 3.39Å; L170-N173 HydrophobicContact CD2-CB 4.06Å; N173-T175 PolarHBondContact O-N 3.27Å; N173-T175 PolarHBondContact OD1-N 3.35Å; N173-T175 PolarHBondContact OD1-OG1 3.17Å; N173-N176 HydrophobicContact CB-CB 4.23Å; N173-N176 PolarHBondContact O-N 2.87Å
174	W	55.6	Low	52.2	Low	48 Å²	48	78 Å²	78	18%	0.182	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.6	177	-48.5	135.8	0	0	0	112.9	Y39 W67 C160 N162 G163 M164 A172	Y39-W174 AromaticContact CD1-CH2 3.49Å; Y39-W174 HydrophobicContact CD1-CH2 3.49Å; Y39-W174 VanDerWaalsContact CD1-CH2 3.49Å; Y39-W174 HydrophobicContact CD1-CZ2 4.02Å; Y39-W174 HydrophobicContact CD1-CZ3 4.37Å; Y39-W174 AromaticContact CE1-CH2 3.26Å; Y39-W174 HydrophobicContact CE1-CH2 3.26Å; Y39-W174 AromaticContact CE1-CZ2 3.53Å; Y39-W174 HydrophobicContact CE1-CZ2 3.53Å; Y39-W174 HydrophobicContact CE1-CZ3 4.01Å; Y39-W174 HydrophobicContact CE2-CZ2 4.43Å; Y39-W174 HydrophobicContact CG-CH2 4.37Å; Y39-W174 AromaticContact CZ-CZ2 3.76Å; W67-W174 AromaticContact CH2-CH2 3.41Å; W67-W174 HydrophobicContact CH2-CH2 3.41Å; W67-W174 VanDerWaalsContact CH2-CH2 3.41Å; W67-W174 HydrophobicContact CH2-CZ2 4.36Å; W67-W174 AromaticContact CH2-CZ3 3.78Å; W67-W174 HydrophobicContact CH2-CZ3 3.78Å; W67-W174 AromaticContact CZ3-CH2 3.72Å; W67-W174 HydrophobicContact CZ3-CH2 3.72Å; W67-W174 AromaticContact CZ3-CZ3 3.86Å; W67-W174 HydrophobicContact CZ3-CZ3 3.86Å; C160-W174 PolarHBondContact O-NE1 3.43Å; N162-W174 PolarHBondContact O-N 2.93Å; G163-W174 VanDerWaalsContact C-NE1 3.35Å; M164-W174 HydrophobicContact CB-CZ2 4.23Å; M164-W174 HydrophobicContact CG-CH2 3.97Å; M164-W174 HydrophobicContact CG-CZ2 3.35Å; M164-W174 HydrophobicContact SD-CH2 3.57Å; M164-W174 VanDerWaalsContact SD-CH2 3.57Å; M164-W174 HydrophobicContact SD-CZ2 3.45Å; M164-W174 WeakPolarHBondContact SD-CZ2 3.46Å; A172-W174 HydrophobicContact CB-CE3 4.3Å; A172-W174 HydrophobicContact CB-CH2 4.44Å; A172-W174 HydrophobicContact CB-CZ3 4.06Å
175	T	51.8	Low	51.5	Low	92 Å²	92	81.9 Å²	81.9	56%	0.564	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.5	-177.1	75	0	0	0	0	113.2	N162 N173	N162-T175 HydrophobicContact CB-CG2 4.3Å; N173-T175 PolarHBondContact O-N 3.27Å; N173-T175 PolarHBondContact OD1-N 3.35Å; N173-T175 PolarHBondContact OD1-OG1 3.17Å
176	N	48.3	Very low	50.7	Low	82 Å²	82	84.8 Å²	84.8	44%	0.439	46%	0.457	S	S	.	.	S	Bend	trans	-79.1	135.1	170.9	-94.9	-8.7	0	0	0	109.6	N173 C178 P179	N173-N176 HydrophobicContact CB-CB 4.23Å; N173-N176 PolarHBondContact O-N 2.87Å; N176-C178 PolarHBondContact O-N 3.2Å; N176-C178 VanDerWaalsContact O-N 3.17Å; N176-P179 WeakPolarHBondContact O-CD 3.5Å
177	T	43.7	Very low	50	Low	137 Å²	137	89.3 Å²	89.3	84%	0.84	48%	0.481	S	S	*	.	S	Bend	trans	-58.5	-25.8	175	40.2	0	0	0	0	113
178	C	37.4	Very low	49	Very low	95 Å²	95	89.9 Å²	89.9	64%	0.642	48%	0.484	S	S	*	.	S	Bend	trans	-119.6	94.1	163	-66.4	0	0	0	0	107.6	N176 N180	N176-C178 PolarHBondContact O-N 3.2Å; N176-C178 VanDerWaalsContact O-N 3.17Å; C178-N180 PolarHBondContact O-N 3.03Å
179	P	41	Very low	47.8	Very low	44 Å²	44	86.8 Å²	86.8	29%	0.286	46%	0.461	S	S	.	.			trans	-54.9	142.4	162.4	27.5	-33.6	0	0	0	106.4	N176 I181	N176-P179 WeakPolarHBondContact O-CD 3.5Å; P179-I181 HydrophobicContact CB-CD1 3.73Å; P179-I181 HydrophobicContact CB-CG1 3.88Å; P179-I181 HydrophobicContact CG-CB 4.39Å; P179-I181 HydrophobicContact CG-CD1 3.63Å; P179-I181 HydrophobicContact CG-CG1 4.06Å; P179-I181 PolarHBondContact O-N 2.92Å
180	N	41.5	Very low	46.8	Very low	139 Å²	139	86.7 Å²	86.7	74%	0.743	46%	0.461	S	S	*	.	S	Bend	trans	-67.4	47.7	174.8	-81.2	-34.3	0	0	0	111.3	C178	C178-N180 PolarHBondContact O-N 3.03Å
181	I	40.5	Very low	45.4	Very low	28 Å²	28	88 Å²	88	14%	0.144	47%	0.469	C	S	.	.			trans	-94	101.8	169.7	-62.5	171.9	0	0	0	102.9	F57 W67 P179 P183	F57-I181 HydrophobicContact CD1-CD1 4.12Å; F57-I181 HydrophobicContact CD1-CG2 4.29Å; F57-I181 HydrophobicContact CE1-CD1 3.78Å; F57-I181 HydrophobicContact CE1-CG2 4.16Å; F57-I181 HydrophobicContact CZ-CD1 3.97Å; W67-I181 HydrophobicContact CB-CB 4.17Å; W67-I181 HydrophobicContact CB-CG1 4.02Å; W67-I181 HydrophobicContact CB-CG2 3.87Å; W67-I181 HydrophobicContact CD2-CG1 3.95Å; W67-I181 HydrophobicContact CE3-CD1 4.04Å; W67-I181 HydrophobicContact CE3-CG1 3.96Å; W67-I181 HydrophobicContact CG-CG1 3.98Å; W67-I181 HydrophobicContact CZ3-CD1 4.49Å; P179-I181 HydrophobicContact CB-CD1 3.73Å; P179-I181 HydrophobicContact CB-CG1 3.88Å; P179-I181 HydrophobicContact CG-CB 4.39Å; P179-I181 HydrophobicContact CG-CD1 3.63Å; P179-I181 HydrophobicContact CG-CG1 4.06Å; P179-I181 PolarHBondContact O-N 2.92Å; I181-P183 WeakPolarHBondContact O-CD 3.18Å; I181-P183 VanDerWaalsContact O-N 3.11Å
182	K	30.2	Very low	44.2	Very low	162 Å²	162	93.2 Å²	93.2	70%	0.704	50%	0.496	S	S	*	.			trans	-60.1	116.5	171.7	-79.1	-169.5	175.6	-174	0	107.6	F184	K182-F184 PolarHBondContact O-N 3.3Å
183	P	29.7	Very low	43	Very low	92 Å²	92	100.9 Å²	100.9	60%	0.597	54%	0.538	S	S	*	.			trans	-77.4	109.1	162.3	30.7	-19.9	0	0	0	104.6	I181	I181-P183 WeakPolarHBondContact O-CD 3.18Å; I181-P183 VanDerWaalsContact O-N 3.11Å
184	F	34.7	Very low	41.3	Very low	261 Å²	261	107.3 Å²	107.3	100%	1.145	57%	0.571	S	S	*	*			trans	77.8	0	174.5	-38	-74.5	0	0	0	115.9	K182	K182-F184 PolarHBondContact O-N 3.3Å

Retrieved 184 of 184 residues in 111.5 ms (Link to these results)

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