X6R751_HUMAN Loading...

HORMA domain-containing protein 1

Plays a key role in meiotic progression. Regulates 3 different functions during meiosis: ensures that sufficient numbers of processed DNA double-strand breaks (DSBs) are available for successful homology search by increasing the steady-state numbers of single-stranded DSB ends. Promotes synaptonemal-complex formation independently of its role in homology search. Plays a key role in the male mid-pachytene checkpoint and the female meiotic prophase checkpoint: required for efficient build-up of ATR activity on unsynapsed chromosome regions, a process believed to form the basis of meiotic silencing of unsynapsed chromatin (MSUC) and meiotic prophase quality control in both sexes.

AlphaFold DB , UniProt , Accession X6R751, Species HUMAN (Homo sapiens, Human), Gene HORMAD1, Length 190 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	53.7	Low	83.5	Confident	200 Å²	200	118.8 Å²	118.8	99%	0.985	54%	0.535	S	S	*	.				0	-42.1	0	-156.6	167.4	171.3	0	0	113.8
2	R	73.9	Confident	84.4	Confident	233 Å²	233	117.7 Å²	117.7	88%	0.879	54%	0.536	S	S	*	.	H	α-helix	trans	-66.2	-41.1	-178.1	-67.3	-175.8	178.9	-178	-0.1	115.2	K6	R2-K6 PolarHBondContact O-N 3.29Å
3	L	74.5	Confident	85.2	Confident	98 Å²	98	108.6 Å²	108.6	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-41.4	-178.9	-166.1	72.4	0	0	0	112.7	N5 K6 I7 L102	L3-N5 PolarHBondContact O-N 3.17Å; L3-K6 WeakPolarHBondContact O-CB 3.32Å; L3-K6 PolarHBondContact O-N 3.4Å; L3-K6 VanDerWaalsContact O-N 3.11Å; L3-I7 HydrophobicContact CD2-CD1 4.34Å; L3-I7 HydrophobicContact CG-CD1 4.04Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; L3-I7 PolarHBondContact O-N 3.09Å; L3-L102 HydrophobicContact CD1-CD1 4.28Å; L3-L102 HydrophobicContact CD2-CD1 4.21Å
4	W	82.6	Confident	85.9	Confident	188 Å²	188	101.8 Å²	101.8	71%	0.712	47%	0.466	S	S	*	.	H	α-helix	trans	-57.3	-46.7	176.8	176.2	-101.9	0	0	0	112.4	K6 I7 S8	W4-K6 VanDerWaalsContact C-N 3.26Å; W4-K6 PolarHBondContact O-N 3.05Å; W4-I7 PolarHBondContact O-N 3.21Å; W4-S8 WeakPolarHBondContact O-CB 3.35Å; W4-S8 PolarHBondContact O-N 3.26Å
5	N	85.9	Confident	86.4	Confident	87 Å²	87	103.7 Å²	103.7	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-62.9	-35.1	177.6	-70	-11	0	0	0	111.9	L3 R9	L3-N5 PolarHBondContact O-N 3.17Å; N5-R9 WeakPolarHBondContact O-CG 3.35Å; N5-R9 PolarHBondContact O-N 3.45Å; N5-R9 VanDerWaalsContact O-N 3.16Å
6	K	86.1	Confident	87	Confident	104 Å²	104	99.9 Å²	99.9	45%	0.452	45%	0.454	S	S	.	.	H	α-helix	trans	-67.2	-49.4	176.5	-160.9	-176.5	-170	-167.1	0	111.3	R2 L3 W4 S8 R9 W10	R2-K6 PolarHBondContact O-N 3.29Å; L3-K6 WeakPolarHBondContact O-CB 3.32Å; L3-K6 PolarHBondContact O-N 3.4Å; L3-K6 VanDerWaalsContact O-N 3.11Å; W4-K6 VanDerWaalsContact C-N 3.26Å; W4-K6 PolarHBondContact O-N 3.05Å; K6-S8 VanDerWaalsContact C-N 3.34Å; K6-S8 PolarHBondContact O-N 2.61Å; K6-R9 PolarHBondContact O-N 2.81Å; K6-W10 HydrophobicContact CD-CH2 3.9Å; K6-W10 HydrophobicContact CD-CZ2 3.72Å; K6-W10 HydrophobicContact CG-CD2 4.33Å; K6-W10 HydrophobicContact CG-CH2 4.3Å; K6-W10 HydrophobicContact CG-CZ2 3.91Å; K6-W10 PolarHBondContact O-N 2.8Å
7	I	89.3	Confident	87.4	Confident	57 Å²	57	94 Å²	94	29%	0.292	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-43.5	177.9	-67	169.9	0	0	0	110.8	L3 W4 R9 W10 M11	L3-I7 HydrophobicContact CD2-CD1 4.34Å; L3-I7 HydrophobicContact CG-CD1 4.04Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; L3-I7 PolarHBondContact O-N 3.09Å; W4-I7 PolarHBondContact O-N 3.21Å; I7-R9 PolarHBondContact O-N 3.46Å; I7-W10 HydrophobicContact CG1-CE3 4.29Å; I7-W10 HydrophobicContact CG1-CZ3 4.47Å; I7-W10 WeakPolarHBondContact O-CB 3.5Å; I7-W10 PolarHBondContact O-N 2.88Å; I7-M11 HydrophobicContact CG2-CG 4.33Å; I7-M11 WeakPolarHBondContact O-CG 3.48Å; I7-M11 PolarHBondContact O-N 2.74Å
8	S	90.5	Very high	87.6	Confident	55 Å²	55	91.4 Å²	91.4	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-58.3	-45.9	177.1	178.5	0	0	0	0	112.1	W4 K6 W10 M11 L12	W4-S8 WeakPolarHBondContact O-CB 3.35Å; W4-S8 PolarHBondContact O-N 3.26Å; K6-S8 VanDerWaalsContact C-N 3.34Å; K6-S8 PolarHBondContact O-N 2.61Å; S8-W10 PolarHBondContact O-N 2.74Å; S8-M11 PolarHBondContact O-N 3.34Å; S8-L12 WeakPolarHBondContact O-CG 3.22Å; S8-L12 PolarHBondContact O-N 2.95Å
9	R	92.6	Very high	87.7	Confident	158 Å²	158	91.8 Å²	91.8	60%	0.596	42%	0.42	S	S	*	.	H	α-helix	trans	-62.4	-40.5	175.1	-74	-176.5	71	-173.4	2.3	112.6	N5 K6 I7 L12 G13	N5-R9 WeakPolarHBondContact O-CG 3.35Å; N5-R9 PolarHBondContact O-N 3.45Å; N5-R9 VanDerWaalsContact O-N 3.16Å; K6-R9 PolarHBondContact O-N 2.81Å; I7-R9 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 3.34Å; R9-G13 PolarHBondContact O-N 3.11Å; R9-G13 VanDerWaalsContact O-N 3.11Å
10	W	95	Very high	87.9	Confident	19 Å²	19	92.1 Å²	92.1	7%	0.072	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-43.3	174.8	-68.6	-23.9	0	0	0	112.2	K6 I7 S8 L12 G13 C14 L102 M104 F122	K6-W10 HydrophobicContact CD-CH2 3.9Å; K6-W10 HydrophobicContact CD-CZ2 3.72Å; K6-W10 HydrophobicContact CG-CD2 4.33Å; K6-W10 HydrophobicContact CG-CH2 4.3Å; K6-W10 HydrophobicContact CG-CZ2 3.91Å; K6-W10 PolarHBondContact O-N 2.8Å; I7-W10 HydrophobicContact CG1-CE3 4.29Å; I7-W10 HydrophobicContact CG1-CZ3 4.47Å; I7-W10 WeakPolarHBondContact O-CB 3.5Å; I7-W10 PolarHBondContact O-N 2.88Å; S8-W10 PolarHBondContact O-N 2.74Å; W10-L12 VanDerWaalsContact C-N 3.29Å; W10-L12 PolarHBondContact O-N 2.77Å; W10-G13 PolarHBondContact O-N 3.44Å; W10-G13 VanDerWaalsContact O-N 3.15Å; W10-C14 PolarHBondContact O-N 3.34Å; W10-C14 PolarHBondContact O-SG 3.29Å; W10-L102 HydrophobicContact CH2-CB 4.38Å; W10-L102 WeakPolarHBondContact CH2-O 3.32Å; W10-L102 HydrophobicContact CZ3-CB 4.34Å; W10-M104 HydrophobicContact CB-CE 4.11Å; W10-M104 HydrophobicContact CB-SD 3.84Å; W10-M104 HydrophobicContact CD2-CB 4.11Å; W10-M104 HydrophobicContact CE3-CB 4.07Å; W10-M104 HydrophobicContact CE3-CE 4.15Å; W10-M104 HydrophobicContact CG-CB 4.5Å; W10-M104 HydrophobicContact CG-SD 4.42Å; W10-M104 HydrophobicContact CZ3-CB 4.36Å; W10-F122 HydrophobicContact CB-CE2 4.25Å; W10-F122 HydrophobicContact CB-CZ 3.85Å; W10-F122 AromaticContact CD1-CZ 3.81Å; W10-F122 HydrophobicContact CG-CZ 4.02Å; W10-F122 WeakPolarHBondContact O-CE2 3.39Å
11	M	94.1	Very high	88	Confident	108 Å²	108	91.5 Å²	91.5	53%	0.532	42%	0.416	S	S	.	.	H	α-helix	trans	-62.7	-35.9	176.9	-69.2	-54.8	-60.4	0	0	112.5	I7 S8 C14 Y15	I7-M11 HydrophobicContact CG2-CG 4.33Å; I7-M11 WeakPolarHBondContact O-CG 3.48Å; I7-M11 PolarHBondContact O-N 2.74Å; S8-M11 PolarHBondContact O-N 3.34Å; M11-C14 PolarHBondContact O-N 2.99Å; M11-Y15 WeakPolarHBondContact O-CB 3.43Å; M11-Y15 PolarHBondContact O-N 3Å
12	L	94.4	Very high	89.9	Confident	105 Å²	105	84.2 Å²	84.2	55%	0.55	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-43.2	172.9	-70	171.9	0	0	0	112	S8 R9 W10 Y15 D16	S8-L12 WeakPolarHBondContact O-CG 3.22Å; S8-L12 PolarHBondContact O-N 2.95Å; R9-L12 PolarHBondContact O-N 3.34Å; W10-L12 VanDerWaalsContact C-N 3.29Å; W10-L12 PolarHBondContact O-N 2.77Å; L12-Y15 PolarHBondContact O-N 3.45Å; L12-D16 PolarHBondContact O-N 2.83Å
13	G	95.5	Very high	90.7	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-38.8	175.7	0	0	0	0	0	113.3	R9 W10 Y15 D16 A17 P120	R9-G13 PolarHBondContact O-N 3.11Å; R9-G13 VanDerWaalsContact O-N 3.11Å; W10-G13 PolarHBondContact O-N 3.44Å; W10-G13 VanDerWaalsContact O-N 3.15Å; G13-Y15 VanDerWaalsContact C-N 3.34Å; G13-D16 PolarHBondContact O-N 2.94Å; G13-A17 PolarHBondContact O-N 3.07Å; G13-A17 VanDerWaalsContact O-N 3.12Å; G13-P120 VanDerWaalsContact CA-O 3.32Å; G13-P120 WeakPolarHBondContact CA-O 3.34Å
14	C	94.9	Very high	91.5	Very high	13 Å²	13	70.3 Å²	70.3	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-45	171.6	-67	0	0	0	0	111.4	W10 M11 A17 L18 L23 L106	W10-C14 PolarHBondContact O-N 3.34Å; W10-C14 PolarHBondContact O-SG 3.29Å; M11-C14 PolarHBondContact O-N 2.99Å; C14-A17 PolarHBondContact O-N 3.39Å; C14-L18 VanDerWaalsContact O-CB 3.24Å; C14-L18 WeakPolarHBondContact O-CB 3.24Å; C14-L18 PolarHBondContact O-N 2.76Å; C14-L23 HydrophobicContact CB-CD2 4.48Å; C14-L106 VanDerWaalsContact SG-CD2 3.57Å
15	Y	93.3	Very high	91.9	Very high	131 Å²	131	61.3 Å²	61.3	51%	0.514	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-45.3	179.7	-179.2	-102.6	0	0	0	112	M11 L12 G13 A17 L18 Q19	M11-Y15 WeakPolarHBondContact O-CB 3.43Å; M11-Y15 PolarHBondContact O-N 3Å; L12-Y15 PolarHBondContact O-N 3.45Å; G13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-A17 PolarHBondContact O-N 2.75Å; Y15-L18 PolarHBondContact O-N 2.86Å; Y15-Q19 HydrophobicContact CD1-CG 4.24Å; Y15-Q19 HydrophobicContact CD2-CG 4.46Å; Y15-Q19 HydrophobicContact CE1-CG 3.87Å; Y15-Q19 HydrophobicContact CE2-CG 4.09Å; Y15-Q19 VanDerWaalsContact CZ-NE2 3.33Å; Y15-Q19 WeakPolarHBondContact O-CG 3.34Å; Y15-Q19 PolarHBondContact O-N 3.38Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å
16	D	95.1	Very high	92.2	Very high	42 Å²	42	57.6 Å²	57.6	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-48.9	176.6	-175.7	63.8	0	0	0	111.6	L12 G13 L18 Q19 K20 Y117	L12-D16 PolarHBondContact O-N 2.83Å; G13-D16 PolarHBondContact O-N 2.94Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.26Å; D16-Q19 PolarHBondContact O-N 3.26Å; D16-K20 WeakPolarHBondContact O-CG 3.42Å; D16-K20 PolarHBondContact O-N 3.25Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 WeakPolarHBondContact OD2-CE 3.5Å; D16-Y117 WeakPolarHBondContact OD2-CE2 3.27Å; D16-Y117 PolarHBondContact OD2-OH 3.22Å
17	A	94.3	Very high	92.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-36.7	177.9	0	0	0	0	0	112.6	G13 C14 Y15 K21 Y22 L23 Y108 Y117	G13-A17 PolarHBondContact O-N 3.07Å; G13-A17 VanDerWaalsContact O-N 3.12Å; C14-A17 PolarHBondContact O-N 3.39Å; Y15-A17 PolarHBondContact O-N 2.75Å; A17-K21 PolarHBondContact O-N 3.01Å; A17-Y22 PolarHBondContact O-N 2.89Å; A17-L23 HydrophobicContact CB-CB 3.84Å; A17-L23 HydrophobicContact CB-CD1 4.25Å; A17-L23 HydrophobicContact CB-CD2 4.44Å; A17-L23 HydrophobicContact CB-CG 4.42Å; A17-L23 PolarHBondContact O-N 2.7Å; A17-Y108 HydrophobicContact CB-CE1 4.18Å; A17-Y117 WeakPolarHBondContact CA-OH 3.41Å; A17-Y117 HydrophobicContact CB-CE1 4.26Å; A17-Y117 VanDerWaalsContact CB-OH 3.31Å; A17-Y117 WeakPolarHBondContact CB-OH 3.09Å; A17-Y117 PolarHBondContact N-OH 2.96Å
18	L	90.8	Very high	92.6	Very high	47 Å²	47	52.1 Å²	52.1	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-45.8	178.2	-169.9	76.7	0	0	0	111.1	C14 Y15 D16 K20 K21 L23 F48 Y50	C14-L18 VanDerWaalsContact O-CB 3.24Å; C14-L18 WeakPolarHBondContact O-CB 3.24Å; C14-L18 PolarHBondContact O-N 2.76Å; Y15-L18 PolarHBondContact O-N 2.86Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.26Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.31Å; L18-K21 PolarHBondContact O-N 2.86Å; L18-K21 VanDerWaalsContact O-N 3.13Å; L18-L23 HydrophobicContact CB-CD2 4.25Å; L18-L23 HydrophobicContact CD1-CD2 4.31Å; L18-F48 HydrophobicContact CD1-CB 4.45Å; L18-F48 HydrophobicContact CD1-CD1 3.39Å; L18-F48 HydrophobicContact CD1-CE1 3.64Å; L18-F48 HydrophobicContact CD1-CG 3.89Å; L18-F48 HydrophobicContact CD1-CZ 4.33Å; L18-Y50 PolarHBondContact O-OH 3.31Å
19	Q	89.6	Confident	92.7	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-37.9	179.1	-76.1	-165.2	-56.3	0	0	112.7	Y15 D16 K21	Y15-Q19 HydrophobicContact CD1-CG 4.24Å; Y15-Q19 HydrophobicContact CD2-CG 4.46Å; Y15-Q19 HydrophobicContact CE1-CG 3.87Å; Y15-Q19 HydrophobicContact CE2-CG 4.09Å; Y15-Q19 VanDerWaalsContact CZ-NE2 3.33Å; Y15-Q19 WeakPolarHBondContact O-CG 3.34Å; Y15-Q19 PolarHBondContact O-N 3.38Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å; D16-Q19 PolarHBondContact O-N 3.26Å; Q19-K21 PolarHBondContact O-N 3.02Å
20	K	91.2	Very high	92.7	Very high	97 Å²	97	42.4 Å²	42.4	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.2	178.5	-66.1	172.6	-172.7	-70.3	0	113.7	D16 L18 Y22 Y117	D16-K20 WeakPolarHBondContact O-CG 3.42Å; D16-K20 PolarHBondContact O-N 3.25Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 WeakPolarHBondContact OD2-CE 3.5Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.31Å; K20-Y22 HydrophobicContact CB-CD1 4.04Å; K20-Y22 HydrophobicContact CB-CD2 3.59Å; K20-Y22 HydrophobicContact CB-CE1 4.05Å; K20-Y22 HydrophobicContact CB-CE2 3.62Å; K20-Y22 HydrophobicContact CB-CG 3.81Å; K20-Y22 HydrophobicContact CD-CD2 3.91Å; K20-Y22 HydrophobicContact CD-CE2 3.58Å; K20-Y22 HydrophobicContact CG-CD2 4.4Å; K20-Y22 HydrophobicContact CG-CE2 4.15Å; K20-Y22 VanDerWaalsContact O-CD1 3.23Å; K20-Y22 WeakPolarHBondContact O-CD1 3.47Å; K20-Y22 WeakPolarHBondContact O-CE1 3.47Å; K20-Y22 PolarHBondContact O-N 2.8Å; K20-Y117 HydrophobicContact CD-CE2 3.8Å
21	K	89.9	Confident	92.6	Very high	79 Å²	79	42.9 Å²	42.9	34%	0.343	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	25.6	-173.3	-49.8	-177.3	-178.7	178.3	0	114.5	A17 L18 Q19 Y50 G54	A17-K21 PolarHBondContact O-N 3.01Å; L18-K21 PolarHBondContact O-N 2.86Å; L18-K21 VanDerWaalsContact O-N 3.13Å; Q19-K21 PolarHBondContact O-N 3.02Å; K21-Y50 VanDerWaalsContact CA-CZ 3.48Å; K21-Y50 HydrophobicContact CB-CD1 3.83Å; K21-Y50 HydrophobicContact CB-CD2 4.48Å; K21-Y50 HydrophobicContact CB-CE1 3.78Å; K21-Y50 HydrophobicContact CB-CE2 4.39Å; K21-Y50 HydrophobicContact CB-CG 4.24Å; K21-Y50 HydrophobicContact CD-CD1 4.17Å; K21-Y50 HydrophobicContact CG-CD1 3.71Å; K21-Y50 HydrophobicContact CG-CE1 3.81Å; K21-Y50 HydrophobicContact CG-CG 4.46Å; K21-G54 VanDerWaalsContact NZ-CA 3.32Å
22	Y	93.6	Very high	92.4	Very high	47 Å²	47	40 Å²	40	18%	0.184	19%	0.188	C	C	.	.			trans	-87.8	-30.1	179.6	-62.7	-16.3	0	0	0	111.9	A17 K20 R24 Y108 Y109 V112 T113 Y117	A17-Y22 PolarHBondContact O-N 2.89Å; K20-Y22 HydrophobicContact CB-CD1 4.04Å; K20-Y22 HydrophobicContact CB-CD2 3.59Å; K20-Y22 HydrophobicContact CB-CE1 4.05Å; K20-Y22 HydrophobicContact CB-CE2 3.62Å; K20-Y22 HydrophobicContact CB-CG 3.81Å; K20-Y22 HydrophobicContact CD-CD2 3.91Å; K20-Y22 HydrophobicContact CD-CE2 3.58Å; K20-Y22 HydrophobicContact CG-CD2 4.4Å; K20-Y22 HydrophobicContact CG-CE2 4.15Å; K20-Y22 VanDerWaalsContact O-CD1 3.23Å; K20-Y22 WeakPolarHBondContact O-CD1 3.47Å; K20-Y22 WeakPolarHBondContact O-CE1 3.47Å; K20-Y22 PolarHBondContact O-N 2.8Å; Y22-R24 PolarHBondContact O-N 2.81Å; Y22-Y108 CarbonylContact O-C 3.5Å; Y22-Y108 WeakPolarHBondContact O-CA 3.25Å; Y22-Y108 WeakPolarHBondContact O-CB 3.47Å; Y22-Y109 PolarHBondContact O-N 2.92Å; Y22-V112 HydrophobicContact CD1-CG2 4.13Å; Y22-V112 WeakPolarHBondContact CE1-O 3.46Å; Y22-T113 WeakPolarHBondContact CB-OG1 3.43Å; Y22-T113 HydrophobicContact CD2-CG2 4Å; Y22-T113 HydrophobicContact CG-CG2 4.01Å; Y22-Y117 AromaticContact CD2-CD1 3.87Å; Y22-Y117 HydrophobicContact CD2-CD1 3.87Å; Y22-Y117 HydrophobicContact CD2-CD2 4.01Å; Y22-Y117 AromaticContact CD2-CE1 3.78Å; Y22-Y117 HydrophobicContact CD2-CE1 3.78Å; Y22-Y117 AromaticContact CD2-CE2 3.94Å; Y22-Y117 HydrophobicContact CD2-CE2 3.94Å; Y22-Y117 AromaticContact CD2-CG 3.97Å; Y22-Y117 HydrophobicContact CD2-CG 3.97Å; Y22-Y117 AromaticContact CD2-CZ 3.81Å; Y22-Y117 HydrophobicContact CE2-CD1 4.46Å; Y22-Y117 AromaticContact CE2-CD2 3.9Å; Y22-Y117 HydrophobicContact CE2-CD2 3.9Å; Y22-Y117 HydrophobicContact CE2-CE2 4.07Å; Y22-Y117 HydrophobicContact CE2-CG 4.1Å
23	L	92.5	Very high	92.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.1	-168.5	-170	62	0	0	0	112.6	C14 A17 L18 V26 F48 Y50 L106 Y108	C14-L23 HydrophobicContact CB-CD2 4.48Å; A17-L23 HydrophobicContact CB-CB 3.84Å; A17-L23 HydrophobicContact CB-CD1 4.25Å; A17-L23 HydrophobicContact CB-CD2 4.44Å; A17-L23 HydrophobicContact CB-CG 4.42Å; A17-L23 PolarHBondContact O-N 2.7Å; L18-L23 HydrophobicContact CB-CD2 4.25Å; L18-L23 HydrophobicContact CD1-CD2 4.31Å; L23-V26 HydrophobicContact CD1-CG2 4.01Å; L23-V26 HydrophobicContact CD2-CG2 3.68Å; L23-V26 HydrophobicContact CG-CG2 4.17Å; L23-F48 HydrophobicContact CD2-CD2 4.2Å; L23-F48 HydrophobicContact CD2-CE2 3.98Å; L23-F48 HydrophobicContact CD2-CZ 4.48Å; L23-F48 HydrophobicContact CG-CD2 4.14Å; L23-F48 HydrophobicContact CG-CE2 4.35Å; L23-F48 WeakPolarHBondContact O-CB 3.47Å; L23-Y50 VanDerWaalsContact O-CE2 3.25Å; L23-Y50 WeakPolarHBondContact O-CE2 3.45Å; L23-Y50 PolarHBondContact O-OH 3.39Å; L23-L106 HydrophobicContact CD1-CB 4Å; L23-L106 HydrophobicContact CD1-CD2 3.96Å; L23-L106 HydrophobicContact CD1-CG 4.37Å; L23-Y108 HydrophobicContact CD1-CD1 4.5Å; L23-Y108 HydrophobicContact CD1-CE1 4.4Å
24	R	90.6	Very high	91.9	Very high	38 Å²	38	42.4 Å²	42.4	14%	0.143	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-43.4	173	176.6	175.9	135.3	-114.1	-1.5	112	Y22 F48 F107 Y109 L183 D185	Y22-R24 PolarHBondContact O-N 2.81Å; R24-F48 PolarHBondContact O-N 2.78Å; R24-F107 WeakPolarHBondContact CA-O 3.24Å; R24-F107 WeakPolarHBondContact CB-O 3.37Å; R24-F107 PolarHBondContact N-O 3.25Å; R24-Y109 VanDerWaalsContact CA-CE2 3.45Å; R24-Y109 HydrophobicContact CB-CD1 4.25Å; R24-Y109 HydrophobicContact CB-CD2 3.75Å; R24-Y109 HydrophobicContact CB-CE1 4.14Å; R24-Y109 HydrophobicContact CB-CE2 3.59Å; R24-Y109 HydrophobicContact CB-CG 4.08Å; R24-Y109 HydrophobicContact CG-CD1 4.36Å; R24-Y109 HydrophobicContact CG-CE1 3.9Å; R24-Y109 HydrophobicContact CG-CE2 4.07Å; R24-L183 PolarHBondContact NH2-O 3.41Å; R24-D185 PolarHBondContact NH2-O 3.05Å
25	M	90.7	Very high	91.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.3	-176.4	-167.7	-177	-41.2	0	0	112.3	V27 Q45 F46 K47 F107	M25-V27 HydrophobicContact CG-CG2 4.18Å; M25-V27 HydrophobicContact SD-CG2 3.86Å; M25-Q45 HydrophobicContact SD-CB 4.44Å; M25-F46 CarbonylContact C-O 3.59Å; M25-F46 WeakPolarHBondContact CA-O 3.47Å; M25-F46 WeakPolarHBondContact CG-O 3.24Å; M25-K47 HydrophobicContact CE-CD 3.97Å; M25-K47 VanDerWaalsContact CE-CE 3.41Å; M25-K47 HydrophobicContact CE-CG 3.97Å; M25-K47 HydrophobicContact CG-CG 4.01Å; M25-K47 HydrophobicContact SD-CG 4.23Å; M25-F107 HydrophobicContact CB-CB 4.09Å; M25-F107 HydrophobicContact CB-CD2 4.22Å; M25-F107 PolarHBondContact N-O 2.89Å; M25-F107 PolarHBondContact O-N 3.43Å
26	V	93	Very high	91.4	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.5	163.8	-177.8	0	0	0	0	108.2	L23 Q45 F46 F48 M104 L106	L23-V26 HydrophobicContact CD1-CG2 4.01Å; L23-V26 HydrophobicContact CD2-CG2 3.68Å; L23-V26 HydrophobicContact CG-CG2 4.17Å; V26-Q45 WeakPolarHBondContact O-CA 3.44Å; V26-F46 HydrophobicContact CB-CB 4.14Å; V26-F46 HydrophobicContact CB-CD2 4.17Å; V26-F46 HydrophobicContact CG1-CD2 4.33Å; V26-F46 PolarHBondContact N-O 3.46Å; V26-F46 PolarHBondContact O-N 2.89Å; V26-F48 HydrophobicContact CG2-CE2 3.88Å; V26-M104 HydrophobicContact CG1-CE 4.36Å; V26-M104 HydrophobicContact CG1-CG 3.67Å; V26-M104 HydrophobicContact CG1-SD 3.66Å; V26-L106 HydrophobicContact CB-CD2 4.29Å; V26-L106 HydrophobicContact CG1-CD2 4.06Å; V26-L106 HydrophobicContact CG2-CD2 3.74Å
27	V	91.4	Very high	91	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	170.6	-179.1	0	0	0	0	108.1	M25 A29 C43 Y44 Q45 M104 K105 F107	M25-V27 HydrophobicContact CG-CG2 4.18Å; M25-V27 HydrophobicContact SD-CG2 3.86Å; V27-A29 HydrophobicContact CG1-CB 4.44Å; V27-C43 HydrophobicContact CG1-CB 4.39Å; V27-Y44 WeakPolarHBondContact CA-O 3.15Å; V27-Q45 HydrophobicContact CG2-CG 4.24Å; V27-M104 CarbonylContact O-C 3.58Å; V27-M104 VanDerWaalsContact O-CA 3.25Å; V27-M104 WeakPolarHBondContact O-CA 3.23Å; V27-K105 HydrophobicContact CB-CB 4.47Å; V27-K105 PolarHBondContact N-O 2.92Å; V27-K105 PolarHBondContact O-N 3.34Å; V27-F107 HydrophobicContact CB-CE2 4.3Å; V27-F107 HydrophobicContact CG2-CD2 4.13Å; V27-F107 HydrophobicContact CG2-CE2 3.66Å
28	L	92.6	Very high	90.6	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.6	166.9	177.4	67	0	0	0	107.6	C43 Y44 L102 M104	L28-C43 CarbonylContact O-C 3.56Å; L28-C43 VanDerWaalsContact O-CA 3.31Å; L28-C43 WeakPolarHBondContact O-CA 3.43Å; L28-Y44 PolarHBondContact N-O 2.88Å; L28-Y44 PolarHBondContact O-N 2.93Å; L28-L102 HydrophobicContact CD1-CD2 4.19Å; L28-M104 HydrophobicContact CD1-CB 4.48Å; L28-M104 HydrophobicContact CD1-CE 4.02Å
29	A	92.1	Very high	90.5	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.3	-176.4	0	0	0	0	0	111.9	V27 I40 E42 C43 L102 T103	V27-A29 HydrophobicContact CG1-CB 4.44Å; A29-I40 HydrophobicContact CB-CB 4.3Å; A29-I40 HydrophobicContact CB-CD1 4.11Å; A29-I40 HydrophobicContact CB-CG2 3.86Å; A29-E42 WeakPolarHBondContact CA-O 3.47Å; A29-C43 HydrophobicContact CB-CB 4.25Å; A29-L102 WeakPolarHBondContact O-CA 3.08Å; A29-T103 HydrophobicContact CB-CG2 3.94Å; A29-T103 PolarHBondContact N-O 3.44Å; A29-T103 PolarHBondContact O-N 3.17Å
30	V	92.7	Very high	90.6	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.6	175.2	-167	0	0	0	0	108.4	I40 S41 E42 L96 V100 C101 L102	V30-I40 WeakPolarHBondContact O-CA 3.36Å; V30-I40 WeakPolarHBondContact O-CB 3.5Å; V30-S41 PolarHBondContact O-N 2.89Å; V30-E42 HydrophobicContact CB-CB 4.02Å; V30-E42 HydrophobicContact CG2-CB 4.07Å; V30-E42 PolarHBondContact N-O 3.36Å; V30-E42 PolarHBondContact O-N 2.81Å; V30-L96 HydrophobicContact CG1-CD2 3.96Å; V30-V100 HydrophobicContact CG1-CB 3.71Å; V30-V100 HydrophobicContact CG1-CG1 3.85Å; V30-V100 HydrophobicContact CG1-CG2 4.29Å; V30-C101 WeakPolarHBondContact CA-O 3.37Å; V30-L102 HydrophobicContact CG2-CD2 3.85Å
31	Y	91.8	Very high	90.5	Very high	29 Å²	29	38.6 Å²	38.6	11%	0.114	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.4	178.6	60.8	-78.5	0	0	0	110.1	N33 P37 T39 C101 T103	Y31-N33 VanDerWaalsContact CD2-O 3.32Å; Y31-N33 WeakPolarHBondContact CD2-O 3.42Å; Y31-P37 HydrophobicContact CD2-CB 4.21Å; Y31-P37 HydrophobicContact CE1-CB 4.45Å; Y31-P37 HydrophobicContact CE2-CB 3.71Å; Y31-T39 VanDerWaalsContact CB-O 3.24Å; Y31-T39 WeakPolarHBondContact CB-O 3.34Å; Y31-C101 HydrophobicContact CD1-CB 3.98Å; Y31-C101 WeakPolarHBondContact CD1-O 3.49Å; Y31-C101 HydrophobicContact CD2-CB 3.76Å; Y31-C101 HydrophobicContact CE1-CB 3.52Å; Y31-C101 HydrophobicContact CE2-CB 3.29Å; Y31-C101 HydrophobicContact CG-CB 4.09Å; Y31-C101 PolarHBondContact N-O 2.49Å; Y31-C101 VanDerWaalsContact N-O 3.11Å; Y31-C101 PolarHBondContact O-N 3.3Å; Y31-C101 WeakPolarHBondContact OH-CB 3.46Å; Y31-T103 HydrophobicContact CD1-CG2 4.16Å; Y31-T103 HydrophobicContact CE1-CG2 3.88Å
32	T	91	Very high	90.6	Very high	47 Å²	47	35 Å²	35	29%	0.288	18%	0.184	S	C	.	.	S	Bend	trans	-102	-33.4	-173.3	49.9	0	0	0	0	112.4	P34 P97 E133	T32-P34 WeakPolarHBondContact O-CD 3.31Å; T32-P97 HydrophobicContact CG2-CB 4.15Å; T32-P97 HydrophobicContact CG2-CG 3.91Å; T32-E133 PolarHBondContact OG1-OE2 2.75Å
33	N	89.9	Confident	90.5	Very high	75 Å²	75	32.8 Å²	32.8	40%	0.401	18%	0.175	S	C	.	.			trans	-96.1	109.7	-177.8	-175.5	3.9	0	0	0	112.2	Y31 E35 D36	Y31-N33 VanDerWaalsContact CD2-O 3.32Å; Y31-N33 WeakPolarHBondContact CD2-O 3.42Å; N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 WeakPolarHBondContact OD1-CB 3.43Å; N33-E35 PolarHBondContact OD1-N 3.46Å; N33-D36 HydrophobicContact CB-CB 4.32Å; N33-D36 CarbonylContact O-C 3.53Å; N33-D36 VanDerWaalsContact O-C 3.26Å; N33-D36 PolarHBondContact O-N 2.86Å; N33-D36 VanDerWaalsContact O-N 3.09Å
34	P	89	Confident	90.5	Very high	81 Å²	81	34.5 Å²	34.5	53%	0.526	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	177.9	-22.9	35.1	0	0	0	114.4	T32 D36	T32-P34 WeakPolarHBondContact O-CD 3.31Å; P34-D36 VanDerWaalsContact C-N 3.33Å
35	E	90	Very high	90.5	Very high	173 Å²	173	32.8 Å²	32.8	81%	0.808	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.7	-179.9	-56.6	-57.7	132.3	0	0	112.5	N33	N33-E35 PolarHBondContact O-N 3.13Å; N33-E35 WeakPolarHBondContact OD1-CB 3.43Å; N33-E35 PolarHBondContact OD1-N 3.46Å
36	D	87.4	Confident	90.5	Very high	57 Å²	57	35.1 Å²	35.1	31%	0.305	19%	0.186	S	C	.	.			trans	-132.1	75.6	175	-176.9	9.8	0	0	0	111	N33 P34 Q38 T39	N33-D36 HydrophobicContact CB-CB 4.32Å; N33-D36 CarbonylContact O-C 3.53Å; N33-D36 VanDerWaalsContact O-C 3.26Å; N33-D36 PolarHBondContact O-N 2.86Å; N33-D36 VanDerWaalsContact O-N 3.09Å; P34-D36 VanDerWaalsContact C-N 3.33Å; D36-Q38 PolarHBondContact O-N 3.16Å; D36-Q38 PolarHBondContact OD1-N 2.92Å; D36-T39 PolarHBondContact O-N 2.82Å; D36-T39 PolarHBondContact OD1-N 3.04Å; D36-T39 VanDerWaalsContact OD2-CB 3.22Å; D36-T39 WeakPolarHBondContact OD2-CB 3.17Å; D36-T39 PolarHBondContact OD2-OG1 2.87Å
37	P	86.3	Confident	90.3	Very high	51 Å²	51	35.6 Å²	35.6	33%	0.331	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.5	179.7	31.5	-36.7	0	0	0	113.7	Y31	Y31-P37 HydrophobicContact CD2-CB 4.21Å; Y31-P37 HydrophobicContact CE1-CB 4.45Å; Y31-P37 HydrophobicContact CE2-CB 3.71Å
38	Q	85.9	Confident	90.2	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.154	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-25.3	177.6	-60.5	-66.5	0	0	0	112	D36 I40 E128 V130 I131	D36-Q38 PolarHBondContact O-N 3.16Å; D36-Q38 PolarHBondContact OD1-N 2.92Å; Q38-I40 PolarHBondContact O-N 2.76Å; Q38-E128 PolarHBondContact OE1-O 3.28Å; Q38-V130 CarbonylContact O-C 3.26Å; Q38-V130 WeakPolarHBondContact O-CA 3.26Å; Q38-V130 WeakPolarHBondContact O-CG1 3.47Å; Q38-I131 PolarHBondContact O-N 3.48Å; Q38-I131 VanDerWaalsContact O-O 3.1Å
39	T	89.2	Confident	89.9	Confident	30 Å²	30	39 Å²	39	18%	0.184	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106	173.9	-61.7	0	0	0	0	110	Y31 D36 I131 E133	Y31-T39 VanDerWaalsContact CB-O 3.24Å; Y31-T39 WeakPolarHBondContact CB-O 3.34Å; D36-T39 PolarHBondContact O-N 2.82Å; D36-T39 PolarHBondContact OD1-N 3.04Å; D36-T39 VanDerWaalsContact OD2-CB 3.22Å; D36-T39 WeakPolarHBondContact OD2-CB 3.17Å; D36-T39 PolarHBondContact OD2-OG1 2.87Å; T39-I131 CarbonylContact C-O 3.54Å; T39-I131 WeakPolarHBondContact CA-O 3.35Å; T39-E133 HydrophobicContact CG2-CB 3.86Å; T39-E133 HydrophobicContact CG2-CG 4.33Å
40	I	90.7	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.6	-173.8	71.9	179.3	0	0	0	110.6	A29 V30 Q38 C43 V130 I131 F132 E133 F179	A29-I40 HydrophobicContact CB-CB 4.3Å; A29-I40 HydrophobicContact CB-CD1 4.11Å; A29-I40 HydrophobicContact CB-CG2 3.86Å; V30-I40 WeakPolarHBondContact O-CA 3.36Å; V30-I40 WeakPolarHBondContact O-CB 3.5Å; Q38-I40 PolarHBondContact O-N 2.76Å; I40-C43 HydrophobicContact CD1-CB 3.76Å; I40-V130 HydrophobicContact CD1-CB 4.08Å; I40-V130 HydrophobicContact CD1-CG1 4.24Å; I40-V130 HydrophobicContact CG2-CG1 3.83Å; I40-I131 PolarHBondContact N-O 3.36Å; I40-F132 HydrophobicContact CD1-CD2 4.41Å; I40-F132 HydrophobicContact CG1-CD2 3.94Å; I40-F132 HydrophobicContact CG1-CE2 4.41Å; I40-F132 CarbonylContact O-C 3.37Å; I40-F132 WeakPolarHBondContact O-CA 3.42Å; I40-E133 PolarHBondContact O-N 3.42Å; I40-F179 HydrophobicContact CD1-CD1 4.35Å; I40-F179 HydrophobicContact CD1-CE1 3.66Å; I40-F179 HydrophobicContact CD1-CZ 3.92Å
41	S	90	Very high	88.9	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-103.3	-16.6	177.6	60.5	0	0	0	0	112.8	V30 F132	V30-S41 PolarHBondContact O-N 2.89Å; S41-F132 WeakPolarHBondContact O-CZ 3.37Å
42	E	92	Very high	87.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143.9	178.3	-161	176.6	129	0	0	110.9	A29 V30 Y44 L96 T156 R161	A29-E42 WeakPolarHBondContact CA-O 3.47Å; V30-E42 HydrophobicContact CB-CB 4.02Å; V30-E42 HydrophobicContact CG2-CB 4.07Å; V30-E42 PolarHBondContact N-O 3.36Å; V30-E42 PolarHBondContact O-N 2.81Å; E42-Y44 HydrophobicContact CG-CE2 4.11Å; E42-Y44 WeakPolarHBondContact OE1-CE2 3.3Å; E42-Y44 PolarHBondContact OE1-OH 3.32Å; E42-L96 WeakPolarHBondContact OE2-CD2 3.4Å; E42-T156 CarbonylContact C-O 3.59Å; E42-T156 WeakPolarHBondContact CA-O 3.5Å; E42-R161 IonicContact OE2-CZ 3.13Å; E42-R161 IonicContact OE2-NH1 3.26Å; E42-R161 PolarHBondContact OE2-NH1 3.02Å; E42-R161 IonicContact OE2-NH2 3.66Å; E42-R161 PolarHBondContact OE2-NH2 3.2Å; E42-R161 VanDerWaalsContact OE2-NH2 3.13Å
43	C	91.4	Very high	86.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.5	175.1	78.5	0	0	0	0	113.9	V27 L28 A29 I40 V155 T156 F179	V27-C43 HydrophobicContact CG1-CB 4.39Å; L28-C43 CarbonylContact O-C 3.56Å; L28-C43 VanDerWaalsContact O-CA 3.31Å; L28-C43 WeakPolarHBondContact O-CA 3.43Å; A29-C43 HydrophobicContact CB-CB 4.25Å; I40-C43 HydrophobicContact CD1-CB 3.76Å; C43-V155 CarbonylContact O-C 3.59Å; C43-V155 WeakPolarHBondContact O-CA 3.49Å; C43-T156 PolarHBondContact N-O 3.43Å; C43-T156 PolarHBondContact O-N 3.08Å; C43-T156 WeakPolarHBondContact SG-CB 3.08Å; C43-F179 HydrophobicContact CB-CZ 4.18Å; C43-F179 WeakPolarHBondContact SG-CE2 3.03Å; C43-F179 WeakPolarHBondContact SG-CZ 3.43Å
44	Y	92.1	Very high	84.9	Confident	37 Å²	37	49.9 Å²	49.9	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119	176.8	-60.6	-98.9	0	0	0	108.3	V27 L28 E42 M90 V155	V27-Y44 WeakPolarHBondContact CA-O 3.15Å; L28-Y44 PolarHBondContact N-O 2.88Å; L28-Y44 PolarHBondContact O-N 2.93Å; E42-Y44 HydrophobicContact CG-CE2 4.11Å; E42-Y44 WeakPolarHBondContact OE1-CE2 3.3Å; E42-Y44 PolarHBondContact OE1-OH 3.32Å; Y44-M90 HydrophobicContact CE1-CE 3.72Å; Y44-M90 HydrophobicContact CE1-SD 4.26Å; Y44-M90 VanDerWaalsContact OH-CE 3.26Å; Y44-M90 WeakPolarHBondContact OH-CE 3.3Å; Y44-M90 PolarHBondContact OH-SD 3.32Å; Y44-V155 HydrophobicContact CD1-CG1 4.47Å; Y44-V155 HydrophobicContact CD1-CG2 3.55Å; Y44-V155 HydrophobicContact CE1-CG1 4.21Å; Y44-V155 HydrophobicContact CE1-CG2 3.78Å; Y44-V155 HydrophobicContact CG-CG2 4.45Å
45	Q	91.6	Very high	82.8	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.7	-177.8	-56.8	175.6	47.2	0	0	109.4	M25 V26 V27 V153 K154	M25-Q45 HydrophobicContact SD-CB 4.44Å; V26-Q45 WeakPolarHBondContact O-CA 3.44Å; V27-Q45 HydrophobicContact CG2-CG 4.24Å; Q45-V153 WeakPolarHBondContact O-CA 3.4Å; Q45-K154 HydrophobicContact CB-CB 4.27Å; Q45-K154 PolarHBondContact N-O 3.08Å; Q45-K154 PolarHBondContact O-N 3.15Å
46	F	91.3	Very high	80.3	Confident	50 Å²	50	46.4 Å²	46.4	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.6	176.9	-57.4	-79.5	0	0	0	107.6	M25 V26 F48 F151 K152 V153	M25-F46 CarbonylContact C-O 3.59Å; M25-F46 WeakPolarHBondContact CA-O 3.47Å; M25-F46 WeakPolarHBondContact CG-O 3.24Å; V26-F46 HydrophobicContact CB-CB 4.14Å; V26-F46 HydrophobicContact CB-CD2 4.17Å; V26-F46 HydrophobicContact CG1-CD2 4.33Å; V26-F46 PolarHBondContact N-O 3.46Å; V26-F46 PolarHBondContact O-N 2.89Å; F46-F48 HydrophobicContact CB-CE2 3.83Å; F46-F48 HydrophobicContact CB-CZ 4.08Å; F46-F48 WeakPolarHBondContact O-CE2 3.02Å; F46-F151 HydrophobicContact CB-CE2 3.8Å; F46-F151 HydrophobicContact CB-CZ 4.48Å; F46-F151 HydrophobicContact CD1-CE1 4.44Å; F46-F151 AromaticContact CD1-CE2 3.53Å; F46-F151 HydrophobicContact CD1-CE2 3.53Å; F46-F151 AromaticContact CD1-CZ 3.33Å; F46-F151 HydrophobicContact CD1-CZ 3.33Å; F46-F151 AromaticContact CE1-CZ 3.93Å; F46-F151 HydrophobicContact CE1-CZ 3.93Å; F46-F151 HydrophobicContact CG-CE2 4.08Å; F46-F151 HydrophobicContact CG-CZ 4.3Å; F46-K152 CarbonylContact C-O 3.55Å; F46-K152 WeakPolarHBondContact CA-O 3.29Å; F46-V153 HydrophobicContact CD1-CG1 4.31Å; F46-V153 HydrophobicContact CD1-CG2 3.86Å; F46-V153 HydrophobicContact CE1-CG1 4Å; F46-V153 HydrophobicContact CE1-CG2 4Å
47	K	88.6	Confident	78	Confident	18 Å²	18	50 Å²	50	8%	0.078	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.2	178.1	-60.5	-164.4	177.4	-155.9	0	110.1	M25 F151 K152	M25-K47 HydrophobicContact CE-CD 3.97Å; M25-K47 VanDerWaalsContact CE-CE 3.41Å; M25-K47 HydrophobicContact CE-CG 3.97Å; M25-K47 HydrophobicContact CG-CG 4.01Å; M25-K47 HydrophobicContact SD-CG 4.23Å; K47-F151 WeakPolarHBondContact O-CA 3.22Å; K47-K152 HydrophobicContact CB-CB 4.34Å; K47-K152 PolarHBondContact N-O 3.49Å; K47-K152 PolarHBondContact O-N 2.94Å
48	F	88.9	Confident	75.4	Confident	25 Å²	25	52.7 Å²	52.7	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.7	-178.5	-59.2	-90.4	0	0	0	109.5	L18 L23 R24 V26 F46 Y50 Y109 I150 F151	L18-F48 HydrophobicContact CD1-CB 4.45Å; L18-F48 HydrophobicContact CD1-CD1 3.39Å; L18-F48 HydrophobicContact CD1-CE1 3.64Å; L18-F48 HydrophobicContact CD1-CG 3.89Å; L18-F48 HydrophobicContact CD1-CZ 4.33Å; L23-F48 HydrophobicContact CD2-CD2 4.2Å; L23-F48 HydrophobicContact CD2-CE2 3.98Å; L23-F48 HydrophobicContact CD2-CZ 4.48Å; L23-F48 HydrophobicContact CG-CD2 4.14Å; L23-F48 HydrophobicContact CG-CE2 4.35Å; L23-F48 WeakPolarHBondContact O-CB 3.47Å; R24-F48 PolarHBondContact O-N 2.78Å; V26-F48 HydrophobicContact CG2-CE2 3.88Å; F46-F48 HydrophobicContact CB-CE2 3.83Å; F46-F48 HydrophobicContact CB-CZ 4.08Å; F46-F48 WeakPolarHBondContact O-CE2 3.02Å; F48-Y50 HydrophobicContact CB-CE2 4.48Å; F48-Y109 PolarHBondContact O-OH 3.13Å; F48-I150 WeakPolarHBondContact CA-O 3.27Å; F48-F151 AromaticContact CD1-CD2 3.95Å; F48-F151 HydrophobicContact CD1-CD2 3.95Å; F48-F151 AromaticContact CE1-CD2 3.4Å; F48-F151 HydrophobicContact CE1-CD2 3.4Å; F48-F151 AromaticContact CE1-CE2 3.78Å; F48-F151 HydrophobicContact CE1-CE2 3.78Å; F48-F151 HydrophobicContact CE1-CG 4.5Å; F48-F151 AromaticContact CZ-CD2 3.77Å; F48-F151 HydrophobicContact CZ-CD2 3.77Å; F48-F151 AromaticContact CZ-CE2 3.7Å; F48-F151 HydrophobicContact CZ-CE2 3.7Å
49	K	85.6	Confident	73.1	Confident	93 Å²	93	59.7 Å²	59.7	40%	0.404	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.6	165.9	-68.3	-170.5	174.5	-168	0	108.7	H149 I150 D187	K49-H149 CarbonylContact O-C 3.55Å; K49-H149 VanDerWaalsContact O-CA 3.23Å; K49-H149 WeakPolarHBondContact O-CA 3.23Å; K49-I150 HydrophobicContact CB-CB 4.38Å; K49-I150 PolarHBondContact N-O 3.11Å; K49-I150 PolarHBondContact O-N 3.43Å; K49-D187 WeakPolarHBondContact CE-OD2 3.19Å; K49-D187 IonicContact NZ-OD2 3.25Å
50	Y	84.3	Confident	70.9	Confident	44 Å²	44	65 Å²	65	17%	0.173	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.8	-179.2	-63.7	-91.4	0	0	0	109.6	L18 K21 L23 F48 Y109 H149	L18-Y50 PolarHBondContact O-OH 3.31Å; K21-Y50 VanDerWaalsContact CA-CZ 3.48Å; K21-Y50 HydrophobicContact CB-CD1 3.83Å; K21-Y50 HydrophobicContact CB-CD2 4.48Å; K21-Y50 HydrophobicContact CB-CE1 3.78Å; K21-Y50 HydrophobicContact CB-CE2 4.39Å; K21-Y50 HydrophobicContact CB-CG 4.24Å; K21-Y50 HydrophobicContact CD-CD1 4.17Å; K21-Y50 HydrophobicContact CG-CD1 3.71Å; K21-Y50 HydrophobicContact CG-CE1 3.81Å; K21-Y50 HydrophobicContact CG-CG 4.46Å; L23-Y50 VanDerWaalsContact O-CE2 3.25Å; L23-Y50 WeakPolarHBondContact O-CE2 3.45Å; L23-Y50 PolarHBondContact O-OH 3.39Å; F48-Y50 HydrophobicContact CB-CE2 4.48Å; Y50-Y109 HydrophobicContact CD2-CD2 4.25Å; Y50-Y109 AromaticContact CD2-CE2 3.72Å; Y50-Y109 HydrophobicContact CD2-CE2 3.72Å; Y50-Y109 HydrophobicContact CE2-CD2 4.04Å; Y50-Y109 AromaticContact CE2-CE2 3.66Å; Y50-Y109 HydrophobicContact CE2-CE2 3.66Å; Y50-H149 AromaticContact CD1-CD2 3.01Å; Y50-H149 WeakPolarHBondContact CD1-CD2 3.38Å; Y50-H149 AromaticContact CD1-NE2 3.03Å; Y50-H149 WeakPolarHBondContact CD1-NE2 3.35Å; Y50-H149 AromaticContact CE1-CD2 3.18Å; Y50-H149 WeakPolarHBondContact CE1-CD2 3.4Å; Y50-H149 AromaticContact CE1-NE2 3.06Å; Y50-H149 WeakPolarHBondContact CE1-NE2 3.42Å; Y50-H149 AromaticContact CG-CD2 3.87Å
51	T	79.3	Confident	68.3	Low	42 Å²	42	68.6 Å²	68.6	26%	0.258	35%	0.351	S	S	.	.			trans	-81.5	152.8	170.7	67.7	0	0	0	0	109.9	N53 G54 P147 F148	T51-N53 PolarHBondContact O-N 2.71Å; T51-G54 PolarHBondContact O-N 3.14Å; T51-P147 PolarHBondContact OG1-O 3.31Å; T51-F148 PolarHBondContact N-O 3.48Å; T51-F148 WeakPolarHBondContact OG1-CA 3.48Å; T51-F148 PolarHBondContact OG1-O 2.77Å
52	N	69.6	Low	66.1	Low	171 Å²	171	78.2 Å²	78.2	91%	0.914	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.2	176.5	-66.6	-18.1	0	0	0	112.8	G54	N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 3.31Å
53	N	61.7	Low	63.7	Low	128 Å²	128	84.8 Å²	84.8	68%	0.684	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.2	179.4	-65.6	-12.2	0	0	0	113.3	T51	T51-N53 PolarHBondContact O-N 2.71Å
54	G	57.6	Low	61.7	Low	3 Å²	3	93.6 Å²	93.6	3%	0.031	47%	0.469	C	S	.	.			trans	57.8	-179.9	-176.5	0	0	0	0	0	113.9	K21 T51 N52 L56 F148	K21-G54 VanDerWaalsContact NZ-CA 3.32Å; T51-G54 PolarHBondContact O-N 3.14Å; N52-G54 VanDerWaalsContact C-N 3.32Å; N52-G54 PolarHBondContact O-N 3.31Å; G54-L56 PolarHBondContact O-N 2.92Å; G54-F148 WeakPolarHBondContact O-CD1 3.18Å
55	P	44.6	Very low	59.5	Low	59 Å²	59	95.7 Å²	95.7	38%	0.383	49%	0.489	S	S	.	.			trans	-69.1	101.7	173.8	27.8	-31.3	0	0	0	111.8	M57 F148	P55-M57 VanDerWaalsContact C-N 3.28Å; P55-M57 PolarHBondContact O-N 3.25Å; P55-F148 VanDerWaalsContact CA-CG 3.44Å; P55-F148 HydrophobicContact CB-CB 4.29Å; P55-F148 HydrophobicContact CB-CD2 4.22Å; P55-F148 HydrophobicContact CB-CG 4.14Å
56	L	39.4	Very low	57.3	Low	121 Å²	121	101.4 Å²	101.4	63%	0.634	52%	0.519	S	S	*	.			trans	-73.1	87.3	160.8	-70.4	163.5	0	0	0	108.1	G54 D58 F148	G54-L56 PolarHBondContact O-N 2.92Å; L56-D58 PolarHBondContact O-N 3.07Å; L56-F148 HydrophobicContact CB-CE1 3.57Å; L56-F148 HydrophobicContact CB-CZ 3.88Å; L56-F148 HydrophobicContact CG-CE1 4.29Å; L56-F148 WeakPolarHBondContact O-CZ 3.4Å
57	M	37.5	Very low	55.3	Low	132 Å²	132	106.8 Å²	106.8	65%	0.65	55%	0.545	S	S	*	.			trans	-79.1	69.8	171.9	-148.3	-165.2	-58.6	0	0	109	P55 F59	P55-M57 VanDerWaalsContact C-N 3.28Å; P55-M57 PolarHBondContact O-N 3.25Å; M57-F59 HydrophobicContact CG-CD2 3.86Å; M57-F59 HydrophobicContact CG-CE2 3.74Å; M57-F59 PolarHBondContact O-N 2.86Å; M57-F59 HydrophobicContact SD-CD2 4.05Å; M57-F59 HydrophobicContact SD-CE2 3.68Å
58	D	33.3	Very low	53.5	Low	109 Å²	109	109.4 Å²	109.4	58%	0.583	57%	0.566	S	S	*	*			trans	-85.7	92.1	175.8	-161.4	0	0	0	0	109.9	L56 I60	L56-D58 PolarHBondContact O-N 3.07Å; D58-I60 PolarHBondContact O-N 2.8Å; D58-I60 PolarHBondContact OD1-N 2.84Å
59	F	37.3	Very low	51.4	Low	180 Å²	180	110.8 Å²	110.8	79%	0.789	58%	0.579	S	S	*	*			trans	-76	0.8	170.5	-92	-89.6	0	0	0	112.3	M57	M57-F59 HydrophobicContact CG-CD2 3.86Å; M57-F59 HydrophobicContact CG-CE2 3.74Å; M57-F59 PolarHBondContact O-N 2.86Å; M57-F59 HydrophobicContact SD-CD2 4.05Å; M57-F59 HydrophobicContact SD-CE2 3.68Å
60	I	41.4	Very low	49.5	Very low	142 Å²	142	112.5 Å²	112.5	73%	0.728	59%	0.59	S	S	*	*			trans	-136.2	64.6	-172.1	-41.7	179.2	0	0	0	111.7	D58	D58-I60 PolarHBondContact O-N 2.8Å; D58-I60 PolarHBondContact OD1-N 2.84Å
61	S	37.8	Very low	48.4	Very low	75 Å²	75	114.6 Å²	114.6	52%	0.524	60%	0.603	S	S	.	*			trans	-107	88.9	162.6	78.8	0	0	0	0	110.8	N63	S61-N63 PolarHBondContact O-N 2.84Å
62	K	42.2	Very low	47.5	Very low	207 Å²	207	115.8 Å²	115.8	90%	0.9	61%	0.614	S	S	*	*			trans	-70.8	3.8	162.6	-99.4	-175.2	-179.9	179	0	113.3
63	N	42.5	Very low	47.4	Very low	142 Å²	142	110.6 Å²	110.6	76%	0.759	59%	0.588	S	S	*	*	S	Bend	trans	-118.6	105.6	175.3	-70.3	-20.5	0	0	0	109.6	S61 S65	S61-N63 PolarHBondContact O-N 2.84Å; N63-S65 PolarHBondContact O-N 2.86Å; N63-S65 VanDerWaalsContact O-N 3.14Å
64	Q	50.3	Low	48.3	Very low	186 Å²	186	108.6 Å²	108.6	87%	0.869	58%	0.577	S	S	*	*			trans	-60	108.9	168.9	-84.2	175.8	-6.3	0	0	109.9
65	S	44.5	Very low	49.7	Very low	80 Å²	80	109.8 Å²	109.8	56%	0.559	58%	0.584	S	S	*	*			trans	-98.2	123.4	144.2	58	0	0	0	0	107.5	N63 E67	N63-S65 PolarHBondContact O-N 2.86Å; N63-S65 VanDerWaalsContact O-N 3.14Å; S65-E67 PolarHBondContact O-N 2.9Å
66	N	45.9	Very low	51.7	Low	123 Å²	123	114 Å²	114	66%	0.658	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-1.5	-173.9	-94.1	-12.2	0	0	0	116.3	S69	N66-S69 PolarHBondContact O-OG 2.9Å; N66-S69 VanDerWaalsContact O-OG 3.11Å
67	E	49.3	Very low	54	Low	162 Å²	162	114.4 Å²	114.4	76%	0.757	59%	0.593	S	S	*	*	H	α-helix	trans	-80.9	-34.7	-177.4	-64	-138.9	154.7	0	0	113.9	S65 S69 M70 L71	S65-E67 PolarHBondContact O-N 2.9Å; E67-S69 PolarHBondContact O-N 3.22Å; E67-M70 PolarHBondContact O-N 2.9Å; E67-L71 PolarHBondContact O-N 2.85Å; E67-L71 VanDerWaalsContact O-N 3.15Å
68	S	49.8	Very low	56.4	Low	74 Å²	74	109.7 Å²	109.7	52%	0.517	58%	0.575	S	S	.	*	H	α-helix	trans	-72.8	-29.2	-179.3	62.7	0	0	0	0	112.9	S72	S68-S72 VanDerWaalsContact O-CB 3.31Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.03Å; S68-S72 VanDerWaalsContact O-N 3.14Å; S68-S72 PolarHBondContact O-OG 2.8Å
69	S	46.4	Very low	59	Low	54 Å²	54	106.5 Å²	106.5	38%	0.378	56%	0.561	S	S	.	*	H	α-helix	trans	-72.1	-39	175.3	64.5	0	0	0	0	111.9	N66 E67 S72 T73	N66-S69 PolarHBondContact O-OG 2.9Å; N66-S69 VanDerWaalsContact O-OG 3.11Å; E67-S69 PolarHBondContact O-N 3.22Å; S69-S72 PolarHBondContact O-OG 3.47Å; S69-S72 VanDerWaalsContact O-OG 3.05Å; S69-T73 WeakPolarHBondContact O-CG2 3.3Å; S69-T73 PolarHBondContact O-N 3.44Å
70	M	46	Very low	61.6	Low	128 Å²	128	101.1 Å²	101.1	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-50.5	174.7	-72	-93.6	123.5	0	0	111.2	E67 S72 T73 D74	E67-M70 PolarHBondContact O-N 2.9Å; M70-S72 PolarHBondContact O-N 3.06Å; M70-T73 PolarHBondContact O-N 3.23Å; M70-T73 PolarHBondContact O-OG1 3.29Å; M70-D74 PolarHBondContact O-N 3.43Å
71	L	59.3	Low	63.9	Low	88 Å²	88	98.7 Å²	98.7	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-35.8	-177	-147.4	89.5	0	0	0	113.7	E67 D74 T75 P147	E67-L71 PolarHBondContact O-N 2.85Å; E67-L71 VanDerWaalsContact O-N 3.15Å; L71-D74 PolarHBondContact O-N 3.49Å; L71-T75 PolarHBondContact O-N 3.3Å; L71-T75 PolarHBondContact O-OG1 3.3Å; L71-P147 HydrophobicContact CD2-CB 4.06Å; L71-P147 HydrophobicContact CD2-CG 3.59Å
72	S	61.2	Low	66.4	Low	68 Å²	68	95.7 Å²	95.7	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-69.4	-35.4	176.3	60.5	0	0	0	0	112.4	S68 S69 M70 D74 T75 K76	S68-S72 VanDerWaalsContact O-CB 3.31Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.03Å; S68-S72 VanDerWaalsContact O-N 3.14Å; S68-S72 PolarHBondContact O-OG 2.8Å; S69-S72 PolarHBondContact O-OG 3.47Å; S69-S72 VanDerWaalsContact O-OG 3.05Å; M70-S72 PolarHBondContact O-N 3.06Å; S72-D74 VanDerWaalsContact C-N 3.32Å; S72-D74 PolarHBondContact O-N 3.18Å; S72-T75 PolarHBondContact O-N 2.73Å; S72-K76 WeakPolarHBondContact O-CB 3.25Å; S72-K76 PolarHBondContact O-N 3.27Å
73	T	68.3	Low	68.8	Low	62 Å²	62	91.3 Å²	91.3	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-66.1	-36.1	174.6	64.5	0	0	0	0	112.2	S69 M70 K76 K77	S69-T73 WeakPolarHBondContact O-CG2 3.3Å; S69-T73 PolarHBondContact O-N 3.44Å; M70-T73 PolarHBondContact O-N 3.23Å; M70-T73 PolarHBondContact O-OG1 3.29Å; T73-K76 PolarHBondContact O-N 3.19Å; T73-K77 VanDerWaalsContact O-CG 3.31Å; T73-K77 WeakPolarHBondContact O-CG 3.13Å; T73-K77 PolarHBondContact O-N 3.42Å
74	D	80.6	Confident	71.1	Confident	85 Å²	85	92.1 Å²	92.1	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-74.5	-38.9	178.2	-67.8	-24.8	0	0	0	112.1	M70 L71 S72 K76 K77 A78	M70-D74 PolarHBondContact O-N 3.43Å; L71-D74 PolarHBondContact O-N 3.49Å; S72-D74 VanDerWaalsContact C-N 3.32Å; S72-D74 PolarHBondContact O-N 3.18Å; D74-K76 VanDerWaalsContact C-N 3.31Å; D74-K76 PolarHBondContact O-N 3.09Å; D74-K77 PolarHBondContact O-N 2.88Å; D74-K77 IonicContact OD1-NZ 3.3Å; D74-K77 PolarHBondContact OD1-NZ 3.43Å; D74-A78 WeakPolarHBondContact O-CB 3.48Å; D74-A78 PolarHBondContact O-N 3.47Å
75	T	85.5	Confident	73	Confident	29 Å²	29	88 Å²	88	18%	0.178	46%	0.463	C	S	.	.	H	α-helix	trans	-57.4	-44.9	170.4	-57.5	0	0	0	0	111.1	L71 S72 A78 S79 V144 S145 T146	L71-T75 PolarHBondContact O-N 3.3Å; L71-T75 PolarHBondContact O-OG1 3.3Å; S72-T75 PolarHBondContact O-N 2.73Å; T75-A78 PolarHBondContact O-N 3.01Å; T75-S79 WeakPolarHBondContact O-CB 3.12Å; T75-S79 PolarHBondContact O-N 2.85Å; T75-S79 PolarHBondContact O-OG 3.04Å; T75-V144 HydrophobicContact CG2-CG1 4.08Å; T75-S145 PolarHBondContact OG1-O 3.32Å; T75-T146 HydrophobicContact CG2-CG2 3.8Å
76	K	86.6	Confident	75.1	Confident	146 Å²	146	86.7 Å²	86.7	64%	0.635	45%	0.449	S	S	*	.	H	α-helix	trans	-62.7	-46.6	177.9	-177.8	178.6	179.2	178.9	0	111.6	S72 T73 D74 S79 I80	S72-K76 WeakPolarHBondContact O-CB 3.25Å; S72-K76 PolarHBondContact O-N 3.27Å; T73-K76 PolarHBondContact O-N 3.19Å; D74-K76 VanDerWaalsContact C-N 3.31Å; D74-K76 PolarHBondContact O-N 3.09Å; K76-S79 PolarHBondContact O-N 2.93Å; K76-I80 HydrophobicContact CG-CD1 4.02Å; K76-I80 VanDerWaalsContact O-CG1 3.3Å; K76-I80 WeakPolarHBondContact O-CG1 3.47Å; K76-I80 PolarHBondContact O-N 3.37Å
77	K	88.3	Confident	77.2	Confident	130 Å²	130	87.8 Å²	87.8	57%	0.565	45%	0.445	S	S	*	.	H	α-helix	trans	-61.2	-45.9	176.7	-71.7	169.3	-167.7	159.7	0	111.4	T73 D74 S79 I80 L81	T73-K77 VanDerWaalsContact O-CG 3.31Å; T73-K77 WeakPolarHBondContact O-CG 3.13Å; T73-K77 PolarHBondContact O-N 3.42Å; D74-K77 PolarHBondContact O-N 2.88Å; D74-K77 IonicContact OD1-NZ 3.3Å; D74-K77 PolarHBondContact OD1-NZ 3.43Å; K77-S79 VanDerWaalsContact C-N 3.32Å; K77-S79 PolarHBondContact O-N 3.18Å; K77-I80 PolarHBondContact O-N 3.45Å; K77-L81 WeakPolarHBondContact O-CB 3.45Å; K77-L81 PolarHBondContact O-N 3.18Å
78	A	87.4	Confident	79.2	Confident	33 Å²	33	84 Å²	84	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-41.8	177.2	0	0	0	0	0	111.5	D74 T75 L81 L82 V144	D74-A78 WeakPolarHBondContact O-CB 3.48Å; D74-A78 PolarHBondContact O-N 3.47Å; T75-A78 PolarHBondContact O-N 3.01Å; A78-L81 PolarHBondContact O-N 3.07Å; A78-L82 WeakPolarHBondContact O-CB 3.21Å; A78-L82 PolarHBondContact O-N 3.01Å; A78-V144 HydrophobicContact CB-CG1 4.37Å; A78-V144 HydrophobicContact CB-CG2 4.16Å
79	S	89.3	Confident	81	Confident	42 Å²	42	81.3 Å²	81.3	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-45.2	176.3	-57.9	0	0	0	0	112.1	T75 K76 K77 L81 L82 I83	T75-S79 WeakPolarHBondContact O-CB 3.12Å; T75-S79 PolarHBondContact O-N 2.85Å; T75-S79 PolarHBondContact O-OG 3.04Å; K76-S79 PolarHBondContact O-N 2.93Å; K77-S79 VanDerWaalsContact C-N 3.32Å; K77-S79 PolarHBondContact O-N 3.18Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 3.15Å; S79-L82 PolarHBondContact O-N 3.11Å; S79-I83 WeakPolarHBondContact O-CG1 3.42Å; S79-I83 PolarHBondContact O-N 3.31Å
80	I	91	Very high	83	Confident	67 Å²	67	82.1 Å²	82.1	34%	0.344	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-43.7	175.5	-69.7	165.8	0	0	0	110.5	K76 K77 L82 I83 R84	K76-I80 HydrophobicContact CG-CD1 4.02Å; K76-I80 VanDerWaalsContact O-CG1 3.3Å; K76-I80 WeakPolarHBondContact O-CG1 3.47Å; K76-I80 PolarHBondContact O-N 3.37Å; K77-I80 PolarHBondContact O-N 3.45Å; I80-L82 VanDerWaalsContact C-N 3.34Å; I80-I83 PolarHBondContact O-N 3.16Å; I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.25Å
81	L	90.3	Very high	85	Confident	92 Å²	92	81.1 Å²	81.1	48%	0.482	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-42.1	178	-177.1	62.4	0	0	0	111.3	K77 A78 S79 R84 K85	K77-L81 WeakPolarHBondContact O-CB 3.45Å; K77-L81 PolarHBondContact O-N 3.18Å; A78-L81 PolarHBondContact O-N 3.07Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 3.15Å; L81-R84 PolarHBondContact O-N 3.44Å; L81-K85 WeakPolarHBondContact O-CG 3.43Å; L81-K85 PolarHBondContact O-N 2.89Å
82	L	89.5	Confident	86.4	Confident	12 Å²	12	78.3 Å²	78.3	6%	0.063	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-47.2	176.8	-178.3	66.3	0	0	0	111.4	A78 S79 I80 R84 K85 I86 V141 V144 F151 V153	A78-L82 WeakPolarHBondContact O-CB 3.21Å; A78-L82 PolarHBondContact O-N 3.01Å; S79-L82 PolarHBondContact O-N 3.11Å; I80-L82 VanDerWaalsContact C-N 3.34Å; L82-R84 VanDerWaalsContact C-N 3.3Å; L82-R84 PolarHBondContact O-N 3.43Å; L82-K85 PolarHBondContact O-N 3.26Å; L82-I86 HydrophobicContact CG-CD1 4.2Å; L82-I86 WeakPolarHBondContact O-CG1 3Å; L82-I86 PolarHBondContact O-N 3.35Å; L82-V141 HydrophobicContact CD1-CB 4.45Å; L82-V141 HydrophobicContact CD1-CG1 3.97Å; L82-V144 HydrophobicContact CB-CG2 4.1Å; L82-V144 HydrophobicContact CD2-CG2 3.76Å; L82-F151 HydrophobicContact CD2-CD1 4Å; L82-F151 HydrophobicContact CD2-CE1 3.7Å; L82-V153 HydrophobicContact CD1-CB 4.35Å; L82-V153 HydrophobicContact CD1-CG2 4.21Å; L82-V153 HydrophobicContact CD2-CG2 3.84Å; L82-V153 HydrophobicContact CG-CG2 4.5Å
83	I	92.2	Very high	87.7	Confident	115 Å²	115	76 Å²	76	59%	0.59	37%	0.369	S	S	*	.	H	α-helix	trans	-59.1	-42.9	176.7	-68	166.4	0	0	0	110.7	S79 I80 I86 Y87	S79-I83 WeakPolarHBondContact O-CG1 3.42Å; S79-I83 PolarHBondContact O-N 3.31Å; I80-I83 PolarHBondContact O-N 3.16Å; I83-I86 PolarHBondContact O-N 3.41Å; I83-Y87 WeakPolarHBondContact O-CB 3.41Å; I83-Y87 PolarHBondContact O-N 3.38Å
84	R	91.8	Very high	88.6	Confident	159 Å²	159	73.3 Å²	73.3	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-62.7	-42.3	176	-75.5	176	176.4	163.2	-1.3	112.4	I80 L81 L82 Y87 I88	I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.25Å; L81-R84 PolarHBondContact O-N 3.44Å; L82-R84 VanDerWaalsContact C-N 3.3Å; L82-R84 PolarHBondContact O-N 3.43Å; R84-Y87 PolarHBondContact O-N 3.47Å; R84-I88 WeakPolarHBondContact O-CG1 3.3Å; R84-I88 PolarHBondContact O-N 3.3Å
85	K	89.3	Confident	88.9	Confident	98 Å²	98	74.5 Å²	74.5	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176	-73.5	-177.3	-179.9	-175.2	0	111.8	L81 L82 L89 V141	L81-K85 WeakPolarHBondContact O-CG 3.43Å; L81-K85 PolarHBondContact O-N 2.89Å; L82-K85 PolarHBondContact O-N 3.26Å; K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.1Å; K85-L89 PolarHBondContact O-N 3.34Å; K85-V141 HydrophobicContact CB-CG1 3.94Å; K85-V141 WeakPolarHBondContact CD-O 3.06Å
86	I	89.3	Confident	88.9	Confident	54 Å²	54	76.5 Å²	76.5	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-48.7	173.8	-66.7	168	0	0	0	109.7	L82 I83 I88 L89 M90 V141	L82-I86 HydrophobicContact CG-CD1 4.2Å; L82-I86 WeakPolarHBondContact O-CG1 3Å; L82-I86 PolarHBondContact O-N 3.35Å; I83-I86 PolarHBondContact O-N 3.41Å; I86-I88 PolarHBondContact O-N 2.97Å; I86-L89 WeakPolarHBondContact O-CB 3.37Å; I86-L89 PolarHBondContact O-N 3.28Å; I86-L89 VanDerWaalsContact O-N 3.17Å; I86-M90 HydrophobicContact CG2-CG 4.21Å; I86-M90 VanDerWaalsContact O-CG 3.27Å; I86-M90 WeakPolarHBondContact O-CG 3.26Å; I86-M90 PolarHBondContact O-N 2.89Å; I86-V141 HydrophobicContact CG1-CG1 3.68Å
87	Y	90.6	Very high	88.9	Confident	145 Å²	145	72.3 Å²	72.3	57%	0.569	36%	0.363	S	S	*	.	H	α-helix	trans	-56.7	-50.8	179.3	177.3	-96.9	0	0	0	112.2	I83 R84 L89 M90 Q91	I83-Y87 WeakPolarHBondContact O-CB 3.41Å; I83-Y87 PolarHBondContact O-N 3.38Å; R84-Y87 PolarHBondContact O-N 3.47Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.45Å; Y87-M90 PolarHBondContact O-N 3.44Å; Y87-Q91 HydrophobicContact CD1-CG 4.43Å; Y87-Q91 HydrophobicContact CE1-CG 4.05Å; Y87-Q91 VanDerWaalsContact CE1-OE1 3.23Å; Y87-Q91 WeakPolarHBondContact O-CG 3.31Å; Y87-Q91 PolarHBondContact O-N 3.3Å; Y87-Q91 PolarHBondContact OH-NE2 3.12Å
88	I	90.1	Very high	88.5	Confident	83 Å²	83	73.9 Å²	73.9	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.1	-66.8	167.2	0	0	0	110.3	R84 I86 M90 Q91 N92	R84-I88 WeakPolarHBondContact O-CG1 3.3Å; R84-I88 PolarHBondContact O-N 3.3Å; I86-I88 PolarHBondContact O-N 2.97Å; I88-M90 VanDerWaalsContact C-N 3.35Å; I88-M90 PolarHBondContact O-N 2.92Å; I88-Q91 WeakPolarHBondContact O-CB 3.44Å; I88-Q91 PolarHBondContact O-N 3.21Å; I88-N92 PolarHBondContact O-N 2.66Å; I88-N92 PolarHBondContact O-ND2 2.93Å
89	L	88.4	Confident	88.6	Confident	18 Å²	18	78.7 Å²	78.7	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-56.7	-49.5	176.2	175	59.4	0	0	0	111.2	K85 I86 Y87 Q91 N92 L93 L139 V141 V155 M162	K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.1Å; K85-L89 PolarHBondContact O-N 3.34Å; I86-L89 WeakPolarHBondContact O-CB 3.37Å; I86-L89 PolarHBondContact O-N 3.28Å; I86-L89 VanDerWaalsContact O-N 3.17Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.45Å; L89-Q91 PolarHBondContact O-N 3.26Å; L89-N92 PolarHBondContact O-N 2.98Å; L89-L93 HydrophobicContact CD1-CG 4.46Å; L89-L93 HydrophobicContact CG-CD1 4.4Å; L89-L93 PolarHBondContact O-N 2.86Å; L89-L139 HydrophobicContact CD1-CD1 3.43Å; L89-L139 VanDerWaalsContact CD1-CD1 3.43Å; L89-L139 HydrophobicContact CD2-CD1 4.1Å; L89-L139 HydrophobicContact CG-CD1 4.39Å; L89-V141 HydrophobicContact CD2-CG2 3.87Å; L89-V155 HydrophobicContact CD2-CB 4Å; L89-V155 HydrophobicContact CD2-CG1 4.17Å; L89-V155 HydrophobicContact CD2-CG2 3.87Å; L89-M162 HydrophobicContact CD1-CE 3.51Å; L89-M162 HydrophobicContact CD1-SD 4.2Å
90	M	88.4	Confident	88.7	Confident	70 Å²	70	79.4 Å²	79.4	35%	0.345	40%	0.401	S	S	.	.	H	α-helix	trans	-60.7	-32.3	179.2	-63.1	-58.4	97	0	0	112.6	Y44 I86 Y87 I88 N92 L93	Y44-M90 HydrophobicContact CE1-CE 3.72Å; Y44-M90 HydrophobicContact CE1-SD 4.26Å; Y44-M90 VanDerWaalsContact OH-CE 3.26Å; Y44-M90 WeakPolarHBondContact OH-CE 3.3Å; Y44-M90 PolarHBondContact OH-SD 3.32Å; I86-M90 HydrophobicContact CG2-CG 4.21Å; I86-M90 VanDerWaalsContact O-CG 3.27Å; I86-M90 WeakPolarHBondContact O-CG 3.26Å; I86-M90 PolarHBondContact O-N 2.89Å; Y87-M90 PolarHBondContact O-N 3.44Å; I88-M90 VanDerWaalsContact C-N 3.35Å; I88-M90 PolarHBondContact O-N 2.92Å; M90-N92 VanDerWaalsContact C-N 3.26Å; M90-N92 PolarHBondContact O-N 3.47Å; M90-L93 HydrophobicContact CE-CD1 3.56Å; M90-L93 PolarHBondContact O-N 2.88Å; M90-L93 HydrophobicContact SD-CD1 4.27Å
91	Q	88.3	Confident	88.7	Confident	107 Å²	107	78 Å²	78	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-70.2	-21.7	176	-70.3	-174.9	-54.5	0	0	113.8	Y87 I88 L89	Y87-Q91 HydrophobicContact CD1-CG 4.43Å; Y87-Q91 HydrophobicContact CE1-CG 4.05Å; Y87-Q91 VanDerWaalsContact CE1-OE1 3.23Å; Y87-Q91 WeakPolarHBondContact O-CG 3.31Å; Y87-Q91 PolarHBondContact O-N 3.3Å; Y87-Q91 PolarHBondContact OH-NE2 3.12Å; I88-Q91 WeakPolarHBondContact O-CB 3.44Å; I88-Q91 PolarHBondContact O-N 3.21Å; L89-Q91 PolarHBondContact O-N 3.26Å
92	N	87.8	Confident	88.8	Confident	30 Å²	30	75.8 Å²	75.8	16%	0.16	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.9	-179.2	-67.5	-68.3	0	0	0	112.6	I88 L89 M90 M162 E163 N164	I88-N92 PolarHBondContact O-N 2.66Å; I88-N92 PolarHBondContact O-ND2 2.93Å; L89-N92 PolarHBondContact O-N 2.98Å; M90-N92 VanDerWaalsContact C-N 3.26Å; M90-N92 PolarHBondContact O-N 3.47Å; N92-M162 HydrophobicContact CB-CE 3.71Å; N92-M162 WeakPolarHBondContact O-CG 2.83Å; N92-E163 PolarHBondContact O-N 3.5Å; N92-N164 HydrophobicContact CB-CB 4.41Å; N92-N164 WeakPolarHBondContact OD1-CB 3.31Å; N92-N164 PolarHBondContact OD1-O 3.27Å; N92-N164 VanDerWaalsContact OD1-O 3.09Å
93	L	88.2	Confident	88.9	Confident	20 Å²	20	76.7 Å²	76.7	11%	0.105	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-91.6	131.8	172.9	-66.8	174.1	0	0	0	109.6	L89 M90 T157 R161 M162	L89-L93 HydrophobicContact CD1-CG 4.46Å; L89-L93 HydrophobicContact CG-CD1 4.4Å; L89-L93 PolarHBondContact O-N 2.86Å; M90-L93 HydrophobicContact CE-CD1 3.56Å; M90-L93 PolarHBondContact O-N 2.88Å; M90-L93 HydrophobicContact SD-CD1 4.27Å; L93-T157 HydrophobicContact CD2-CG2 3.8Å; L93-R161 CarbonylContact C-O 3.47Å; L93-R161 WeakPolarHBondContact CA-O 3.13Å; L93-M162 HydrophobicContact CD2-CG 4.29Å; L93-M162 HydrophobicContact CD2-SD 4.36Å
94	G	87.6	Confident	88.9	Confident	5 Å²	5	72.2 Å²	72.2	5%	0.052	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-62.9	161.6	169.2	0	0	0	0	0	111.7	R161 E163	G94-R161 PolarHBondContact N-O 2.88Å; G94-R161 PolarHBondContact O-NH2 2.97Å; G94-E163 VanDerWaalsContact CA-CD 3.5Å; G94-E163 WeakPolarHBondContact CA-OE1 3.5Å
95	P	87.6	Confident	88.9	Confident	109 Å²	109	66.7 Å²	66.7	71%	0.708	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-56.3	146.8	-176.1	25.1	-34.3	0	0	0	111.6	R161	P95-R161 PolarHBondContact O-NE 2.81Å
96	L	85.9	Confident	89	Confident	71 Å²	71	63 Å²	63	37%	0.372	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.7	166.9	-80.8	167.9	0	0	0	109.9	V30 E42 V100	V30-L96 HydrophobicContact CG1-CD2 3.96Å; E42-L96 WeakPolarHBondContact OE2-CD2 3.4Å; L96-V100 HydrophobicContact CB-CG1 4.42Å; L96-V100 HydrophobicContact CD2-CG1 4.5Å
97	P	84.9	Confident	89.1	Confident	58 Å²	58	62.3 Å²	62.3	38%	0.377	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-53	155.2	169.1	-24.6	34.1	0	0	0	112.1	T32 D99 V100	T32-P97 HydrophobicContact CG2-CB 4.15Å; T32-P97 HydrophobicContact CG2-CG 3.91Å; P97-D99 VanDerWaalsContact C-N 3.3Å; P97-D99 PolarHBondContact O-N 2.88Å; P97-V100 HydrophobicContact CB-CG1 4.1Å; P97-V100 HydrophobicContact CG-CG1 4.34Å; P97-V100 WeakPolarHBondContact O-CG1 3.32Å
98	N	81.5	Confident	89.2	Confident	163 Å²	163	57.8 Å²	57.8	87%	0.872	31%	0.311	S	S	*	.	S	Bend	trans	-62.3	-37.2	-176.2	-69.5	-27.2	0	0	0	112.9
99	D	88.6	Confident	89.2	Confident	135 Å²	135	55.7 Å²	55.7	72%	0.722	30%	0.298	S	S	*	.	S	Bend	trans	-113.5	100.1	-178.5	-64.1	-58	0	0	0	109.7	P97	P97-D99 VanDerWaalsContact C-N 3.3Å; P97-D99 PolarHBondContact O-N 2.88Å
100	V	90.9	Very high	89.3	Confident	56 Å²	56	61.1 Å²	61.1	34%	0.339	33%	0.327	S	S	.	.			trans	-124.1	146	177.7	-66.4	0	0	0	0	111.4	V30 L96 P97	V30-V100 HydrophobicContact CG1-CB 3.71Å; V30-V100 HydrophobicContact CG1-CG1 3.85Å; V30-V100 HydrophobicContact CG1-CG2 4.29Å; L96-V100 HydrophobicContact CB-CG1 4.42Å; L96-V100 HydrophobicContact CD2-CG1 4.5Å; P97-V100 HydrophobicContact CB-CG1 4.1Å; P97-V100 HydrophobicContact CG-CG1 4.34Å; P97-V100 WeakPolarHBondContact O-CG1 3.32Å
101	C	91.6	Very high	89.4	Confident	37 Å²	37	64.7 Å²	64.7	25%	0.25	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	152.5	170.9	-67	0	0	0	0	110.3	V30 Y31	V30-C101 WeakPolarHBondContact CA-O 3.37Å; Y31-C101 HydrophobicContact CD1-CB 3.98Å; Y31-C101 WeakPolarHBondContact CD1-O 3.49Å; Y31-C101 HydrophobicContact CD2-CB 3.76Å; Y31-C101 HydrophobicContact CE1-CB 3.52Å; Y31-C101 HydrophobicContact CE2-CB 3.29Å; Y31-C101 HydrophobicContact CG-CB 4.09Å; Y31-C101 PolarHBondContact N-O 2.49Å; Y31-C101 VanDerWaalsContact N-O 3.11Å; Y31-C101 PolarHBondContact O-N 3.3Å; Y31-C101 WeakPolarHBondContact OH-CB 3.46Å
102	L	91.9	Very high	89.5	Confident	46 Å²	46	63.3 Å²	63.3	24%	0.241	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.2	177.4	-73.9	167.5	0	0	0	110.2	L3 W10 L28 A29 V30	L3-L102 HydrophobicContact CD1-CD1 4.28Å; L3-L102 HydrophobicContact CD2-CD1 4.21Å; W10-L102 HydrophobicContact CH2-CB 4.38Å; W10-L102 WeakPolarHBondContact CH2-O 3.32Å; W10-L102 HydrophobicContact CZ3-CB 4.34Å; L28-L102 HydrophobicContact CD1-CD2 4.19Å; A29-L102 WeakPolarHBondContact O-CA 3.08Å; V30-L102 HydrophobicContact CG2-CD2 3.85Å
103	T	91.1	Very high	89.8	Confident	32 Å²	32	62.8 Å²	62.8	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.7	169.4	-169.4	0	0	0	0	110.3	A29 Y31	A29-T103 HydrophobicContact CB-CG2 3.94Å; A29-T103 PolarHBondContact N-O 3.44Å; A29-T103 PolarHBondContact O-N 3.17Å; Y31-T103 HydrophobicContact CD1-CG2 4.16Å; Y31-T103 HydrophobicContact CE1-CG2 3.88Å
104	M	92.6	Very high	90.1	Very high	21 Å²	21	64.1 Å²	64.1	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.1	175	-171.2	178.7	-68.7	0	0	109	W10 V26 V27 L28 L106 F122	W10-M104 HydrophobicContact CB-CE 4.11Å; W10-M104 HydrophobicContact CB-SD 3.84Å; W10-M104 HydrophobicContact CD2-CB 4.11Å; W10-M104 HydrophobicContact CE3-CB 4.07Å; W10-M104 HydrophobicContact CE3-CE 4.15Å; W10-M104 HydrophobicContact CG-CB 4.5Å; W10-M104 HydrophobicContact CG-SD 4.42Å; W10-M104 HydrophobicContact CZ3-CB 4.36Å; V26-M104 HydrophobicContact CG1-CE 4.36Å; V26-M104 HydrophobicContact CG1-CG 3.67Å; V26-M104 HydrophobicContact CG1-SD 3.66Å; V27-M104 CarbonylContact O-C 3.58Å; V27-M104 VanDerWaalsContact O-CA 3.25Å; V27-M104 WeakPolarHBondContact O-CA 3.23Å; L28-M104 HydrophobicContact CD1-CB 4.48Å; L28-M104 HydrophobicContact CD1-CE 4.02Å; M104-L106 HydrophobicContact CG-CD2 4.47Å; M104-L106 HydrophobicContact SD-CD2 4.46Å; M104-F122 HydrophobicContact CB-CE1 4.06Å; M104-F122 HydrophobicContact CB-CZ 4.46Å; M104-F122 HydrophobicContact CG-CE1 4.01Å; M104-F122 HydrophobicContact CG-CZ 4.16Å; M104-F122 HydrophobicContact SD-CE1 4.23Å; M104-F122 HydrophobicContact SD-CZ 3.75Å
105	K	91.7	Very high	90.3	Very high	43 Å²	43	70.4 Å²	70.4	19%	0.187	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.8	175.2	-62	-171.6	-179.3	-173.4	0	109.3	V27 F107	V27-K105 HydrophobicContact CB-CB 4.47Å; V27-K105 PolarHBondContact N-O 2.92Å; V27-K105 PolarHBondContact O-N 3.34Å; K105-F107 HydrophobicContact CB-CE2 3.77Å; K105-F107 HydrophobicContact CB-CZ 4.12Å; K105-F107 HydrophobicContact CD-CZ 4.4Å
106	L	92.9	Very high	90.6	Very high	20 Å²	20	71.8 Å²	71.8	11%	0.105	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.1	172.6	-53.8	-175.7	0	0	0	108.7	C14 L23 V26 M104 Y108 P119 F122	C14-L106 VanDerWaalsContact SG-CD2 3.57Å; L23-L106 HydrophobicContact CD1-CB 4Å; L23-L106 HydrophobicContact CD1-CD2 3.96Å; L23-L106 HydrophobicContact CD1-CG 4.37Å; V26-L106 HydrophobicContact CB-CD2 4.29Å; V26-L106 HydrophobicContact CG1-CD2 4.06Å; V26-L106 HydrophobicContact CG2-CD2 3.74Å; M104-L106 HydrophobicContact CG-CD2 4.47Å; M104-L106 HydrophobicContact SD-CD2 4.46Å; L106-Y108 HydrophobicContact CB-CE1 3.76Å; L106-Y108 HydrophobicContact CD1-CE1 4.22Å; L106-P119 HydrophobicContact CD1-CB 4.36Å; L106-P119 HydrophobicContact CD1-CG 3.68Å; L106-F122 HydrophobicContact CD1-CD1 3.94Å; L106-F122 HydrophobicContact CD1-CD2 3.69Å; L106-F122 HydrophobicContact CD1-CE1 3.89Å; L106-F122 HydrophobicContact CD1-CE2 3.64Å; L106-F122 HydrophobicContact CD1-CG 3.85Å; L106-F122 HydrophobicContact CD1-CZ 3.74Å; L106-F122 HydrophobicContact CD2-CE1 3.98Å; L106-F122 HydrophobicContact CD2-CZ 3.89Å; L106-F122 HydrophobicContact CG-CD1 3.84Å; L106-F122 HydrophobicContact CG-CD2 4.45Å; L106-F122 HydrophobicContact CG-CE1 3.58Å; L106-F122 HydrophobicContact CG-CE2 4.23Å; L106-F122 HydrophobicContact CG-CG 4.27Å; L106-F122 HydrophobicContact CG-CZ 3.8Å
107	F	90.6	Very high	91	Very high	39 Å²	39	69.9 Å²	69.9	17%	0.171	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.1	172.4	-61.6	-92	0	0	0	108.2	R24 M25 V27 K105 L183	R24-F107 WeakPolarHBondContact CA-O 3.24Å; R24-F107 WeakPolarHBondContact CB-O 3.37Å; R24-F107 PolarHBondContact N-O 3.25Å; M25-F107 HydrophobicContact CB-CB 4.09Å; M25-F107 HydrophobicContact CB-CD2 4.22Å; M25-F107 PolarHBondContact N-O 2.89Å; M25-F107 PolarHBondContact O-N 3.43Å; V27-F107 HydrophobicContact CB-CE2 4.3Å; V27-F107 HydrophobicContact CG2-CD2 4.13Å; V27-F107 HydrophobicContact CG2-CE2 3.66Å; K105-F107 HydrophobicContact CB-CE2 3.77Å; K105-F107 HydrophobicContact CB-CZ 4.12Å; K105-F107 HydrophobicContact CD-CZ 4.4Å; F107-L183 HydrophobicContact CE1-CD2 3.81Å; F107-L183 HydrophobicContact CE2-CD2 3.72Å; F107-L183 HydrophobicContact CZ-CD1 4.4Å; F107-L183 HydrophobicContact CZ-CD2 3.29Å; F107-L183 HydrophobicContact CZ-CG 4.33Å
108	Y	92.3	Very high	91.4	Very high	51 Å²	51	70.9 Å²	70.9	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	169.4	-174.8	-48.5	-62.5	0	0	0	112.1	A17 Y22 L23 L106 T113 Y117 P119	A17-Y108 HydrophobicContact CB-CE1 4.18Å; Y22-Y108 CarbonylContact O-C 3.5Å; Y22-Y108 WeakPolarHBondContact O-CA 3.25Å; Y22-Y108 WeakPolarHBondContact O-CB 3.47Å; L23-Y108 HydrophobicContact CD1-CD1 4.5Å; L23-Y108 HydrophobicContact CD1-CE1 4.4Å; L106-Y108 HydrophobicContact CB-CE1 3.76Å; L106-Y108 HydrophobicContact CD1-CE1 4.22Å; Y108-T113 WeakPolarHBondContact CB-OG1 3.12Å; Y108-T113 HydrophobicContact CD2-CG2 4.28Å; Y108-T113 HydrophobicContact CG-CG2 4.03Å; Y108-Y117 HydrophobicContact CD1-CE1 4.41Å; Y108-Y117 HydrophobicContact CE1-CD1 4.41Å; Y108-Y117 AromaticContact CE1-CE1 3.9Å; Y108-Y117 HydrophobicContact CE1-CE1 3.9Å; Y108-P119 HydrophobicContact CE1-CG 4.44Å; Y108-P119 VanDerWaalsContact OH-CD 3.27Å; Y108-P119 WeakPolarHBondContact OH-CD 3.49Å; Y108-P119 WeakPolarHBondContact OH-CG 3.38Å
109	Y	90.6	Very high	92	Very high	39 Å²	39	63.2 Å²	63.2	15%	0.153	34%	0.337	C	S	.	.			trans	-87	110.3	164.1	-74.6	-72.6	0	0	0	108.6	Y22 R24 F48 Y50 E111 V112 T113	Y22-Y109 PolarHBondContact O-N 2.92Å; R24-Y109 VanDerWaalsContact CA-CE2 3.45Å; R24-Y109 HydrophobicContact CB-CD1 4.25Å; R24-Y109 HydrophobicContact CB-CD2 3.75Å; R24-Y109 HydrophobicContact CB-CE1 4.14Å; R24-Y109 HydrophobicContact CB-CE2 3.59Å; R24-Y109 HydrophobicContact CB-CG 4.08Å; R24-Y109 HydrophobicContact CG-CD1 4.36Å; R24-Y109 HydrophobicContact CG-CE1 3.9Å; R24-Y109 HydrophobicContact CG-CE2 4.07Å; F48-Y109 PolarHBondContact O-OH 3.13Å; Y50-Y109 HydrophobicContact CD2-CD2 4.25Å; Y50-Y109 AromaticContact CD2-CE2 3.72Å; Y50-Y109 HydrophobicContact CD2-CE2 3.72Å; Y50-Y109 HydrophobicContact CE2-CD2 4.04Å; Y50-Y109 AromaticContact CE2-CE2 3.66Å; Y50-Y109 HydrophobicContact CE2-CE2 3.66Å; Y109-E111 WeakPolarHBondContact CB-OE1 3.38Å; Y109-E111 WeakPolarHBondContact CD1-OE1 3.45Å; Y109-E111 PolarHBondContact O-N 2.98Å; Y109-V112 PolarHBondContact O-N 3.27Å; Y109-T113 VanDerWaalsContact O-CB 3.3Å; Y109-T113 WeakPolarHBondContact O-CB 3.39Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 VanDerWaalsContact O-N 3.14Å; Y109-T113 PolarHBondContact O-OG1 3.43Å
110	D	89.6	Confident	92.2	Very high	131 Å²	131	60 Å²	60	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30	-172.7	-62.4	-24	0	0	0	112	V112	D110-V112 VanDerWaalsContact C-N 3.31Å; D110-V112 PolarHBondContact O-N 3.35Å
111	E	90.3	Very high	92.2	Very high	145 Å²	145	58.7 Å²	58.7	68%	0.678	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.4	-177.4	60.4	-87.8	-163.7	0	0	114.7	Y109	Y109-E111 WeakPolarHBondContact CB-OE1 3.38Å; Y109-E111 WeakPolarHBondContact CD1-OE1 3.45Å; Y109-E111 PolarHBondContact O-N 2.98Å
112	V	90.9	Very high	92.4	Very high	78 Å²	78	58.4 Å²	58.4	47%	0.473	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-12.3	-175.7	-68.4	0	0	0	0	113.9	Y22 Y109 D110	Y22-V112 HydrophobicContact CD1-CG2 4.13Å; Y22-V112 WeakPolarHBondContact CE1-O 3.46Å; Y109-V112 PolarHBondContact O-N 3.27Å; D110-V112 VanDerWaalsContact C-N 3.31Å; D110-V112 PolarHBondContact O-N 3.35Å
113	T	94.1	Very high	92.3	Very high	20 Å²	20	64.8 Å²	64.8	12%	0.123	34%	0.342	C	S	.	.	S	Bend	trans	-95	121.5	-173.7	-51.5	0	0	0	0	110.3	Y22 Y108 Y109 Y117	Y22-T113 WeakPolarHBondContact CB-OG1 3.43Å; Y22-T113 HydrophobicContact CD2-CG2 4Å; Y22-T113 HydrophobicContact CG-CG2 4.01Å; Y108-T113 WeakPolarHBondContact CB-OG1 3.12Å; Y108-T113 HydrophobicContact CD2-CG2 4.28Å; Y108-T113 HydrophobicContact CG-CG2 4.03Å; Y109-T113 VanDerWaalsContact O-CB 3.3Å; Y109-T113 WeakPolarHBondContact O-CB 3.39Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 VanDerWaalsContact O-N 3.14Å; Y109-T113 PolarHBondContact O-OG1 3.43Å; T113-Y117 HydrophobicContact CG2-CD1 3.67Å; T113-Y117 HydrophobicContact CG2-CG 4.12Å
114	P	95.6	Very high	92.2	Very high	48 Å²	48	69.6 Å²	69.6	31%	0.312	37%	0.366	S	S	.	.			trans	-58.7	142.4	175.2	-24.3	34.3	0	0	0	111.9	D116 Y117	P114-D116 VanDerWaalsContact CB-OD1 3.24Å; P114-D116 WeakPolarHBondContact CB-OD1 3.39Å; P114-D116 PolarHBondContact O-N 3.39Å; P114-Y117 WeakPolarHBondContact O-CB 3.42Å; P114-Y117 PolarHBondContact O-N 3.42Å; P114-Y117 VanDerWaalsContact O-N 3.08Å
115	P	91.1	Very high	91.5	Very high	137 Å²	137	71.6 Å²	71.6	89%	0.89	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19	-177.1	27.5	-35.4	0	0	0	113.7
116	D	93.4	Very high	90.5	Very high	137 Å²	137	75.4 Å²	75.4	73%	0.733	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	4.5	177.3	65	-32.7	0	0	0	113.1	P114 Q118	P114-D116 VanDerWaalsContact CB-OD1 3.24Å; P114-D116 WeakPolarHBondContact CB-OD1 3.39Å; P114-D116 PolarHBondContact O-N 3.39Å; D116-Q118 PolarHBondContact O-N 2.91Å
117	Y	95.1	Very high	88.9	Confident	32 Å²	32	80.4 Å²	80.4	13%	0.125	45%	0.45	C	S	.	.			trans	-69.5	120.6	-179.5	173	-107.4	0	0	0	111.9	D16 A17 K20 Y22 Y108 T113 P114 P119	D16-Y117 WeakPolarHBondContact OD2-CE2 3.27Å; D16-Y117 PolarHBondContact OD2-OH 3.22Å; A17-Y117 WeakPolarHBondContact CA-OH 3.41Å; A17-Y117 HydrophobicContact CB-CE1 4.26Å; A17-Y117 VanDerWaalsContact CB-OH 3.31Å; A17-Y117 WeakPolarHBondContact CB-OH 3.09Å; A17-Y117 PolarHBondContact N-OH 2.96Å; K20-Y117 HydrophobicContact CD-CE2 3.8Å; Y22-Y117 AromaticContact CD2-CD1 3.87Å; Y22-Y117 HydrophobicContact CD2-CD1 3.87Å; Y22-Y117 HydrophobicContact CD2-CD2 4.01Å; Y22-Y117 AromaticContact CD2-CE1 3.78Å; Y22-Y117 HydrophobicContact CD2-CE1 3.78Å; Y22-Y117 AromaticContact CD2-CE2 3.94Å; Y22-Y117 HydrophobicContact CD2-CE2 3.94Å; Y22-Y117 AromaticContact CD2-CG 3.97Å; Y22-Y117 HydrophobicContact CD2-CG 3.97Å; Y22-Y117 AromaticContact CD2-CZ 3.81Å; Y22-Y117 HydrophobicContact CE2-CD1 4.46Å; Y22-Y117 AromaticContact CE2-CD2 3.9Å; Y22-Y117 HydrophobicContact CE2-CD2 3.9Å; Y22-Y117 HydrophobicContact CE2-CE2 4.07Å; Y22-Y117 HydrophobicContact CE2-CG 4.1Å; Y108-Y117 HydrophobicContact CD1-CE1 4.41Å; Y108-Y117 HydrophobicContact CE1-CD1 4.41Å; Y108-Y117 AromaticContact CE1-CE1 3.9Å; Y108-Y117 HydrophobicContact CE1-CE1 3.9Å; T113-Y117 HydrophobicContact CG2-CD1 3.67Å; T113-Y117 HydrophobicContact CG2-CG 4.12Å; P114-Y117 WeakPolarHBondContact O-CB 3.42Å; P114-Y117 PolarHBondContact O-N 3.42Å; P114-Y117 VanDerWaalsContact O-N 3.08Å; Y117-P119 HydrophobicContact CE1-CB 4.26Å; Y117-P119 HydrophobicContact CE1-CG 3.95Å
118	Q	94.1	Very high	87.6	Confident	78 Å²	78	84.9 Å²	84.9	36%	0.364	47%	0.471	S	S	.	.			trans	-126.5	108.9	176.8	-172.8	67.5	81.4	0	0	111.1	D116 F122 K123 D124	D116-Q118 PolarHBondContact O-N 2.91Å; Q118-F122 PolarHBondContact NE2-O 2.88Å; Q118-F122 VanDerWaalsContact NE2-O 3.08Å; Q118-K123 VanDerWaalsContact CD-CA 3.49Å; Q118-K123 VanDerWaalsContact NE2-CA 3.26Å; Q118-K123 VanDerWaalsContact OE1-CA 3.29Å; Q118-D124 VanDerWaalsContact OE1-N 3.11Å; Q118-D124 PolarHBondContact OE1-OD1 2.92Å
119	P	94.1	Very high	86.3	Confident	2 Å²	2	83.6 Å²	83.6	1%	0.013	47%	0.473	C	S	.	.			trans	-71.1	151	177.9	18.1	-22.2	0	0	0	112.4	L106 Y108 Y117 G121 F122	L106-P119 HydrophobicContact CD1-CB 4.36Å; L106-P119 HydrophobicContact CD1-CG 3.68Å; Y108-P119 HydrophobicContact CE1-CG 4.44Å; Y108-P119 VanDerWaalsContact OH-CD 3.27Å; Y108-P119 WeakPolarHBondContact OH-CD 3.49Å; Y108-P119 WeakPolarHBondContact OH-CG 3.38Å; Y117-P119 HydrophobicContact CE1-CB 4.26Å; Y117-P119 HydrophobicContact CE1-CG 3.95Å; P119-G121 PolarHBondContact O-N 3.23Å; P119-F122 HydrophobicContact CB-CD2 4.19Å; P119-F122 HydrophobicContact CG-CB 4.03Å; P119-F122 HydrophobicContact CG-CD2 4.07Å; P119-F122 HydrophobicContact CG-CG 4.26Å; P119-F122 PolarHBondContact O-N 3Å; P119-F122 VanDerWaalsContact O-N 3.15Å
120	P	92.1	Very high	85.5	Confident	69 Å²	69	81.9 Å²	81.9	45%	0.448	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128.6	176.5	-26.9	33.1	0	0	0	113.3	G13 F122	G13-P120 VanDerWaalsContact CA-O 3.32Å; G13-P120 WeakPolarHBondContact CA-O 3.34Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 WeakPolarHBondContact O-CD2 3.1Å; P120-F122 PolarHBondContact O-N 3.07Å
121	G	91.4	Very high	85.3	Confident	27 Å²	27	80 Å²	80	28%	0.278	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	3.3	176.8	0	0	0	0	0	114.8	P119	P119-G121 PolarHBondContact O-N 3.23Å
122	F	93.9	Very high	85.1	Confident	32 Å²	32	74.2 Å²	74.2	14%	0.14	43%	0.428	C	S	.	.			trans	-116.6	162.7	173.1	-64.1	-91.1	0	0	0	110.6	W10 M104 L106 Q118 P119 P120	W10-F122 HydrophobicContact CB-CE2 4.25Å; W10-F122 HydrophobicContact CB-CZ 3.85Å; W10-F122 AromaticContact CD1-CZ 3.81Å; W10-F122 HydrophobicContact CG-CZ 4.02Å; W10-F122 WeakPolarHBondContact O-CE2 3.39Å; M104-F122 HydrophobicContact CB-CE1 4.06Å; M104-F122 HydrophobicContact CB-CZ 4.46Å; M104-F122 HydrophobicContact CG-CE1 4.01Å; M104-F122 HydrophobicContact CG-CZ 4.16Å; M104-F122 HydrophobicContact SD-CE1 4.23Å; M104-F122 HydrophobicContact SD-CZ 3.75Å; L106-F122 HydrophobicContact CD1-CD1 3.94Å; L106-F122 HydrophobicContact CD1-CD2 3.69Å; L106-F122 HydrophobicContact CD1-CE1 3.89Å; L106-F122 HydrophobicContact CD1-CE2 3.64Å; L106-F122 HydrophobicContact CD1-CG 3.85Å; L106-F122 HydrophobicContact CD1-CZ 3.74Å; L106-F122 HydrophobicContact CD2-CE1 3.98Å; L106-F122 HydrophobicContact CD2-CZ 3.89Å; L106-F122 HydrophobicContact CG-CD1 3.84Å; L106-F122 HydrophobicContact CG-CD2 4.45Å; L106-F122 HydrophobicContact CG-CE1 3.58Å; L106-F122 HydrophobicContact CG-CE2 4.23Å; L106-F122 HydrophobicContact CG-CG 4.27Å; L106-F122 HydrophobicContact CG-CZ 3.8Å; Q118-F122 PolarHBondContact NE2-O 2.88Å; Q118-F122 VanDerWaalsContact NE2-O 3.08Å; P119-F122 HydrophobicContact CB-CD2 4.19Å; P119-F122 HydrophobicContact CG-CB 4.03Å; P119-F122 HydrophobicContact CG-CD2 4.07Å; P119-F122 HydrophobicContact CG-CG 4.26Å; P119-F122 PolarHBondContact O-N 3Å; P119-F122 VanDerWaalsContact O-N 3.15Å; P120-F122 VanDerWaalsContact C-N 3.29Å; P120-F122 WeakPolarHBondContact O-CD2 3.1Å; P120-F122 PolarHBondContact O-N 3.07Å
123	K	91.7	Very high	84.9	Confident	180 Å²	180	74.4 Å²	74.4	78%	0.783	42%	0.424	S	S	*	.			trans	-133.8	166.1	169.7	59.5	171.7	-175.3	167	0	107.9	Q118 G125	Q118-K123 VanDerWaalsContact CD-CA 3.49Å; Q118-K123 VanDerWaalsContact NE2-CA 3.26Å; Q118-K123 VanDerWaalsContact OE1-CA 3.29Å; K123-G125 PolarHBondContact O-N 2.84Å
124	D	88.5	Confident	84.5	Confident	132 Å²	132	75.8 Å²	75.8	71%	0.706	44%	0.442	S	S	*	.			trans	-49.7	131.7	169.7	-67.5	-24.7	0	0	0	110.8	Q118	Q118-D124 VanDerWaalsContact OE1-N 3.11Å; Q118-D124 PolarHBondContact OE1-OD1 2.92Å
125	G	78.3	Confident	84.1	Confident	63 Å²	63	78.4 Å²	78.4	65%	0.649	45%	0.45	S	S	*	.			trans	-107.9	140.2	-179.6	0	0	0	0	0	110.2	K123 C127	K123-G125 PolarHBondContact O-N 2.84Å; G125-C127 PolarHBondContact O-N 2.82Å
126	D	70.8	Confident	84	Confident	123 Å²	123	73.4 Å²	73.4	66%	0.658	42%	0.418	S	S	*	.			trans	-67.1	126.3	172.3	-55.7	-47.3	0	0	0	108.9	E128	D126-E128 HydrophobicContact CB-CG 4.5Å; D126-E128 PolarHBondContact O-N 3.46Å
127	C	59.1	Low	83.7	Confident	125 Å²	125	67.5 Å²	67.5	85%	0.845	39%	0.386	S	S	*	.			trans	-68.5	11.5	176.7	-71.3	0	0	0	0	113.6	G125 G129	G125-C127 PolarHBondContact O-N 2.82Å; C127-G129 PolarHBondContact O-N 2.96Å
128	E	63.1	Low	83.2	Confident	134 Å²	134	69 Å²	69	63%	0.626	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-62.6	124.1	172.3	-65.6	-167.5	166.9	0	0	108.9	Q38 D126	Q38-E128 PolarHBondContact OE1-O 3.28Å; D126-E128 HydrophobicContact CB-CG 4.5Å; D126-E128 PolarHBondContact O-N 3.46Å
129	G	64.9	Low	82.8	Confident	23 Å²	23	65.9 Å²	65.9	24%	0.237	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.8	152.2	-176.8	0	0	0	0	0	111.2	C127	C127-G129 PolarHBondContact O-N 2.96Å
130	V	73.4	Confident	82.3	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.024	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-82	137.1	175.5	-101.8	0	0	0	0	109.4	Q38 I40 F179 L183	Q38-V130 CarbonylContact O-C 3.26Å; Q38-V130 WeakPolarHBondContact O-CA 3.26Å; Q38-V130 WeakPolarHBondContact O-CG1 3.47Å; I40-V130 HydrophobicContact CD1-CB 4.08Å; I40-V130 HydrophobicContact CD1-CG1 4.24Å; I40-V130 HydrophobicContact CG2-CG1 3.83Å; V130-F179 HydrophobicContact CB-CD1 3.78Å; V130-F179 HydrophobicContact CB-CE1 3.84Å; V130-F179 HydrophobicContact CG2-CD1 3.45Å; V130-F179 VanDerWaalsContact CG2-CD1 3.45Å; V130-F179 HydrophobicContact CG2-CE1 3.29Å; V130-L183 HydrophobicContact CG2-CD1 3.71Å; V130-L183 HydrophobicContact CG2-CD2 4.39Å; V130-L183 HydrophobicContact CG2-CG 4.33Å
131	I	84.5	Confident	82	Confident	90 Å²	90	66.6 Å²	66.6	46%	0.462	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	177.1	-59.2	173	0	0	0	107.1	Q38 T39 I40	Q38-I131 PolarHBondContact O-N 3.48Å; Q38-I131 VanDerWaalsContact O-O 3.1Å; T39-I131 CarbonylContact C-O 3.54Å; T39-I131 WeakPolarHBondContact CA-O 3.35Å; I40-I131 PolarHBondContact N-O 3.36Å
132	F	86.3	Confident	81.6	Confident	25 Å²	25	65.9 Å²	65.9	11%	0.11	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.4	178.2	-158.5	-89.4	0	0	0	110.1	I40 S41 P136 T156	I40-F132 HydrophobicContact CD1-CD2 4.41Å; I40-F132 HydrophobicContact CG1-CD2 3.94Å; I40-F132 HydrophobicContact CG1-CE2 4.41Å; I40-F132 CarbonylContact O-C 3.37Å; I40-F132 WeakPolarHBondContact O-CA 3.42Å; S41-F132 WeakPolarHBondContact O-CZ 3.37Å; F132-P136 HydrophobicContact CB-CB 4.48Å; F132-P136 HydrophobicContact CD1-CB 3.52Å; F132-P136 HydrophobicContact CD1-CG 4.17Å; F132-P136 HydrophobicContact CD2-CB 4.43Å; F132-P136 HydrophobicContact CE1-CB 3.8Å; F132-P136 HydrophobicContact CG-CB 3.87Å; F132-P136 HydrophobicContact CG-CG 4.5Å; F132-P136 HydrophobicContact CZ-CB 4.38Å; F132-T156 HydrophobicContact CD2-CG2 3.94Å; F132-T156 HydrophobicContact CE2-CG2 3.58Å; F132-T156 HydrophobicContact CZ-CG2 4Å
133	E	86.5	Confident	81.2	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	39%	0.388	S	S	.	.	S	Bend	trans	-77	128.4	174.2	-168.6	174.6	-164.1	0	0	109.8	T32 T39 I40	T32-E133 PolarHBondContact OG1-OE2 2.75Å; T39-E133 HydrophobicContact CG2-CB 3.86Å; T39-E133 HydrophobicContact CG2-CG 4.33Å; I40-E133 PolarHBondContact O-N 3.42Å
134	G	86.4	Confident	80.9	Confident	49 Å²	49	61.3 Å²	61.3	51%	0.505	35%	0.353	S	S	.	.	S	Bend	trans	73.4	-161.1	-179.2	0	0	0	0	0	114.3	P136	G134-P136 WeakPolarHBondContact O-CD 3.44Å
135	E	88.1	Confident	80.6	Confident	102 Å²	102	58 Å²	58	48%	0.477	34%	0.34	S	S	.	.	S	Bend	trans	-88.1	113.7	178.9	-168.3	178.5	-170.3	0	0	111	R159	E135-R159 HydrophobicContact CB-CB 4.49Å; E135-R159 VanDerWaalsContact CD-NH2 3.31Å; E135-R159 PolarHBondContact O-N 3.28Å; E135-R159 IonicContact OE1-CZ 2.74Å; E135-R159 IonicContact OE1-NE 2.75Å; E135-R159 IonicContact OE1-NH1 3.35Å; E135-R159 PolarHBondContact OE1-NH1 3.18Å; E135-R159 IonicContact OE1-NH2 3.95Å; E135-R159 PolarHBondContact OE1-NH2 3.39Å; E135-R159 IonicContact OE2-CZ 2.88Å; E135-R159 VanDerWaalsContact OE2-CZ 3.26Å; E135-R159 IonicContact OE2-NE 3.81Å; E135-R159 IonicContact OE2-NH1 2.74Å; E135-R159 PolarHBondContact OE2-NH1 3.05Å; E135-R159 IonicContact OE2-NH2 2.96Å
136	P	89	Confident	80.7	Confident	32 Å²	32	57 Å²	57	21%	0.208	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.5	-178.3	26.6	-33	0	0	0	112.7	F132 G134 Y138 T156	F132-P136 HydrophobicContact CB-CB 4.48Å; F132-P136 HydrophobicContact CD1-CB 3.52Å; F132-P136 HydrophobicContact CD1-CG 4.17Å; F132-P136 HydrophobicContact CD2-CB 4.43Å; F132-P136 HydrophobicContact CE1-CB 3.8Å; F132-P136 HydrophobicContact CG-CB 3.87Å; F132-P136 HydrophobicContact CG-CG 4.5Å; F132-P136 HydrophobicContact CZ-CB 4.38Å; G134-P136 WeakPolarHBondContact O-CD 3.44Å; P136-Y138 HydrophobicContact CB-CE1 4.45Å; P136-Y138 HydrophobicContact CB-CE2 3.88Å; P136-Y138 HydrophobicContact CG-CE2 3.87Å; P136-Y138 WeakPolarHBondContact CG-OH 3.03Å; P136-T156 HydrophobicContact CB-CG2 3.76Å
137	M	86.4	Confident	80.9	Confident	14 Å²	14	54 Å²	54	7%	0.069	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.8	165.6	-177	174.6	-169.4	0	0	109.7	L139 T156 T157 R159 M162 I165 L170	M137-L139 HydrophobicContact CE-CD2 3.61Å; M137-L139 HydrophobicContact CG-CD2 4.07Å; M137-L139 HydrophobicContact CG-CG 4.23Å; M137-L139 HydrophobicContact SD-CD2 4.22Å; M137-T156 VanDerWaalsContact O-CA 3.3Å; M137-T156 WeakPolarHBondContact O-CA 3.37Å; M137-T157 HydrophobicContact CB-CG2 4.18Å; M137-T157 PolarHBondContact N-O 3.46Å; M137-T157 PolarHBondContact O-N 2.87Å; M137-T157 VanDerWaalsContact O-N 3.16Å; M137-R159 HydrophobicContact CB-CB 4.39Å; M137-M162 HydrophobicContact CE-SD 4.2Å; M137-M162 HydrophobicContact SD-CB 4.39Å; M137-M162 HydrophobicContact SD-SD 3.94Å; M137-I165 HydrophobicContact CE-CD1 3.22Å; M137-I165 HydrophobicContact SD-CD1 3.71Å; M137-L170 HydrophobicContact CE-CD2 3.37Å; M137-L170 HydrophobicContact CE-CG 4.25Å
138	Y	85.6	Confident	81.7	Confident	62 Å²	62	50.4 Å²	50.4	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.4	-178.8	-57.4	-85.3	0	0	0	110.7	P136 T156 F179 I182	P136-Y138 HydrophobicContact CB-CE1 4.45Å; P136-Y138 HydrophobicContact CB-CE2 3.88Å; P136-Y138 HydrophobicContact CG-CE2 3.87Å; P136-Y138 WeakPolarHBondContact CG-OH 3.03Å; Y138-T156 HydrophobicContact CD1-CG2 3.7Å; Y138-T156 WeakPolarHBondContact CD1-OG1 3.01Å; Y138-T156 HydrophobicContact CE1-CG2 3.68Å; Y138-T156 HydrophobicContact CG-CG2 4.39Å; Y138-F179 HydrophobicContact CE1-CD2 4.16Å; Y138-I182 HydrophobicContact CD1-CD1 4.17Å; Y138-I182 HydrophobicContact CE1-CD1 3.71Å
139	L	84.4	Confident	82.3	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.5	-174.6	-61.5	175.1	0	0	0	110	L89 M137 K154 V155 T157 M162	L89-L139 HydrophobicContact CD1-CD1 3.43Å; L89-L139 VanDerWaalsContact CD1-CD1 3.43Å; L89-L139 HydrophobicContact CD2-CD1 4.1Å; L89-L139 HydrophobicContact CG-CD1 4.39Å; M137-L139 HydrophobicContact CE-CD2 3.61Å; M137-L139 HydrophobicContact CG-CD2 4.07Å; M137-L139 HydrophobicContact CG-CG 4.23Å; M137-L139 HydrophobicContact SD-CD2 4.22Å; L139-K154 CarbonylContact O-C 3.45Å; L139-K154 VanDerWaalsContact O-CA 3.31Å; L139-K154 WeakPolarHBondContact O-CA 3.44Å; L139-V155 HydrophobicContact CB-CB 4.27Å; L139-V155 PolarHBondContact N-O 3.33Å; L139-V155 PolarHBondContact O-N 2.73Å; L139-T157 HydrophobicContact CD1-CG2 4.33Å; L139-M162 HydrophobicContact CD1-SD 4.15Å
140	N	84.8	Confident	83.1	Confident	74 Å²	74	47.7 Å²	47.7	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	104.5	169.7	-174.6	-0.9	0	0	0	108.8	G142	N140-G142 PolarHBondContact OD1-N 2.86Å
141	V	85.6	Confident	83.6	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-37.3	-174.1	-172	0	0	0	0	110.7	L82 K85 I86 L89 V153 V155	L82-V141 HydrophobicContact CD1-CB 4.45Å; L82-V141 HydrophobicContact CD1-CG1 3.97Å; K85-V141 HydrophobicContact CB-CG1 3.94Å; K85-V141 WeakPolarHBondContact CD-O 3.06Å; I86-V141 HydrophobicContact CG1-CG1 3.68Å; L89-V141 HydrophobicContact CD2-CG2 3.87Å; V141-V153 HydrophobicContact CB-CB 4.2Å; V141-V153 HydrophobicContact CB-CG1 4.16Å; V141-V153 HydrophobicContact CG2-CG1 4.22Å; V141-V153 PolarHBondContact N-O 2.93Å; V141-V155 HydrophobicContact CG2-CB 4.22Å; V141-V155 HydrophobicContact CG2-CG2 3.62Å
142	G	83.1	Confident	83.7	Confident	12 Å²	12	48.5 Å²	48.5	12%	0.124	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152	-175	174.3	0	0	0	0	0	113.2	N140 V153	N140-G142 PolarHBondContact OD1-N 2.86Å; G142-V153 PolarHBondContact N-O 3.32Å; G142-V153 PolarHBondContact O-N 2.9Å
143	E	85	Confident	83.7	Confident	108 Å²	108	47.4 Å²	47.4	51%	0.505	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.7	177.9	62.5	-167.4	-154.9	0	0	111	F151 K152	E143-F151 CarbonylContact C-O 3.58Å; E143-F151 WeakPolarHBondContact CA-O 3.34Å; E143-F151 WeakPolarHBondContact CB-O 3.43Å; E143-K152 HydrophobicContact CB-CB 4.19Å; E143-K152 HydrophobicContact CB-CG 4.3Å; E143-K152 IonicContact OE2-NZ 3.68Å; E143-K152 PolarHBondContact OE2-NZ 3.32Å
144	V	85.9	Confident	83.8	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126	175.9	175.1	0	0	0	0	107.2	T75 A78 L82 F151	T75-V144 HydrophobicContact CG2-CG1 4.08Å; A78-V144 HydrophobicContact CB-CG1 4.37Å; A78-V144 HydrophobicContact CB-CG2 4.16Å; L82-V144 HydrophobicContact CB-CG2 4.1Å; L82-V144 HydrophobicContact CD2-CG2 3.76Å; V144-F151 HydrophobicContact CB-CD1 4.5Å; V144-F151 PolarHBondContact N-O 2.89Å; V144-F151 PolarHBondContact O-N 2.98Å
145	S	81.9	Confident	83.9	Confident	61 Å²	61	44.1 Å²	44.1	43%	0.427	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138	175.5	-59.2	0	0	0	0	109.7	T75	T75-S145 PolarHBondContact OG1-O 3.32Å
146	T	79.8	Confident	84	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.264	21%	0.205	S	C	.	.			trans	-119.8	170	169.3	69.1	0	0	0	0	107.3	T75 F148 H149	T75-T146 HydrophobicContact CG2-CG2 3.8Å; T146-F148 PolarHBondContact O-N 2.98Å; T146-F148 PolarHBondContact OG1-N 2.94Å; T146-H149 PolarHBondContact N-O 3.31Å; T146-H149 PolarHBondContact OG1-N 2.91Å; T146-H149 PolarHBondContact OG1-O 2.91Å
147	P	75.1	Confident	84.1	Confident	60 Å²	60	37.8 Å²	37.8	39%	0.39	20%	0.195	S	C	.	.	S	Bend	trans	-60.4	-14.7	174.3	-1.8	5.8	0	0	0	113.9	T51 L71	T51-P147 PolarHBondContact OG1-O 3.31Å; L71-P147 HydrophobicContact CD2-CB 4.06Å; L71-P147 HydrophobicContact CD2-CG 3.59Å
148	F	75.6	Confident	84.2	Confident	50 Å²	50	39.8 Å²	39.8	22%	0.219	20%	0.204	C	C	.	.	S	Bend	trans	-113.2	-34.2	-167.7	-46	-41.4	0	0	0	112.9	T51 G54 P55 L56 T146	T51-F148 PolarHBondContact N-O 3.48Å; T51-F148 WeakPolarHBondContact OG1-CA 3.48Å; T51-F148 PolarHBondContact OG1-O 2.77Å; G54-F148 WeakPolarHBondContact O-CD1 3.18Å; P55-F148 VanDerWaalsContact CA-CG 3.44Å; P55-F148 HydrophobicContact CB-CB 4.29Å; P55-F148 HydrophobicContact CB-CD2 4.22Å; P55-F148 HydrophobicContact CB-CG 4.14Å; L56-F148 HydrophobicContact CB-CE1 3.57Å; L56-F148 HydrophobicContact CB-CZ 3.88Å; L56-F148 HydrophobicContact CG-CE1 4.29Å; L56-F148 WeakPolarHBondContact O-CZ 3.4Å; T146-F148 PolarHBondContact O-N 2.98Å; T146-F148 PolarHBondContact OG1-N 2.94Å
149	H	77.1	Confident	84.3	Confident	33 Å²	33	42.7 Å²	42.7	15%	0.153	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.9	-172.3	-51.7	97.7	0	0	0	111.5	K49 Y50 T146	K49-H149 CarbonylContact O-C 3.55Å; K49-H149 VanDerWaalsContact O-CA 3.23Å; K49-H149 WeakPolarHBondContact O-CA 3.23Å; Y50-H149 AromaticContact CD1-CD2 3.01Å; Y50-H149 WeakPolarHBondContact CD1-CD2 3.38Å; Y50-H149 AromaticContact CD1-NE2 3.03Å; Y50-H149 WeakPolarHBondContact CD1-NE2 3.35Å; Y50-H149 AromaticContact CE1-CD2 3.18Å; Y50-H149 WeakPolarHBondContact CE1-CD2 3.4Å; Y50-H149 AromaticContact CE1-NE2 3.06Å; Y50-H149 WeakPolarHBondContact CE1-NE2 3.42Å; Y50-H149 AromaticContact CG-CD2 3.87Å; T146-H149 PolarHBondContact N-O 3.31Å; T146-H149 PolarHBondContact OG1-N 2.91Å; T146-H149 PolarHBondContact OG1-O 2.91Å
150	I	81.4	Confident	84.4	Confident	66 Å²	66	50.1 Å²	50.1	34%	0.338	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.8	161	-55.2	174.4	0	0	0	107.5	F48 K49	F48-I150 WeakPolarHBondContact CA-O 3.27Å; K49-I150 HydrophobicContact CB-CB 4.38Å; K49-I150 PolarHBondContact N-O 3.11Å; K49-I150 PolarHBondContact O-N 3.43Å
151	F	82.9	Confident	84.5	Confident	55 Å²	55	48 Å²	48	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.3	-180	171.5	-111.9	0	0	0	109.6	F46 K47 F48 L82 E143 V144 V153	F46-F151 HydrophobicContact CB-CE2 3.8Å; F46-F151 HydrophobicContact CB-CZ 4.48Å; F46-F151 HydrophobicContact CD1-CE1 4.44Å; F46-F151 AromaticContact CD1-CE2 3.53Å; F46-F151 HydrophobicContact CD1-CE2 3.53Å; F46-F151 AromaticContact CD1-CZ 3.33Å; F46-F151 HydrophobicContact CD1-CZ 3.33Å; F46-F151 AromaticContact CE1-CZ 3.93Å; F46-F151 HydrophobicContact CE1-CZ 3.93Å; F46-F151 HydrophobicContact CG-CE2 4.08Å; F46-F151 HydrophobicContact CG-CZ 4.3Å; K47-F151 WeakPolarHBondContact O-CA 3.22Å; F48-F151 AromaticContact CD1-CD2 3.95Å; F48-F151 HydrophobicContact CD1-CD2 3.95Å; F48-F151 AromaticContact CE1-CD2 3.4Å; F48-F151 HydrophobicContact CE1-CD2 3.4Å; F48-F151 AromaticContact CE1-CE2 3.78Å; F48-F151 HydrophobicContact CE1-CE2 3.78Å; F48-F151 HydrophobicContact CE1-CG 4.5Å; F48-F151 AromaticContact CZ-CD2 3.77Å; F48-F151 HydrophobicContact CZ-CD2 3.77Å; F48-F151 AromaticContact CZ-CE2 3.7Å; F48-F151 HydrophobicContact CZ-CE2 3.7Å; L82-F151 HydrophobicContact CD2-CD1 4Å; L82-F151 HydrophobicContact CD2-CE1 3.7Å; E143-F151 CarbonylContact C-O 3.58Å; E143-F151 WeakPolarHBondContact CA-O 3.34Å; E143-F151 WeakPolarHBondContact CB-O 3.43Å; V144-F151 HydrophobicContact CB-CD1 4.5Å; V144-F151 PolarHBondContact N-O 2.89Å; V144-F151 PolarHBondContact O-N 2.98Å; F151-V153 HydrophobicContact CD1-CG2 4.14Å; F151-V153 HydrophobicContact CE1-CG2 3.4Å; F151-V153 VanDerWaalsContact CE1-CG2 3.4Å; F151-V153 HydrophobicContact CE2-CG2 4.47Å; F151-V153 HydrophobicContact CZ-CG2 3.63Å
152	K	86.3	Confident	84.4	Confident	57 Å²	57	48.5 Å²	48.5	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	-178.7	-175.5	170.2	-164	139.9	0	111.4	F46 K47 E143	F46-K152 CarbonylContact C-O 3.55Å; F46-K152 WeakPolarHBondContact CA-O 3.29Å; K47-K152 HydrophobicContact CB-CB 4.34Å; K47-K152 PolarHBondContact N-O 3.49Å; K47-K152 PolarHBondContact O-N 2.94Å; E143-K152 HydrophobicContact CB-CB 4.19Å; E143-K152 HydrophobicContact CB-CG 4.3Å; E143-K152 IonicContact OE2-NZ 3.68Å; E143-K152 PolarHBondContact OE2-NZ 3.32Å
153	V	87.2	Confident	84.1	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.7	179.6	-172.7	0	0	0	0	110.2	Q45 F46 L82 V141 G142 F151	Q45-V153 WeakPolarHBondContact O-CA 3.4Å; F46-V153 HydrophobicContact CD1-CG1 4.31Å; F46-V153 HydrophobicContact CD1-CG2 3.86Å; F46-V153 HydrophobicContact CE1-CG1 4Å; F46-V153 HydrophobicContact CE1-CG2 4Å; L82-V153 HydrophobicContact CD1-CB 4.35Å; L82-V153 HydrophobicContact CD1-CG2 4.21Å; L82-V153 HydrophobicContact CD2-CG2 3.84Å; L82-V153 HydrophobicContact CG-CG2 4.5Å; V141-V153 HydrophobicContact CB-CB 4.2Å; V141-V153 HydrophobicContact CB-CG1 4.16Å; V141-V153 HydrophobicContact CG2-CG1 4.22Å; V141-V153 PolarHBondContact N-O 2.93Å; G142-V153 PolarHBondContact N-O 3.32Å; G142-V153 PolarHBondContact O-N 2.9Å; F151-V153 HydrophobicContact CD1-CG2 4.14Å; F151-V153 HydrophobicContact CE1-CG2 3.4Å; F151-V153 VanDerWaalsContact CE1-CG2 3.4Å; F151-V153 HydrophobicContact CE2-CG2 4.47Å; F151-V153 HydrophobicContact CZ-CG2 3.63Å
154	K	87.8	Confident	83.2	Confident	60 Å²	60	53.3 Å²	53.3	26%	0.261	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.7	169.2	-58.3	-175.4	179.4	-171.5	0	109.6	Q45 L139	Q45-K154 HydrophobicContact CB-CB 4.27Å; Q45-K154 PolarHBondContact N-O 3.08Å; Q45-K154 PolarHBondContact O-N 3.15Å; L139-K154 CarbonylContact O-C 3.45Å; L139-K154 VanDerWaalsContact O-CA 3.31Å; L139-K154 WeakPolarHBondContact O-CA 3.44Å
155	V	89.7	Confident	82	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.5	174.3	177	0	0	0	0	108.3	C43 Y44 L89 L139 V141	C43-V155 CarbonylContact O-C 3.59Å; C43-V155 WeakPolarHBondContact O-CA 3.49Å; Y44-V155 HydrophobicContact CD1-CG1 4.47Å; Y44-V155 HydrophobicContact CD1-CG2 3.55Å; Y44-V155 HydrophobicContact CE1-CG1 4.21Å; Y44-V155 HydrophobicContact CE1-CG2 3.78Å; Y44-V155 HydrophobicContact CG-CG2 4.45Å; L89-V155 HydrophobicContact CD2-CB 4Å; L89-V155 HydrophobicContact CD2-CG1 4.17Å; L89-V155 HydrophobicContact CD2-CG2 3.87Å; L139-V155 HydrophobicContact CB-CB 4.27Å; L139-V155 PolarHBondContact N-O 3.33Å; L139-V155 PolarHBondContact O-N 2.73Å; V141-V155 HydrophobicContact CG2-CB 4.22Å; V141-V155 HydrophobicContact CG2-CG2 3.62Å
156	T	90	Very high	80.6	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.2	167.7	-47.1	0	0	0	0	108	E42 C43 F132 P136 M137 Y138 F179	E42-T156 CarbonylContact C-O 3.59Å; E42-T156 WeakPolarHBondContact CA-O 3.5Å; C43-T156 PolarHBondContact N-O 3.43Å; C43-T156 PolarHBondContact O-N 3.08Å; C43-T156 WeakPolarHBondContact SG-CB 3.08Å; F132-T156 HydrophobicContact CD2-CG2 3.94Å; F132-T156 HydrophobicContact CE2-CG2 3.58Å; F132-T156 HydrophobicContact CZ-CG2 4Å; P136-T156 HydrophobicContact CB-CG2 3.76Å; M137-T156 VanDerWaalsContact O-CA 3.3Å; M137-T156 WeakPolarHBondContact O-CA 3.37Å; Y138-T156 HydrophobicContact CD1-CG2 3.7Å; Y138-T156 WeakPolarHBondContact CD1-OG1 3.01Å; Y138-T156 HydrophobicContact CE1-CG2 3.68Å; Y138-T156 HydrophobicContact CG-CG2 4.39Å; T156-F179 HydrophobicContact CG2-CE2 4.36Å
157	T	90.8	Very high	79.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.5	-178.3	-174.6	0	0	0	0	108.9	L93 M137 L139	L93-T157 HydrophobicContact CD2-CG2 3.8Å; M137-T157 HydrophobicContact CB-CG2 4.18Å; M137-T157 PolarHBondContact N-O 3.46Å; M137-T157 PolarHBondContact O-N 2.87Å; M137-T157 VanDerWaalsContact O-N 3.16Å; L139-T157 HydrophobicContact CD1-CG2 4.33Å
158	E	89.4	Confident	78	Confident	55 Å²	55	62.8 Å²	62.8	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134.8	167.9	-175.9	174.3	-144.7	0	0	110.5	E160 R161	E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 HydrophobicContact CG-CB 4.48Å; E158-E160 PolarHBondContact O-N 3.43Å; E158-R161 HydrophobicContact CB-CG 4.22Å; E158-R161 PolarHBondContact O-N 2.86Å
159	R	86.3	Confident	77	Confident	123 Å²	123	65 Å²	65	46%	0.464	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-58.3	-42.5	-177.5	178.1	178	-69.1	162.5	14.2	112.6	E135 M137 R161 M162	E135-R159 HydrophobicContact CB-CB 4.49Å; E135-R159 VanDerWaalsContact CD-NH2 3.31Å; E135-R159 PolarHBondContact O-N 3.28Å; E135-R159 IonicContact OE1-CZ 2.74Å; E135-R159 IonicContact OE1-NE 2.75Å; E135-R159 IonicContact OE1-NH1 3.35Å; E135-R159 PolarHBondContact OE1-NH1 3.18Å; E135-R159 IonicContact OE1-NH2 3.95Å; E135-R159 PolarHBondContact OE1-NH2 3.39Å; E135-R159 IonicContact OE2-CZ 2.88Å; E135-R159 VanDerWaalsContact OE2-CZ 3.26Å; E135-R159 IonicContact OE2-NE 3.81Å; E135-R159 IonicContact OE2-NH1 2.74Å; E135-R159 PolarHBondContact OE2-NH1 3.05Å; E135-R159 IonicContact OE2-NH2 2.96Å; M137-R159 HydrophobicContact CB-CB 4.39Å; R159-R161 PolarHBondContact O-N 3.06Å; R159-M162 PolarHBondContact O-N 2.91Å
160	E	86.4	Confident	75.7	Confident	171 Å²	171	67.6 Å²	67.6	80%	0.799	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-66.1	-23.5	-175.5	-62.6	-169	172.9	0	0	112.7	E158 M162	E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 HydrophobicContact CG-CB 4.48Å; E158-E160 PolarHBondContact O-N 3.43Å; E160-M162 PolarHBondContact O-N 3.01Å
161	R	86.5	Confident	73.9	Confident	30 Å²	30	67.8 Å²	67.8	11%	0.113	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-76.3	-1.6	179.2	-70.9	-175.7	61.2	-144.8	-12.4	114	E42 L93 G94 P95 E158 R159 E163	E42-R161 IonicContact OE2-CZ 3.13Å; E42-R161 IonicContact OE2-NH1 3.26Å; E42-R161 PolarHBondContact OE2-NH1 3.02Å; E42-R161 IonicContact OE2-NH2 3.66Å; E42-R161 PolarHBondContact OE2-NH2 3.2Å; E42-R161 VanDerWaalsContact OE2-NH2 3.13Å; L93-R161 CarbonylContact C-O 3.47Å; L93-R161 WeakPolarHBondContact CA-O 3.13Å; G94-R161 PolarHBondContact N-O 2.88Å; G94-R161 PolarHBondContact O-NH2 2.97Å; P95-R161 PolarHBondContact O-NE 2.81Å; E158-R161 HydrophobicContact CB-CG 4.22Å; E158-R161 PolarHBondContact O-N 2.86Å; R159-R161 PolarHBondContact O-N 3.06Å; R161-E163 PolarHBondContact O-N 3.01Å
162	M	84.5	Confident	71.7	Confident	20 Å²	20	71.5 Å²	71.5	10%	0.099	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-97	99.3	178.2	-149.4	158	175.1	0	0	111.6	L89 N92 L93 M137 L139 R159 E160 I165	L89-M162 HydrophobicContact CD1-CE 3.51Å; L89-M162 HydrophobicContact CD1-SD 4.2Å; N92-M162 HydrophobicContact CB-CE 3.71Å; N92-M162 WeakPolarHBondContact O-CG 2.83Å; L93-M162 HydrophobicContact CD2-CG 4.29Å; L93-M162 HydrophobicContact CD2-SD 4.36Å; M137-M162 HydrophobicContact CE-SD 4.2Å; M137-M162 HydrophobicContact SD-CB 4.39Å; M137-M162 HydrophobicContact SD-SD 3.94Å; L139-M162 HydrophobicContact CD1-SD 4.15Å; R159-M162 PolarHBondContact O-N 2.91Å; E160-M162 PolarHBondContact O-N 3.01Å; M162-I165 HydrophobicContact CB-CD1 3.62Å; M162-I165 HydrophobicContact CB-CG1 3.78Å; M162-I165 HydrophobicContact CE-CD1 4.14Å; M162-I165 HydrophobicContact CE-CG1 3.83Å; M162-I165 HydrophobicContact CG-CD1 3.44Å; M162-I165 VanDerWaalsContact CG-CD1 3.44Å; M162-I165 HydrophobicContact CG-CG1 3.26Å; M162-I165 HydrophobicContact SD-CD1 3.3Å; M162-I165 WeakPolarHBondContact SD-CD1 3.37Å; M162-I165 HydrophobicContact SD-CG1 3.54Å; M162-I165 VanDerWaalsContact SD-CG1 3.54Å
163	E	77.1	Confident	69.4	Low	120 Å²	120	77.9 Å²	77.9	56%	0.561	40%	0.404	S	S	*	.			trans	-79.2	-26.5	-165.3	-62.6	178.8	172	0	0	113	N92 G94 R161	N92-E163 PolarHBondContact O-N 3.5Å; G94-E163 VanDerWaalsContact CA-CD 3.5Å; G94-E163 WeakPolarHBondContact CA-OE1 3.5Å; R161-E163 PolarHBondContact O-N 3.01Å
164	N	65.5	Low	67.3	Low	102 Å²	102	82.2 Å²	82.2	55%	0.545	42%	0.424	S	S	.	.			trans	-139.6	51.5	-165.5	-69.8	-51.8	0	0	0	113.5	N92 D166	N92-N164 HydrophobicContact CB-CB 4.41Å; N92-N164 WeakPolarHBondContact OD1-CB 3.31Å; N92-N164 PolarHBondContact OD1-O 3.27Å; N92-N164 VanDerWaalsContact OD1-O 3.09Å; N164-D166 PolarHBondContact O-N 3.2Å
165	I	60.9	Low	64.8	Low	54 Å²	54	86 Å²	86	28%	0.277	45%	0.445	S	S	.	.			trans	-82.1	118.9	-179.7	-53.1	-170.8	0	0	0	112.4	M137 M162 L170	M137-I165 HydrophobicContact CE-CD1 3.22Å; M137-I165 HydrophobicContact SD-CD1 3.71Å; M162-I165 HydrophobicContact CB-CD1 3.62Å; M162-I165 HydrophobicContact CB-CG1 3.78Å; M162-I165 HydrophobicContact CE-CD1 4.14Å; M162-I165 HydrophobicContact CE-CG1 3.83Å; M162-I165 HydrophobicContact CG-CD1 3.44Å; M162-I165 VanDerWaalsContact CG-CD1 3.44Å; M162-I165 HydrophobicContact CG-CG1 3.26Å; M162-I165 HydrophobicContact SD-CD1 3.3Å; M162-I165 WeakPolarHBondContact SD-CD1 3.37Å; M162-I165 HydrophobicContact SD-CG1 3.54Å; M162-I165 VanDerWaalsContact SD-CG1 3.54Å; I165-L170 HydrophobicContact CG2-CD1 4.07Å; I165-L170 HydrophobicContact CG2-CG 4.16Å
166	D	53.6	Low	62.2	Low	111 Å²	111	95.6 Å²	95.6	59%	0.594	49%	0.487	S	S	*	.			trans	-73	125.2	158.1	-152.6	-6.5	0	0	0	109.8	N164 T168 I169	N164-D166 PolarHBondContact O-N 3.2Å; D166-T168 PolarHBondContact O-N 3Å; D166-I169 PolarHBondContact O-N 3.37Å
167	S	51.9	Low	59.7	Low	90 Å²	90	97.6 Å²	97.6	63%	0.629	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-55	-14.7	-170.7	60.6	0	0	0	0	115.2	L170	S167-L170 PolarHBondContact O-N 3.5Å
168	T	48	Very low	57.4	Low	117 Å²	117	101 Å²	101	72%	0.718	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-72.5	-19.5	177	11.8	0	0	0	0	114.8	D166 L170	D166-T168 PolarHBondContact O-N 3Å; T168-L170 VanDerWaalsContact C-N 3.34Å
169	I	53.2	Low	55.4	Low	95 Å²	95	98.8 Å²	98.8	49%	0.487	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-80.3	-21.5	173.5	-60	179.2	0	0	0	111.1	D166 S171	D166-I169 PolarHBondContact O-N 3.37Å; I169-S171 PolarHBondContact O-N 3.14Å
170	L	49.8	Very low	53.5	Low	89 Å²	89	98.5 Å²	98.5	47%	0.466	52%	0.515	S	S	.	.			trans	-83.1	91	178.2	-73	165.6	0	0	0	110.3	M137 I165 S167 T168 P172	M137-L170 HydrophobicContact CE-CD2 3.37Å; M137-L170 HydrophobicContact CE-CG 4.25Å; I165-L170 HydrophobicContact CG2-CD1 4.07Å; I165-L170 HydrophobicContact CG2-CG 4.16Å; S167-L170 PolarHBondContact O-N 3.5Å; T168-L170 VanDerWaalsContact C-N 3.34Å; L170-P172 VanDerWaalsContact O-CD 3.29Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å
171	S	43.7	Very low	51.5	Low	69 Å²	69	96.3 Å²	96.3	48%	0.483	50%	0.503	S	S	.	.			trans	-68.5	121	158.7	70.9	0	0	0	0	108.3	I169 K173	I169-S171 PolarHBondContact O-N 3.14Å; S171-K173 PolarHBondContact O-N 3.43Å
172	P	36.6	Very low	49.6	Very low	133 Å²	133	95.7 Å²	95.7	86%	0.864	50%	0.501	S	S	*	.	S	Bend	trans	-71.1	13.5	-173.2	-17.9	31.5	0	0	0	115.6	L170	L170-P172 VanDerWaalsContact O-CD 3.29Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å
173	K	39.6	Very low	48	Very low	191 Å²	191	95.7 Å²	95.7	83%	0.83	50%	0.502	S	S	*	.			trans	-136.6	72.3	-173.5	-69.5	-175.1	178.2	178.5	0	110.9	S171	S171-K173 PolarHBondContact O-N 3.43Å
174	Q	41.6	Very low	46.4	Very low	93 Å²	93	100 Å²	100	44%	0.435	51%	0.513	S	S	.	.			trans	-126.4	97.4	160.5	-69.2	-170.5	19.5	0	0	109.4
175	I	36.7	Very low	45.2	Very low	139 Å²	139	98.4 Å²	98.4	71%	0.713	50%	0.504	S	S	*	.			trans	-23.9	126.6	173.8	-58.9	165.1	0	0	0	112.2	T177	I175-T177 WeakPolarHBondContact CG2-OG1 3.3Å; I175-T177 PolarHBondContact O-N 3.45Å; I175-T177 PolarHBondContact O-OG1 3.4Å
176	K	35.1	Very low	44.3	Very low	205 Å²	205	104 Å²	104	89%	0.891	53%	0.527	S	S	*	.			trans	-55.7	78.6	162.3	-68.4	-179.4	177.9	-177.6	0	109.3
177	T	36.9	Very low	43.6	Very low	42 Å²	42	101.8 Å²	101.8	26%	0.258	52%	0.515	S	S	.	.			trans	-103.8	112.1	174.8	-25.6	0	0	0	0	105	I175 F179 K181	I175-T177 WeakPolarHBondContact CG2-OG1 3.3Å; I175-T177 PolarHBondContact O-N 3.45Å; I175-T177 PolarHBondContact O-OG1 3.4Å; T177-F179 PolarHBondContact O-N 3.15Å; T177-K181 HydrophobicContact CG2-CB 3.71Å; T177-K181 HydrophobicContact CG2-CD 3.79Å; T177-K181 HydrophobicContact CG2-CG 4.38Å
178	P	42.9	Very low	42.6	Very low	71 Å²	71	103.7 Å²	103.7	46%	0.461	52%	0.522	S	S	.	.			trans	-49.4	139.2	176	-27	33.9	0	0	0	109.9	Q180 K181	P178-Q180 PolarHBondContact O-N 3.21Å; P178-K181 WeakPolarHBondContact O-CB 3.31Å; P178-K181 PolarHBondContact O-N 2.72Å
179	F	47.5	Very low	41.8	Very low	10 Å²	10	106.8 Å²	106.8	4%	0.044	53%	0.528	C	S	.	.	H	α-helix	trans	-52.2	-30.4	-178.9	-154	-101.8	0	0	0	112.4	I40 C43 V130 Y138 T156 T177 K181 I182	I40-F179 HydrophobicContact CD1-CD1 4.35Å; I40-F179 HydrophobicContact CD1-CE1 3.66Å; I40-F179 HydrophobicContact CD1-CZ 3.92Å; C43-F179 HydrophobicContact CB-CZ 4.18Å; C43-F179 WeakPolarHBondContact SG-CE2 3.03Å; C43-F179 WeakPolarHBondContact SG-CZ 3.43Å; V130-F179 HydrophobicContact CB-CD1 3.78Å; V130-F179 HydrophobicContact CB-CE1 3.84Å; V130-F179 HydrophobicContact CG2-CD1 3.45Å; V130-F179 VanDerWaalsContact CG2-CD1 3.45Å; V130-F179 HydrophobicContact CG2-CE1 3.29Å; Y138-F179 HydrophobicContact CE1-CD2 4.16Å; T156-F179 HydrophobicContact CG2-CE2 4.36Å; T177-F179 PolarHBondContact O-N 3.15Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3Å; F179-I182 HydrophobicContact CD2-CD1 3.91Å; F179-I182 HydrophobicContact CE2-CD1 4.29Å; F179-I182 WeakPolarHBondContact O-CB 3.33Å; F179-I182 PolarHBondContact O-N 3.3Å; F179-I182 VanDerWaalsContact O-N 3.07Å
180	Q	45.3	Very low	40.7	Very low	116 Å²	116	113.6 Å²	113.6	54%	0.542	57%	0.566	S	S	.	*	H	α-helix	trans	-55.5	-33.3	170.3	-66.5	-179.1	-16.8	0	0	114.8	P178	P178-Q180 PolarHBondContact O-N 3.21Å
181	K	44.5	Very low	40.3	Very low	126 Å²	126	114.8 Å²	114.8	55%	0.548	57%	0.571	S	S	.	*	H	α-helix	trans	-78.8	-28.6	175.2	-79.6	-172.1	179.1	-178.3	0	112.5	T177 P178 F179 L183 R184 D185	T177-K181 HydrophobicContact CG2-CB 3.71Å; T177-K181 HydrophobicContact CG2-CD 3.79Å; T177-K181 HydrophobicContact CG2-CG 4.38Å; P178-K181 WeakPolarHBondContact O-CB 3.31Å; P178-K181 PolarHBondContact O-N 2.72Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3Å; K181-L183 VanDerWaalsContact C-N 3.26Å; K181-L183 PolarHBondContact O-N 3.24Å; K181-R184 CarbonylContact O-C 3.51Å; K181-R184 WeakPolarHBondContact O-CA 3.31Å; K181-R184 PolarHBondContact O-N 3.5Å; K181-D185 PolarHBondContact O-N 2.89Å
182	I	47.5	Very low	40.1	Very low	16 Å²	16	117.2 Å²	117.2	8%	0.082	58%	0.576	C	S	.	*	H	α-helix	trans	-64.9	-33.6	179.2	-59.5	177.7	0	0	0	111.3	Y138 F179 R184	Y138-I182 HydrophobicContact CD1-CD1 4.17Å; Y138-I182 HydrophobicContact CE1-CD1 3.71Å; F179-I182 HydrophobicContact CD2-CD1 3.91Å; F179-I182 HydrophobicContact CE2-CD1 4.29Å; F179-I182 WeakPolarHBondContact O-CB 3.33Å; F179-I182 PolarHBondContact O-N 3.3Å; F179-I182 VanDerWaalsContact O-N 3.07Å; I182-R184 VanDerWaalsContact C-N 3.31Å
183	L	50	Low	40.3	Very low	21 Å²	21	116.3 Å²	116.3	11%	0.11	56%	0.56	C	S	.	*	H	α-helix	trans	-69.8	-29	172.3	-63.6	-179.3	0	0	0	113.1	R24 F107 V130 K181	R24-L183 PolarHBondContact NH2-O 3.41Å; F107-L183 HydrophobicContact CE1-CD2 3.81Å; F107-L183 HydrophobicContact CE2-CD2 3.72Å; F107-L183 HydrophobicContact CZ-CD1 4.4Å; F107-L183 HydrophobicContact CZ-CD2 3.29Å; F107-L183 HydrophobicContact CZ-CG 4.33Å; V130-L183 HydrophobicContact CG2-CD1 3.71Å; V130-L183 HydrophobicContact CG2-CD2 4.39Å; V130-L183 HydrophobicContact CG2-CG 4.33Å; K181-L183 VanDerWaalsContact C-N 3.26Å; K181-L183 PolarHBondContact O-N 3.24Å
184	R	43.6	Very low	40.3	Very low	210 Å²	210	111.9 Å²	111.9	79%	0.792	54%	0.544	S	S	*	.	H	α-helix	trans	-98.6	-0.3	-176.9	-68	-170.4	176.1	-137.4	0.3	114.2	K181 I182 K186	K181-R184 CarbonylContact O-C 3.51Å; K181-R184 WeakPolarHBondContact O-CA 3.31Å; K181-R184 PolarHBondContact O-N 3.5Å; I182-R184 VanDerWaalsContact C-N 3.31Å; R184-K186 VanDerWaalsContact C-N 3.28Å; R184-K186 PolarHBondContact O-N 3.11Å
185	D	41.3	Very low	40.3	Very low	69 Å²	69	113.1 Å²	113.1	37%	0.369	55%	0.55	S	S	.	*			trans	-60.2	96.3	169.7	-101.3	-7.3	0	0	0	107.6	R24 K181 D187	R24-D185 PolarHBondContact NH2-O 3.05Å; K181-D185 PolarHBondContact O-N 2.89Å; D185-D187 PolarHBondContact O-N 3.48Å
186	K	40.7	Very low	40.5	Very low	171 Å²	171	111.4 Å²	111.4	74%	0.743	54%	0.54	S	S	*	.			trans	-68.1	111.4	145.5	-67.9	-168.9	174.1	-170.2	0	103.6	R184 V188	R184-K186 VanDerWaalsContact C-N 3.28Å; R184-K186 PolarHBondContact O-N 3.11Å; K186-V188 VanDerWaalsContact C-N 3.33Å; K186-V188 PolarHBondContact O-N 3.14Å
187	D	38.4	Very low	40.9	Very low	64 Å²	64	104.7 Å²	104.7	34%	0.342	51%	0.514	S	S	.	.			trans	-57.2	105.3	171.5	-69.1	-44.1	0	0	0	105.9	K49 D185 E189	K49-D187 WeakPolarHBondContact CE-OD2 3.19Å; K49-D187 IonicContact NZ-OD2 3.25Å; D185-D187 PolarHBondContact O-N 3.48Å; D187-E189 PolarHBondContact O-N 3.27Å
188	V	31.3	Very low	41.2	Very low	130 Å²	130	109.5 Å²	109.5	79%	0.788	53%	0.534	S	S	*	.			trans	-62.9	123.2	169.5	176.1	0	0	0	0	105.7	K186 D190	K186-V188 VanDerWaalsContact C-N 3.33Å; K186-V188 PolarHBondContact O-N 3.14Å; V188-D190 PolarHBondContact O-N 2.87Å
189	E	32.6	Very low	41.1	Very low	182 Å²	182	112.8 Å²	112.8	85%	0.85	54%	0.54	S	S	*	.			trans	-58.5	128.3	172.8	-69	175.4	149.4	0	0	109.4	D187	D187-E189 PolarHBondContact O-N 3.27Å
190	D	30	Very low	40.5	Very low	238 Å²	238	122.1 Å²	122.1	100%	1.273	59%	0.585	S	S	*	*			trans	-124.3	0	146.8	-81.9	-32.9	0	0	0	106.7	V188	V188-D190 PolarHBondContact O-N 2.87Å

Retrieved 190 of 190 residues in 39.3 ms (Link to these results)

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