A0A3Q0KMN7_SCHMA Loading...

Putative leucine-rich repeat-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 253 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	44.8	Very low	77.6	Confident	214 Å²	214	102.5 Å²	102.5	100%	1.054	53%	0.529	S	S	*	.				0	115.4	0	-79.1	-180	-100.8	0	0	106.3
2	A	45.8	Very low	78.9	Confident	94 Å²	94	100.2 Å²	100.2	78%	0.777	52%	0.524	S	S	*	.			trans	-51.4	138.7	177	0	0	0	0	0	109.7	V4	A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 3.18Å
3	N	55.4	Low	79.8	Confident	162 Å²	162	103 Å²	103	87%	0.866	54%	0.54	S	S	*	.			trans	-37.3	81.6	178.1	-79.6	-19.2	0	0	0	113.4	S5	N3-S5 PolarHBondContact O-N 2.99Å
4	V	65.8	Low	80.5	Confident	75 Å²	75	97.2 Å²	97.2	46%	0.455	51%	0.51	S	S	.	.			trans	-74.7	112.4	160.5	-176.3	0	0	0	0	103.8	A2 L6 L8 Y9	A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 3.18Å; V4-L6 PolarHBondContact O-N 3.35Å; V4-L8 HydrophobicContact CG1-CB 4.29Å; V4-L8 HydrophobicContact CG1-CD1 3.63Å; V4-Y9 HydrophobicContact CB-CE2 4.09Å; V4-Y9 HydrophobicContact CG1-CE2 3.64Å; V4-Y9 WeakPolarHBondContact CG1-OH 3.25Å
5	S	86.6	Confident	81.2	Confident	37 Å²	37	99.2 Å²	99.2	26%	0.259	53%	0.528	S	S	.	.			trans	-51	131.2	179.2	171.2	0	0	0	0	109.5	N3 R7 L8 E36	N3-S5 PolarHBondContact O-N 2.99Å; S5-R7 PolarHBondContact O-N 3.02Å; S5-R7 WeakPolarHBondContact OG-CB 3.29Å; S5-R7 PolarHBondContact OG-N 2.55Å; S5-L8 WeakPolarHBondContact O-CB 3.33Å; S5-L8 PolarHBondContact O-N 2.76Å; S5-E36 WeakPolarHBondContact CA-OE1 3.33Å; S5-E36 VanDerWaalsContact CB-OE1 3.29Å; S5-E36 WeakPolarHBondContact CB-OE1 3.39Å; S5-E36 PolarHBondContact OG-OE1 3.42Å
6	L	90.5	Very high	81.7	Confident	12 Å²	12	100.4 Å²	100.4	6%	0.063	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-53.6	-26.6	176.3	-78.8	178.2	0	0	0	111.8	V4 L8 Y9 L23 L25 P34 E36 L37 L40	V4-L6 PolarHBondContact O-N 3.35Å; L6-L8 PolarHBondContact O-N 2.83Å; L6-Y9 PolarHBondContact O-N 3.33Å; L6-L23 HydrophobicContact CB-CD2 4.33Å; L6-L25 HydrophobicContact CD1-CD2 4.42Å; L6-L25 HydrophobicContact CD2-CD2 4.15Å; L6-P34 HydrophobicContact CD1-CB 3.91Å; L6-P34 HydrophobicContact CD1-CG 4.05Å; L6-E36 PolarHBondContact N-OE1 2.99Å; L6-L37 HydrophobicContact CD1-CB 3.86Å; L6-L40 HydrophobicContact CB-CD1 3.84Å
7	R	91.8	Very high	82.3	Confident	150 Å²	150	96.5 Å²	96.5	57%	0.566	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-57.5	-27.8	176.7	-157.6	172.6	-161.6	-142.6	2.1	114.2	S5 Y9 I10 L40 E42	S5-R7 PolarHBondContact O-N 3.02Å; S5-R7 WeakPolarHBondContact OG-CB 3.29Å; S5-R7 PolarHBondContact OG-N 2.55Å; R7-Y9 PolarHBondContact O-N 2.93Å; R7-I10 HydrophobicContact CG-CD1 4Å; R7-I10 WeakPolarHBondContact O-CG1 3.29Å; R7-I10 PolarHBondContact O-N 2.92Å; R7-L40 HydrophobicContact CB-CD2 3.84Å; R7-L40 HydrophobicContact CG-CD2 3.94Å; R7-E42 IonicContact CZ-OE1 3.23Å; R7-E42 VanDerWaalsContact CZ-OE1 3.26Å; R7-E42 IonicContact NE-OE1 2.79Å; R7-E42 PolarHBondContact NE-OE1 2.79Å; R7-E42 IonicContact NH2-OE1 2.89Å; R7-E42 PolarHBondContact NH2-OE1 3.08Å
8	L	91.4	Very high	82.8	Confident	134 Å²	134	96.7 Å²	96.7	70%	0.702	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-74.7	-15.9	178.3	-66.9	171.2	0	0	0	112.9	V4 S5 L6	V4-L8 HydrophobicContact CG1-CB 4.29Å; V4-L8 HydrophobicContact CG1-CD1 3.63Å; S5-L8 WeakPolarHBondContact O-CB 3.33Å; S5-L8 PolarHBondContact O-N 2.76Å; L6-L8 PolarHBondContact O-N 2.83Å
9	Y	92.4	Very high	83.4	Confident	129 Å²	129	94.6 Å²	94.6	51%	0.506	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-98.1	10.5	177	-57.4	-75.7	0	0	0	112.6	V4 L6 R7 E11 L23	V4-Y9 HydrophobicContact CB-CE2 4.09Å; V4-Y9 HydrophobicContact CG1-CE2 3.64Å; V4-Y9 WeakPolarHBondContact CG1-OH 3.25Å; L6-Y9 PolarHBondContact O-N 3.33Å; R7-Y9 PolarHBondContact O-N 2.93Å; Y9-E11 PolarHBondContact O-N 3.14Å; Y9-L23 WeakPolarHBondContact O-CD1 3.39Å
10	I	94.8	Very high	84.1	Confident	34 Å²	34	91 Å²	91	17%	0.174	50%	0.502	C	S	.	.			trans	-76.5	116.7	173.4	-60.7	179.6	0	0	0	108.8	R7 K21 R22 L40 E42 L43	R7-I10 HydrophobicContact CG-CD1 4Å; R7-I10 WeakPolarHBondContact O-CG1 3.29Å; R7-I10 PolarHBondContact O-N 2.92Å; I10-K21 HydrophobicContact CG2-CB 3.79Å; I10-K21 HydrophobicContact CG2-CG 4.21Å; I10-R22 CarbonylContact C-O 3.29Å; I10-R22 VanDerWaalsContact CA-O 3.26Å; I10-R22 WeakPolarHBondContact CA-O 3.16Å; I10-L40 HydrophobicContact CD1-CD1 4.26Å; I10-L40 HydrophobicContact CD1-CD2 4.48Å; I10-E42 HydrophobicContact CD1-CG 4.36Å; I10-L43 HydrophobicContact CD1-CD2 3.8Å; I10-L43 HydrophobicContact CD1-CG 4.49Å; I10-L43 HydrophobicContact CG1-CD2 3.89Å; I10-L43 HydrophobicContact CG2-CD2 4.33Å
11	E	94.7	Very high	84.7	Confident	86 Å²	86	90.6 Å²	90.6	40%	0.402	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-92.8	151.9	175.7	-65.1	165.9	176.7	0	0	110.1	Y9 R22	Y9-E11 PolarHBondContact O-N 3.14Å; E11-R22 PolarHBondContact N-O 3.03Å; E11-R22 PolarHBondContact O-N 3.13Å; E11-R22 IonicContact OE2-CZ 2.78Å; E11-R22 IonicContact OE2-NH1 2.78Å; E11-R22 PolarHBondContact OE2-NH1 3.06Å
12	T	93	Very high	87.2	Confident	75 Å²	75	81.7 Å²	81.7	46%	0.46	45%	0.45	S	S	.	.	S	Bend	trans	-132.3	-6.5	174.7	54.7	0	0	0	0	113.5	G19 K21	T12-G19 WeakPolarHBondContact O-CA 3.37Å; T12-G19 PolarHBondContact O-N 3Å; T12-K21 HydrophobicContact CG2-CG 4.01Å
13	D	90.7	Very high	89.7	Confident	137 Å²	137	77.2 Å²	77.2	73%	0.733	41%	0.413	S	S	*	.			trans	-107.9	16.9	-177.6	58.7	-29.4	0	0	0	112.4	T15	D13-T15 PolarHBondContact O-N 3.22Å
14	D	89.8	Confident	91.5	Very high	22 Å²	22	72.2 Å²	72.2	12%	0.118	38%	0.384	C	S	.	.			trans	-57.2	131.3	173	-177.8	-82.6	0	0	0	110.6	D16 Y17 P18 R22	D14-D16 VanDerWaalsContact C-N 3.32Å; D14-D16 PolarHBondContact O-N 3.09Å; D14-D16 WeakPolarHBondContact OD1-CA 3.32Å; D14-D16 WeakPolarHBondContact OD1-CB 3.48Å; D14-D16 PolarHBondContact OD1-N 3.22Å; D14-Y17 CarbonylContact O-C 3.44Å; D14-Y17 PolarHBondContact O-N 3.09Å; D14-Y17 WeakPolarHBondContact OD1-CD2 3.43Å; D14-Y17 PolarHBondContact OD1-N 3.37Å; D14-P18 VanDerWaalsContact O-CA 3.3Å; D14-P18 WeakPolarHBondContact O-CA 3.22Å; D14-P18 VanDerWaalsContact O-N 3.14Å; D14-R22 VanDerWaalsContact CG-CD 3.43Å; D14-R22 WeakPolarHBondContact OD2-CD 3.23Å; D14-R22 IonicContact OD2-CZ 2.89Å; D14-R22 IonicContact OD2-NE 3.67Å; D14-R22 PolarHBondContact OD2-NE 2.94Å; D14-R22 VanDerWaalsContact OD2-NE 3.12Å; D14-R22 IonicContact OD2-NH1 3.62Å
15	T	89.8	Confident	92.7	Very high	127 Å²	127	68.7 Å²	68.7	78%	0.779	36%	0.362	S	S	*	.	S	Bend	trans	-69.3	-30.9	-174.6	49.1	0	0	0	0	113.1	D13	D13-T15 PolarHBondContact O-N 3.22Å
16	D	90.2	Very high	92.5	Very high	119 Å²	119	71.7 Å²	71.7	64%	0.636	37%	0.372	S	S	*	.	S	Bend	trans	-82.6	-28.4	-178.9	-61.5	-25.6	0	0	0	110.7	D14 P18	D14-D16 VanDerWaalsContact C-N 3.32Å; D14-D16 PolarHBondContact O-N 3.09Å; D14-D16 WeakPolarHBondContact OD1-CA 3.32Å; D14-D16 WeakPolarHBondContact OD1-CB 3.48Å; D14-D16 PolarHBondContact OD1-N 3.22Å; D16-P18 VanDerWaalsContact C-CD 3.5Å
17	Y	92.2	Very high	92.1	Very high	33 Å²	33	72 Å²	72	13%	0.129	38%	0.378	C	S	.	.	S	Bend	trans	-132.1	57.1	-174.8	-49.7	-60	0	0	0	113.3	D14 G19 L20 V45 I75 I77 K98	D14-Y17 CarbonylContact O-C 3.44Å; D14-Y17 PolarHBondContact O-N 3.09Å; D14-Y17 WeakPolarHBondContact OD1-CD2 3.43Å; D14-Y17 PolarHBondContact OD1-N 3.37Å; Y17-G19 PolarHBondContact O-N 2.94Å; Y17-L20 WeakPolarHBondContact O-CB 3.18Å; Y17-L20 PolarHBondContact O-N 2.7Å; Y17-L20 VanDerWaalsContact O-N 3.1Å; Y17-V45 HydrophobicContact CD2-CG1 3.85Å; Y17-V45 HydrophobicContact CD2-CG2 4.27Å; Y17-V45 HydrophobicContact CE2-CG1 4.03Å; Y17-V45 HydrophobicContact CG-CG1 4.4Å; Y17-V45 HydrophobicContact CG-CG2 4.01Å; Y17-I75 HydrophobicContact CD1-CD1 3.17Å; Y17-I75 HydrophobicContact CE1-CD1 3.17Å; Y17-I75 HydrophobicContact CE1-CG2 4.36Å; Y17-I75 HydrophobicContact CG-CD1 3.99Å; Y17-I77 HydrophobicContact CE2-CD1 4.35Å; Y17-K98 PolarHBondContact OH-NZ 3.45Å
18	P	90.1	Very high	91.7	Very high	100 Å²	100	70.1 Å²	70.1	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	131.9	-171.1	24.4	-34.9	0	0	0	112.3	D14 D16 L20	D14-P18 VanDerWaalsContact O-CA 3.3Å; D14-P18 WeakPolarHBondContact O-CA 3.22Å; D14-P18 VanDerWaalsContact O-N 3.14Å; D16-P18 VanDerWaalsContact C-CD 3.5Å; P18-L20 PolarHBondContact O-N 2.92Å
19	G	94.1	Very high	91.3	Very high	58 Å²	58	66 Å²	66	60%	0.598	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-2.5	179.6	0	0	0	0	0	114.9	T12 Y17	T12-G19 WeakPolarHBondContact O-CA 3.37Å; T12-G19 PolarHBondContact O-N 3Å; Y17-G19 PolarHBondContact O-N 2.94Å
20	L	97.4	Very high	90.9	Very high	22 Å²	22	60 Å²	60	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-90.6	141.4	173.9	-55.4	-168.6	0	0	0	111	Y17 P18 R22 Q44 V45 R74 I75	Y17-L20 WeakPolarHBondContact O-CB 3.18Å; Y17-L20 PolarHBondContact O-N 2.7Å; Y17-L20 VanDerWaalsContact O-N 3.1Å; P18-L20 PolarHBondContact O-N 2.92Å; L20-R22 PolarHBondContact O-N 3.34Å; L20-R22 VanDerWaalsContact O-N 3.16Å; L20-Q44 HydrophobicContact CB-CB 4.13Å; L20-V45 HydrophobicContact CB-CG2 3.83Å; L20-V45 HydrophobicContact CD1-CG2 3.8Å; L20-V45 HydrophobicContact CG-CG2 4.47Å; L20-R74 VanDerWaalsContact CD2-NH1 3.31Å; L20-I75 HydrophobicContact CD1-CD1 4.37Å
21	K	98	Very high	90.4	Very high	83 Å²	83	64 Å²	64	36%	0.361	35%	0.348	S	S	.	.			trans	-74.4	104.4	174.1	-68.8	179.6	-179.5	-179.2	0	110	I10 T12 E42 Q44 V45	I10-K21 HydrophobicContact CG2-CB 3.79Å; I10-K21 HydrophobicContact CG2-CG 4.21Å; T12-K21 HydrophobicContact CG2-CG 4.01Å; K21-E42 HydrophobicContact CD-CB 3.85Å; K21-E42 HydrophobicContact CD-CG 3.74Å; K21-E42 WeakPolarHBondContact CD-O 3.42Å; K21-Q44 PolarHBondContact O-N 2.6Å; K21-V45 PolarHBondContact O-N 3.04Å
22	R	97.5	Very high	90.1	Very high	26 Å²	26	65.3 Å²	65.3	10%	0.098	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.6	-174.6	178.5	179	177.4	-78.7	-1.4	111.4	I10 E11 D14 L20 V45 D47	I10-R22 CarbonylContact C-O 3.29Å; I10-R22 VanDerWaalsContact CA-O 3.26Å; I10-R22 WeakPolarHBondContact CA-O 3.16Å; E11-R22 PolarHBondContact N-O 3.03Å; E11-R22 PolarHBondContact O-N 3.13Å; E11-R22 IonicContact OE2-CZ 2.78Å; E11-R22 IonicContact OE2-NH1 2.78Å; E11-R22 PolarHBondContact OE2-NH1 3.06Å; D14-R22 VanDerWaalsContact CG-CD 3.43Å; D14-R22 WeakPolarHBondContact OD2-CD 3.23Å; D14-R22 IonicContact OD2-CZ 2.89Å; D14-R22 IonicContact OD2-NE 3.67Å; D14-R22 PolarHBondContact OD2-NE 2.94Å; D14-R22 VanDerWaalsContact OD2-NE 3.12Å; D14-R22 IonicContact OD2-NH1 3.62Å; L20-R22 PolarHBondContact O-N 3.34Å; L20-R22 VanDerWaalsContact O-N 3.16Å; R22-V45 CarbonylContact C-O 3.37Å; R22-V45 VanDerWaalsContact CA-O 3.31Å; R22-V45 WeakPolarHBondContact CA-O 3.28Å; R22-V45 HydrophobicContact CB-CB 3.87Å; R22-V45 HydrophobicContact CB-CG1 4.34Å; R22-V45 HydrophobicContact CG-CB 3.88Å; R22-V45 HydrophobicContact CG-CG1 3.8Å; R22-D47 IonicContact NH2-OD2 3.28Å
23	L	96.6	Very high	90.1	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.4	167.1	179.8	65.3	0	0	0	109.5	L6 Y9 L25 L37 L40 L43 V45 L46 D47	L6-L23 HydrophobicContact CB-CD2 4.33Å; Y9-L23 WeakPolarHBondContact O-CD1 3.39Å; L23-L25 HydrophobicContact CD2-CD2 4.45Å; L23-L37 HydrophobicContact CD2-CD1 3.5Å; L23-L40 HydrophobicContact CD2-CD1 3.85Å; L23-L43 HydrophobicContact CB-CD1 4.15Å; L23-L43 HydrophobicContact CB-CD2 3.63Å; L23-L43 HydrophobicContact CD2-CD1 3.99Å; L23-V45 PolarHBondContact N-O 3.1Å; L23-L46 HydrophobicContact CB-CD1 4.44Å; L23-L46 WeakPolarHBondContact O-CA 3.34Å; L23-D47 PolarHBondContact O-N 3.18Å
24	K	94.1	Very high	90.2	Very high	57 Å²	57	58.3 Å²	58.3	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.8	169.2	-178.2	177.5	179.8	103.3	0	109.2	Q26 D47	K24-Q26 HydrophobicContact CD-CG 4.38Å; K24-Q26 HydrophobicContact CG-CG 4.18Å; K24-D47 CarbonylContact C-O 3.28Å; K24-D47 VanDerWaalsContact CA-O 3.31Å; K24-D47 WeakPolarHBondContact CA-O 3.28Å; K24-D47 HydrophobicContact CB-CB 4.14Å; K24-D47 HydrophobicContact CG-CB 4Å; K24-D47 IonicContact NZ-OD1 3.7Å; K24-D47 IonicContact NZ-OD2 3.5Å; K24-D47 PolarHBondContact NZ-OD2 2.7Å
25	L	91.6	Very high	90.4	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	34%	0.343	C	S	.	.			trans	-77.2	143.5	167	-66.9	-168.8	0	0	0	110	L6 L23 D29 L30 V33 L37 D47 M48	L6-L25 HydrophobicContact CD1-CD2 4.42Å; L6-L25 HydrophobicContact CD2-CD2 4.15Å; L23-L25 HydrophobicContact CD2-CD2 4.45Å; L25-D29 HydrophobicContact CD2-CB 4.42Å; L25-L30 HydrophobicContact CB-CD2 3.74Å; L25-L30 HydrophobicContact CB-CG 4.41Å; L25-L30 HydrophobicContact CD1-CD2 4.36Å; L25-V33 HydrophobicContact CD1-CG1 4.14Å; L25-L37 HydrophobicContact CD1-CD2 4.04Å; L25-D47 PolarHBondContact N-O 3Å; L25-M48 HydrophobicContact CD1-CE 3.65Å; L25-M48 HydrophobicContact CD1-CG 4.15Å; L25-M48 HydrophobicContact CG-CG 4.41Å
26	Q	81.8	Confident	90.6	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	32%	0.322	S	S	.	.			trans	-136.9	151.3	-177.7	-64.6	176.9	-5.4	0	0	110.7	K24 K28 D29 E51	K24-Q26 HydrophobicContact CD-CG 4.38Å; K24-Q26 HydrophobicContact CG-CG 4.18Å; Q26-K28 PolarHBondContact O-N 3.24Å; Q26-D29 PolarHBondContact O-N 3.02Å; Q26-E51 HydrophobicContact CG-CG 4.43Å; Q26-E51 VanDerWaalsContact CG-OE1 3.3Å; Q26-E51 WeakPolarHBondContact CG-OE1 3.38Å; Q26-E51 PolarHBondContact NE2-OE1 2.96Å; Q26-E51 PolarHBondContact OE1-OE1 3.08Å
27	G	82.3	Confident	90.9	Very high	19 Å²	19	52.5 Å²	52.5	20%	0.196	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	57.4	-135.8	171.5	0	0	0	0	0	113.4	D29 L30 Y58	G27-D29 PolarHBondContact O-N 3.32Å; G27-L30 WeakPolarHBondContact O-CB 3.33Å; G27-L30 PolarHBondContact O-N 3.27Å; G27-Y58 VanDerWaalsContact C-CG 3.48Å; G27-Y58 VanDerWaalsContact CA-CD2 3.48Å; G27-Y58 WeakPolarHBondContact O-CB 3.33Å
28	K	83	Confident	91.1	Very high	110 Å²	110	51.3 Å²	51.3	48%	0.478	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-57.7	-20.5	-175.6	64.1	172.6	-173.3	163.7	0	114.7	Q26 L30 E31 N32 Y58	Q26-K28 PolarHBondContact O-N 3.24Å; K28-L30 PolarHBondContact O-N 2.87Å; K28-E31 PolarHBondContact O-N 3.08Å; K28-E31 VanDerWaalsContact O-N 3.12Å; K28-N32 PolarHBondContact O-N 2.97Å; K28-Y58 HydrophobicContact CB-CE1 4.08Å; K28-Y58 HydrophobicContact CB-CE2 4.14Å; K28-Y58 VanDerWaalsContact N-CD2 3.31Å
29	D	83.9	Confident	91.4	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-70.9	-16	179.2	-63.4	-15.9	0	0	0	111.2	L25 Q26 G27 N32 V33 P34	L25-D29 HydrophobicContact CD2-CB 4.42Å; Q26-D29 PolarHBondContact O-N 3.02Å; G27-D29 PolarHBondContact O-N 3.32Å; D29-N32 CarbonylContact O-C 3.44Å; D29-V33 WeakPolarHBondContact O-CA 3.49Å; D29-V33 PolarHBondContact O-N 3Å; D29-P34 HydrophobicContact CB-CG 4.31Å
30	L	83.7	Confident	91.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.1	169.7	-64.4	175.5	0	0	0	112.8	L25 G27 K28 M48 P50 L60	L25-L30 HydrophobicContact CB-CD2 3.74Å; L25-L30 HydrophobicContact CB-CG 4.41Å; L25-L30 HydrophobicContact CD1-CD2 4.36Å; G27-L30 WeakPolarHBondContact O-CB 3.33Å; G27-L30 PolarHBondContact O-N 3.27Å; K28-L30 PolarHBondContact O-N 2.87Å; L30-M48 HydrophobicContact CD2-CB 3.74Å; L30-M48 VanDerWaalsContact CD2-O 3.27Å; L30-M48 WeakPolarHBondContact CD2-O 3.33Å; L30-P50 HydrophobicContact CD1-CB 4.13Å; L30-P50 HydrophobicContact CD1-CG 4.04Å; L30-L60 HydrophobicContact CD2-CG 4.46Å; L30-L60 WeakPolarHBondContact O-CD2 3.34Å
31	E	84.9	Confident	91.5	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.561	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-37.2	175.1	-175	-176.5	-168	0	0	110.9	K28 Y58	K28-E31 PolarHBondContact O-N 3.08Å; K28-E31 VanDerWaalsContact O-N 3.12Å; E31-Y58 HydrophobicContact CB-CD1 3.81Å; E31-Y58 VanDerWaalsContact OE2-CD1 3.29Å; E31-Y58 WeakPolarHBondContact OE2-CD1 3.5Å; E31-Y58 WeakPolarHBondContact OE2-CE1 3.29Å
32	N	87.1	Confident	91.4	Very high	113 Å²	113	53.9 Å²	53.9	60%	0.604	27%	0.273	S	S	*	.	S	Bend	trans	-129.1	82.6	178.6	-64.7	-80	0	0	0	109.9	K28 D29 P34	K28-N32 PolarHBondContact O-N 2.97Å; D29-N32 CarbonylContact O-C 3.44Å; N32-P34 VanDerWaalsContact O-CD 3.28Å; N32-P34 WeakPolarHBondContact O-CD 3.3Å
33	V	93.3	Very high	91.5	Very high	28 Å²	28	52.6 Å²	52.6	17%	0.17	27%	0.268	C	S	.	.			trans	-58.6	117.9	-178.4	-177.5	0	0	0	0	110.5	L25 D29 A35 L37 F38 M48 L60 P64	L25-V33 HydrophobicContact CD1-CG1 4.14Å; D29-V33 WeakPolarHBondContact O-CA 3.49Å; D29-V33 PolarHBondContact O-N 3Å; V33-A35 PolarHBondContact O-N 3.01Å; V33-L37 HydrophobicContact CG1-CD2 3.61Å; V33-F38 HydrophobicContact CG1-CE2 3.87Å; V33-F38 HydrophobicContact CG1-CZ 3.64Å; V33-M48 HydrophobicContact CB-CE 4.43Å; V33-M48 HydrophobicContact CG1-CE 3.9Å; V33-M48 HydrophobicContact CG2-CE 3.58Å; V33-L60 HydrophobicContact CG2-CD2 3.51Å; V33-P64 HydrophobicContact CB-CG 4.26Å; V33-P64 HydrophobicContact CG2-CG 4.3Å
34	P	92.7	Very high	91.6	Very high	36 Å²	36	55 Å²	55	23%	0.234	28%	0.279	C	S	.	.			trans	-66.7	129.3	-178.1	-20.5	32.4	0	0	0	111.3	L6 D29 N32 E36 L37	L6-P34 HydrophobicContact CD1-CB 3.91Å; L6-P34 HydrophobicContact CD1-CG 4.05Å; D29-P34 HydrophobicContact CB-CG 4.31Å; N32-P34 VanDerWaalsContact O-CD 3.28Å; N32-P34 WeakPolarHBondContact O-CD 3.3Å; P34-E36 PolarHBondContact O-N 3.47Å; P34-E36 VanDerWaalsContact O-N 3.09Å; P34-L37 WeakPolarHBondContact O-CB 3.21Å; P34-L37 PolarHBondContact O-N 2.97Å
35	A	93.5	Very high	91.8	Very high	74 Å²	74	52.3 Å²	52.3	61%	0.612	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.2	-180	0	0	0	0	0	113.7	V33 L37 F38	V33-A35 PolarHBondContact O-N 3.01Å; A35-L37 PolarHBondContact O-N 3.19Å; A35-F38 PolarHBondContact O-N 2.96Å
36	E	94.7	Very high	92.1	Very high	72 Å²	72	52.3 Å²	52.3	34%	0.336	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-56.8	-30.3	173.5	-174.3	-174.6	164.3	0	0	112.4	S5 L6 P34 F38 M39	S5-E36 WeakPolarHBondContact CA-OE1 3.33Å; S5-E36 VanDerWaalsContact CB-OE1 3.29Å; S5-E36 WeakPolarHBondContact CB-OE1 3.39Å; S5-E36 PolarHBondContact OG-OE1 3.42Å; L6-E36 PolarHBondContact N-OE1 2.99Å; P34-E36 PolarHBondContact O-N 3.47Å; P34-E36 VanDerWaalsContact O-N 3.09Å; E36-F38 PolarHBondContact O-N 3.37Å; E36-M39 VanDerWaalsContact O-CB 3.29Å; E36-M39 WeakPolarHBondContact O-CB 3.46Å; E36-M39 PolarHBondContact O-N 3.33Å
37	L	96.3	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-50.8	-47.6	177.1	172.7	64.6	0	0	0	111.3	L6 L23 L25 V33 P34 A35 M39 L40 L43 L46 M48	L6-L37 HydrophobicContact CD1-CB 3.86Å; L23-L37 HydrophobicContact CD2-CD1 3.5Å; L25-L37 HydrophobicContact CD1-CD2 4.04Å; V33-L37 HydrophobicContact CG1-CD2 3.61Å; P34-L37 WeakPolarHBondContact O-CB 3.21Å; P34-L37 PolarHBondContact O-N 2.97Å; A35-L37 PolarHBondContact O-N 3.19Å; L37-M39 PolarHBondContact O-N 3.18Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 3.02Å; L37-L43 HydrophobicContact CD1-CD1 3.81Å; L37-L46 HydrophobicContact CD1-CD1 3.87Å; L37-L46 HydrophobicContact CD1-CD2 4.35Å; L37-L46 HydrophobicContact CD2-CD1 4.48Å; L37-L46 HydrophobicContact CD2-CD2 4.15Å; L37-M48 HydrophobicContact CD2-CE 4.3Å
38	F	96.8	Very high	93.5	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.039	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-74.4	-7	-174.1	-51.5	-65.5	0	0	0	112.9	V33 A35 E36 P64 D66 I67 Y69	V33-F38 HydrophobicContact CG1-CE2 3.87Å; V33-F38 HydrophobicContact CG1-CZ 3.64Å; A35-F38 PolarHBondContact O-N 2.96Å; E36-F38 PolarHBondContact O-N 3.37Å; F38-P64 HydrophobicContact CE2-CB 4.08Å; F38-P64 HydrophobicContact CE2-CG 4.39Å; F38-P64 HydrophobicContact CZ-CB 3.67Å; F38-P64 HydrophobicContact CZ-CG 3.87Å; F38-D66 HydrophobicContact CB-CB 3.91Å; F38-D66 HydrophobicContact CD1-CB 3.83Å; F38-D66 WeakPolarHBondContact CD1-O 3.35Å; F38-D66 HydrophobicContact CD2-CB 3.44Å; F38-D66 VanDerWaalsContact CD2-CB 3.44Å; F38-D66 HydrophobicContact CE1-CB 4.19Å; F38-D66 HydrophobicContact CE2-CB 3.85Å; F38-D66 HydrophobicContact CG-CB 3.43Å; F38-D66 VanDerWaalsContact CG-CB 3.43Å; F38-D66 HydrophobicContact CZ-CB 4.2Å; F38-I67 HydrophobicContact CE1-CB 4.35Å; F38-I67 HydrophobicContact CE1-CD1 4.36Å; F38-Y69 HydrophobicContact CB-CD2 4.2Å
39	M	95.7	Very high	94	Very high	147 Å²	147	42.4 Å²	42.4	72%	0.724	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-85.4	-16.2	170.6	-56.1	-62.5	-69.2	0	0	112.5	E36 L37 R41	E36-M39 VanDerWaalsContact O-CB 3.29Å; E36-M39 WeakPolarHBondContact O-CB 3.46Å; E36-M39 PolarHBondContact O-N 3.33Å; L37-M39 PolarHBondContact O-N 3.18Å; M39-R41 PolarHBondContact O-N 3.24Å
40	L	97.2	Very high	94.3	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	22%	0.215	C	C	.	.			trans	-80.9	61.1	-179.1	-55	176.9	0	0	0	111.2	L6 R7 I10 L23 L37 E42 L43	L6-L40 HydrophobicContact CB-CD1 3.84Å; R7-L40 HydrophobicContact CB-CD2 3.84Å; R7-L40 HydrophobicContact CG-CD2 3.94Å; I10-L40 HydrophobicContact CD1-CD1 4.26Å; I10-L40 HydrophobicContact CD1-CD2 4.48Å; L23-L40 HydrophobicContact CD2-CD1 3.85Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 3.02Å; L40-E42 WeakPolarHBondContact CA-OE2 3.47Å; L40-E42 PolarHBondContact O-N 3.12Å; L40-L43 HydrophobicContact CB-CD1 3.71Å; L40-L43 HydrophobicContact CB-CG 3.79Å; L40-L43 HydrophobicContact CD1-CD1 4.11Å; L40-L43 WeakPolarHBondContact O-CB 3.37Å; L40-L43 WeakPolarHBondContact O-CG 3.23Å; L40-L43 PolarHBondContact O-N 3.03Å
41	R	96.7	Very high	94.3	Very high	122 Å²	122	44.5 Å²	44.5	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.4	-174.9	-54.4	-172	78.8	-162.2	7	113.4	M39 L43 Y69 I71 N72	M39-R41 PolarHBondContact O-N 3.24Å; R41-L43 VanDerWaalsContact C-N 3.32Å; R41-Y69 PolarHBondContact NE-O 2.89Å; R41-I71 VanDerWaalsContact NH2-CD1 3.33Å; R41-N72 WeakPolarHBondContact O-CB 3.41Å; R41-N72 PolarHBondContact O-ND2 2.98Å
42	E	97.1	Very high	93.7	Very high	40 Å²	40	51.1 Å²	51.1	19%	0.187	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.1	171.3	70	-93.2	-128.2	0	0	114.4	R7 I10 K21 L40	R7-E42 IonicContact CZ-OE1 3.23Å; R7-E42 VanDerWaalsContact CZ-OE1 3.26Å; R7-E42 IonicContact NE-OE1 2.79Å; R7-E42 PolarHBondContact NE-OE1 2.79Å; R7-E42 IonicContact NH2-OE1 2.89Å; R7-E42 PolarHBondContact NH2-OE1 3.08Å; I10-E42 HydrophobicContact CD1-CG 4.36Å; K21-E42 HydrophobicContact CD-CB 3.85Å; K21-E42 HydrophobicContact CD-CG 3.74Å; K21-E42 WeakPolarHBondContact CD-O 3.42Å; L40-E42 WeakPolarHBondContact CA-OE2 3.47Å; L40-E42 PolarHBondContact O-N 3.12Å
43	L	98.2	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.			trans	-62.2	138.4	-179.5	-73.3	176.4	0	0	0	111.7	I10 L23 L37 L40 R41 L70 N72 L73	I10-L43 HydrophobicContact CD1-CD2 3.8Å; I10-L43 HydrophobicContact CD1-CG 4.49Å; I10-L43 HydrophobicContact CG1-CD2 3.89Å; I10-L43 HydrophobicContact CG2-CD2 4.33Å; L23-L43 HydrophobicContact CB-CD1 4.15Å; L23-L43 HydrophobicContact CB-CD2 3.63Å; L23-L43 HydrophobicContact CD2-CD1 3.99Å; L37-L43 HydrophobicContact CD1-CD1 3.81Å; L40-L43 HydrophobicContact CB-CD1 3.71Å; L40-L43 HydrophobicContact CB-CG 3.79Å; L40-L43 HydrophobicContact CD1-CD1 4.11Å; L40-L43 WeakPolarHBondContact O-CB 3.37Å; L40-L43 WeakPolarHBondContact O-CG 3.23Å; L40-L43 PolarHBondContact O-N 3.03Å; R41-L43 VanDerWaalsContact C-N 3.32Å; L43-L70 HydrophobicContact CD1-CD1 4.41Å; L43-N72 CarbonylContact O-C 3.58Å; L43-N72 VanDerWaalsContact O-C 3.27Å; L43-L73 HydrophobicContact CB-CD1 4.23Å; L43-L73 PolarHBondContact O-N 3.04Å
44	Q	98.6	Very high	91	Very high	52 Å²	52	55.7 Å²	55.7	24%	0.243	28%	0.277	C	S	.	.	S	Bend	trans	-119.6	-26.3	177.9	-65.9	177.2	-63.7	0	0	111.7	L20 K21 R74 I75	L20-Q44 HydrophobicContact CB-CB 4.13Å; K21-Q44 PolarHBondContact O-N 2.6Å; Q44-R74 WeakPolarHBondContact O-CA 3.39Å; Q44-R74 PolarHBondContact O-N 3.12Å; Q44-I75 PolarHBondContact O-N 3.14Å
45	V	98.7	Very high	89	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.2	173.7	-176.2	0	0	0	0	108.6	Y17 L20 K21 R22 L23 I75	Y17-V45 HydrophobicContact CD2-CG1 3.85Å; Y17-V45 HydrophobicContact CD2-CG2 4.27Å; Y17-V45 HydrophobicContact CE2-CG1 4.03Å; Y17-V45 HydrophobicContact CG-CG1 4.4Å; Y17-V45 HydrophobicContact CG-CG2 4.01Å; L20-V45 HydrophobicContact CB-CG2 3.83Å; L20-V45 HydrophobicContact CD1-CG2 3.8Å; L20-V45 HydrophobicContact CG-CG2 4.47Å; K21-V45 PolarHBondContact O-N 3.04Å; R22-V45 CarbonylContact C-O 3.37Å; R22-V45 VanDerWaalsContact CA-O 3.31Å; R22-V45 WeakPolarHBondContact CA-O 3.28Å; R22-V45 HydrophobicContact CB-CB 3.87Å; R22-V45 HydrophobicContact CB-CG1 4.34Å; R22-V45 HydrophobicContact CG-CB 3.88Å; R22-V45 HydrophobicContact CG-CG1 3.8Å; L23-V45 PolarHBondContact N-O 3.1Å; V45-I75 WeakPolarHBondContact CA-O 3.4Å; V45-I75 HydrophobicContact CB-CB 4.34Å; V45-I75 HydrophobicContact CG1-CB 4.03Å; V45-I75 HydrophobicContact CG1-CG2 4.12Å; V45-I75 HydrophobicContact CG2-CB 4.04Å; V45-I75 HydrophobicContact CG2-CD1 4.04Å; V45-I75 HydrophobicContact CG2-CG1 4.24Å
46	L	98.2	Very high	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.2	174.5	176.9	59.9	0	0	0	109.1	L23 L37 M48 I67 L70 L73 I75 L76 I77	L23-L46 HydrophobicContact CB-CD1 4.44Å; L23-L46 WeakPolarHBondContact O-CA 3.34Å; L37-L46 HydrophobicContact CD1-CD1 3.87Å; L37-L46 HydrophobicContact CD1-CD2 4.35Å; L37-L46 HydrophobicContact CD2-CD1 4.48Å; L37-L46 HydrophobicContact CD2-CD2 4.15Å; L46-M48 HydrophobicContact CD1-CG 4.01Å; L46-M48 HydrophobicContact CD2-CG 4.11Å; L46-M48 HydrophobicContact CD2-SD 3.82Å; L46-M48 HydrophobicContact CG-CG 3.81Å; L46-M48 HydrophobicContact CG-SD 4.2Å; L46-I67 HydrophobicContact CD2-CD1 3.8Å; L46-L70 HydrophobicContact CD2-CD1 3.67Å; L46-L73 HydrophobicContact CB-CD1 3.66Å; L46-L73 HydrophobicContact CB-CD2 4.21Å; L46-I75 PolarHBondContact N-O 3.13Å; L46-L76 HydrophobicContact CB-CD1 4.18Å; L46-L76 HydrophobicContact CD2-CD1 4.13Å; L46-L76 HydrophobicContact CG-CD1 4.19Å; L46-L76 WeakPolarHBondContact O-CA 3.26Å; L46-I77 PolarHBondContact O-N 3.37Å
47	D	96.9	Very high	86.5	Confident	11 Å²	11	61 Å²	61	6%	0.059	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.8	173.6	-178.9	6.2	0	0	0	109.6	R22 L23 K24 L25 S49 I77	R22-D47 IonicContact NH2-OD2 3.28Å; L23-D47 PolarHBondContact O-N 3.18Å; K24-D47 CarbonylContact C-O 3.28Å; K24-D47 VanDerWaalsContact CA-O 3.31Å; K24-D47 WeakPolarHBondContact CA-O 3.28Å; K24-D47 HydrophobicContact CB-CB 4.14Å; K24-D47 HydrophobicContact CG-CB 4Å; K24-D47 IonicContact NZ-OD1 3.7Å; K24-D47 IonicContact NZ-OD2 3.5Å; K24-D47 PolarHBondContact NZ-OD2 2.7Å; L25-D47 PolarHBondContact N-O 3Å; D47-S49 WeakPolarHBondContact OD1-CB 3.32Å; D47-S49 PolarHBondContact OD1-N 2.87Å; D47-S49 PolarHBondContact OD1-OG 2.86Å; D47-I77 HydrophobicContact CB-CB 4.21Å; D47-I77 HydrophobicContact CB-CD1 4.27Å
48	M	96	Very high	86	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.321	C	S	.	.			trans	-117.4	30.6	175.5	-48.8	174.8	74.1	0	0	110.9	L25 L30 V33 L37 L46 L60 L63 I77 L78 N81	L25-M48 HydrophobicContact CD1-CE 3.65Å; L25-M48 HydrophobicContact CD1-CG 4.15Å; L25-M48 HydrophobicContact CG-CG 4.41Å; L30-M48 HydrophobicContact CD2-CB 3.74Å; L30-M48 VanDerWaalsContact CD2-O 3.27Å; L30-M48 WeakPolarHBondContact CD2-O 3.33Å; V33-M48 HydrophobicContact CB-CE 4.43Å; V33-M48 HydrophobicContact CG1-CE 3.9Å; V33-M48 HydrophobicContact CG2-CE 3.58Å; L37-M48 HydrophobicContact CD2-CE 4.3Å; L46-M48 HydrophobicContact CD1-CG 4.01Å; L46-M48 HydrophobicContact CD2-CG 4.11Å; L46-M48 HydrophobicContact CD2-SD 3.82Å; L46-M48 HydrophobicContact CG-CG 3.81Å; L46-M48 HydrophobicContact CG-SD 4.2Å; M48-L60 HydrophobicContact CB-CD1 3.71Å; M48-L60 HydrophobicContact CE-CD1 3.84Å; M48-L60 HydrophobicContact CE-CD2 3.93Å; M48-L60 HydrophobicContact SD-CD1 4.21Å; M48-L63 HydrophobicContact CE-CD1 4.42Å; M48-L63 HydrophobicContact SD-CD1 3.85Å; M48-I77 PolarHBondContact N-O 3.05Å; M48-L78 HydrophobicContact CB-CD2 4.01Å; M48-L78 HydrophobicContact CG-CD2 4.31Å; M48-L78 HydrophobicContact SD-CD2 4.02Å; M48-N81 PolarHBondContact O-ND2 3.07Å
49	S	93.9	Very high	85.7	Confident	11 Å²	11	67.6 Å²	67.6	8%	0.077	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-87.8	134.8	176.3	-42	0	0	0	0	109.9	D47 I77 D79	D47-S49 WeakPolarHBondContact OD1-CB 3.32Å; D47-S49 PolarHBondContact OD1-N 2.87Å; D47-S49 PolarHBondContact OD1-OG 2.86Å; S49-I77 VanDerWaalsContact OG-CG2 3.24Å; S49-I77 WeakPolarHBondContact OG-CG2 3.46Å; S49-D79 WeakPolarHBondContact CA-O 3.18Å; S49-D79 VanDerWaalsContact CB-O 3.25Å; S49-D79 WeakPolarHBondContact CB-O 3.14Å; S49-D79 PolarHBondContact OG-N 3.04Å; S49-D79 VanDerWaalsContact OG-N 3.15Å
50	P	90.8	Very high	85.6	Confident	24 Å²	24	60.9 Å²	60.9	16%	0.156	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58	151.6	177	-21.9	31.3	0	0	0	113	L30 Y58 K59 D79 T80	L30-P50 HydrophobicContact CD1-CB 4.13Å; L30-P50 HydrophobicContact CD1-CG 4.04Å; P50-Y58 WeakPolarHBondContact CB-O 3.15Å; P50-Y58 WeakPolarHBondContact CG-O 3.11Å; P50-K59 HydrophobicContact CG-CB 4.47Å; P50-K59 HydrophobicContact CG-CG 3.87Å; P50-D79 VanDerWaalsContact CD-O 3.32Å; P50-D79 WeakPolarHBondContact CD-O 3.45Å; P50-T80 WeakPolarHBondContact CG-O 3.37Å
51	E	82.9	Confident	85.4	Confident	69 Å²	69	66 Å²	66	32%	0.322	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-71.7	149.4	170.2	-62.3	-168.7	164.9	0	0	110.9	Q26 Q53	Q26-E51 HydrophobicContact CG-CG 4.43Å; Q26-E51 VanDerWaalsContact CG-OE1 3.3Å; Q26-E51 WeakPolarHBondContact CG-OE1 3.38Å; Q26-E51 PolarHBondContact NE2-OE1 2.96Å; Q26-E51 PolarHBondContact OE1-OE1 3.08Å; E51-Q53 HydrophobicContact CB-CG 4.17Å; E51-Q53 PolarHBondContact O-N 2.87Å
52	R	72.4	Confident	85.4	Confident	258 Å²	258	66.9 Å²	66.9	97%	0.974	34%	0.338	S	S	*	.	S	Bend	trans	-72.9	36.3	176.9	-67	-178.6	168.5	169.7	-3.1	113
53	Q	66.9	Low	85.4	Confident	100 Å²	100	65.2 Å²	65.2	47%	0.467	33%	0.33	S	S	.	.			trans	-92.7	125.1	-179.2	-70	-117.9	-1.5	0	0	110.4	E51 S55 L56	E51-Q53 HydrophobicContact CB-CG 4.17Å; E51-Q53 PolarHBondContact O-N 2.87Å; Q53-S55 PolarHBondContact O-N 3.03Å; Q53-S55 VanDerWaalsContact O-N 3.09Å; Q53-L56 HydrophobicContact CB-CD1 4.44Å; Q53-L56 PolarHBondContact O-N 3.12Å
54	P	57.3	Low	85.3	Confident	137 Å²	137	66.6 Å²	66.6	89%	0.89	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	-176.3	-21.6	30.2	0	0	0	115.4
55	S	50.7	Low	85.3	Confident	93 Å²	93	66.9 Å²	66.9	65%	0.65	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	5	-170.8	51.1	0	0	0	0	114.6	Q53	Q53-S55 PolarHBondContact O-N 3.03Å; Q53-S55 VanDerWaalsContact O-N 3.09Å
56	L	59.7	Low	85.3	Confident	75 Å²	75	69.7 Å²	69.7	39%	0.393	36%	0.362	S	S	.	.			trans	-126.8	108.3	179.6	-62.5	168.9	0	0	0	109.5	Q53 Y58	Q53-L56 HydrophobicContact CB-CD1 4.44Å; Q53-L56 PolarHBondContact O-N 3.12Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 HydrophobicContact CB-CD2 4.08Å; L56-Y58 HydrophobicContact CB-CE2 4.38Å; L56-Y58 HydrophobicContact CD2-CD2 4.25Å; L56-Y58 HydrophobicContact CD2-CE2 3.69Å; L56-Y58 PolarHBondContact O-N 3.27Å
57	T	75	Confident	85.3	Confident	127 Å²	127	69.7 Å²	69.7	78%	0.779	36%	0.362	S	S	*	.			trans	-91.1	15.5	-175.1	53.3	0	0	0	0	113.3	K59	T57-K59 PolarHBondContact O-N 3.22Å
58	Y	86.7	Confident	85.4	Confident	71 Å²	71	69.7 Å²	69.7	28%	0.278	36%	0.364	S	S	.	.			trans	-71.8	116.5	-173.7	-56.6	-64.3	0	0	0	110.5	G27 K28 E31 P50 L56	G27-Y58 VanDerWaalsContact C-CG 3.48Å; G27-Y58 VanDerWaalsContact CA-CD2 3.48Å; G27-Y58 WeakPolarHBondContact O-CB 3.33Å; K28-Y58 HydrophobicContact CB-CE1 4.08Å; K28-Y58 HydrophobicContact CB-CE2 4.14Å; K28-Y58 VanDerWaalsContact N-CD2 3.31Å; E31-Y58 HydrophobicContact CB-CD1 3.81Å; E31-Y58 VanDerWaalsContact OE2-CD1 3.29Å; E31-Y58 WeakPolarHBondContact OE2-CD1 3.5Å; E31-Y58 WeakPolarHBondContact OE2-CE1 3.29Å; P50-Y58 WeakPolarHBondContact CB-O 3.15Å; P50-Y58 WeakPolarHBondContact CG-O 3.11Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 HydrophobicContact CB-CD2 4.08Å; L56-Y58 HydrophobicContact CB-CE2 4.38Å; L56-Y58 HydrophobicContact CD2-CD2 4.25Å; L56-Y58 HydrophobicContact CD2-CE2 3.69Å; L56-Y58 PolarHBondContact O-N 3.27Å
59	K	90.5	Very high	85.5	Confident	76 Å²	76	75.8 Å²	75.8	33%	0.33	39%	0.388	S	S	.	.			trans	-137.8	151.5	178.4	-61.1	-171.8	-169.7	164.8	0	109.6	P50 T57 N81 E82	P50-K59 HydrophobicContact CG-CB 4.47Å; P50-K59 HydrophobicContact CG-CG 3.87Å; T57-K59 PolarHBondContact O-N 3.22Å; K59-N81 WeakPolarHBondContact CA-OD1 3.24Å; K59-E82 HydrophobicContact CD-CG 3.74Å; K59-E82 WeakPolarHBondContact CD-OE1 3.37Å; K59-E82 IonicContact NZ-OE1 2.76Å; K59-E82 PolarHBondContact NZ-OE1 2.99Å
60	L	92.9	Very high	85.7	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.026	38%	0.384	C	S	.	.			trans	-73.2	124.8	169.2	-65.1	167.1	0	0	0	109.9	L30 V33 M48 L78 N81 E82 L83	L30-L60 HydrophobicContact CD2-CG 4.46Å; L30-L60 WeakPolarHBondContact O-CD2 3.34Å; V33-L60 HydrophobicContact CG2-CD2 3.51Å; M48-L60 HydrophobicContact CB-CD1 3.71Å; M48-L60 HydrophobicContact CE-CD1 3.84Å; M48-L60 HydrophobicContact CE-CD2 3.93Å; M48-L60 HydrophobicContact SD-CD1 4.21Å; L60-L78 HydrophobicContact CD1-CD2 4.22Å; L60-N81 HydrophobicContact CB-CB 4.08Å; L60-N81 PolarHBondContact N-OD1 3.24Å; L60-E82 CarbonylContact O-C 3.57Å; L60-E82 WeakPolarHBondContact O-CA 3.45Å; L60-E82 PolarHBondContact O-N 2.78Å; L60-L83 HydrophobicContact CB-CD2 3.82Å
61	L	93.8	Very high	86.1	Confident	115 Å²	115	77.2 Å²	77.2	60%	0.602	39%	0.393	S	S	*	.	S	Bend	trans	-81	-31.8	165.1	-63	177.5	0	0	0	111.1	E82	L61-E82 HydrophobicContact CD2-CB 4.05Å
62	E	95.9	Very high	86.8	Confident	140 Å²	140	77.5 Å²	77.5	65%	0.654	40%	0.396	S	S	*	.	S	Bend	trans	-144.6	153.8	176.5	63.2	-179.4	-161.5	0	0	110.7
63	L	97.1	Very high	88.1	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	35%	0.35	C	S	.	.			trans	-91.2	118.9	168.6	178.4	66.2	0	0	0	107.7	M48 I67 L76 L78 L83 L86 P87	M48-L63 HydrophobicContact CE-CD1 4.42Å; M48-L63 HydrophobicContact SD-CD1 3.85Å; L63-I67 HydrophobicContact CD1-CB 4.4Å; L63-I67 HydrophobicContact CD1-CD1 4.29Å; L63-I67 HydrophobicContact CD1-CG1 4.33Å; L63-I67 HydrophobicContact CD2-CB 4.37Å; L63-I67 HydrophobicContact CD2-CG1 4.19Å; L63-I67 HydrophobicContact CD2-CG2 4.07Å; L63-I67 HydrophobicContact CG-CB 4.26Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 HydrophobicContact CG-CG2 4.19Å; L63-L76 HydrophobicContact CD2-CD2 4.31Å; L63-L78 HydrophobicContact CD1-CD2 3.97Å; L63-L78 HydrophobicContact CD2-CD1 3.84Å; L63-L83 HydrophobicContact CB-CD2 4.3Å; L63-L86 HydrophobicContact CD2-CD2 4.28Å; L63-P87 HydrophobicContact CB-CG 4.3Å; L63-P87 HydrophobicContact CD2-CG 4.17Å; L63-P87 HydrophobicContact CG-CG 4.18Å; L63-P87 WeakPolarHBondContact O-CD 3.31Å; L63-P87 WeakPolarHBondContact O-CG 3.4Å
64	P	97.2	Very high	89.6	Confident	29 Å²	29	64 Å²	64	19%	0.188	34%	0.341	C	S	.	.			trans	-58.9	140.6	-178.7	-26.4	35.6	0	0	0	112.3	V33 F38 D66 I67	V33-P64 HydrophobicContact CB-CG 4.26Å; V33-P64 HydrophobicContact CG2-CG 4.3Å; F38-P64 HydrophobicContact CE2-CB 4.08Å; F38-P64 HydrophobicContact CE2-CG 4.39Å; F38-P64 HydrophobicContact CZ-CB 3.67Å; F38-P64 HydrophobicContact CZ-CG 3.87Å; P64-D66 PolarHBondContact O-N 2.89Å; P64-D66 VanDerWaalsContact O-N 3.14Å; P64-I67 WeakPolarHBondContact O-CB 3.4Å; P64-I67 VanDerWaalsContact O-CG2 3.28Å; P64-I67 WeakPolarHBondContact O-CG2 3.4Å; P64-I67 PolarHBondContact O-N 2.97Å
65	S	98.1	Very high	91.6	Very high	58 Å²	58	58.3 Å²	58.3	41%	0.406	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.9	179.2	53.6	0	0	0	0	113.2	I67 G68 E89	S65-I67 PolarHBondContact O-N 2.93Å; S65-G68 PolarHBondContact O-N 3.03Å; S65-G68 VanDerWaalsContact O-N 3.09Å; S65-E89 WeakPolarHBondContact O-CB 3.15Å; S65-E89 WeakPolarHBondContact O-CG 3.34Å
66	D	98.3	Very high	93.8	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60	-12.5	175.9	-65	-29.6	0	0	0	113.3	F38 P64 G68 Y69	F38-D66 HydrophobicContact CB-CB 3.91Å; F38-D66 HydrophobicContact CD1-CB 3.83Å; F38-D66 WeakPolarHBondContact CD1-O 3.35Å; F38-D66 HydrophobicContact CD2-CB 3.44Å; F38-D66 VanDerWaalsContact CD2-CB 3.44Å; F38-D66 HydrophobicContact CE1-CB 4.19Å; F38-D66 HydrophobicContact CE2-CB 3.85Å; F38-D66 HydrophobicContact CG-CB 3.43Å; F38-D66 VanDerWaalsContact CG-CB 3.43Å; F38-D66 HydrophobicContact CZ-CB 4.2Å; P64-D66 PolarHBondContact O-N 2.89Å; P64-D66 VanDerWaalsContact O-N 3.14Å; D66-G68 PolarHBondContact O-N 3.16Å; D66-Y69 HydrophobicContact CB-CD2 3.87Å; D66-Y69 HydrophobicContact CB-CE2 3.96Å; D66-Y69 WeakPolarHBondContact O-CB 3.39Å; D66-Y69 WeakPolarHBondContact O-CD2 3.39Å; D66-Y69 PolarHBondContact O-N 2.85Å; D66-Y69 VanDerWaalsContact OD1-CE2 3.25Å; D66-Y69 WeakPolarHBondContact OD1-CE2 3.41Å
67	I	98.4	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-50.2	-32.5	168.9	-166	67.8	0	0	0	111.8	F38 L46 L63 P64 S65 Y69 L70 L76 P87 L93	F38-I67 HydrophobicContact CE1-CB 4.35Å; F38-I67 HydrophobicContact CE1-CD1 4.36Å; L46-I67 HydrophobicContact CD2-CD1 3.8Å; L63-I67 HydrophobicContact CD1-CB 4.4Å; L63-I67 HydrophobicContact CD1-CD1 4.29Å; L63-I67 HydrophobicContact CD1-CG1 4.33Å; L63-I67 HydrophobicContact CD2-CB 4.37Å; L63-I67 HydrophobicContact CD2-CG1 4.19Å; L63-I67 HydrophobicContact CD2-CG2 4.07Å; L63-I67 HydrophobicContact CG-CB 4.26Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 HydrophobicContact CG-CG2 4.19Å; P64-I67 WeakPolarHBondContact O-CB 3.4Å; P64-I67 VanDerWaalsContact O-CG2 3.28Å; P64-I67 WeakPolarHBondContact O-CG2 3.4Å; P64-I67 PolarHBondContact O-N 2.97Å; S65-I67 PolarHBondContact O-N 2.93Å; I67-Y69 PolarHBondContact O-N 3.37Å; I67-L70 HydrophobicContact CD1-CD1 3.89Å; I67-L70 PolarHBondContact O-N 2.83Å; I67-L70 VanDerWaalsContact O-N 3.08Å; I67-L76 HydrophobicContact CD1-CD1 4.37Å; I67-L76 HydrophobicContact CD1-CD2 4.49Å; I67-L76 HydrophobicContact CG1-CD2 4.33Å; I67-P87 HydrophobicContact CG2-CG 3.9Å; I67-L93 HydrophobicContact CG1-CD1 4.15Å; I67-L93 WeakPolarHBondContact O-CD2 3.47Å
68	G	98.4	Very high	96.8	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.1	-14.7	177.4	0	0	0	0	0	114.9	S65 D66	S65-G68 PolarHBondContact O-N 3.03Å; S65-G68 VanDerWaalsContact O-N 3.09Å; D66-G68 PolarHBondContact O-N 3.16Å
69	Y	98.5	Very high	97.3	Very high	129 Å²	129	43.3 Å²	43.3	51%	0.506	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-78.8	-19.7	176.2	-61.9	-43.5	0	0	0	114.1	F38 R41 D66 I67 I71	F38-Y69 HydrophobicContact CB-CD2 4.2Å; R41-Y69 PolarHBondContact NE-O 2.89Å; D66-Y69 HydrophobicContact CB-CD2 3.87Å; D66-Y69 HydrophobicContact CB-CE2 3.96Å; D66-Y69 WeakPolarHBondContact O-CB 3.39Å; D66-Y69 WeakPolarHBondContact O-CD2 3.39Å; D66-Y69 PolarHBondContact O-N 2.85Å; D66-Y69 VanDerWaalsContact OD1-CE2 3.25Å; D66-Y69 WeakPolarHBondContact OD1-CE2 3.41Å; I67-Y69 PolarHBondContact O-N 3.37Å; Y69-I71 PolarHBondContact O-N 2.78Å
70	L	98.6	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.			trans	-80.3	56.6	179.8	-57.9	-171.9	0	0	0	112.1	L43 L46 I67 N72 L73 L93	L43-L70 HydrophobicContact CD1-CD1 4.41Å; L46-L70 HydrophobicContact CD2-CD1 3.67Å; I67-L70 HydrophobicContact CD1-CD1 3.89Å; I67-L70 PolarHBondContact O-N 2.83Å; I67-L70 VanDerWaalsContact O-N 3.08Å; L70-N72 PolarHBondContact O-N 2.78Å; L70-L73 HydrophobicContact CB-CB 4.32Å; L70-L73 WeakPolarHBondContact O-CB 3.47Å; L70-L73 PolarHBondContact O-N 3.36Å; L70-L93 HydrophobicContact CB-CD2 4.37Å; L70-L93 VanDerWaalsContact O-CD2 3.3Å; L70-L93 WeakPolarHBondContact O-CD2 3.31Å
71	I	98.1	Very high	97.6	Very high	65 Å²	65	43 Å²	43	33%	0.333	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	-170	57.9	162.6	0	0	0	115.7	R41 Y69	R41-I71 VanDerWaalsContact NH2-CD1 3.33Å; Y69-I71 PolarHBondContact O-N 2.78Å
72	N	98.5	Very high	97.6	Very high	74 Å²	74	40.5 Å²	40.5	40%	0.396	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.2	177.7	-67.6	-51.2	0	0	0	113.2	R41 L43 L70 R74	R41-N72 WeakPolarHBondContact O-CB 3.41Å; R41-N72 PolarHBondContact O-ND2 2.98Å; L43-N72 CarbonylContact O-C 3.58Å; L43-N72 VanDerWaalsContact O-C 3.27Å; L70-N72 PolarHBondContact O-N 2.78Å; N72-R74 PolarHBondContact O-N 3.1Å
73	L	98.7	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.			trans	-65.7	125.8	-178.8	-154	75.5	0	0	0	110.6	L43 L46 L70 L76 L93 Q95 L96	L43-L73 HydrophobicContact CB-CD1 4.23Å; L43-L73 PolarHBondContact O-N 3.04Å; L46-L73 HydrophobicContact CB-CD1 3.66Å; L46-L73 HydrophobicContact CB-CD2 4.21Å; L70-L73 HydrophobicContact CB-CB 4.32Å; L70-L73 WeakPolarHBondContact O-CB 3.47Å; L70-L73 PolarHBondContact O-N 3.36Å; L73-L76 HydrophobicContact CD2-CB 3.76Å; L73-L76 HydrophobicContact CD2-CD1 3.97Å; L73-L76 HydrophobicContact CD2-CD2 4.3Å; L73-L76 HydrophobicContact CD2-CG 4.21Å; L73-L93 HydrophobicContact CB-CD2 4.35Å; L73-L93 HydrophobicContact CD2-CD1 4.17Å; L73-Q95 CarbonylContact O-C 3.33Å; L73-Q95 VanDerWaalsContact O-C 3.28Å; L73-L96 HydrophobicContact CB-CD1 4.33Å; L73-L96 HydrophobicContact CD2-CD1 4.07Å; L73-L96 HydrophobicContact CG-CD1 4.15Å; L73-L96 WeakPolarHBondContact O-CA 3.33Å; L73-L96 PolarHBondContact O-N 3.28Å
74	R	98.7	Very high	97.8	Very high	76 Å²	76	38.4 Å²	38.4	29%	0.287	20%	0.195	S	C	.	.			trans	-104.1	-29.8	175.8	-65.8	178.8	67	-155.3	-5.1	111.7	L20 Q44 N72 E97 K98	L20-R74 VanDerWaalsContact CD2-NH1 3.31Å; Q44-R74 WeakPolarHBondContact O-CA 3.39Å; Q44-R74 PolarHBondContact O-N 3.12Å; N72-R74 PolarHBondContact O-N 3.1Å; R74-E97 IonicContact CZ-OE1 2.68Å; R74-E97 VanDerWaalsContact CZ-OE1 3.22Å; R74-E97 IonicContact CZ-OE2 3.26Å; R74-E97 IonicContact NE-OE1 3.7Å; R74-E97 PolarHBondContact NE-OE1 3.37Å; R74-E97 IonicContact NE-OE2 3.22Å; R74-E97 IonicContact NH2-OE1 2.89Å; R74-E97 PolarHBondContact NH2-OE1 3.41Å; R74-E97 IonicContact NH2-OE2 2.83Å; R74-E97 PolarHBondContact NH2-OE2 3.04Å; R74-E97 PolarHBondContact O-N 3.27Å; R74-K98 PolarHBondContact O-N 2.88Å
75	I	98.8	Very high	97.8	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.082	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.1	-176.1	-52.6	-178.1	0	0	0	109.5	Y17 L20 Q44 V45 L46 I77 K98	Y17-I75 HydrophobicContact CD1-CD1 3.17Å; Y17-I75 HydrophobicContact CE1-CD1 3.17Å; Y17-I75 HydrophobicContact CE1-CG2 4.36Å; Y17-I75 HydrophobicContact CG-CD1 3.99Å; L20-I75 HydrophobicContact CD1-CD1 4.37Å; Q44-I75 PolarHBondContact O-N 3.14Å; V45-I75 WeakPolarHBondContact CA-O 3.4Å; V45-I75 HydrophobicContact CB-CB 4.34Å; V45-I75 HydrophobicContact CG1-CB 4.03Å; V45-I75 HydrophobicContact CG1-CG2 4.12Å; V45-I75 HydrophobicContact CG2-CB 4.04Å; V45-I75 HydrophobicContact CG2-CD1 4.04Å; V45-I75 HydrophobicContact CG2-CG1 4.24Å; L46-I75 PolarHBondContact N-O 3.13Å; I75-I77 HydrophobicContact CG2-CD1 4.34Å; I75-I77 HydrophobicContact CG2-CG1 4Å; I75-K98 WeakPolarHBondContact CA-O 3.12Å; I75-K98 HydrophobicContact CG1-CB 4.24Å; I75-K98 HydrophobicContact CG2-CB 4.16Å; I75-K98 HydrophobicContact CG2-CD 4.09Å; I75-K98 HydrophobicContact CG2-CG 4.23Å
76	L	98.8	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.5	176.3	-178.6	54.6	0	0	0	109.3	L46 L63 I67 L73 L78 I90 L93 L96 K98 L99 S100	L46-L76 HydrophobicContact CB-CD1 4.18Å; L46-L76 HydrophobicContact CD2-CD1 4.13Å; L46-L76 HydrophobicContact CG-CD1 4.19Å; L46-L76 WeakPolarHBondContact O-CA 3.26Å; L63-L76 HydrophobicContact CD2-CD2 4.31Å; I67-L76 HydrophobicContact CD1-CD1 4.37Å; I67-L76 HydrophobicContact CD1-CD2 4.49Å; I67-L76 HydrophobicContact CG1-CD2 4.33Å; L73-L76 HydrophobicContact CD2-CB 3.76Å; L73-L76 HydrophobicContact CD2-CD1 3.97Å; L73-L76 HydrophobicContact CD2-CD2 4.3Å; L73-L76 HydrophobicContact CD2-CG 4.21Å; L76-L78 HydrophobicContact CD1-CD2 3.86Å; L76-L78 HydrophobicContact CD1-CG 4.13Å; L76-L78 HydrophobicContact CD2-CD1 4.04Å; L76-L78 HydrophobicContact CD2-CG 4.43Å; L76-L78 HydrophobicContact CG-CD1 4.07Å; L76-L78 HydrophobicContact CG-CD2 4.21Å; L76-L78 HydrophobicContact CG-CG 3.93Å; L76-I90 HydrophobicContact CD2-CD1 4.49Å; L76-L93 HydrophobicContact CD2-CD1 4.09Å; L76-L96 HydrophobicContact CB-CD1 3.87Å; L76-L96 HydrophobicContact CB-CD2 4.36Å; L76-K98 PolarHBondContact N-O 3.31Å; L76-L99 HydrophobicContact CB-CD1 4.09Å; L76-L99 HydrophobicContact CD2-CD1 4.04Å; L76-L99 HydrophobicContact CG-CD1 4.06Å; L76-L99 WeakPolarHBondContact O-CA 3.29Å; L76-S100 PolarHBondContact O-N 3.05Å
77	I	98.3	Very high	97.9	Very high	20 Å²	20	36 Å²	36	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.8	-178.8	-43.6	179	0	0	0	108.3	Y17 L46 D47 M48 S49 I75 D79	Y17-I77 HydrophobicContact CE2-CD1 4.35Å; L46-I77 PolarHBondContact O-N 3.37Å; D47-I77 HydrophobicContact CB-CB 4.21Å; D47-I77 HydrophobicContact CB-CD1 4.27Å; M48-I77 PolarHBondContact N-O 3.05Å; S49-I77 VanDerWaalsContact OG-CG2 3.24Å; S49-I77 WeakPolarHBondContact OG-CG2 3.46Å; I75-I77 HydrophobicContact CG2-CD1 4.34Å; I75-I77 HydrophobicContact CG2-CG1 4Å; I77-D79 WeakPolarHBondContact CG2-OD2 3.43Å
78	L	97.8	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-129.2	21.1	-174.3	-58.5	173.2	0	0	0	111.1	M48 L60 L63 L76 N81 L83 L86 L99 S100 A101 N104	M48-L78 HydrophobicContact CB-CD2 4.01Å; M48-L78 HydrophobicContact CG-CD2 4.31Å; M48-L78 HydrophobicContact SD-CD2 4.02Å; L60-L78 HydrophobicContact CD1-CD2 4.22Å; L63-L78 HydrophobicContact CD1-CD2 3.97Å; L63-L78 HydrophobicContact CD2-CD1 3.84Å; L76-L78 HydrophobicContact CD1-CD2 3.86Å; L76-L78 HydrophobicContact CD1-CG 4.13Å; L76-L78 HydrophobicContact CD2-CD1 4.04Å; L76-L78 HydrophobicContact CD2-CG 4.43Å; L76-L78 HydrophobicContact CG-CD1 4.07Å; L76-L78 HydrophobicContact CG-CD2 4.21Å; L76-L78 HydrophobicContact CG-CG 3.93Å; L78-N81 PolarHBondContact O-ND2 3.46Å; L78-L83 HydrophobicContact CB-CD1 3.91Å; L78-L83 HydrophobicContact CD1-CD1 3.97Å; L78-L83 HydrophobicContact CG-CD1 4.4Å; L78-L86 HydrophobicContact CD1-CD2 3.9Å; L78-L99 HydrophobicContact CD1-CD1 4.19Å; L78-S100 WeakPolarHBondContact CA-O 3.5Å; L78-S100 WeakPolarHBondContact CB-O 3.48Å; L78-S100 PolarHBondContact N-O 3.42Å; L78-A101 HydrophobicContact CB-CB 4.29Å; L78-N104 PolarHBondContact O-ND2 3.02Å
79	D	97	Very high	97.9	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.171	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	149.9	-170.9	-63.2	-40.4	0	0	0	111.3	S49 P50 I77 N81 S100 A101 S102	S49-D79 WeakPolarHBondContact CA-O 3.18Å; S49-D79 VanDerWaalsContact CB-O 3.25Å; S49-D79 WeakPolarHBondContact CB-O 3.14Å; S49-D79 PolarHBondContact OG-N 3.04Å; S49-D79 VanDerWaalsContact OG-N 3.15Å; P50-D79 VanDerWaalsContact CD-O 3.32Å; P50-D79 WeakPolarHBondContact CD-O 3.45Å; I77-D79 WeakPolarHBondContact CG2-OD2 3.43Å; D79-N81 VanDerWaalsContact C-N 3.32Å; D79-N81 PolarHBondContact O-N 3.02Å; D79-S100 VanDerWaalsContact OD1-C 3.3Å; D79-S100 WeakPolarHBondContact OD1-CB 3.43Å; D79-S100 PolarHBondContact OD1-OG 2.87Å; D79-S100 WeakPolarHBondContact OD2-CB 3.33Å; D79-S100 PolarHBondContact OD2-OG 3.29Å; D79-A101 PolarHBondContact OD1-N 3.01Å; D79-S102 CarbonylContact C-O 3.2Å; D79-S102 WeakPolarHBondContact CA-O 3.49Å; D79-S102 PolarHBondContact OD1-N 2.91Å
80	T	94.7	Very high	97.9	Very high	68 Å²	68	36.1 Å²	36.1	42%	0.417	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	32.6	172.5	-39.9	0	0	0	0	113.9	P50 S102 N103	P50-T80 WeakPolarHBondContact CG-O 3.37Å; T80-S102 PolarHBondContact N-O 2.81Å; T80-N103 CarbonylContact C-O 3.53Å; T80-N103 VanDerWaalsContact CA-O 3.24Å; T80-N103 WeakPolarHBondContact CA-O 3.14Å; T80-N103 PolarHBondContact N-O 3.15Å
81	N	94.9	Very high	97.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.194	C	C	.	.	S	Bend	trans	-101.9	-167.9	173.1	-76.6	-63.9	0	0	0	111.3	M48 K59 L60 L78 D79 L83 N103 N104	M48-N81 PolarHBondContact O-ND2 3.07Å; K59-N81 WeakPolarHBondContact CA-OD1 3.24Å; L60-N81 HydrophobicContact CB-CB 4.08Å; L60-N81 PolarHBondContact N-OD1 3.24Å; L78-N81 PolarHBondContact O-ND2 3.46Å; D79-N81 VanDerWaalsContact C-N 3.32Å; D79-N81 PolarHBondContact O-N 3.02Å; N81-L83 HydrophobicContact CB-CD1 4.44Å; N81-L83 HydrophobicContact CB-CG 4Å; N81-N103 PolarHBondContact N-O 2.9Å; N81-N104 VanDerWaalsContact CA-OD1 3.32Å; N81-N104 WeakPolarHBondContact CA-OD1 3.48Å; N81-N104 WeakPolarHBondContact CB-OD1 3.2Å; N81-N104 PolarHBondContact N-OD1 3.28Å; N81-N104 PolarHBondContact O-OD1 2.86Å
82	E	95.5	Very high	97.9	Very high	64 Å²	64	35.8 Å²	35.8	30%	0.299	20%	0.197	S	C	.	.			trans	-118.2	32.7	177	-71.5	177.3	-164.2	0	0	111.1	K59 L60 L61 H84 N104	K59-E82 HydrophobicContact CD-CG 3.74Å; K59-E82 WeakPolarHBondContact CD-OE1 3.37Å; K59-E82 IonicContact NZ-OE1 2.76Å; K59-E82 PolarHBondContact NZ-OE1 2.99Å; L60-E82 CarbonylContact O-C 3.57Å; L60-E82 WeakPolarHBondContact O-CA 3.45Å; L60-E82 PolarHBondContact O-N 2.78Å; L61-E82 HydrophobicContact CD2-CB 4.05Å; E82-H84 PolarHBondContact O-CE1 2.89Å; E82-H84 PolarHBondContact O-N 3.28Å; E82-H84 PolarHBondContact O-ND1 2.9Å; E82-N104 PolarHBondContact N-OD1 2.76Å
83	L	97.8	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.			trans	-67.1	122.2	-177.5	-59.6	175.5	0	0	0	110.7	L60 L63 L78 N81 L86 N104 Q105 L106	L60-L83 HydrophobicContact CB-CD2 3.82Å; L63-L83 HydrophobicContact CB-CD2 4.3Å; L78-L83 HydrophobicContact CB-CD1 3.91Å; L78-L83 HydrophobicContact CD1-CD1 3.97Å; L78-L83 HydrophobicContact CG-CD1 4.4Å; N81-L83 HydrophobicContact CB-CD1 4.44Å; N81-L83 HydrophobicContact CB-CG 4Å; L83-L86 HydrophobicContact CD1-CD2 4.03Å; L83-N104 HydrophobicContact CB-CB 4.26Å; L83-N104 VanDerWaalsContact CB-OD1 3.27Å; L83-N104 WeakPolarHBondContact CB-OD1 3.27Å; L83-N104 WeakPolarHBondContact CG-OD1 3.3Å; L83-N104 PolarHBondContact N-OD1 2.8Å; L83-Q105 CarbonylContact O-C 3.51Å; L83-Q105 VanDerWaalsContact O-CA 3.32Å; L83-Q105 WeakPolarHBondContact O-CA 3.08Å; L83-Q105 PolarHBondContact O-N 2.92Å; L83-L106 HydrophobicContact CB-CD2 4.12Å; L83-L106 PolarHBondContact O-N 3.02Å
84	H	98.2	Very high	97.9	Very high	102 Å²	102	35.4 Å²	35.4	47%	0.472	20%	0.197	S	C	.	.	S	Bend	trans	-89.7	-23.6	174.2	-67.4	68.9	0	0	0	112.5	E82 Q105	E82-H84 PolarHBondContact O-CE1 2.89Å; E82-H84 PolarHBondContact O-N 3.28Å; E82-H84 PolarHBondContact O-ND1 2.9Å; H84-Q105 PolarHBondContact CE1-OE1 2.73Å; H84-Q105 PolarHBondContact NE2-OE1 3.28Å; H84-Q105 VanDerWaalsContact NE2-OE1 3.16Å
85	S	98.3	Very high	97.9	Very high	67 Å²	67	35.9 Å²	35.9	47%	0.469	20%	0.202	S	C	.	.			trans	-154.4	167.3	177.6	67.5	0	0	0	0	110.6
86	L	98.7	Very high	97.9	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	20%	0.199	C	C	.	.			trans	-108.5	140.7	166.6	-58.2	176.8	0	0	0	108.7	L63 L78 L83 I90 L99 L106 L109 P110	L63-L86 HydrophobicContact CD2-CD2 4.28Å; L78-L86 HydrophobicContact CD1-CD2 3.9Å; L83-L86 HydrophobicContact CD1-CD2 4.03Å; L86-I90 HydrophobicContact CB-CD1 4.24Å; L86-I90 HydrophobicContact CD1-CD1 3.7Å; L86-I90 HydrophobicContact CG-CD1 4.43Å; L86-L99 HydrophobicContact CD1-CD2 4.04Å; L86-L106 HydrophobicContact CD2-CD2 4.41Å; L86-L106 HydrophobicContact CG-CD1 4.45Å; L86-L106 HydrophobicContact CG-CD2 4.18Å; L86-L109 HydrophobicContact CD1-CD2 3.88Å; L86-P110 HydrophobicContact CB-CG 4.23Å; L86-P110 WeakPolarHBondContact O-CG 3.42Å
87	P	98.5	Very high	97.9	Very high	20 Å²	20	37.5 Å²	37.5	13%	0.13	21%	0.209	C	C	.	.			trans	-64.2	152.2	178.3	29.7	-38	0	0	0	111.2	L63 I67 E89 I90	L63-P87 HydrophobicContact CB-CG 4.3Å; L63-P87 HydrophobicContact CD2-CG 4.17Å; L63-P87 HydrophobicContact CG-CG 4.18Å; L63-P87 WeakPolarHBondContact O-CD 3.31Å; L63-P87 WeakPolarHBondContact O-CG 3.4Å; I67-P87 HydrophobicContact CG2-CG 3.9Å; P87-E89 WeakPolarHBondContact CB-OE2 3.25Å; P87-E89 PolarHBondContact O-N 3.29Å; P87-I90 WeakPolarHBondContact O-CB 3.48Å; P87-I90 VanDerWaalsContact O-CG2 3.23Å; P87-I90 WeakPolarHBondContact O-CG2 3.48Å; P87-I90 PolarHBondContact O-N 2.96Å; P87-I90 VanDerWaalsContact O-N 3.12Å
88	S	98.6	Very high	97.9	Very high	68 Å²	68	39.1 Å²	39.1	48%	0.476	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.2	-25	-179.4	75.2	0	0	0	0	112.9	I90 G91 S112	S88-I90 PolarHBondContact O-N 2.83Å; S88-G91 PolarHBondContact O-N 3.34Å; S88-G91 VanDerWaalsContact O-N 3.1Å; S88-S112 WeakPolarHBondContact CA-OG 3.41Å; S88-S112 WeakPolarHBondContact O-CB 3.28Å; S88-S112 PolarHBondContact O-OG 2.8Å
89	E	98.6	Very high	98	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.4	-16.6	178.3	-70	75.1	-172.4	0	0	112.4	S65 P87 G91 S92	S65-E89 WeakPolarHBondContact O-CB 3.15Å; S65-E89 WeakPolarHBondContact O-CG 3.34Å; P87-E89 WeakPolarHBondContact CB-OE2 3.25Å; P87-E89 PolarHBondContact O-N 3.29Å; E89-G91 PolarHBondContact O-N 2.96Å; E89-G91 VanDerWaalsContact O-N 3.13Å; E89-S92 VanDerWaalsContact O-CB 3.23Å; E89-S92 WeakPolarHBondContact O-CB 3.27Å; E89-S92 PolarHBondContact O-N 2.98Å; E89-S92 PolarHBondContact O-OG 3.01Å
90	I	98.7	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55	-31	170.1	-157.5	169.3	0	0	0	111.4	L76 L86 P87 S88 S92 L93 L99 P110 L116	L76-I90 HydrophobicContact CD2-CD1 4.49Å; L86-I90 HydrophobicContact CB-CD1 4.24Å; L86-I90 HydrophobicContact CD1-CD1 3.7Å; L86-I90 HydrophobicContact CG-CD1 4.43Å; P87-I90 WeakPolarHBondContact O-CB 3.48Å; P87-I90 VanDerWaalsContact O-CG2 3.23Å; P87-I90 WeakPolarHBondContact O-CG2 3.48Å; P87-I90 PolarHBondContact O-N 2.96Å; P87-I90 VanDerWaalsContact O-N 3.12Å; S88-I90 PolarHBondContact O-N 2.83Å; I90-S92 PolarHBondContact O-N 3.03Å; I90-S92 VanDerWaalsContact O-N 3.13Å; I90-L93 HydrophobicContact CG1-CD1 3.99Å; I90-L93 WeakPolarHBondContact O-CB 3.31Å; I90-L93 WeakPolarHBondContact O-CG 3.42Å; I90-L93 PolarHBondContact O-N 2.79Å; I90-L93 VanDerWaalsContact O-N 3.08Å; I90-L99 HydrophobicContact CD1-CD1 4.36Å; I90-L99 HydrophobicContact CD1-CD2 3.86Å; I90-P110 HydrophobicContact CG2-CG 3.72Å; I90-L116 WeakPolarHBondContact O-CD2 3.19Å
91	G	98.6	Very high	98.3	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.4	-8.7	176.3	0	0	0	0	0	115	S88 E89 S112	S88-G91 PolarHBondContact O-N 3.34Å; S88-G91 VanDerWaalsContact O-N 3.1Å; E89-G91 PolarHBondContact O-N 2.96Å; E89-G91 VanDerWaalsContact O-N 3.13Å; G91-S112 WeakPolarHBondContact CA-O 3.27Å
92	S	98.6	Very high	98.4	Very high	56 Å²	56	35 Å²	35	39%	0.392	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-80.6	-16.6	172.7	-59.6	0	0	0	0	112.7	E89 I90 T94	E89-S92 VanDerWaalsContact O-CB 3.23Å; E89-S92 WeakPolarHBondContact O-CB 3.27Å; E89-S92 PolarHBondContact O-N 2.98Å; E89-S92 PolarHBondContact O-OG 3.01Å; I90-S92 PolarHBondContact O-N 3.03Å; I90-S92 VanDerWaalsContact O-N 3.13Å; S92-T94 PolarHBondContact O-N 3.12Å
93	L	98.8	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.			trans	-78	55	-179.5	-54.5	-178	0	0	0	111.6	I67 L70 L73 L76 I90 Q95 L96 L116	I67-L93 HydrophobicContact CG1-CD1 4.15Å; I67-L93 WeakPolarHBondContact O-CD2 3.47Å; L70-L93 HydrophobicContact CB-CD2 4.37Å; L70-L93 VanDerWaalsContact O-CD2 3.3Å; L70-L93 WeakPolarHBondContact O-CD2 3.31Å; L73-L93 HydrophobicContact CB-CD2 4.35Å; L73-L93 HydrophobicContact CD2-CD1 4.17Å; L76-L93 HydrophobicContact CD2-CD1 4.09Å; I90-L93 HydrophobicContact CG1-CD1 3.99Å; I90-L93 WeakPolarHBondContact O-CB 3.31Å; I90-L93 WeakPolarHBondContact O-CG 3.42Å; I90-L93 PolarHBondContact O-N 2.79Å; I90-L93 VanDerWaalsContact O-N 3.08Å; L93-Q95 PolarHBondContact O-N 2.77Å; L93-L96 HydrophobicContact CB-CB 4.04Å; L93-L96 HydrophobicContact CB-CD2 4.43Å; L93-L96 HydrophobicContact CD1-CD1 4.49Å; L93-L96 HydrophobicContact CD1-CD2 4.19Å; L93-L96 WeakPolarHBondContact O-CB 3.46Å; L93-L96 PolarHBondContact O-N 2.75Å; L93-L116 HydrophobicContact CB-CD2 4.31Å; L93-L116 VanDerWaalsContact O-CD2 3.29Å; L93-L116 WeakPolarHBondContact O-CD2 3.38Å
94	T	98.5	Very high	98.6	Very high	66 Å²	66	35.8 Å²	35.8	41%	0.405	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.2	-169.4	58.5	0	0	0	0	115.1	S92 Q118	S92-T94 PolarHBondContact O-N 3.12Å; T94-Q118 WeakPolarHBondContact O-CG 3.08Å
95	Q	98.6	Very high	98.6	Very high	86 Å²	86	34.1 Å²	34.1	40%	0.402	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.7	173.5	-56.6	-55.5	-47.1	0	0	113.7	L73 L93 E97	L73-Q95 CarbonylContact O-C 3.33Å; L73-Q95 VanDerWaalsContact O-C 3.28Å; L93-Q95 PolarHBondContact O-N 2.77Å; Q95-E97 PolarHBondContact O-N 2.76Å
96	L	98.8	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.			trans	-68.6	120.1	-175.2	-158.4	73	0	0	0	110.8	L73 L76 L93 L99 L116 Q118 M119	L73-L96 HydrophobicContact CB-CD1 4.33Å; L73-L96 HydrophobicContact CD2-CD1 4.07Å; L73-L96 HydrophobicContact CG-CD1 4.15Å; L73-L96 WeakPolarHBondContact O-CA 3.33Å; L73-L96 PolarHBondContact O-N 3.28Å; L76-L96 HydrophobicContact CB-CD1 3.87Å; L76-L96 HydrophobicContact CB-CD2 4.36Å; L93-L96 HydrophobicContact CB-CB 4.04Å; L93-L96 HydrophobicContact CB-CD2 4.43Å; L93-L96 HydrophobicContact CD1-CD1 4.49Å; L93-L96 HydrophobicContact CD1-CD2 4.19Å; L93-L96 WeakPolarHBondContact O-CB 3.46Å; L93-L96 PolarHBondContact O-N 2.75Å; L96-L99 HydrophobicContact CD2-CB 4.09Å; L96-L116 HydrophobicContact CD2-CD1 4.09Å; L96-Q118 CarbonylContact O-C 3.27Å; L96-Q118 VanDerWaalsContact O-C 3.29Å; L96-M119 HydrophobicContact CB-CE 4.47Å; L96-M119 HydrophobicContact CD2-CE 3.84Å; L96-M119 HydrophobicContact CG-CE 4.22Å; L96-M119 WeakPolarHBondContact O-CA 3.4Å; L96-M119 PolarHBondContact O-N 3.23Å; L96-M119 VanDerWaalsContact O-N 3.12Å
97	E	98.8	Very high	98.6	Very high	49 Å²	49	37.1 Å²	37.1	23%	0.229	20%	0.196	C	C	.	.			trans	-103.1	-30.1	179.4	-70.1	170.2	-148.8	0	0	111.8	R74 Q95 Q118 K120 S121	R74-E97 IonicContact CZ-OE1 2.68Å; R74-E97 VanDerWaalsContact CZ-OE1 3.22Å; R74-E97 IonicContact CZ-OE2 3.26Å; R74-E97 IonicContact NE-OE1 3.7Å; R74-E97 PolarHBondContact NE-OE1 3.37Å; R74-E97 IonicContact NE-OE2 3.22Å; R74-E97 IonicContact NH2-OE1 2.89Å; R74-E97 PolarHBondContact NH2-OE1 3.41Å; R74-E97 IonicContact NH2-OE2 2.83Å; R74-E97 PolarHBondContact NH2-OE2 3.04Å; R74-E97 PolarHBondContact O-N 3.27Å; Q95-E97 PolarHBondContact O-N 2.76Å; E97-Q118 WeakPolarHBondContact CA-O 3.39Å; E97-Q118 HydrophobicContact CG-CB 4.13Å; E97-K120 PolarHBondContact O-N 2.87Å; E97-S121 PolarHBondContact O-N 3.42Å
98	K	98.8	Very high	98.6	Very high	54 Å²	54	39.5 Å²	39.5	24%	0.235	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.5	178.5	177.3	175.5	174.7	-173.9	0	111.3	Y17 R74 I75 L76 S121	Y17-K98 PolarHBondContact OH-NZ 3.45Å; R74-K98 PolarHBondContact O-N 2.88Å; I75-K98 WeakPolarHBondContact CA-O 3.12Å; I75-K98 HydrophobicContact CG1-CB 4.24Å; I75-K98 HydrophobicContact CG2-CB 4.16Å; I75-K98 HydrophobicContact CG2-CD 4.09Å; I75-K98 HydrophobicContact CG2-CG 4.23Å; L76-K98 PolarHBondContact N-O 3.31Å; K98-S121 VanDerWaalsContact CA-O 3.31Å; K98-S121 WeakPolarHBondContact CA-O 3.3Å
99	L	98.9	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120	168.7	173.5	60.4	0	0	0	109.1	L76 L78 L86 I90 L96 I113 M119 S121 L122 H123	L76-L99 HydrophobicContact CB-CD1 4.09Å; L76-L99 HydrophobicContact CD2-CD1 4.04Å; L76-L99 HydrophobicContact CG-CD1 4.06Å; L76-L99 WeakPolarHBondContact O-CA 3.29Å; L78-L99 HydrophobicContact CD1-CD1 4.19Å; L86-L99 HydrophobicContact CD1-CD2 4.04Å; I90-L99 HydrophobicContact CD1-CD1 4.36Å; I90-L99 HydrophobicContact CD1-CD2 3.86Å; L96-L99 HydrophobicContact CD2-CB 4.09Å; L99-I113 HydrophobicContact CD2-CD1 4.3Å; L99-M119 HydrophobicContact CB-CE 3.78Å; L99-M119 HydrophobicContact CB-SD 4.01Å; L99-S121 PolarHBondContact N-O 3.42Å; L99-L122 HydrophobicContact CB-CD1 3.8Å; L99-L122 HydrophobicContact CD2-CD1 3.8Å; L99-L122 HydrophobicContact CG-CD1 3.89Å; L99-L122 WeakPolarHBondContact O-CA 3.29Å; L99-H123 PolarHBondContact O-N 2.7Å
100	S	98.8	Very high	98.6	Very high	8 Å²	8	34.4 Å²	34.4	6%	0.056	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.6	172.5	-152	0	0	0	0	109	L76 L78 D79	L76-S100 PolarHBondContact O-N 3.05Å; L78-S100 WeakPolarHBondContact CA-O 3.5Å; L78-S100 WeakPolarHBondContact CB-O 3.48Å; L78-S100 PolarHBondContact N-O 3.42Å; D79-S100 VanDerWaalsContact OD1-C 3.3Å; D79-S100 WeakPolarHBondContact OD1-CB 3.43Å; D79-S100 PolarHBondContact OD1-OG 2.87Å; D79-S100 WeakPolarHBondContact OD2-CB 3.33Å; D79-S100 PolarHBondContact OD2-OG 3.29Å
101	A	98.6	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.			trans	-141.1	35	176.7	0	0	0	0	0	110.8	L78 D79 N104 L106 H123 L124 N127	L78-A101 HydrophobicContact CB-CB 4.29Å; D79-A101 PolarHBondContact OD1-N 3.01Å; A101-N104 PolarHBondContact O-ND2 3.01Å; A101-L106 HydrophobicContact CB-CD1 3.91Å; A101-H123 CarbonylContact C-O 3.4Å; A101-H123 PolarHBondContact N-O 2.82Å; A101-L124 HydrophobicContact CB-CD2 4.25Å; A101-N127 PolarHBondContact O-ND2 3.33Å
102	S	98.7	Very high	98.6	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.084	21%	0.214	C	C	.	.			trans	-70.2	155.6	176.8	-64.3	0	0	0	0	111.3	D79 T80 N104 H123 A125	D79-S102 CarbonylContact C-O 3.2Å; D79-S102 WeakPolarHBondContact CA-O 3.49Å; D79-S102 PolarHBondContact OD1-N 2.91Å; T80-S102 PolarHBondContact N-O 2.81Å; S102-N104 PolarHBondContact O-ND2 2.94Å; S102-H123 PolarHBondContact N-O 3.29Å; S102-A125 CarbonylContact C-O 3.07Å; S102-A125 WeakPolarHBondContact CA-O 3.27Å; S102-A125 WeakPolarHBondContact CB-O 3.38Å; S102-A125 PolarHBondContact OG-N 2.9Å; S102-A125 VanDerWaalsContact OG-N 3.12Å
103	N	97.8	Very high	98.6	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	20%	0.195	S	C	.	.	S	Bend	trans	58.7	53.1	-177.5	-51	-83.2	0	0	0	112	T80 N81 A125 N126	T80-N103 CarbonylContact C-O 3.53Å; T80-N103 VanDerWaalsContact CA-O 3.24Å; T80-N103 WeakPolarHBondContact CA-O 3.14Å; T80-N103 PolarHBondContact N-O 3.15Å; N81-N103 PolarHBondContact N-O 2.9Å; N103-A125 PolarHBondContact N-O 2.98Å; N103-N126 VanDerWaalsContact CA-O 3.22Å; N103-N126 WeakPolarHBondContact CA-O 3.38Å; N103-N126 PolarHBondContact N-O 2.9Å; N103-N126 PolarHBondContact OD1-ND2 3.46Å
104	N	98.4	Very high	98.6	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.059	21%	0.211	C	C	.	.	S	Bend	trans	-127.7	-164.2	175.4	-84.7	-75.1	0	0	0	109.4	L78 N81 E82 L83 A101 S102 L106 N126 N127	L78-N104 PolarHBondContact O-ND2 3.02Å; N81-N104 VanDerWaalsContact CA-OD1 3.32Å; N81-N104 WeakPolarHBondContact CA-OD1 3.48Å; N81-N104 WeakPolarHBondContact CB-OD1 3.2Å; N81-N104 PolarHBondContact N-OD1 3.28Å; N81-N104 PolarHBondContact O-OD1 2.86Å; E82-N104 PolarHBondContact N-OD1 2.76Å; L83-N104 HydrophobicContact CB-CB 4.26Å; L83-N104 VanDerWaalsContact CB-OD1 3.27Å; L83-N104 WeakPolarHBondContact CB-OD1 3.27Å; L83-N104 WeakPolarHBondContact CG-OD1 3.3Å; L83-N104 PolarHBondContact N-OD1 2.8Å; A101-N104 PolarHBondContact O-ND2 3.01Å; S102-N104 PolarHBondContact O-ND2 2.94Å; N104-L106 HydrophobicContact CB-CG 4.14Å; N104-N126 PolarHBondContact N-O 3.04Å; N104-N127 WeakPolarHBondContact CA-OD1 3.47Å; N104-N127 WeakPolarHBondContact CB-OD1 3.35Å; N104-N127 PolarHBondContact O-OD1 3.09Å
105	Q	98.5	Very high	98.6	Very high	66 Å²	66	43.6 Å²	43.6	31%	0.308	22%	0.217	S	C	.	.			trans	-119.5	27.7	178.7	-55.6	-175.5	34.5	0	0	111.4	L83 H84 K107 N127 L128	L83-Q105 CarbonylContact O-C 3.51Å; L83-Q105 VanDerWaalsContact O-CA 3.32Å; L83-Q105 WeakPolarHBondContact O-CA 3.08Å; L83-Q105 PolarHBondContact O-N 2.92Å; H84-Q105 PolarHBondContact CE1-OE1 2.73Å; H84-Q105 PolarHBondContact NE2-OE1 3.28Å; H84-Q105 VanDerWaalsContact NE2-OE1 3.16Å; Q105-K107 PolarHBondContact O-N 2.99Å; Q105-N127 PolarHBondContact N-OD1 2.77Å; Q105-L128 HydrophobicContact CB-CD1 4.05Å
106	L	98.8	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-67.8	130.9	-176.6	-59.6	175.3	0	0	0	110.4	L83 L86 A101 N104 L109 L124 N127 L128 F129	L83-L106 HydrophobicContact CB-CD2 4.12Å; L83-L106 PolarHBondContact O-N 3.02Å; L86-L106 HydrophobicContact CD2-CD2 4.41Å; L86-L106 HydrophobicContact CG-CD1 4.45Å; L86-L106 HydrophobicContact CG-CD2 4.18Å; A101-L106 HydrophobicContact CB-CD1 3.91Å; N104-L106 HydrophobicContact CB-CG 4.14Å; L106-L109 HydrophobicContact CD1-CD2 4.42Å; L106-L124 HydrophobicContact CD1-CD2 4.04Å; L106-N127 HydrophobicContact CB-CB 4.36Å; L106-N127 VanDerWaalsContact CB-OD1 3.26Å; L106-N127 WeakPolarHBondContact CB-OD1 3.47Å; L106-N127 WeakPolarHBondContact CG-OD1 3.45Å; L106-N127 PolarHBondContact N-OD1 2.95Å; L106-L128 CarbonylContact O-C 3.51Å; L106-L128 WeakPolarHBondContact O-CA 3.3Å; L106-L128 PolarHBondContact O-N 2.91Å; L106-F129 HydrophobicContact CB-CE2 3.86Å; L106-F129 HydrophobicContact CB-CZ 3.87Å; L106-F129 PolarHBondContact O-N 2.89Å
107	K	98.6	Very high	98.6	Very high	137 Å²	137	44.1 Å²	44.1	60%	0.596	22%	0.218	S	C	*	.	S	Bend	trans	-106.9	-20.6	173.6	-64.9	175.9	-176.6	176.1	0	113	Q105 L128 F129	Q105-K107 PolarHBondContact O-N 2.99Å; K107-L128 HydrophobicContact CG-CB 3.77Å; K107-F129 WeakPolarHBondContact O-CD1 3.48Å
108	S	98.5	Very high	98.6	Very high	70 Å²	70	44.7 Å²	44.7	49%	0.49	22%	0.221	S	C	.	.			trans	-156.6	163	-176.7	59.8	0	0	0	0	109.8
109	L	98.7	Very high	98.6	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	21%	0.21	C	C	.	.			trans	-109.2	147.6	168.8	-61.1	172.7	0	0	0	109.5	L86 L106 I113 L122 L124 F129 P133 I136	L86-L109 HydrophobicContact CD1-CD2 3.88Å; L106-L109 HydrophobicContact CD1-CD2 4.42Å; L109-I113 HydrophobicContact CB-CD1 4.24Å; L109-I113 HydrophobicContact CB-CG2 4.29Å; L109-I113 HydrophobicContact CD1-CD1 3.62Å; L109-I113 HydrophobicContact CD2-CD1 4.38Å; L109-I113 HydrophobicContact CG-CD1 4.29Å; L109-L122 HydrophobicContact CD1-CD2 4.45Å; L109-L124 HydrophobicContact CD1-CD1 3.76Å; L109-L124 HydrophobicContact CD2-CD2 4.18Å; L109-F129 HydrophobicContact CD2-CZ 4Å; L109-F129 HydrophobicContact CG-CE1 4.07Å; L109-F129 HydrophobicContact CG-CZ 3.94Å; L109-P133 HydrophobicContact CD1-CB 3.87Å; L109-P133 HydrophobicContact CD1-CG 4.26Å; L109-P133 HydrophobicContact CG-CB 4.16Å; L109-I136 HydrophobicContact CD1-CG2 3.51Å
110	P	98.4	Very high	98.6	Very high	25 Å²	25	45.8 Å²	45.8	16%	0.162	23%	0.226	C	C	.	.			trans	-63.7	142.6	174.5	29	-35.9	0	0	0	110.2	L86 I90 S112 I113	L86-P110 HydrophobicContact CB-CG 4.23Å; L86-P110 WeakPolarHBondContact O-CG 3.42Å; I90-P110 HydrophobicContact CG2-CG 3.72Å; P110-S112 PolarHBondContact O-N 3.22Å; P110-S112 VanDerWaalsContact O-N 3.08Å; P110-I113 WeakPolarHBondContact O-CB 3.44Å; P110-I113 VanDerWaalsContact O-CG2 3.24Å; P110-I113 WeakPolarHBondContact O-CG2 3.24Å; P110-I113 PolarHBondContact O-N 2.92Å
111	T	98.5	Very high	98.6	Very high	94 Å²	94	46.5 Å²	46.5	58%	0.577	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-55.8	-31.3	179.9	-50.7	0	0	0	0	112.6	I113 E114	T111-I113 PolarHBondContact O-N 3.21Å; T111-E114 WeakPolarHBondContact O-CB 3.44Å; T111-E114 WeakPolarHBondContact O-CG 3.32Å; T111-E114 PolarHBondContact O-N 2.96Å
112	S	98.7	Very high	98.6	Very high	10 Å²	10	46.5 Å²	46.5	7%	0.07	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.1	-17.1	178	60.3	0	0	0	0	114.5	S88 G91 P110 E114 R115	S88-S112 WeakPolarHBondContact CA-OG 3.41Å; S88-S112 WeakPolarHBondContact O-CB 3.28Å; S88-S112 PolarHBondContact O-OG 2.8Å; G91-S112 WeakPolarHBondContact CA-O 3.27Å; P110-S112 PolarHBondContact O-N 3.22Å; P110-S112 VanDerWaalsContact O-N 3.08Å; S112-E114 PolarHBondContact O-N 3Å; S112-E114 VanDerWaalsContact O-N 3.14Å; S112-R115 WeakPolarHBondContact O-CB 3.33Å; S112-R115 WeakPolarHBondContact O-CG 3.44Å; S112-R115 PolarHBondContact O-N 3.22Å
113	I	98.7	Very high	98.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.5	172.1	-155.3	175.5	0	0	0	111.7	L99 L109 P110 T111 R115 L116 P135 I136 L139	L99-I113 HydrophobicContact CD2-CD1 4.3Å; L109-I113 HydrophobicContact CB-CD1 4.24Å; L109-I113 HydrophobicContact CB-CG2 4.29Å; L109-I113 HydrophobicContact CD1-CD1 3.62Å; L109-I113 HydrophobicContact CD2-CD1 4.38Å; L109-I113 HydrophobicContact CG-CD1 4.29Å; P110-I113 WeakPolarHBondContact O-CB 3.44Å; P110-I113 VanDerWaalsContact O-CG2 3.24Å; P110-I113 WeakPolarHBondContact O-CG2 3.24Å; P110-I113 PolarHBondContact O-N 2.92Å; T111-I113 PolarHBondContact O-N 3.21Å; I113-R115 PolarHBondContact O-N 3.16Å; I113-L116 HydrophobicContact CG1-CD1 3.7Å; I113-L116 HydrophobicContact CG1-CG 4.3Å; I113-L116 WeakPolarHBondContact O-CB 3.22Å; I113-L116 WeakPolarHBondContact O-CG 3.39Å; I113-L116 PolarHBondContact O-N 2.87Å; I113-P135 HydrophobicContact CG2-CB 3.5Å; I113-I136 HydrophobicContact CD1-CG2 4.42Å; I113-I136 HydrophobicContact CG2-CG2 4.48Å; I113-L139 WeakPolarHBondContact O-CD2 3.43Å
114	E	98.5	Very high	98.7	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.5	-19.3	176.2	77.4	-176.9	175.2	0	0	113.3	T111 S112 L116 K117 K138	T111-E114 WeakPolarHBondContact O-CB 3.44Å; T111-E114 WeakPolarHBondContact O-CG 3.32Å; T111-E114 PolarHBondContact O-N 2.96Å; S112-E114 PolarHBondContact O-N 3Å; S112-E114 VanDerWaalsContact O-N 3.14Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-K117 WeakPolarHBondContact O-CD 3.4Å; E114-K117 WeakPolarHBondContact O-CE 3.17Å; E114-K117 PolarHBondContact O-NZ 2.79Å; E114-K138 HydrophobicContact CB-CB 3.83Å; E114-K138 HydrophobicContact CB-CG 4.09Å
115	R	98.7	Very high	98.7	Very high	143 Å²	143	44.3 Å²	44.3	54%	0.54	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-78.1	-12.6	179.5	-62.4	177.4	-178.2	141.3	2.7	113.4	S112 I113 K117	S112-R115 WeakPolarHBondContact O-CB 3.33Å; S112-R115 WeakPolarHBondContact O-CG 3.44Å; S112-R115 PolarHBondContact O-N 3.22Å; I113-R115 PolarHBondContact O-N 3.16Å; R115-K117 PolarHBondContact O-N 3.39Å
116	L	98.7	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.			trans	-79.7	63.3	-174.5	-54.4	-172	0	0	0	112.1	I90 L93 L96 I113 E114 Q118 M119 L139	I90-L116 WeakPolarHBondContact O-CD2 3.19Å; L93-L116 HydrophobicContact CB-CD2 4.31Å; L93-L116 VanDerWaalsContact O-CD2 3.29Å; L93-L116 WeakPolarHBondContact O-CD2 3.38Å; L96-L116 HydrophobicContact CD2-CD1 4.09Å; I113-L116 HydrophobicContact CG1-CD1 3.7Å; I113-L116 HydrophobicContact CG1-CG 4.3Å; I113-L116 WeakPolarHBondContact O-CB 3.22Å; I113-L116 WeakPolarHBondContact O-CG 3.39Å; I113-L116 PolarHBondContact O-N 2.87Å; E114-L116 VanDerWaalsContact C-N 3.31Å; L116-Q118 PolarHBondContact O-N 3.46Å; L116-M119 HydrophobicContact CB-CB 4.34Å; L116-M119 HydrophobicContact CB-CE 4.07Å; L116-M119 HydrophobicContact CD1-CE 3.47Å; L116-M119 VanDerWaalsContact CD1-CE 3.47Å; L116-M119 HydrophobicContact CG-CE 4.42Å; L116-M119 VanDerWaalsContact O-CB 3.27Å; L116-M119 WeakPolarHBondContact O-CB 3.34Å; L116-M119 PolarHBondContact O-N 2.86Å; L116-L139 HydrophobicContact CB-CD2 4.19Å; L116-L139 WeakPolarHBondContact O-CD2 3.25Å
117	K	98.4	Very high	98.7	Very high	97 Å²	97	45.2 Å²	45.2	42%	0.422	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.4	-171.1	-58.3	-49	-169	-171.1	0	115.3	E114 R115 K138 K141	E114-K117 WeakPolarHBondContact O-CD 3.4Å; E114-K117 WeakPolarHBondContact O-CE 3.17Å; E114-K117 PolarHBondContact O-NZ 2.79Å; R115-K117 PolarHBondContact O-N 3.39Å; K117-K138 PolarHBondContact NZ-O 3.18Å; K117-K141 VanDerWaalsContact O-CD 3.29Å; K117-K141 WeakPolarHBondContact O-CD 3.44Å
118	Q	98.6	Very high	98.7	Very high	62 Å²	62	41.6 Å²	41.6	29%	0.29	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.5	172.2	-55.8	-55.5	-27.2	0	0	113.4	T94 L96 E97 L116 K120	T94-Q118 WeakPolarHBondContact O-CG 3.08Å; L96-Q118 CarbonylContact O-C 3.27Å; L96-Q118 VanDerWaalsContact O-C 3.29Å; E97-Q118 WeakPolarHBondContact CA-O 3.39Å; E97-Q118 HydrophobicContact CG-CB 4.13Å; L116-Q118 PolarHBondContact O-N 3.46Å; Q118-K120 PolarHBondContact O-N 3.24Å
119	M	98.8	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.			trans	-60	122.9	-177.1	-169.5	72.8	66.9	0	0	111.2	L96 L99 L116 L139 K141 L142	L96-M119 HydrophobicContact CB-CE 4.47Å; L96-M119 HydrophobicContact CD2-CE 3.84Å; L96-M119 HydrophobicContact CG-CE 4.22Å; L96-M119 WeakPolarHBondContact O-CA 3.4Å; L96-M119 PolarHBondContact O-N 3.23Å; L96-M119 VanDerWaalsContact O-N 3.12Å; L99-M119 HydrophobicContact CB-CE 3.78Å; L99-M119 HydrophobicContact CB-SD 4.01Å; L116-M119 HydrophobicContact CB-CB 4.34Å; L116-M119 HydrophobicContact CB-CE 4.07Å; L116-M119 HydrophobicContact CD1-CE 3.47Å; L116-M119 VanDerWaalsContact CD1-CE 3.47Å; L116-M119 HydrophobicContact CG-CE 4.42Å; L116-M119 VanDerWaalsContact O-CB 3.27Å; L116-M119 WeakPolarHBondContact O-CB 3.34Å; L116-M119 PolarHBondContact O-N 2.86Å; M119-L139 HydrophobicContact CB-CD1 4.1Å; M119-L139 HydrophobicContact CB-CD2 4.36Å; M119-L139 HydrophobicContact CG-CD1 4.02Å; M119-K141 CarbonylContact O-C 3.27Å; M119-L142 HydrophobicContact CG-CD1 3.75Å; M119-L142 PolarHBondContact O-N 3.44Å
120	K	98.8	Very high	98.7	Very high	76 Å²	76	40.6 Å²	40.6	33%	0.33	21%	0.21	S	C	.	.			trans	-112.7	-33	176.2	-71.9	166.9	163.5	-89.1	0	112.2	E97 Q118 E143 F144	E97-K120 PolarHBondContact O-N 2.87Å; Q118-K120 PolarHBondContact O-N 3.24Å; K120-E143 IonicContact NZ-OE1 3.89Å; K120-E143 PolarHBondContact NZ-OE1 2.89Å; K120-E143 IonicContact NZ-OE2 3.53Å; K120-E143 PolarHBondContact O-N 2.97Å; K120-F144 PolarHBondContact O-N 2.92Å
121	S	98.9	Very high	98.7	Very high	23 Å²	23	46 Å²	46	16%	0.161	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.9	-172.4	-162.7	0	0	0	0	111.7	E97 K98 L99 H123	E97-S121 PolarHBondContact O-N 3.42Å; K98-S121 VanDerWaalsContact CA-O 3.31Å; K98-S121 WeakPolarHBondContact CA-O 3.3Å; L99-S121 PolarHBondContact N-O 3.42Å; S121-H123 PolarHBondContact OG-NE2 3.48Å
122	L	98.9	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.6	-179.5	-174.4	59.7	0	0	0	110.5	L99 L109 L124 I136 L142 F144 L145 D146	L99-L122 HydrophobicContact CB-CD1 3.8Å; L99-L122 HydrophobicContact CD2-CD1 3.8Å; L99-L122 HydrophobicContact CG-CD1 3.89Å; L99-L122 WeakPolarHBondContact O-CA 3.29Å; L109-L122 HydrophobicContact CD1-CD2 4.45Å; L122-L124 HydrophobicContact CD1-CD1 4.27Å; L122-L124 HydrophobicContact CD1-CD2 4.35Å; L122-L124 HydrophobicContact CD1-CG 4.16Å; L122-L124 HydrophobicContact CD2-CD1 3.82Å; L122-L124 HydrophobicContact CG-CD1 3.84Å; L122-L124 HydrophobicContact CG-CG 3.98Å; L122-I136 HydrophobicContact CD2-CB 4.26Å; L122-I136 HydrophobicContact CD2-CD1 4.17Å; L122-I136 HydrophobicContact CD2-CG2 3.68Å; L122-L142 HydrophobicContact CB-CD1 3.84Å; L122-F144 PolarHBondContact N-O 3.46Å; L122-L145 HydrophobicContact CB-CD1 4.15Å; L122-L145 HydrophobicContact CD2-CD1 4.06Å; L122-L145 HydrophobicContact CG-CD1 4.2Å; L122-L145 WeakPolarHBondContact O-CA 3.46Å; L122-D146 PolarHBondContact O-N 2.82Å
123	H	98.9	Very high	98.7	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.153	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.7	179.6	-48.2	-106.3	0	0	0	109.8	L99 A101 S102 S121 F144	L99-H123 PolarHBondContact O-N 2.7Å; A101-H123 CarbonylContact C-O 3.4Å; A101-H123 PolarHBondContact N-O 2.82Å; S102-H123 PolarHBondContact N-O 3.29Å; S121-H123 PolarHBondContact OG-NE2 3.48Å; H123-F144 AromaticContact CE1-CD1 3.63Å; H123-F144 AromaticContact CE1-CE1 3.24Å; H123-F144 WeakPolarHBondContact CE1-CE1 3.35Å; H123-F144 AromaticContact CE1-CZ 3.88Å; H123-F144 AromaticContact ND1-CD1 3.96Å; H123-F144 AromaticContact ND1-CE1 3.25Å; H123-F144 VanDerWaalsContact ND1-CE1 3.25Å; H123-F144 WeakPolarHBondContact ND1-CE1 3.45Å; H123-F144 AromaticContact ND1-CZ 3.96Å
124	L	98.9	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.			trans	-133.2	21.9	-176.1	-63.6	171.4	0	0	0	111.4	A101 L106 L109 L122 N127 F129 P133 D146 L147 N150	A101-L124 HydrophobicContact CB-CD2 4.25Å; L106-L124 HydrophobicContact CD1-CD2 4.04Å; L109-L124 HydrophobicContact CD1-CD1 3.76Å; L109-L124 HydrophobicContact CD2-CD2 4.18Å; L122-L124 HydrophobicContact CD1-CD1 4.27Å; L122-L124 HydrophobicContact CD1-CD2 4.35Å; L122-L124 HydrophobicContact CD1-CG 4.16Å; L122-L124 HydrophobicContact CD2-CD1 3.82Å; L122-L124 HydrophobicContact CG-CD1 3.84Å; L122-L124 HydrophobicContact CG-CG 3.98Å; L124-N127 PolarHBondContact O-ND2 2.99Å; L124-F129 HydrophobicContact CB-CE2 4.02Å; L124-F129 HydrophobicContact CD1-CE2 4.2Å; L124-F129 HydrophobicContact CD1-CZ 4.16Å; L124-F129 HydrophobicContact CD2-CE2 4.24Å; L124-F129 HydrophobicContact CD2-CZ 4.37Å; L124-F129 HydrophobicContact CG-CE2 4.39Å; L124-P133 HydrophobicContact CD1-CG 4.47Å; L124-D146 CarbonylContact C-O 3.38Å; L124-D146 WeakPolarHBondContact CA-O 3.24Å; L124-D146 WeakPolarHBondContact CB-O 3.25Å; L124-D146 PolarHBondContact N-O 3.24Å; L124-L147 HydrophobicContact CB-CD2 3.89Å; L124-L147 HydrophobicContact CD1-CD2 4.06Å; L124-N150 PolarHBondContact O-ND2 3.37Å
125	A	98.9	Very high	98.6	Very high	14 Å²	14	45.8 Å²	45.8	12%	0.116	23%	0.226	C	C	.	.			trans	-64.1	152.5	-179.6	0	0	0	0	0	112	S102 N103 N127 D146 S148	S102-A125 CarbonylContact C-O 3.07Å; S102-A125 WeakPolarHBondContact CA-O 3.27Å; S102-A125 WeakPolarHBondContact CB-O 3.38Å; S102-A125 PolarHBondContact OG-N 2.9Å; S102-A125 VanDerWaalsContact OG-N 3.12Å; N103-A125 PolarHBondContact N-O 2.98Å; A125-N127 PolarHBondContact O-ND2 3.01Å; A125-D146 PolarHBondContact N-O 3.03Å; A125-S148 CarbonylContact C-O 3.55Å; A125-S148 WeakPolarHBondContact CA-O 3.42Å
126	N	98.8	Very high	98.6	Very high	82 Å²	82	39 Å²	39	44%	0.439	20%	0.2	S	C	.	.	S	Bend	trans	52.8	61.7	179.2	-167.9	31	0	0	0	112	N103 N104 S148 S149	N103-N126 VanDerWaalsContact CA-O 3.22Å; N103-N126 WeakPolarHBondContact CA-O 3.38Å; N103-N126 PolarHBondContact N-O 2.9Å; N103-N126 PolarHBondContact OD1-ND2 3.46Å; N104-N126 PolarHBondContact N-O 3.04Å; N126-S148 PolarHBondContact N-O 3.48Å; N126-S149 WeakPolarHBondContact CA-O 3.19Å; N126-S149 PolarHBondContact N-O 3.28Å
127	N	98.9	Very high	98.6	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-130	-163.1	175.2	-87.7	-73.9	0	0	0	108.6	A101 N104 Q105 L106 L124 A125 F129 S149 N150	A101-N127 PolarHBondContact O-ND2 3.33Å; N104-N127 WeakPolarHBondContact CA-OD1 3.47Å; N104-N127 WeakPolarHBondContact CB-OD1 3.35Å; N104-N127 PolarHBondContact O-OD1 3.09Å; Q105-N127 PolarHBondContact N-OD1 2.77Å; L106-N127 HydrophobicContact CB-CB 4.36Å; L106-N127 VanDerWaalsContact CB-OD1 3.26Å; L106-N127 WeakPolarHBondContact CB-OD1 3.47Å; L106-N127 WeakPolarHBondContact CG-OD1 3.45Å; L106-N127 PolarHBondContact N-OD1 2.95Å; L124-N127 PolarHBondContact O-ND2 2.99Å; A125-N127 PolarHBondContact O-ND2 3.01Å; N127-F129 HydrophobicContact CB-CD2 3.74Å; N127-F129 HydrophobicContact CB-CE2 3.85Å; N127-S149 PolarHBondContact N-O 2.93Å; N127-N150 WeakPolarHBondContact CA-OD1 3.35Å; N127-N150 WeakPolarHBondContact CB-OD1 3.26Å; N127-N150 PolarHBondContact N-OD1 2.82Å; N127-N150 PolarHBondContact O-OD1 2.99Å
128	L	98.7	Very high	98.6	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.314	21%	0.208	S	C	.	.			trans	-120.4	28.9	-175.2	-57.6	176.9	0	0	0	112.1	Q105 L106 K107 A130 N150	Q105-L128 HydrophobicContact CB-CD1 4.05Å; L106-L128 CarbonylContact O-C 3.51Å; L106-L128 WeakPolarHBondContact O-CA 3.3Å; L106-L128 PolarHBondContact O-N 2.91Å; K107-L128 HydrophobicContact CG-CB 3.77Å; L128-A130 PolarHBondContact O-N 3.38Å; L128-A130 VanDerWaalsContact O-N 3.11Å; L128-N150 PolarHBondContact N-OD1 3.38Å
129	F	98.8	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.			trans	-67.3	109.1	177.8	-70.3	-83.2	0	0	0	110.2	L106 K107 L109 L124 N127 P133 L147 N150 H151 L152	L106-F129 HydrophobicContact CB-CE2 3.86Å; L106-F129 HydrophobicContact CB-CZ 3.87Å; L106-F129 PolarHBondContact O-N 2.89Å; K107-F129 WeakPolarHBondContact O-CD1 3.48Å; L109-F129 HydrophobicContact CD2-CZ 4Å; L109-F129 HydrophobicContact CG-CE1 4.07Å; L109-F129 HydrophobicContact CG-CZ 3.94Å; L124-F129 HydrophobicContact CB-CE2 4.02Å; L124-F129 HydrophobicContact CD1-CE2 4.2Å; L124-F129 HydrophobicContact CD1-CZ 4.16Å; L124-F129 HydrophobicContact CD2-CE2 4.24Å; L124-F129 HydrophobicContact CD2-CZ 4.37Å; L124-F129 HydrophobicContact CG-CE2 4.39Å; N127-F129 HydrophobicContact CB-CD2 3.74Å; N127-F129 HydrophobicContact CB-CE2 3.85Å; F129-P133 HydrophobicContact CD1-CB 4.1Å; F129-P133 HydrophobicContact CD1-CG 4.29Å; F129-P133 HydrophobicContact CE1-CB 3.79Å; F129-P133 HydrophobicContact CE1-CG 4.17Å; F129-L147 HydrophobicContact CD2-CD2 4.15Å; F129-L147 HydrophobicContact CG-CD2 4.45Å; F129-N150 HydrophobicContact CB-CB 4.29Å; F129-N150 WeakPolarHBondContact CD2-OD1 3.32Å; F129-N150 PolarHBondContact N-OD1 3.02Å; F129-H151 CarbonylContact O-C 3.24Å; F129-H151 VanDerWaalsContact O-C 3.27Å; F129-H151 WeakPolarHBondContact O-CA 3.32Å; F129-H151 WeakPolarHBondContact O-CB 3.34Å; F129-H151 PolarHBondContact O-N 3.22Å; F129-L152 HydrophobicContact CB-CD2 4.02Å; F129-L152 PolarHBondContact O-N 3.36Å
130	A	98.3	Very high	98.4	Very high	61 Å²	61	41.3 Å²	41.3	50%	0.504	22%	0.217	S	C	.	.	S	Bend	trans	-84	-25.5	172.3	0	0	0	0	0	112.6	L128	L128-A130 PolarHBondContact O-N 3.38Å; L128-A130 VanDerWaalsContact O-N 3.11Å
131	E	98.3	Very high	98.4	Very high	138 Å²	138	41.8 Å²	41.8	65%	0.645	22%	0.219	S	C	*	.	S	Bend	trans	-125.9	154.4	173.7	-69.6	-175.3	-157.7	0	0	110.1	L152	E131-L152 WeakPolarHBondContact O-CD2 3.16Å
132	F	98.5	Very high	98.4	Very high	11 Å²	11	40.7 Å²	40.7	5%	0.048	21%	0.211	C	C	.	.			trans	-59.5	131.8	174.8	-174.4	-85.1	0	0	0	110.5	K134 I136 L137 L145 L147 L155 P156 I159	F132-K134 VanDerWaalsContact C-N 3.31Å; F132-K134 PolarHBondContact O-N 3.26Å; F132-I136 HydrophobicContact CE1-CD1 3.94Å; F132-I136 HydrophobicContact CE1-CG1 3.65Å; F132-I136 HydrophobicContact CE2-CD1 4.34Å; F132-I136 HydrophobicContact CZ-CD1 3.58Å; F132-I136 HydrophobicContact CZ-CG1 3.74Å; F132-L137 HydrophobicContact CD1-CD2 4.43Å; F132-L137 HydrophobicContact CE1-CD1 4.45Å; F132-L137 HydrophobicContact CE1-CD2 3.52Å; F132-L137 HydrophobicContact CE1-CG 3.83Å; F132-L137 HydrophobicContact CZ-CD2 3.98Å; F132-L145 HydrophobicContact CE2-CD2 4.04Å; F132-L145 HydrophobicContact CZ-CD2 4.04Å; F132-L147 HydrophobicContact CD2-CD1 3.92Å; F132-L147 HydrophobicContact CE2-CD1 3.68Å; F132-L155 HydrophobicContact CD2-CD2 3.9Å; F132-L155 HydrophobicContact CE2-CD2 4.41Å; F132-P156 HydrophobicContact CB-CG 4.21Å; F132-P156 HydrophobicContact CD1-CG 3.63Å; F132-P156 HydrophobicContact CE1-CG 4.16Å; F132-P156 VanDerWaalsContact CG-CD 3.45Å; F132-P156 HydrophobicContact CG-CG 3.88Å; F132-I159 HydrophobicContact CD2-CD1 4.47Å; F132-I159 HydrophobicContact CE1-CD1 4.28Å; F132-I159 HydrophobicContact CE2-CD1 3.44Å; F132-I159 VanDerWaalsContact CE2-CD1 3.44Å; F132-I159 HydrophobicContact CZ-CD1 3.31Å
133	P	98.1	Very high	98.4	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.052	23%	0.226	C	C	.	.			trans	-73.5	78.8	-177.9	30.1	-35.8	0	0	0	112.4	L109 L124 F129 P135 I136 L147	L109-P133 HydrophobicContact CD1-CB 3.87Å; L109-P133 HydrophobicContact CD1-CG 4.26Å; L109-P133 HydrophobicContact CG-CB 4.16Å; L124-P133 HydrophobicContact CD1-CG 4.47Å; F129-P133 HydrophobicContact CD1-CB 4.1Å; F129-P133 HydrophobicContact CD1-CG 4.29Å; F129-P133 HydrophobicContact CE1-CB 3.79Å; F129-P133 HydrophobicContact CE1-CG 4.17Å; P133-P135 VanDerWaalsContact C-N 3.32Å; P133-P135 VanDerWaalsContact O-CD 3.3Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P133-I136 HydrophobicContact CB-CG2 4.47Å; P133-I136 HydrophobicContact CG-CD1 3.9Å; P133-I136 HydrophobicContact CG-CG1 4.37Å; P133-I136 HydrophobicContact CG-CG2 4.41Å; P133-I136 WeakPolarHBondContact O-CG1 3.35Å; P133-I136 PolarHBondContact O-N 2.81Å; P133-L147 HydrophobicContact CG-CD1 4.49Å; P133-L147 HydrophobicContact CG-CD2 4.24Å
134	K	98	Very high	98.4	Very high	123 Å²	123	44.6 Å²	44.6	54%	0.535	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-44.7	-34.9	-173.1	-68.1	173.4	-178.8	163.4	0	117.2	F132 I136 L137	F132-K134 VanDerWaalsContact C-N 3.31Å; F132-K134 PolarHBondContact O-N 3.26Å; K134-I136 PolarHBondContact O-N 2.84Å; K134-I136 VanDerWaalsContact O-N 3.09Å; K134-L137 HydrophobicContact CB-CD1 4.4Å; K134-L137 HydrophobicContact CG-CD1 4.48Å; K134-L137 VanDerWaalsContact O-CB 3.27Å; K134-L137 WeakPolarHBondContact O-CB 3.32Å; K134-L137 VanDerWaalsContact O-CG 3.28Å; K134-L137 WeakPolarHBondContact O-CG 3.22Å; K134-L137 PolarHBondContact O-N 2.93Å
135	P	98.2	Very high	98.4	Very high	28 Å²	28	44.6 Å²	44.6	18%	0.182	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.9	-26.6	175.7	-30.1	38.4	0	0	0	114.8	I113 P133 L137 K138	I113-P135 HydrophobicContact CG2-CB 3.5Å; P133-P135 VanDerWaalsContact C-N 3.32Å; P133-P135 VanDerWaalsContact O-CD 3.3Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-L137 PolarHBondContact O-N 3.39Å; P135-K138 PolarHBondContact O-N 3.01Å
136	I	98.4	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-70.2	-17.1	179.2	78.1	176	0	0	0	113.1	L109 I113 L122 F132 P133 K134 K138 L139 L145	L109-I136 HydrophobicContact CD1-CG2 3.51Å; I113-I136 HydrophobicContact CD1-CG2 4.42Å; I113-I136 HydrophobicContact CG2-CG2 4.48Å; L122-I136 HydrophobicContact CD2-CB 4.26Å; L122-I136 HydrophobicContact CD2-CD1 4.17Å; L122-I136 HydrophobicContact CD2-CG2 3.68Å; F132-I136 HydrophobicContact CE1-CD1 3.94Å; F132-I136 HydrophobicContact CE1-CG1 3.65Å; F132-I136 HydrophobicContact CE2-CD1 4.34Å; F132-I136 HydrophobicContact CZ-CD1 3.58Å; F132-I136 HydrophobicContact CZ-CG1 3.74Å; P133-I136 HydrophobicContact CB-CG2 4.47Å; P133-I136 HydrophobicContact CG-CD1 3.9Å; P133-I136 HydrophobicContact CG-CG1 4.37Å; P133-I136 HydrophobicContact CG-CG2 4.41Å; P133-I136 WeakPolarHBondContact O-CG1 3.35Å; P133-I136 PolarHBondContact O-N 2.81Å; K134-I136 PolarHBondContact O-N 2.84Å; K134-I136 VanDerWaalsContact O-N 3.09Å; I136-K138 PolarHBondContact O-N 3.29Å; I136-L139 HydrophobicContact CB-CD1 3.93Å; I136-L139 HydrophobicContact CB-CG 4.44Å; I136-L139 HydrophobicContact CG2-CD1 4.22Å; I136-L139 VanDerWaalsContact O-CB 3.25Å; I136-L139 WeakPolarHBondContact O-CB 3.22Å; I136-L139 WeakPolarHBondContact O-CG 3.36Å; I136-L139 PolarHBondContact O-N 2.8Å; I136-L145 HydrophobicContact CD1-CD1 3.65Å; I136-L145 HydrophobicContact CD1-CD2 3.54Å; I136-L145 HydrophobicContact CD1-CG 4.27Å
137	L	98.3	Very high	98.4	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.105	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.2	-13	174	-59.3	175.1	0	0	0	112.6	F132 K134 P135 P156 S158 I159 L162	F132-L137 HydrophobicContact CD1-CD2 4.43Å; F132-L137 HydrophobicContact CE1-CD1 4.45Å; F132-L137 HydrophobicContact CE1-CD2 3.52Å; F132-L137 HydrophobicContact CE1-CG 3.83Å; F132-L137 HydrophobicContact CZ-CD2 3.98Å; K134-L137 HydrophobicContact CB-CD1 4.4Å; K134-L137 HydrophobicContact CG-CD1 4.48Å; K134-L137 VanDerWaalsContact O-CB 3.27Å; K134-L137 WeakPolarHBondContact O-CB 3.32Å; K134-L137 VanDerWaalsContact O-CG 3.28Å; K134-L137 WeakPolarHBondContact O-CG 3.22Å; K134-L137 PolarHBondContact O-N 2.93Å; P135-L137 PolarHBondContact O-N 3.39Å; L137-P156 HydrophobicContact CD1-CB 4.44Å; L137-P156 HydrophobicContact CD1-CG 4.01Å; L137-P156 HydrophobicContact CD2-CG 4.41Å; L137-S158 WeakPolarHBondContact CD2-O 3.24Å; L137-I159 HydrophobicContact CD2-CD1 4.29Å; L137-L162 HydrophobicContact CD2-CD1 4.42Å; L137-L162 HydrophobicContact CD2-CG 4.45Å
138	K	98.2	Very high	98.4	Very high	109 Å²	109	41.4 Å²	41.4	47%	0.474	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-89.2	-0.1	174.1	-59.5	-55.4	-175.5	-168.7	0	113.7	E114 K117 P135 I136 T140	E114-K138 HydrophobicContact CB-CB 3.83Å; E114-K138 HydrophobicContact CB-CG 4.09Å; K117-K138 PolarHBondContact NZ-O 3.18Å; P135-K138 PolarHBondContact O-N 3.01Å; I136-K138 PolarHBondContact O-N 3.29Å; K138-T140 PolarHBondContact O-N 3.12Å
139	L	98.3	Very high	98.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.			trans	-93.4	70.9	-178.9	-53.4	-179.2	0	0	0	110.1	I113 L116 M119 I136 K141 L142	I113-L139 WeakPolarHBondContact O-CD2 3.43Å; L116-L139 HydrophobicContact CB-CD2 4.19Å; L116-L139 WeakPolarHBondContact O-CD2 3.25Å; M119-L139 HydrophobicContact CB-CD1 4.1Å; M119-L139 HydrophobicContact CB-CD2 4.36Å; M119-L139 HydrophobicContact CG-CD1 4.02Å; I136-L139 HydrophobicContact CB-CD1 3.93Å; I136-L139 HydrophobicContact CB-CG 4.44Å; I136-L139 HydrophobicContact CG2-CD1 4.22Å; I136-L139 VanDerWaalsContact O-CB 3.25Å; I136-L139 WeakPolarHBondContact O-CB 3.22Å; I136-L139 WeakPolarHBondContact O-CG 3.36Å; I136-L139 PolarHBondContact O-N 2.8Å; L139-K141 PolarHBondContact O-N 3.45Å; L139-L142 HydrophobicContact CB-CB 4.22Å; L139-L142 WeakPolarHBondContact O-CB 3.09Å; L139-L142 PolarHBondContact O-N 3.48Å
140	T	96.3	Very high	98.4	Very high	78 Å²	78	40.5 Å²	40.5	48%	0.479	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.3	-171.9	55.3	0	0	0	0	114.9	K138 N164	K138-T140 PolarHBondContact O-N 3.12Å; T140-N164 PolarHBondContact O-ND2 2.79Å
141	K	98.5	Very high	98.4	Very high	85 Å²	85	40.4 Å²	40.4	37%	0.37	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.6	172.8	-63.2	-163.6	-173.3	-175.2	0	113.8	K117 M119 L139 E143	K117-K141 VanDerWaalsContact O-CD 3.29Å; K117-K141 WeakPolarHBondContact O-CD 3.44Å; M119-K141 CarbonylContact O-C 3.27Å; L139-K141 PolarHBondContact O-N 3.45Å; K141-E143 PolarHBondContact O-N 2.82Å
142	L	98.8	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.			trans	-66.3	122.9	-177.6	-163.7	72.3	0	0	0	109.8	M119 L122 L139 L145 L162 N164 L165	M119-L142 HydrophobicContact CG-CD1 3.75Å; M119-L142 PolarHBondContact O-N 3.44Å; L122-L142 HydrophobicContact CB-CD1 3.84Å; L139-L142 HydrophobicContact CB-CB 4.22Å; L139-L142 WeakPolarHBondContact O-CB 3.09Å; L139-L142 PolarHBondContact O-N 3.48Å; L142-L145 HydrophobicContact CD2-CB 3.99Å; L142-L145 HydrophobicContact CD2-CD1 4.38Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L142-L162 HydrophobicContact CD2-CD1 4.19Å; L142-N164 CarbonylContact O-C 3.57Å; L142-N164 VanDerWaalsContact O-C 3.24Å; L142-L165 HydrophobicContact CD2-CD1 4.28Å; L142-L165 HydrophobicContact CG-CD1 4.21Å; L142-L165 WeakPolarHBondContact O-CA 3.27Å; L142-L165 PolarHBondContact O-N 2.75Å
143	E	98.8	Very high	98.5	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.313	19%	0.187	S	C	.	.			trans	-108.2	-31.2	-178.8	-69.3	159.4	-159.6	0	0	110.5	K120 K141 N164 E166 S167	K120-E143 IonicContact NZ-OE1 3.89Å; K120-E143 PolarHBondContact NZ-OE1 2.89Å; K120-E143 IonicContact NZ-OE2 3.53Å; K120-E143 PolarHBondContact O-N 2.97Å; K141-E143 PolarHBondContact O-N 2.82Å; E143-N164 WeakPolarHBondContact CA-O 3.32Å; E143-E166 WeakPolarHBondContact O-CA 3.45Å; E143-E166 PolarHBondContact O-N 2.9Å; E143-S167 PolarHBondContact O-N 2.7Å
144	F	98.9	Very high	98.5	Very high	48 Å²	48	43.8 Å²	43.8	21%	0.211	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127	179.7	-177.3	-78.5	0	0	0	111.1	K120 L122 H123 D146 S167 L169	K120-F144 PolarHBondContact O-N 2.92Å; L122-F144 PolarHBondContact N-O 3.46Å; H123-F144 AromaticContact CE1-CD1 3.63Å; H123-F144 AromaticContact CE1-CE1 3.24Å; H123-F144 WeakPolarHBondContact CE1-CE1 3.35Å; H123-F144 AromaticContact CE1-CZ 3.88Å; H123-F144 AromaticContact ND1-CD1 3.96Å; H123-F144 AromaticContact ND1-CE1 3.25Å; H123-F144 VanDerWaalsContact ND1-CE1 3.25Å; H123-F144 WeakPolarHBondContact ND1-CE1 3.45Å; H123-F144 AromaticContact ND1-CZ 3.96Å; F144-D146 HydrophobicContact CE1-CB 3.56Å; F144-D146 HydrophobicContact CZ-CB 3.98Å; F144-S167 VanDerWaalsContact CD2-CB 3.43Å; F144-L169 HydrophobicContact CE2-CD1 4.09Å; F144-L169 HydrophobicContact CZ-CD1 3.66Å; F144-L169 HydrophobicContact CZ-CG 4.28Å
145	L	98.9	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.2	173.3	178.3	57.8	0	0	0	110.5	L122 F132 I136 L142 L147 L165 S167 L168 L169	L122-L145 HydrophobicContact CB-CD1 4.15Å; L122-L145 HydrophobicContact CD2-CD1 4.06Å; L122-L145 HydrophobicContact CG-CD1 4.2Å; L122-L145 WeakPolarHBondContact O-CA 3.46Å; F132-L145 HydrophobicContact CE2-CD2 4.04Å; F132-L145 HydrophobicContact CZ-CD2 4.04Å; I136-L145 HydrophobicContact CD1-CD1 3.65Å; I136-L145 HydrophobicContact CD1-CD2 3.54Å; I136-L145 HydrophobicContact CD1-CG 4.27Å; L142-L145 HydrophobicContact CD2-CB 3.99Å; L142-L145 HydrophobicContact CD2-CD1 4.38Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L145-L147 HydrophobicContact CD1-CD1 4.1Å; L145-L147 HydrophobicContact CD1-CG 4.11Å; L145-L147 HydrophobicContact CD2-CD1 3.92Å; L145-L147 HydrophobicContact CG-CD1 4.06Å; L145-L147 HydrophobicContact CG-CG 4.34Å; L145-L165 HydrophobicContact CB-CD1 3.87Å; L145-S167 PolarHBondContact N-O 3.45Å; L145-L168 HydrophobicContact CB-CD1 4.25Å; L145-L168 HydrophobicContact CD2-CD1 3.93Å; L145-L168 HydrophobicContact CG-CD1 4.14Å; L145-L168 WeakPolarHBondContact O-CA 3.46Å; L145-L169 PolarHBondContact O-N 3.17Å
146	D	98.9	Very high	98.4	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.3	172.3	-175.2	5.3	0	0	0	111	L122 L124 A125 F144 S148 L169	L122-D146 PolarHBondContact O-N 2.82Å; L124-D146 CarbonylContact C-O 3.38Å; L124-D146 WeakPolarHBondContact CA-O 3.24Å; L124-D146 WeakPolarHBondContact CB-O 3.25Å; L124-D146 PolarHBondContact N-O 3.24Å; A125-D146 PolarHBondContact N-O 3.03Å; F144-D146 HydrophobicContact CE1-CB 3.56Å; F144-D146 HydrophobicContact CZ-CB 3.98Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; D146-L169 HydrophobicContact CB-CB 4.13Å; D146-L169 HydrophobicContact CB-CD1 4.12Å; D146-L169 HydrophobicContact CB-CG 4.34Å; D146-L169 WeakPolarHBondContact OD1-CB 3.32Å
147	L	98.9	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.			trans	-123.9	21.1	175.9	-80	163	0	0	0	110.6	L124 F129 F132 P133 L145 N150 L152 L169 L170 N173	L124-L147 HydrophobicContact CB-CD2 3.89Å; L124-L147 HydrophobicContact CD1-CD2 4.06Å; F129-L147 HydrophobicContact CD2-CD2 4.15Å; F129-L147 HydrophobicContact CG-CD2 4.45Å; F132-L147 HydrophobicContact CD2-CD1 3.92Å; F132-L147 HydrophobicContact CE2-CD1 3.68Å; P133-L147 HydrophobicContact CG-CD1 4.49Å; P133-L147 HydrophobicContact CG-CD2 4.24Å; L145-L147 HydrophobicContact CD1-CD1 4.1Å; L145-L147 HydrophobicContact CD1-CG 4.11Å; L145-L147 HydrophobicContact CD2-CD1 3.92Å; L145-L147 HydrophobicContact CG-CD1 4.06Å; L145-L147 HydrophobicContact CG-CG 4.34Å; L147-N150 WeakPolarHBondContact O-CB 3.42Å; L147-N150 PolarHBondContact O-ND2 2.77Å; L147-L152 HydrophobicContact CB-CD1 3.9Å; L147-L152 HydrophobicContact CD1-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD1 4.48Å; L147-L152 HydrophobicContact CG-CD1 4.36Å; L147-L169 CarbonylContact C-O 3.23Å; L147-L169 PolarHBondContact N-O 3.11Å; L147-L170 HydrophobicContact CB-CD2 3.92Å; L147-L170 HydrophobicContact CD1-CD2 4.44Å; L147-N173 PolarHBondContact O-ND2 2.97Å
148	S	98.8	Very high	98.3	Very high	10 Å²	10	43.2 Å²	43.2	7%	0.07	23%	0.227	C	C	.	.			trans	-61.6	153.9	-179.3	-50.3	0	0	0	0	112.2	A125 N126 D146 N150 L169 F171	A125-S148 CarbonylContact C-O 3.55Å; A125-S148 WeakPolarHBondContact CA-O 3.42Å; N126-S148 PolarHBondContact N-O 3.48Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; S148-N150 PolarHBondContact O-N 3Å; S148-N150 PolarHBondContact O-ND2 3.26Å; S148-L169 PolarHBondContact N-O 2.9Å; S148-L169 WeakPolarHBondContact OG-CB 3.47Å; S148-F171 CarbonylContact C-O 3.19Å; S148-F171 WeakPolarHBondContact CA-O 3.15Å; S148-F171 WeakPolarHBondContact CB-O 3.35Å
149	S	98.8	Very high	98.3	Very high	36 Å²	36	38 Å²	38	25%	0.252	20%	0.204	S	C	.	.	S	Bend	trans	53.5	51.8	-179.2	-62.6	0	0	0	0	112.5	N126 N127 F171 D172	N126-S149 WeakPolarHBondContact CA-O 3.19Å; N126-S149 PolarHBondContact N-O 3.28Å; N127-S149 PolarHBondContact N-O 2.93Å; S149-F171 PolarHBondContact N-O 3.17Å; S149-D172 WeakPolarHBondContact CA-O 3.37Å; S149-D172 WeakPolarHBondContact CB-OD2 3.35Å; S149-D172 PolarHBondContact N-O 3.23Å; S149-D172 VanDerWaalsContact N-O 3.15Å; S149-D172 PolarHBondContact OG-OD2 3.24Å
150	N	98.9	Very high	98.2	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-120.9	-158.7	172.4	-84.8	-78.4	0	0	0	109.3	L124 N127 L128 F129 L147 S148 L152 D172 N173	L124-N150 PolarHBondContact O-ND2 3.37Å; N127-N150 WeakPolarHBondContact CA-OD1 3.35Å; N127-N150 WeakPolarHBondContact CB-OD1 3.26Å; N127-N150 PolarHBondContact N-OD1 2.82Å; N127-N150 PolarHBondContact O-OD1 2.99Å; L128-N150 PolarHBondContact N-OD1 3.38Å; F129-N150 HydrophobicContact CB-CB 4.29Å; F129-N150 WeakPolarHBondContact CD2-OD1 3.32Å; F129-N150 PolarHBondContact N-OD1 3.02Å; L147-N150 WeakPolarHBondContact O-CB 3.42Å; L147-N150 PolarHBondContact O-ND2 2.77Å; S148-N150 PolarHBondContact O-N 3Å; S148-N150 PolarHBondContact O-ND2 3.26Å; N150-L152 HydrophobicContact CB-CG 4.29Å; N150-D172 PolarHBondContact N-O 3.42Å; N150-N173 WeakPolarHBondContact CA-OD1 3.47Å; N150-N173 WeakPolarHBondContact CB-OD1 3.41Å; N150-N173 PolarHBondContact N-OD1 2.95Å; N150-N173 PolarHBondContact O-OD1 3.38Å
151	H	98.7	Very high	98.2	Very high	59 Å²	59	38.7 Å²	38.7	27%	0.273	21%	0.205	S	C	.	.			trans	-123.7	26.6	-177.9	-58.1	-25.9	0	0	0	111.7	F129 E153 N173 R174	F129-H151 CarbonylContact O-C 3.24Å; F129-H151 VanDerWaalsContact O-C 3.27Å; F129-H151 WeakPolarHBondContact O-CA 3.32Å; F129-H151 WeakPolarHBondContact O-CB 3.34Å; F129-H151 PolarHBondContact O-N 3.22Å; H151-E153 PolarHBondContact O-N 3.25Å; H151-N173 PolarHBondContact N-OD1 2.99Å; H151-R174 PolarHBondContact ND1-NH2 2.68Å; H151-R174 VanDerWaalsContact ND1-NH2 3.15Å
152	L	98.8	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.			trans	-67.9	125.7	-175.8	-59.3	178.2	0	0	0	110.9	F129 E131 L147 N150 L170 N173 R174 L175	F129-L152 HydrophobicContact CB-CD2 4.02Å; F129-L152 PolarHBondContact O-N 3.36Å; E131-L152 WeakPolarHBondContact O-CD2 3.16Å; L147-L152 HydrophobicContact CB-CD1 3.9Å; L147-L152 HydrophobicContact CD1-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD1 4.48Å; L147-L152 HydrophobicContact CG-CD1 4.36Å; N150-L152 HydrophobicContact CB-CG 4.29Å; L152-L170 HydrophobicContact CD1-CD2 3.91Å; L152-N173 HydrophobicContact CB-CB 4.37Å; L152-N173 WeakPolarHBondContact CB-OD1 3.19Å; L152-N173 WeakPolarHBondContact CG-OD1 3.34Å; L152-N173 PolarHBondContact N-OD1 3.03Å; L152-R174 CarbonylContact O-C 3.36Å; L152-R174 VanDerWaalsContact O-CA 3.25Å; L152-R174 WeakPolarHBondContact O-CA 3.47Å; L152-R174 WeakPolarHBondContact O-CB 3.34Å; L152-R174 PolarHBondContact O-N 3.01Å; L152-L175 HydrophobicContact CB-CD2 4.05Å; L152-L175 PolarHBondContact O-N 3.41Å
153	E	98.4	Very high	98	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	21%	0.213	S	C	.	.			trans	-97.9	-26	177.1	-67.2	-179.6	-170.4	0	0	113.1	H151 R174 L175 I176	H151-E153 PolarHBondContact O-N 3.25Å; E153-R174 HydrophobicContact CG-CB 3.94Å; E153-L175 WeakPolarHBondContact O-CA 3.2Å; E153-I176 PolarHBondContact O-N 3.11Å; E153-I176 VanDerWaalsContact O-N 3.11Å
154	M	98	Very high	98	Very high	128 Å²	128	39.5 Å²	39.5	63%	0.631	22%	0.215	S	C	*	.			trans	-147.6	153.6	179.5	-59.8	-174.2	-58.2	0	0	111
155	L	98.2	Very high	98	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.084	21%	0.205	C	C	.	.			trans	-97.4	144.7	163.1	-55.7	177.1	0	0	0	109.6	F132 L170 L175 L178 P179	F132-L155 HydrophobicContact CD2-CD2 3.9Å; F132-L155 HydrophobicContact CE2-CD2 4.41Å; L155-L170 HydrophobicContact CD1-CD1 3.64Å; L155-L170 HydrophobicContact CD2-CD1 3.94Å; L155-L170 HydrophobicContact CD2-CD2 3.97Å; L155-L170 HydrophobicContact CG-CD1 4.31Å; L155-L175 HydrophobicContact CD2-CD2 4.16Å; L155-L175 HydrophobicContact CG-CD2 4.11Å; L155-L178 HydrophobicContact CD1-CD2 4.05Å; L155-P179 HydrophobicContact CB-CG 3.89Å
156	P	97.7	Very high	98	Very high	26 Å²	26	40.9 Å²	40.9	17%	0.169	22%	0.222	C	C	.	.			trans	-68.5	146.3	168.4	30	-33.1	0	0	0	109.7	F132 L137 S158 I159	F132-P156 HydrophobicContact CB-CG 4.21Å; F132-P156 HydrophobicContact CD1-CG 3.63Å; F132-P156 HydrophobicContact CE1-CG 4.16Å; F132-P156 VanDerWaalsContact CG-CD 3.45Å; F132-P156 HydrophobicContact CG-CG 3.88Å; L137-P156 HydrophobicContact CD1-CB 4.44Å; L137-P156 HydrophobicContact CD1-CG 4.01Å; L137-P156 HydrophobicContact CD2-CG 4.41Å; P156-S158 PolarHBondContact O-N 3.05Å; P156-I159 WeakPolarHBondContact O-CB 3.33Å; P156-I159 VanDerWaalsContact O-CG2 3.27Å; P156-I159 WeakPolarHBondContact O-CG2 3.22Å; P156-I159 PolarHBondContact O-N 3.33Å
157	S	96.4	Very high	98	Very high	69 Å²	69	41 Å²	41	48%	0.483	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-57.4	-38	173.6	55.4	0	0	0	0	112	I159 T160	S157-I159 PolarHBondContact O-N 3.2Å; S157-T160 PolarHBondContact O-N 3.09Å; S157-T160 PolarHBondContact O-OG1 3.23Å
158	S	96.9	Very high	97.9	Very high	48 Å²	48	41 Å²	41	34%	0.336	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-58.3	-1.1	173.3	-58.5	0	0	0	0	115.4	L137 P156 T160 D161	L137-S158 WeakPolarHBondContact CD2-O 3.24Å; P156-S158 PolarHBondContact O-N 3.05Å; S158-T160 PolarHBondContact O-N 2.96Å; S158-D161 WeakPolarHBondContact O-CB 3.11Å; S158-D161 PolarHBondContact O-N 3.37Å
159	I	98	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.9	-30.8	166.9	-166.4	68.8	0	0	0	111.5	F132 L137 P156 S157 D161 L162 L168 P179 I182	F132-I159 HydrophobicContact CD2-CD1 4.47Å; F132-I159 HydrophobicContact CE1-CD1 4.28Å; F132-I159 HydrophobicContact CE2-CD1 3.44Å; F132-I159 VanDerWaalsContact CE2-CD1 3.44Å; F132-I159 HydrophobicContact CZ-CD1 3.31Å; L137-I159 HydrophobicContact CD2-CD1 4.29Å; P156-I159 WeakPolarHBondContact O-CB 3.33Å; P156-I159 VanDerWaalsContact O-CG2 3.27Å; P156-I159 WeakPolarHBondContact O-CG2 3.22Å; P156-I159 PolarHBondContact O-N 3.33Å; S157-I159 PolarHBondContact O-N 3.2Å; I159-D161 PolarHBondContact O-N 3.43Å; I159-L162 HydrophobicContact CD1-CD1 3.81Å; I159-L162 WeakPolarHBondContact O-CB 3.21Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.11Å; I159-L168 HydrophobicContact CG1-CD2 4.43Å; I159-P179 HydrophobicContact CG2-CG 4.02Å; I159-I182 HydrophobicContact CG2-CD1 4.12Å
160	T	96.6	Very high	97.9	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17	176.2	55.2	0	0	0	0	113.5	S157 S158 L162 D181 E184	S157-T160 PolarHBondContact O-N 3.09Å; S157-T160 PolarHBondContact O-OG1 3.23Å; S158-T160 PolarHBondContact O-N 2.96Å; T160-L162 PolarHBondContact O-N 3.38Å; T160-D181 HydrophobicContact CG2-CB 4.08Å; T160-D181 WeakPolarHBondContact CG2-O 3.12Å; T160-D181 PolarHBondContact OG1-OD2 2.91Å; T160-E184 HydrophobicContact CG2-CB 3.92Å
161	D	96.5	Very high	97.9	Very high	81 Å²	81	42.6 Å²	42.6	43%	0.433	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-65.5	-18.8	172.3	-66.1	-20.2	0	0	0	112.3	S158 I159 I163	S158-D161 WeakPolarHBondContact O-CB 3.11Å; S158-D161 PolarHBondContact O-N 3.37Å; I159-D161 PolarHBondContact O-N 3.43Å; D161-I163 PolarHBondContact O-N 2.85Å
162	L	97.8	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.			trans	-80.6	61.3	176.1	-58.4	179.2	0	0	0	111.1	L137 L142 I159 T160 N164 L165	L137-L162 HydrophobicContact CD2-CD1 4.42Å; L137-L162 HydrophobicContact CD2-CG 4.45Å; L142-L162 HydrophobicContact CD2-CD1 4.19Å; I159-L162 HydrophobicContact CD1-CD1 3.81Å; I159-L162 WeakPolarHBondContact O-CB 3.21Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.11Å; T160-L162 PolarHBondContact O-N 3.38Å; L162-N164 PolarHBondContact O-N 2.79Å; L162-L165 HydrophobicContact CB-CB 4.07Å; L162-L165 HydrophobicContact CB-CD2 4.38Å; L162-L165 HydrophobicContact CD1-CD2 4.22Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 2.9Å
163	I	95.8	Very high	97.9	Very high	105 Å²	105	43.5 Å²	43.5	54%	0.538	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.1	-172.1	61.4	170.9	0	0	0	115.1	D161 N187	D161-I163 PolarHBondContact O-N 2.85Å; I163-N187 PolarHBondContact O-ND2 3.36Å
164	N	98.1	Very high	97.9	Very high	64 Å²	64	43.9 Å²	43.9	34%	0.342	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.2	178.9	-68.6	-58.6	0	0	0	113.2	T140 L142 E143 L162 E166	T140-N164 PolarHBondContact O-ND2 2.79Å; L142-N164 CarbonylContact O-C 3.57Å; L142-N164 VanDerWaalsContact O-C 3.24Å; E143-N164 WeakPolarHBondContact CA-O 3.32Å; L162-N164 PolarHBondContact O-N 2.79Å; N164-E166 PolarHBondContact O-N 3.37Å
165	L	98.5	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.2	C	C	.	.			trans	-67.8	121.1	-175.9	-162.4	67.7	0	0	0	110.5	L142 L145 L162 L168 N187 I188	L142-L165 HydrophobicContact CD2-CD1 4.28Å; L142-L165 HydrophobicContact CG-CD1 4.21Å; L142-L165 WeakPolarHBondContact O-CA 3.27Å; L142-L165 PolarHBondContact O-N 2.75Å; L145-L165 HydrophobicContact CB-CD1 3.87Å; L162-L165 HydrophobicContact CB-CB 4.07Å; L162-L165 HydrophobicContact CB-CD2 4.38Å; L162-L165 HydrophobicContact CD1-CD2 4.22Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 2.9Å; L165-L168 HydrophobicContact CD2-CB 3.94Å; L165-L168 HydrophobicContact CD2-CD1 4.25Å; L165-L168 HydrophobicContact CD2-CD2 4.25Å; L165-L168 HydrophobicContact CD2-CG 4.38Å; L165-N187 CarbonylContact O-C 3.47Å; L165-I188 HydrophobicContact CB-CD1 4.2Å; L165-I188 HydrophobicContact CD2-CD1 4.1Å; L165-I188 HydrophobicContact CG-CD1 3.89Å; L165-I188 WeakPolarHBondContact O-CD1 3.37Å; L165-I188 WeakPolarHBondContact O-CG1 3.07Å; L165-I188 PolarHBondContact O-N 2.84Å
166	E	98.5	Very high	98	Very high	77 Å²	77	41.7 Å²	41.7	36%	0.36	22%	0.22	S	C	.	.			trans	-104.8	-30.2	178.7	-58	-168.1	170.5	0	0	112.2	E143 N164 N187 R189 C190	E143-E166 WeakPolarHBondContact O-CA 3.45Å; E143-E166 PolarHBondContact O-N 2.9Å; N164-E166 PolarHBondContact O-N 3.37Å; E166-N187 WeakPolarHBondContact CA-O 3.37Å; E166-N187 HydrophobicContact CG-CB 4.49Å; E166-R189 PolarHBondContact O-N 3.15Å; E166-C190 PolarHBondContact O-N 2.89Å
167	S	98.7	Very high	98	Very high	25 Å²	25	43.1 Å²	43.1	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.3	178.8	-63	0	0	0	0	111.2	E143 F144 L145 C190	E143-S167 PolarHBondContact O-N 2.7Å; F144-S167 VanDerWaalsContact CD2-CB 3.43Å; L145-S167 PolarHBondContact N-O 3.45Å; S167-C190 WeakPolarHBondContact CA-O 3.38Å
168	L	98.7	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	106.2	174.7	178.2	55.4	0	0	0	109.5	L145 I159 L165 L170 L185 I188 C190 L191 W192	L145-L168 HydrophobicContact CB-CD1 4.25Å; L145-L168 HydrophobicContact CD2-CD1 3.93Å; L145-L168 HydrophobicContact CG-CD1 4.14Å; L145-L168 WeakPolarHBondContact O-CA 3.46Å; I159-L168 HydrophobicContact CG1-CD2 4.43Å; L165-L168 HydrophobicContact CD2-CB 3.94Å; L165-L168 HydrophobicContact CD2-CD1 4.25Å; L165-L168 HydrophobicContact CD2-CD2 4.25Å; L165-L168 HydrophobicContact CD2-CG 4.38Å; L168-L170 HydrophobicContact CD1-CD1 4Å; L168-L170 HydrophobicContact CD1-CD2 4.26Å; L168-L170 HydrophobicContact CD1-CG 3.94Å; L168-L170 HydrophobicContact CD2-CD1 3.84Å; L168-L170 HydrophobicContact CG-CD1 3.71Å; L168-L170 HydrophobicContact CG-CG 4Å; L168-L185 HydrophobicContact CD2-CD1 4.36Å; L168-I188 HydrophobicContact CB-CD1 3.87Å; L168-C190 PolarHBondContact N-O 2.8Å; L168-L191 HydrophobicContact CB-CD1 4.08Å; L168-L191 HydrophobicContact CD2-CD1 4.12Å; L168-L191 HydrophobicContact CG-CD1 4.12Å; L168-L191 WeakPolarHBondContact O-CA 3.15Å; L168-W192 PolarHBondContact O-N 3.15Å; L168-W192 VanDerWaalsContact O-N 3.08Å
169	L	98.8	Very high	98.1	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.3	-179	-44.1	-174.1	0	0	0	109.7	F144 L145 D146 L147 S148 W192	F144-L169 HydrophobicContact CE2-CD1 4.09Å; F144-L169 HydrophobicContact CZ-CD1 3.66Å; F144-L169 HydrophobicContact CZ-CG 4.28Å; L145-L169 PolarHBondContact O-N 3.17Å; D146-L169 HydrophobicContact CB-CB 4.13Å; D146-L169 HydrophobicContact CB-CD1 4.12Å; D146-L169 HydrophobicContact CB-CG 4.34Å; D146-L169 WeakPolarHBondContact OD1-CB 3.32Å; L147-L169 CarbonylContact C-O 3.23Å; L147-L169 PolarHBondContact N-O 3.11Å; S148-L169 PolarHBondContact N-O 2.9Å; S148-L169 WeakPolarHBondContact OG-CB 3.47Å; L169-W192 HydrophobicContact CB-CB 4.49Å; L169-W192 HydrophobicContact CD1-CE3 4.28Å; L169-W192 HydrophobicContact CD1-CZ3 4.43Å; L169-W192 HydrophobicContact CD2-CB 4.11Å; L169-W192 HydrophobicContact CD2-CD2 3.84Å; L169-W192 HydrophobicContact CD2-CE3 4.19Å; L169-W192 HydrophobicContact CD2-CG 3.8Å
170	L	98.7	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.			trans	-132.9	19	-175.7	-66.1	165.1	0	0	0	111.2	L147 L152 L155 L168 N173 L175 W192 L193 N196	L147-L170 HydrophobicContact CB-CD2 3.92Å; L147-L170 HydrophobicContact CD1-CD2 4.44Å; L152-L170 HydrophobicContact CD1-CD2 3.91Å; L155-L170 HydrophobicContact CD1-CD1 3.64Å; L155-L170 HydrophobicContact CD2-CD1 3.94Å; L155-L170 HydrophobicContact CD2-CD2 3.97Å; L155-L170 HydrophobicContact CG-CD1 4.31Å; L168-L170 HydrophobicContact CD1-CD1 4Å; L168-L170 HydrophobicContact CD1-CD2 4.26Å; L168-L170 HydrophobicContact CD1-CG 3.94Å; L168-L170 HydrophobicContact CD2-CD1 3.84Å; L168-L170 HydrophobicContact CG-CD1 3.71Å; L168-L170 HydrophobicContact CG-CG 4Å; L170-N173 PolarHBondContact O-ND2 2.89Å; L170-N173 VanDerWaalsContact O-ND2 3.15Å; L170-L175 HydrophobicContact CB-CD1 3.95Å; L170-L175 HydrophobicContact CD1-CD1 3.95Å; L170-L175 HydrophobicContact CG-CD1 4.38Å; L170-W192 CarbonylContact C-O 3.39Å; L170-W192 VanDerWaalsContact C-O 3.23Å; L170-W192 VanDerWaalsContact CA-O 3.28Å; L170-W192 WeakPolarHBondContact CA-O 3.46Å; L170-W192 WeakPolarHBondContact CB-O 3.38Å; L170-W192 PolarHBondContact N-O 3.38Å; L170-L193 HydrophobicContact CB-CD2 4.26Å; L170-L193 HydrophobicContact CD1-CD2 4.02Å; L170-N196 PolarHBondContact O-ND2 3.08Å
171	F	98.5	Very high	98.1	Very high	72 Å²	72	47 Å²	47	32%	0.316	24%	0.238	S	C	.	.			trans	-56.9	146.2	179.5	-179.6	-92.1	0	0	0	110.7	S148 S149 N173 W192 G194 D195	S148-F171 CarbonylContact C-O 3.19Å; S148-F171 WeakPolarHBondContact CA-O 3.15Å; S148-F171 WeakPolarHBondContact CB-O 3.35Å; S149-F171 PolarHBondContact N-O 3.17Å; F171-N173 PolarHBondContact O-ND2 3.28Å; F171-W192 HydrophobicContact CB-CB 4.23Å; F171-W192 PolarHBondContact N-O 2.84Å; F171-W192 VanDerWaalsContact N-O 3.17Å; F171-G194 CarbonylContact C-O 3.4Å; F171-G194 WeakPolarHBondContact CA-O 3.25Å; F171-D195 HydrophobicContact CE2-CB 4.19Å; F171-D195 HydrophobicContact CZ-CB 4.09Å; F171-D195 WeakPolarHBondContact CZ-OD2 3.13Å
172	D	98.6	Very high	98.1	Very high	73 Å²	73	43.3 Å²	43.3	39%	0.39	22%	0.218	S	C	.	.	S	Bend	trans	55	63.4	176.5	-177.1	38.3	0	0	0	112.3	S149 N150 G194 D195	S149-D172 WeakPolarHBondContact CA-O 3.37Å; S149-D172 WeakPolarHBondContact CB-OD2 3.35Å; S149-D172 PolarHBondContact N-O 3.23Å; S149-D172 VanDerWaalsContact N-O 3.15Å; S149-D172 PolarHBondContact OG-OD2 3.24Å; N150-D172 PolarHBondContact N-O 3.42Å; D172-G194 PolarHBondContact N-O 2.95Å; D172-D195 WeakPolarHBondContact CA-O 3.4Å; D172-D195 HydrophobicContact CB-CB 4.38Å
173	N	98.8	Very high	98.1	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.027	22%	0.219	C	C	.	.	S	Bend	trans	-130.2	-161.8	174.3	-90.3	-79.8	0	0	0	109	L147 N150 H151 L152 L170 F171 L175 D195 N196	L147-N173 PolarHBondContact O-ND2 2.97Å; N150-N173 WeakPolarHBondContact CA-OD1 3.47Å; N150-N173 WeakPolarHBondContact CB-OD1 3.41Å; N150-N173 PolarHBondContact N-OD1 2.95Å; N150-N173 PolarHBondContact O-OD1 3.38Å; H151-N173 PolarHBondContact N-OD1 2.99Å; L152-N173 HydrophobicContact CB-CB 4.37Å; L152-N173 WeakPolarHBondContact CB-OD1 3.19Å; L152-N173 WeakPolarHBondContact CG-OD1 3.34Å; L152-N173 PolarHBondContact N-OD1 3.03Å; L170-N173 PolarHBondContact O-ND2 2.89Å; L170-N173 VanDerWaalsContact O-ND2 3.15Å; F171-N173 PolarHBondContact O-ND2 3.28Å; N173-L175 HydrophobicContact CB-CG 4.32Å; N173-D195 PolarHBondContact N-O 2.93Å; N173-N196 VanDerWaalsContact CA-OD1 3.29Å; N173-N196 WeakPolarHBondContact CA-OD1 2.97Å; N173-N196 WeakPolarHBondContact CB-OD1 3.46Å; N173-N196 PolarHBondContact N-OD1 2.85Å; N173-N196 PolarHBondContact O-OD1 3.42Å
174	R	98.6	Very high	98.1	Very high	108 Å²	108	43.9 Å²	43.9	41%	0.408	22%	0.219	S	C	.	.			trans	-120.9	23.2	-179.8	-57.8	176.1	-172.2	161.9	4.3	111.7	H151 L152 E153 I176 N196	H151-R174 PolarHBondContact ND1-NH2 2.68Å; H151-R174 VanDerWaalsContact ND1-NH2 3.15Å; L152-R174 CarbonylContact O-C 3.36Å; L152-R174 VanDerWaalsContact O-CA 3.25Å; L152-R174 WeakPolarHBondContact O-CA 3.47Å; L152-R174 WeakPolarHBondContact O-CB 3.34Å; L152-R174 PolarHBondContact O-N 3.01Å; E153-R174 HydrophobicContact CG-CB 3.94Å; R174-I176 WeakPolarHBondContact O-CG1 3.49Å; R174-I176 PolarHBondContact O-N 2.78Å; R174-N196 PolarHBondContact N-OD1 2.71Å
175	L	98.7	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.			trans	-60.8	123.6	-173.5	-64.1	173.1	0	0	0	110.5	L152 E153 L155 L170 N173 L193 N196 K197 L198	L152-L175 HydrophobicContact CB-CD2 4.05Å; L152-L175 PolarHBondContact O-N 3.41Å; E153-L175 WeakPolarHBondContact O-CA 3.2Å; L155-L175 HydrophobicContact CD2-CD2 4.16Å; L155-L175 HydrophobicContact CG-CD2 4.11Å; L170-L175 HydrophobicContact CB-CD1 3.95Å; L170-L175 HydrophobicContact CD1-CD1 3.95Å; L170-L175 HydrophobicContact CG-CD1 4.38Å; N173-L175 HydrophobicContact CB-CG 4.32Å; L175-L193 HydrophobicContact CD1-CD2 4.4Å; L175-N196 HydrophobicContact CB-CB 4.19Å; L175-N196 VanDerWaalsContact CB-OD1 3.25Å; L175-N196 WeakPolarHBondContact CB-OD1 3.16Å; L175-N196 VanDerWaalsContact CG-OD1 3.31Å; L175-N196 WeakPolarHBondContact CG-OD1 3.48Å; L175-N196 PolarHBondContact N-OD1 3.15Å; L175-K197 CarbonylContact O-C 3.29Å; L175-K197 VanDerWaalsContact O-CA 3.22Å; L175-K197 WeakPolarHBondContact O-CA 3.36Å; L175-K197 WeakPolarHBondContact O-CB 3.5Å; L175-K197 PolarHBondContact O-N 3.22Å; L175-L198 HydrophobicContact CB-CD2 4.04Å; L175-L198 HydrophobicContact CB-CG 4.47Å; L175-L198 PolarHBondContact O-N 3.05Å; L175-L198 VanDerWaalsContact O-N 3.07Å
176	I	98.4	Very high	97.9	Very high	97 Å²	97	47.7 Å²	47.7	50%	0.497	23%	0.228	S	C	.	.			trans	-93.7	-31.5	-179.9	-56.1	172.2	0	0	0	110.9	E153 R174 K197	E153-I176 PolarHBondContact O-N 3.11Å; E153-I176 VanDerWaalsContact O-N 3.11Å; R174-I176 WeakPolarHBondContact O-CG1 3.49Å; R174-I176 PolarHBondContact O-N 2.78Å; I176-K197 HydrophobicContact CG1-CB 4.35Å
177	S	97.9	Very high	97.8	Very high	56 Å²	56	47.3 Å²	47.3	39%	0.392	23%	0.229	S	C	.	.			trans	-147	165.6	174.3	62.7	0	0	0	0	111.5
178	L	98.2	Very high	97.7	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	22%	0.221	C	C	.	.			trans	-102.6	156.9	165.4	-60.7	177.8	0	0	0	109.5	L155 L193 L198 L201 P202 I205	L155-L178 HydrophobicContact CD1-CD2 4.05Å; L178-L193 HydrophobicContact CD1-CD1 3.72Å; L178-L193 HydrophobicContact CD2-CD2 3.85Å; L178-L198 HydrophobicContact CD2-CD2 4.38Å; L178-L198 HydrophobicContact CG-CD1 4.49Å; L178-L198 HydrophobicContact CG-CD2 4.17Å; L178-L201 HydrophobicContact CD1-CD2 3.96Å; L178-P202 HydrophobicContact CB-CG 4.05Å; L178-I205 HydrophobicContact CD1-CD1 4.03Å
179	P	97.8	Very high	97.6	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.091	25%	0.249	C	C	.	.			trans	-59.5	141	169.9	-22.7	34.9	0	0	0	111.7	L155 I159 D181 I182	L155-P179 HydrophobicContact CB-CG 3.89Å; I159-P179 HydrophobicContact CG2-CG 4.02Å; P179-D181 WeakPolarHBondContact CB-OD1 3.29Å; P179-D181 PolarHBondContact O-N 3.05Å; P179-D181 VanDerWaalsContact O-N 3.15Å; P179-I182 WeakPolarHBondContact O-CB 3.38Å; P179-I182 WeakPolarHBondContact O-CG2 3.5Å; P179-I182 PolarHBondContact O-N 3.11Å
180	E	97.6	Very high	97.6	Very high	144 Å²	144	54.2 Å²	54.2	67%	0.673	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	179.7	-68.7	-59.7	151	0	0	113.2	P202 S204	E180-P202 WeakPolarHBondContact OE2-CB 3.25Å; E180-S204 WeakPolarHBondContact O-CB 3.22Å; E180-S204 PolarHBondContact O-OG 3.09Å
181	D	96.4	Very high	97.6	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.5	179	56.3	-16.8	0	0	0	113.4	T160 P179 G183 E184	T160-D181 HydrophobicContact CG2-CB 4.08Å; T160-D181 WeakPolarHBondContact CG2-O 3.12Å; T160-D181 PolarHBondContact OG1-OD2 2.91Å; P179-D181 WeakPolarHBondContact CB-OD1 3.29Å; P179-D181 PolarHBondContact O-N 3.05Å; P179-D181 VanDerWaalsContact O-N 3.15Å; D181-G183 PolarHBondContact O-N 2.9Å; D181-E184 HydrophobicContact CB-CG 4.28Å; D181-E184 VanDerWaalsContact O-CB 3.32Å; D181-E184 WeakPolarHBondContact O-CB 3.38Å; D181-E184 WeakPolarHBondContact O-CG 3.31Å; D181-E184 PolarHBondContact O-N 3.29Å
182	I	97.8	Very high	97.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-53.2	-29.2	-178.8	-165	66.6	0	0	0	113.3	I159 P179 E184 L185 P202 I205	I159-I182 HydrophobicContact CG2-CD1 4.12Å; P179-I182 WeakPolarHBondContact O-CB 3.38Å; P179-I182 WeakPolarHBondContact O-CG2 3.5Å; P179-I182 PolarHBondContact O-N 3.11Å; I182-E184 PolarHBondContact O-N 2.99Å; I182-L185 HydrophobicContact CD1-CD1 3.65Å; I182-L185 HydrophobicContact CG1-CD1 4.49Å; I182-L185 PolarHBondContact O-N 3.32Å; I182-P202 HydrophobicContact CG2-CG 3.54Å; I182-I205 HydrophobicContact CG2-CD1 3.87Å
183	G	96.1	Very high	97.5	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.021	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.1	-13.4	173.2	0	0	0	0	0	116.2	D181 L185 R186 S204	D181-G183 PolarHBondContact O-N 2.9Å; G183-L185 PolarHBondContact O-N 3.44Å; G183-R186 WeakPolarHBondContact O-CD 3Å; G183-R186 PolarHBondContact O-NE 3.15Å; G183-S204 WeakPolarHBondContact CA-O 3.08Å; G183-S204 PolarHBondContact N-OG 2.87Å
184	E	97	Very high	97.5	Very high	115 Å²	115	52 Å²	52	54%	0.537	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-72.8	-14.6	175	-66.2	-171.6	177.2	0	0	113.2	T160 D181 I182 R186	T160-E184 HydrophobicContact CG2-CB 3.92Å; D181-E184 HydrophobicContact CB-CG 4.28Å; D181-E184 VanDerWaalsContact O-CB 3.32Å; D181-E184 WeakPolarHBondContact O-CB 3.38Å; D181-E184 WeakPolarHBondContact O-CG 3.31Å; D181-E184 PolarHBondContact O-N 3.29Å; I182-E184 PolarHBondContact O-N 2.99Å; E184-R186 PolarHBondContact O-N 3.3Å
185	L	97.1	Very high	97.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.237	C	C	.	.			trans	-75.2	62.7	173.6	-64.9	176.1	0	0	0	111.8	L168 I182 G183 N187 I188 L208	L168-L185 HydrophobicContact CD2-CD1 4.36Å; I182-L185 HydrophobicContact CD1-CD1 3.65Å; I182-L185 HydrophobicContact CG1-CD1 4.49Å; I182-L185 PolarHBondContact O-N 3.32Å; G183-L185 PolarHBondContact O-N 3.44Å; L185-N187 PolarHBondContact O-N 2.73Å; L185-I188 HydrophobicContact CB-CB 4.39Å; L185-I188 HydrophobicContact CB-CG1 3.5Å; L185-I188 VanDerWaalsContact CB-CG1 3.5Å; L185-I188 HydrophobicContact CD1-CD1 4.47Å; L185-I188 HydrophobicContact CD1-CG1 4.08Å; L185-I188 HydrophobicContact CG-CG1 4.37Å; L185-I188 WeakPolarHBondContact O-CB 3.25Å; L185-I188 WeakPolarHBondContact O-CG1 3.36Å; L185-I188 PolarHBondContact O-N 3.44Å; L185-L208 HydrophobicContact CB-CD2 4.24Å; L185-L208 WeakPolarHBondContact O-CD2 3.04Å
186	R	94.1	Very high	97.4	Very high	143 Å²	143	50.3 Å²	50.3	54%	0.54	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	-170.6	-60.3	-57.5	-175.8	156.6	-5.6	115.1	G183 E184 E207	G183-R186 WeakPolarHBondContact O-CD 3Å; G183-R186 PolarHBondContact O-NE 3.15Å; E184-R186 PolarHBondContact O-N 3.3Å; R186-E207 IonicContact CZ-OE2 3.84Å; R186-E207 VanDerWaalsContact CZ-OE2 3.23Å; R186-E207 PolarHBondContact NH1-O 2.89Å; R186-E207 IonicContact NH1-OE2 3.78Å; R186-E207 PolarHBondContact NH1-OE2 3.25Å; R186-E207 IonicContact NH2-OE2 2.75Å; R186-E207 PolarHBondContact NH2-OE2 3.43Å
187	N	96.9	Very high	97.4	Very high	69 Å²	69	50.9 Å²	50.9	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.7	179.1	-72	-41.2	0	0	0	113.7	I163 L165 E166 L185 R189	I163-N187 PolarHBondContact O-ND2 3.36Å; L165-N187 CarbonylContact O-C 3.47Å; E166-N187 WeakPolarHBondContact CA-O 3.37Å; E166-N187 HydrophobicContact CG-CB 4.49Å; L185-N187 PolarHBondContact O-N 2.73Å; N187-R189 PolarHBondContact O-N 3.49Å
188	I	97.5	Very high	97.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	22%	0.217	C	C	.	.			trans	-62.6	123.2	-179.6	-73.3	-74.4	0	0	0	110.7	L165 L168 L185 L191 L208 L211	L165-I188 HydrophobicContact CB-CD1 4.2Å; L165-I188 HydrophobicContact CD2-CD1 4.1Å; L165-I188 HydrophobicContact CG-CD1 3.89Å; L165-I188 WeakPolarHBondContact O-CD1 3.37Å; L165-I188 WeakPolarHBondContact O-CG1 3.07Å; L165-I188 PolarHBondContact O-N 2.84Å; L168-I188 HydrophobicContact CB-CD1 3.87Å; L185-I188 HydrophobicContact CB-CB 4.39Å; L185-I188 HydrophobicContact CB-CG1 3.5Å; L185-I188 VanDerWaalsContact CB-CG1 3.5Å; L185-I188 HydrophobicContact CD1-CD1 4.47Å; L185-I188 HydrophobicContact CD1-CG1 4.08Å; L185-I188 HydrophobicContact CG-CG1 4.37Å; L185-I188 WeakPolarHBondContact O-CB 3.25Å; L185-I188 WeakPolarHBondContact O-CG1 3.36Å; L185-I188 PolarHBondContact O-N 3.44Å; I188-L191 HydrophobicContact CG2-CB 4.01Å; I188-L208 HydrophobicContact CB-CD2 4.45Å; I188-L208 HydrophobicContact CG2-CD1 4.45Å; I188-L211 HydrophobicContact CG2-CD1 4.36Å; I188-L211 HydrophobicContact CG2-CD2 3.75Å; I188-L211 HydrophobicContact CG2-CG 4.2Å
189	R	97	Very high	97.5	Very high	158 Å²	158	52.3 Å²	52.3	60%	0.596	24%	0.236	S	C	*	.			trans	-116.1	-20.5	174.7	-64.2	171.8	-168.7	-113.9	2	111.8	E166 N187 S220	E166-R189 PolarHBondContact O-N 3.15Å; N187-R189 PolarHBondContact O-N 3.49Å; R189-S220 WeakPolarHBondContact O-CB 3.4Å; R189-S220 PolarHBondContact O-OG 3.39Å
190	C	98.1	Very high	97.5	Very high	23 Å²	23	54 Å²	54	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.8	176.3	-168.9	0	0	0	0	110.8	E166 S167 L168 W192 S220	E166-C190 PolarHBondContact O-N 2.89Å; S167-C190 WeakPolarHBondContact CA-O 3.38Å; L168-C190 PolarHBondContact N-O 2.8Å; C190-W192 PolarHBondContact SG-NE1 3.17Å; C190-W192 VanDerWaalsContact SG-NE1 3.42Å; C190-S220 CarbonylContact C-O 3.05Å; C190-S220 VanDerWaalsContact CA-O 3.25Å; C190-S220 WeakPolarHBondContact CA-O 3.28Å
191	L	98.2	Very high	97.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	98.3	-179	178.7	57.5	0	0	0	110.9	L168 I188 L193 I205 L208 L211 S220 T221 T222	L168-L191 HydrophobicContact CB-CD1 4.08Å; L168-L191 HydrophobicContact CD2-CD1 4.12Å; L168-L191 HydrophobicContact CG-CD1 4.12Å; L168-L191 WeakPolarHBondContact O-CA 3.15Å; I188-L191 HydrophobicContact CG2-CB 4.01Å; L191-L193 HydrophobicContact CD1-CD1 4.39Å; L191-L193 HydrophobicContact CD1-CD2 4Å; L191-L193 HydrophobicContact CD1-CG 4.05Å; L191-L193 HydrophobicContact CD2-CD1 3.93Å; L191-L193 HydrophobicContact CD2-CG 4.45Å; L191-L193 HydrophobicContact CG-CD1 3.93Å; L191-L193 HydrophobicContact CG-CD2 4.41Å; L191-L193 HydrophobicContact CG-CG 3.91Å; L191-I205 HydrophobicContact CD2-CD1 4.07Å; L191-L208 HydrophobicContact CD2-CD1 3.76Å; L191-L211 HydrophobicContact CB-CD1 3.9Å; L191-L211 HydrophobicContact CB-CD2 3.85Å; L191-L211 HydrophobicContact CD2-CD1 3.91Å; L191-S220 PolarHBondContact N-O 2.98Å; L191-T221 WeakPolarHBondContact O-CA 3.39Å; L191-T221 WeakPolarHBondContact O-CB 3.48Å; L191-T221 PolarHBondContact O-OG1 2.86Å; L191-T221 VanDerWaalsContact O-OG1 3.05Å; L191-T222 PolarHBondContact O-N 3.04Å
192	W	98.1	Very high	97.5	Very high	101 Å²	101	45.7 Å²	45.7	38%	0.383	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.8	-179.8	-69.6	4.6	0	0	0	111	L168 L169 L170 F171 C190 T222	L168-W192 PolarHBondContact O-N 3.15Å; L168-W192 VanDerWaalsContact O-N 3.08Å; L169-W192 HydrophobicContact CB-CB 4.49Å; L169-W192 HydrophobicContact CD1-CE3 4.28Å; L169-W192 HydrophobicContact CD1-CZ3 4.43Å; L169-W192 HydrophobicContact CD2-CB 4.11Å; L169-W192 HydrophobicContact CD2-CD2 3.84Å; L169-W192 HydrophobicContact CD2-CE3 4.19Å; L169-W192 HydrophobicContact CD2-CG 3.8Å; L170-W192 CarbonylContact C-O 3.39Å; L170-W192 VanDerWaalsContact C-O 3.23Å; L170-W192 VanDerWaalsContact CA-O 3.28Å; L170-W192 WeakPolarHBondContact CA-O 3.46Å; L170-W192 WeakPolarHBondContact CB-O 3.38Å; L170-W192 PolarHBondContact N-O 3.38Å; F171-W192 HydrophobicContact CB-CB 4.23Å; F171-W192 PolarHBondContact N-O 2.84Å; F171-W192 VanDerWaalsContact N-O 3.17Å; C190-W192 PolarHBondContact SG-NE1 3.17Å; C190-W192 VanDerWaalsContact SG-NE1 3.42Å; W192-T222 WeakPolarHBondContact CA-OG1 3.34Å; W192-T222 HydrophobicContact CG-CG2 4.31Å
193	L	98.1	Very high	97.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.233	C	C	.	.			trans	-120.1	5.1	-178.7	-60.8	168	0	0	0	112.2	L170 L175 L178 L191 N196 L198 T222 V223 N226	L170-L193 HydrophobicContact CB-CD2 4.26Å; L170-L193 HydrophobicContact CD1-CD2 4.02Å; L175-L193 HydrophobicContact CD1-CD2 4.4Å; L178-L193 HydrophobicContact CD1-CD1 3.72Å; L178-L193 HydrophobicContact CD2-CD2 3.85Å; L191-L193 HydrophobicContact CD1-CD1 4.39Å; L191-L193 HydrophobicContact CD1-CD2 4Å; L191-L193 HydrophobicContact CD1-CG 4.05Å; L191-L193 HydrophobicContact CD2-CD1 3.93Å; L191-L193 HydrophobicContact CD2-CG 4.45Å; L191-L193 HydrophobicContact CG-CD1 3.93Å; L191-L193 HydrophobicContact CG-CD2 4.41Å; L191-L193 HydrophobicContact CG-CG 3.91Å; L193-N196 PolarHBondContact O-ND2 2.58Å; L193-L198 HydrophobicContact CB-CD1 4.01Å; L193-L198 HydrophobicContact CD1-CD1 4.27Å; L193-L198 HydrophobicContact CD2-CD1 4.46Å; L193-L198 HydrophobicContact CG-CD1 4.49Å; L193-T222 CarbonylContact C-O 3.57Å; L193-T222 VanDerWaalsContact C-O 3.29Å; L193-T222 VanDerWaalsContact CA-O 3.25Å; L193-T222 WeakPolarHBondContact CA-O 3.43Å; L193-T222 VanDerWaalsContact CB-O 3.26Å; L193-T222 WeakPolarHBondContact CB-O 3.38Å; L193-T222 PolarHBondContact N-O 2.82Å; L193-T222 PolarHBondContact N-OG1 2.82Å; L193-V223 HydrophobicContact CB-CG1 4.44Å; L193-V223 HydrophobicContact CD1-CG1 4.4Å; L193-N226 PolarHBondContact O-ND2 2.87Å
194	G	97.1	Very high	97.4	Very high	1 Å²	1	52 Å²	52	1%	0.01	24%	0.24	C	C	.	.			trans	-58	156.7	-178.2	0	0	0	0	0	113.5	F171 D172 N196 T222 G224	F171-G194 CarbonylContact C-O 3.4Å; F171-G194 WeakPolarHBondContact CA-O 3.25Å; D172-G194 PolarHBondContact N-O 2.95Å; G194-N196 VanDerWaalsContact C-N 3.34Å; G194-N196 PolarHBondContact O-N 3Å; G194-N196 PolarHBondContact O-ND2 3.14Å; G194-N196 VanDerWaalsContact O-ND2 3.09Å; G194-T222 PolarHBondContact N-O 3.09Å; G194-T222 VanDerWaalsContact N-O 3.09Å; G194-T222 PolarHBondContact N-OG1 2.89Å; G194-G224 CarbonylContact C-O 3.6Å; G194-G224 WeakPolarHBondContact CA-O 3.16Å
195	D	98.2	Very high	97.3	Very high	72 Å²	72	46.5 Å²	46.5	39%	0.385	22%	0.215	S	C	.	.	S	Bend	trans	52.2	45.3	178.3	-68	-26	0	0	0	114.2	F171 D172 N173 G224 G225	F171-D195 HydrophobicContact CE2-CB 4.19Å; F171-D195 HydrophobicContact CZ-CB 4.09Å; F171-D195 WeakPolarHBondContact CZ-OD2 3.13Å; D172-D195 WeakPolarHBondContact CA-O 3.4Å; D172-D195 HydrophobicContact CB-CB 4.38Å; N173-D195 PolarHBondContact N-O 2.93Å; D195-G224 PolarHBondContact N-O 3Å; D195-G225 VanDerWaalsContact OD1-CA 3.29Å; D195-G225 WeakPolarHBondContact OD1-CA 3.39Å
196	N	98.7	Very high	97.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-108.6	-152.2	174.1	-87.3	-81.3	0	0	0	111.5	L170 N173 R174 L175 L193 G194 L198 N226	L170-N196 PolarHBondContact O-ND2 3.08Å; N173-N196 VanDerWaalsContact CA-OD1 3.29Å; N173-N196 WeakPolarHBondContact CA-OD1 2.97Å; N173-N196 WeakPolarHBondContact CB-OD1 3.46Å; N173-N196 PolarHBondContact N-OD1 2.85Å; N173-N196 PolarHBondContact O-OD1 3.42Å; R174-N196 PolarHBondContact N-OD1 2.71Å; L175-N196 HydrophobicContact CB-CB 4.19Å; L175-N196 VanDerWaalsContact CB-OD1 3.25Å; L175-N196 WeakPolarHBondContact CB-OD1 3.16Å; L175-N196 VanDerWaalsContact CG-OD1 3.31Å; L175-N196 WeakPolarHBondContact CG-OD1 3.48Å; L175-N196 PolarHBondContact N-OD1 3.15Å; L193-N196 PolarHBondContact O-ND2 2.58Å; G194-N196 VanDerWaalsContact C-N 3.34Å; G194-N196 PolarHBondContact O-N 3Å; G194-N196 PolarHBondContact O-ND2 3.14Å; G194-N196 VanDerWaalsContact O-ND2 3.09Å; N196-L198 HydrophobicContact CB-CG 4.24Å; N196-N226 WeakPolarHBondContact CA-OD1 3.4Å; N196-N226 WeakPolarHBondContact CB-OD1 3.46Å; N196-N226 PolarHBondContact N-OD1 2.98Å
197	K	98.5	Very high	97.3	Very high	109 Å²	109	42.6 Å²	42.6	47%	0.474	20%	0.203	S	C	.	.			trans	-128	22.5	177.6	-54.6	-69.1	159.8	-106.8	0	111.4	L175 I176 E199 N226	L175-K197 CarbonylContact O-C 3.29Å; L175-K197 VanDerWaalsContact O-CA 3.22Å; L175-K197 WeakPolarHBondContact O-CA 3.36Å; L175-K197 WeakPolarHBondContact O-CB 3.5Å; L175-K197 PolarHBondContact O-N 3.22Å; I176-K197 HydrophobicContact CG1-CB 4.35Å; K197-E199 PolarHBondContact O-N 3.1Å; K197-N226 PolarHBondContact N-OD1 3.17Å
198	L	98.5	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.			trans	-67.3	116.3	-177.2	-60.3	170.6	0	0	0	110	L175 L178 L193 N196 L201 N226 P227 L228	L175-L198 HydrophobicContact CB-CD2 4.04Å; L175-L198 HydrophobicContact CB-CG 4.47Å; L175-L198 PolarHBondContact O-N 3.05Å; L175-L198 VanDerWaalsContact O-N 3.07Å; L178-L198 HydrophobicContact CD2-CD2 4.38Å; L178-L198 HydrophobicContact CG-CD1 4.49Å; L178-L198 HydrophobicContact CG-CD2 4.17Å; L193-L198 HydrophobicContact CB-CD1 4.01Å; L193-L198 HydrophobicContact CD1-CD1 4.27Å; L193-L198 HydrophobicContact CD2-CD1 4.46Å; L193-L198 HydrophobicContact CG-CD1 4.49Å; N196-L198 HydrophobicContact CB-CG 4.24Å; L198-L201 HydrophobicContact CD1-CD2 4.16Å; L198-N226 HydrophobicContact CB-CB 4.15Å; L198-N226 WeakPolarHBondContact CB-OD1 3.42Å; L198-N226 WeakPolarHBondContact CG-OD1 3.35Å; L198-N226 PolarHBondContact N-OD1 3.23Å; L198-P227 CarbonylContact O-C 3.42Å; L198-P227 WeakPolarHBondContact O-CD 3.32Å; L198-L228 HydrophobicContact CB-CD2 4.05Å; L198-L228 WeakPolarHBondContact O-CD2 3.48Å; L198-L228 PolarHBondContact O-N 2.93Å
199	E	98.1	Very high	97	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	20%	0.202	S	C	.	.	S	Bend	trans	-89.5	-22.2	171.1	-69.9	-168.2	-156.5	0	0	112.3	K197 P227 R229 D230	K197-E199 PolarHBondContact O-N 3.1Å; E199-P227 HydrophobicContact CG-CB 4.5Å; E199-P227 HydrophobicContact CG-CG 3.94Å; E199-R229 PolarHBondContact O-N 3.35Å; E199-R229 IonicContact OE2-NH1 2.61Å; E199-D230 PolarHBondContact O-N 2.95Å
200	S	97.7	Very high	96.8	Very high	51 Å²	51	38.2 Å²	38.2	36%	0.357	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-142.9	163.3	177.4	57.6	0	0	0	0	112.5	D230	S200-D230 CarbonylContact C-O 3.43Å; S200-D230 WeakPolarHBondContact CA-O 3Å; S200-D230 WeakPolarHBondContact CB-O 3.43Å
201	L	97.6	Very high	96.6	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.188	C	C	.	.			trans	-117.3	138.9	166.9	-57.5	175.4	0	0	0	108.8	L178 L198 I205 W213 V223 L228 D230 F247	L178-L201 HydrophobicContact CD1-CD2 3.96Å; L198-L201 HydrophobicContact CD1-CD2 4.16Å; L201-I205 HydrophobicContact CB-CG2 4.21Å; L201-W213 HydrophobicContact CD1-CH2 3.96Å; L201-W213 HydrophobicContact CD1-CZ3 4Å; L201-V223 HydrophobicContact CD1-CG1 4.41Å; L201-L228 HydrophobicContact CD1-CD1 4.4Å; L201-L228 HydrophobicContact CD2-CD2 4.14Å; L201-L228 HydrophobicContact CG-CD2 3.89Å; L201-D230 PolarHBondContact N-O 3.4Å; L201-F247 WeakPolarHBondContact O-CZ 3.43Å
202	P	97	Very high	96.3	Very high	10 Å²	10	41 Å²	41	7%	0.065	21%	0.206	C	C	.	.			trans	-65.9	150.2	177.1	29.8	-36.2	0	0	0	110.4	L178 E180 I182 S204 I205	L178-P202 HydrophobicContact CB-CG 4.05Å; E180-P202 WeakPolarHBondContact OE2-CB 3.25Å; I182-P202 HydrophobicContact CG2-CG 3.54Å; P202-S204 PolarHBondContact O-N 3.4Å; P202-S204 VanDerWaalsContact O-N 3.14Å; P202-I205 VanDerWaalsContact O-CB 3.23Å; P202-I205 WeakPolarHBondContact O-CB 2.98Å; P202-I205 WeakPolarHBondContact O-CG2 3.22Å; P202-I205 PolarHBondContact O-N 3.39Å
203	Q	96.1	Very high	96	Very high	111 Å²	111	36.7 Å²	36.7	52%	0.519	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-55.8	-34.5	179.5	174.7	175.6	-12.2	0	0	112.2	I205 V206 F247 V249	Q203-I205 PolarHBondContact O-N 2.93Å; Q203-V206 WeakPolarHBondContact O-CG2 3.41Å; Q203-V206 PolarHBondContact O-N 3Å; Q203-F247 HydrophobicContact CB-CD1 4.03Å; Q203-F247 HydrophobicContact CB-CE1 4.31Å; Q203-F247 HydrophobicContact CB-CG 4.4Å; Q203-F247 HydrophobicContact CG-CB 4.07Å; Q203-F247 HydrophobicContact CG-CD1 4.2Å; Q203-F247 HydrophobicContact CG-CG 4.16Å; Q203-V249 HydrophobicContact CG-CG2 4.42Å
204	S	96	Very high	95.4	Very high	24 Å²	24	37.7 Å²	37.7	17%	0.168	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.5	-12.1	179.2	69.7	0	0	0	0	113.8	E180 G183 P202 V206 E207	E180-S204 WeakPolarHBondContact O-CB 3.22Å; E180-S204 PolarHBondContact O-OG 3.09Å; G183-S204 WeakPolarHBondContact CA-O 3.08Å; G183-S204 PolarHBondContact N-OG 2.87Å; P202-S204 PolarHBondContact O-N 3.4Å; P202-S204 VanDerWaalsContact O-N 3.14Å; S204-V206 PolarHBondContact O-N 3.31Å; S204-V206 VanDerWaalsContact O-N 3.1Å; S204-E207 WeakPolarHBondContact O-CB 3.02Å; S204-E207 WeakPolarHBondContact O-CG 3.26Å; S204-E207 PolarHBondContact O-N 3.17Å
205	I	95.9	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.1	176.6	-155.6	69.1	0	0	0	112.8	L178 I182 L191 L201 P202 Q203 E207 L208 W213 F247	L178-I205 HydrophobicContact CD1-CD1 4.03Å; I182-I205 HydrophobicContact CG2-CD1 3.87Å; L191-I205 HydrophobicContact CD2-CD1 4.07Å; L201-I205 HydrophobicContact CB-CG2 4.21Å; P202-I205 VanDerWaalsContact O-CB 3.23Å; P202-I205 WeakPolarHBondContact O-CB 2.98Å; P202-I205 WeakPolarHBondContact O-CG2 3.22Å; P202-I205 PolarHBondContact O-N 3.39Å; Q203-I205 PolarHBondContact O-N 2.93Å; I205-E207 PolarHBondContact O-N 3.27Å; I205-L208 HydrophobicContact CD1-CD1 3.82Å; I205-L208 WeakPolarHBondContact O-CB 3.25Å; I205-L208 PolarHBondContact O-N 3.47Å; I205-W213 HydrophobicContact CG1-CH2 3.62Å; I205-W213 HydrophobicContact CG1-CZ2 3.71Å; I205-F247 HydrophobicContact CG2-CE2 3.93Å
206	V	94.4	Very high	93.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-74	-14.5	176.6	-50.9	0	0	0	0	113.4	Q203 S204 L208 R209 L240 L243 F247 V249	Q203-V206 WeakPolarHBondContact O-CG2 3.41Å; Q203-V206 PolarHBondContact O-N 3Å; S204-V206 PolarHBondContact O-N 3.31Å; S204-V206 VanDerWaalsContact O-N 3.1Å; V206-L208 PolarHBondContact O-N 2.93Å; V206-R209 WeakPolarHBondContact O-CD 3.5Å; V206-R209 VanDerWaalsContact O-CZ 3.3Å; V206-R209 PolarHBondContact O-NE 3.37Å; V206-R209 VanDerWaalsContact O-NE 3.14Å; V206-L240 HydrophobicContact CB-CD1 4.19Å; V206-L243 HydrophobicContact CG1-CB 3.86Å; V206-F247 HydrophobicContact CG1-CD2 3.58Å; V206-F247 HydrophobicContact CG1-CE2 4.12Å; V206-V249 HydrophobicContact CG2-CB 4.4Å; V206-V249 HydrophobicContact CG2-CG1 4.33Å; V206-V249 HydrophobicContact CG2-CG2 3.96Å
207	E	95.2	Very high	92.7	Very high	62 Å²	62	50.8 Å²	50.8	29%	0.29	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-73.4	-15.7	175.1	-63.1	-61.9	135.6	0	0	112.4	R186 S204 I205 R209	R186-E207 IonicContact CZ-OE2 3.84Å; R186-E207 VanDerWaalsContact CZ-OE2 3.23Å; R186-E207 PolarHBondContact NH1-O 2.89Å; R186-E207 IonicContact NH1-OE2 3.78Å; R186-E207 PolarHBondContact NH1-OE2 3.25Å; R186-E207 IonicContact NH2-OE2 2.75Å; R186-E207 PolarHBondContact NH2-OE2 3.43Å; S204-E207 WeakPolarHBondContact O-CB 3.02Å; S204-E207 WeakPolarHBondContact O-CG 3.26Å; S204-E207 PolarHBondContact O-N 3.17Å; I205-E207 PolarHBondContact O-N 3.27Å; E207-R209 PolarHBondContact O-N 3.14Å
208	L	95.3	Very high	91.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.283	C	S	.	.			trans	-79.4	65.3	176	-56.2	-174.7	0	0	0	111.3	L185 I188 L191 I205 V206 G210 L211	L185-L208 HydrophobicContact CB-CD2 4.24Å; L185-L208 WeakPolarHBondContact O-CD2 3.04Å; I188-L208 HydrophobicContact CB-CD2 4.45Å; I188-L208 HydrophobicContact CG2-CD1 4.45Å; L191-L208 HydrophobicContact CD2-CD1 3.76Å; I205-L208 HydrophobicContact CD1-CD1 3.82Å; I205-L208 WeakPolarHBondContact O-CB 3.25Å; I205-L208 PolarHBondContact O-N 3.47Å; V206-L208 PolarHBondContact O-N 2.93Å; L208-G210 PolarHBondContact O-N 3.21Å; L208-G210 VanDerWaalsContact O-N 3.09Å; L208-L211 HydrophobicContact CB-CD1 3.66Å; L208-L211 HydrophobicContact CB-CG 4.04Å; L208-L211 HydrophobicContact CD1-CD1 3.73Å; L208-L211 HydrophobicContact CG-CD1 4.37Å; L208-L211 PolarHBondContact O-N 2.9Å; L208-L211 VanDerWaalsContact O-N 3.17Å
209	R	93.2	Very high	91.1	Very high	96 Å²	96	53.2 Å²	53.2	36%	0.362	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.7	-174.2	-58.7	-58.8	-177.8	174.7	-18.6	114.7	V206 E207 L211 D244	V206-R209 WeakPolarHBondContact O-CD 3.5Å; V206-R209 VanDerWaalsContact O-CZ 3.3Å; V206-R209 PolarHBondContact O-NE 3.37Å; V206-R209 VanDerWaalsContact O-NE 3.14Å; E207-R209 PolarHBondContact O-N 3.14Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-D244 IonicContact CZ-OD1 3.94Å; R209-D244 IonicContact CZ-OD2 2.7Å; R209-D244 IonicContact NH1-OD1 3.91Å; R209-D244 PolarHBondContact NH1-OD1 3.47Å; R209-D244 IonicContact NH1-OD2 3.48Å; R209-D244 PolarHBondContact NH1-OD2 3.26Å; R209-D244 IonicContact NH2-OD1 3.12Å; R209-D244 PolarHBondContact NH2-OD1 3.07Å; R209-D244 IonicContact NH2-OD2 3.59Å
210	G	93.2	Very high	90.8	Very high	39 Å²	39	49.8 Å²	49.8	40%	0.402	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.4	176.9	0	0	0	0	0	115	L208	L208-G210 PolarHBondContact O-N 3.21Å; L208-G210 VanDerWaalsContact O-N 3.09Å
211	L	94.1	Very high	90.6	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	27%	0.27	C	S	.	.			trans	-88.7	135.2	-175.7	-66.7	-179.6	0	0	0	113.2	I188 L191 L208 R209 W213 T221	I188-L211 HydrophobicContact CG2-CD1 4.36Å; I188-L211 HydrophobicContact CG2-CD2 3.75Å; I188-L211 HydrophobicContact CG2-CG 4.2Å; L191-L211 HydrophobicContact CB-CD1 3.9Å; L191-L211 HydrophobicContact CB-CD2 3.85Å; L191-L211 HydrophobicContact CD2-CD1 3.91Å; L208-L211 HydrophobicContact CB-CD1 3.66Å; L208-L211 HydrophobicContact CB-CG 4.04Å; L208-L211 HydrophobicContact CD1-CD1 3.73Å; L208-L211 HydrophobicContact CG-CD1 4.37Å; L208-L211 PolarHBondContact O-N 2.9Å; L208-L211 VanDerWaalsContact O-N 3.17Å; R209-L211 VanDerWaalsContact C-N 3.31Å; L211-W213 HydrophobicContact CD1-CZ2 4.31Å; L211-T221 HydrophobicContact CB-CG2 4.25Å
212	I	92.1	Very high	90.3	Very high	76 Å²	76	49.4 Å²	49.4	39%	0.39	28%	0.281	S	S	.	.			trans	-100.9	106.5	171	-55.7	174	0	0	0	108.8	L217 P219 S220 T221	I212-L217 HydrophobicContact CG2-CB 3.6Å; I212-L217 HydrophobicContact CG2-CD1 4.44Å; I212-L217 WeakPolarHBondContact CG2-O 3.23Å; I212-P219 CarbonylContact O-C 3.54Å; I212-P219 WeakPolarHBondContact O-CA 3.19Å; I212-S220 PolarHBondContact N-OG 2.79Å; I212-S220 PolarHBondContact O-N 2.81Å; I212-T221 PolarHBondContact O-N 3.29Å
213	W	90.4	Very high	90.2	Very high	12 Å²	12	49.3 Å²	49.3	5%	0.045	28%	0.28	C	S	.	.			trans	-84.7	-26.4	-175.9	-67.2	77.6	0	0	0	114.4	L201 I205 L211 T221 V223 C236 L243	L201-W213 HydrophobicContact CD1-CH2 3.96Å; L201-W213 HydrophobicContact CD1-CZ3 4Å; I205-W213 HydrophobicContact CG1-CH2 3.62Å; I205-W213 HydrophobicContact CG1-CZ2 3.71Å; L211-W213 HydrophobicContact CD1-CZ2 4.31Å; W213-T221 HydrophobicContact CB-CG2 4.05Å; W213-T221 HydrophobicContact CD2-CG2 3.48Å; W213-T221 VanDerWaalsContact CD2-CG2 3.48Å; W213-T221 HydrophobicContact CE3-CG2 3.76Å; W213-T221 HydrophobicContact CG-CG2 3.62Å; W213-T221 HydrophobicContact CZ2-CG2 4.47Å; W213-T221 HydrophobicContact CZ3-CG2 4.38Å; W213-V223 HydrophobicContact CZ3-CG1 3.99Å; W213-C236 WeakPolarHBondContact CB-O 3.33Å; W213-C236 HydrophobicContact CE3-CB 3.99Å; W213-C236 HydrophobicContact CZ3-CB 4.02Å; W213-L243 HydrophobicContact CD2-CD1 3.47Å; W213-L243 VanDerWaalsContact CD2-CD1 3.47Å; W213-L243 VanDerWaalsContact CE2-CD1 3.49Å; W213-L243 HydrophobicContact CE3-CD1 3.65Å; W213-L243 HydrophobicContact CG-CD1 4.11Å; W213-L243 HydrophobicContact CH2-CD1 3.86Å; W213-L243 HydrophobicContact CZ2-CD1 3.7Å; W213-L243 HydrophobicContact CZ3-CD1 3.83Å
214	S	86	Confident	90.1	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	27%	0.273	C	S	.	.			trans	-70.6	125.8	-175.4	179.3	0	0	0	0	110.5	L216 L217	S214-L216 PolarHBondContact O-N 2.99Å; S214-L216 VanDerWaalsContact O-N 3.07Å; S214-L216 PolarHBondContact OG-N 3.33Å; S214-L217 PolarHBondContact O-N 3.09Å; S214-L217 VanDerWaalsContact O-N 3.11Å
215	P	80.8	Confident	90.1	Very high	83 Å²	83	46.9 Å²	46.9	54%	0.539	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.7	176.2	27.6	-34.3	0	0	0	112.7	L217 S237	P215-L217 VanDerWaalsContact C-N 3.34Å; P215-S237 WeakPolarHBondContact CD-O 3.47Å
216	L	81.8	Confident	90.2	Very high	154 Å²	154	47.6 Å²	47.6	81%	0.806	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.3	178.5	-57.1	176.1	0	0	0	113.2	S214	S214-L216 PolarHBondContact O-N 2.99Å; S214-L216 VanDerWaalsContact O-N 3.07Å; S214-L216 PolarHBondContact OG-N 3.33Å
217	L	75.4	Confident	90.3	Very high	111 Å²	111	50.5 Å²	50.5	58%	0.581	31%	0.311	S	S	*	.	S	Bend	trans	-123.6	45.6	-168.4	-65.6	-180	0	0	0	113.6	I212 S214 P215	I212-L217 HydrophobicContact CG2-CB 3.6Å; I212-L217 HydrophobicContact CG2-CD1 4.44Å; I212-L217 WeakPolarHBondContact CG2-O 3.23Å; S214-L217 PolarHBondContact O-N 3.09Å; S214-L217 VanDerWaalsContact O-N 3.11Å; P215-L217 VanDerWaalsContact C-N 3.34Å
218	S	80.9	Confident	90.4	Very high	109 Å²	109	48.3 Å²	48.3	76%	0.762	30%	0.301	S	S	*	.			trans	45.9	67.5	-174.3	-61.1	0	0	0	0	110.9	S220	S218-S220 PolarHBondContact O-N 2.84Å
219	P	82.2	Confident	90.5	Very high	51 Å²	51	56.7 Å²	56.7	33%	0.331	33%	0.333	S	S	.	.			trans	-56.9	130.4	-167	25	-35.8	0	0	0	110.7	I212	I212-P219 CarbonylContact O-C 3.54Å; I212-P219 WeakPolarHBondContact O-CA 3.19Å
220	S	92.4	Very high	90.6	Very high	20 Å²	20	55.8 Å²	55.8	14%	0.14	34%	0.335	C	S	.	.	S	Bend	trans	-94	-5	173.4	76.3	0	0	0	0	112.2	R189 C190 L191 I212 S218	R189-S220 WeakPolarHBondContact O-CB 3.4Å; R189-S220 PolarHBondContact O-OG 3.39Å; C190-S220 CarbonylContact C-O 3.05Å; C190-S220 VanDerWaalsContact CA-O 3.25Å; C190-S220 WeakPolarHBondContact CA-O 3.28Å; L191-S220 PolarHBondContact N-O 2.98Å; I212-S220 PolarHBondContact N-OG 2.79Å; I212-S220 PolarHBondContact O-N 2.81Å; S218-S220 PolarHBondContact O-N 2.84Å
221	T	92.2	Very high	90.7	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146	167.9	178.7	0	0	0	0	112.1	L191 L211 I212 W213	L191-T221 WeakPolarHBondContact O-CA 3.39Å; L191-T221 WeakPolarHBondContact O-CB 3.48Å; L191-T221 PolarHBondContact O-OG1 2.86Å; L191-T221 VanDerWaalsContact O-OG1 3.05Å; L211-T221 HydrophobicContact CB-CG2 4.25Å; I212-T221 PolarHBondContact O-N 3.29Å; W213-T221 HydrophobicContact CB-CG2 4.05Å; W213-T221 HydrophobicContact CD2-CG2 3.48Å; W213-T221 VanDerWaalsContact CD2-CG2 3.48Å; W213-T221 HydrophobicContact CE3-CG2 3.76Å; W213-T221 HydrophobicContact CG-CG2 3.62Å; W213-T221 HydrophobicContact CZ2-CG2 4.47Å; W213-T221 HydrophobicContact CZ3-CG2 4.38Å
222	T	91.9	Very high	90.8	Very high	41 Å²	41	56 Å²	56	25%	0.252	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.9	176	64.5	0	0	0	0	109.6	L191 W192 L193 G194	L191-T222 PolarHBondContact O-N 3.04Å; W192-T222 WeakPolarHBondContact CA-OG1 3.34Å; W192-T222 HydrophobicContact CG-CG2 4.31Å; L193-T222 CarbonylContact C-O 3.57Å; L193-T222 VanDerWaalsContact C-O 3.29Å; L193-T222 VanDerWaalsContact CA-O 3.25Å; L193-T222 WeakPolarHBondContact CA-O 3.43Å; L193-T222 VanDerWaalsContact CB-O 3.26Å; L193-T222 WeakPolarHBondContact CB-O 3.38Å; L193-T222 PolarHBondContact N-O 2.82Å; L193-T222 PolarHBondContact N-OG1 2.82Å; G194-T222 PolarHBondContact N-O 3.09Å; G194-T222 VanDerWaalsContact N-O 3.09Å; G194-T222 PolarHBondContact N-OG1 2.89Å
223	V	94.5	Very high	90.9	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	33%	0.327	C	S	.	.			trans	-129	0.8	174.8	-64.4	0	0	0	0	113	L193 L201 W213 N226 L228 I233 C236	L193-V223 HydrophobicContact CB-CG1 4.44Å; L193-V223 HydrophobicContact CD1-CG1 4.4Å; L201-V223 HydrophobicContact CD1-CG1 4.41Å; W213-V223 HydrophobicContact CZ3-CG1 3.99Å; V223-N226 WeakPolarHBondContact O-CB 3.32Å; V223-N226 PolarHBondContact O-N 3.27Å; V223-N226 PolarHBondContact O-ND2 3.31Å; V223-L228 HydrophobicContact CB-CD1 3.75Å; V223-L228 HydrophobicContact CG1-CD1 4.41Å; V223-L228 HydrophobicContact CG2-CD1 4Å; V223-I233 HydrophobicContact CG2-CG1 4.29Å; V223-C236 HydrophobicContact CG2-CB 3.87Å
224	G	94.4	Very high	91	Very high	35 Å²	35	63.5 Å²	63.5	36%	0.361	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	149.3	176.5	0	0	0	0	0	112.4	G194 D195 N226	G194-G224 CarbonylContact C-O 3.6Å; G194-G224 WeakPolarHBondContact CA-O 3.16Å; D195-G224 PolarHBondContact N-O 3Å; G224-N226 VanDerWaalsContact C-N 3.26Å; G224-N226 PolarHBondContact O-N 3.28Å
225	G	95.5	Very high	91.4	Very high	48 Å²	48	63.6 Å²	63.6	50%	0.495	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-2.5	-176.9	0	0	0	0	0	115.3	D195	D195-G225 VanDerWaalsContact OD1-CA 3.29Å; D195-G225 WeakPolarHBondContact OD1-CA 3.39Å
226	N	98	Very high	92	Very high	16 Å²	16	59.7 Å²	59.7	9%	0.086	34%	0.336	C	S	.	.	S	Bend	trans	-92.4	146.6	170.9	-72.2	-78.6	0	0	0	112.3	L193 N196 K197 L198 V223 G224 L228	L193-N226 PolarHBondContact O-ND2 2.87Å; N196-N226 WeakPolarHBondContact CA-OD1 3.4Å; N196-N226 WeakPolarHBondContact CB-OD1 3.46Å; N196-N226 PolarHBondContact N-OD1 2.98Å; K197-N226 PolarHBondContact N-OD1 3.17Å; L198-N226 HydrophobicContact CB-CB 4.15Å; L198-N226 WeakPolarHBondContact CB-OD1 3.42Å; L198-N226 WeakPolarHBondContact CG-OD1 3.35Å; L198-N226 PolarHBondContact N-OD1 3.23Å; V223-N226 WeakPolarHBondContact O-CB 3.32Å; V223-N226 PolarHBondContact O-N 3.27Å; V223-N226 PolarHBondContact O-ND2 3.31Å; G224-N226 VanDerWaalsContact C-N 3.26Å; G224-N226 PolarHBondContact O-N 3.28Å; N226-L228 HydrophobicContact CB-CD1 4.32Å; N226-L228 HydrophobicContact CB-CG 3.85Å; N226-L228 PolarHBondContact O-N 2.76Å
227	P	97.3	Very high	92.4	Very high	61 Å²	61	54.4 Å²	54.4	40%	0.396	31%	0.313	S	S	.	.			trans	-76.7	42.8	172.6	35.3	-37.5	0	0	0	113.1	L198 E199 R229	L198-P227 CarbonylContact O-C 3.42Å; L198-P227 WeakPolarHBondContact O-CD 3.32Å; E199-P227 HydrophobicContact CG-CB 4.5Å; E199-P227 HydrophobicContact CG-CG 3.94Å; P227-R229 PolarHBondContact O-N 3.3Å
228	L	97.3	Very high	93.2	Very high	16 Å²	16	52 Å²	52	8%	0.084	31%	0.309	C	S	.	.			trans	-61.5	124.5	-173.6	-79.5	174.7	0	0	0	113	L198 L201 V223 N226	L198-L228 HydrophobicContact CB-CD2 4.05Å; L198-L228 WeakPolarHBondContact O-CD2 3.48Å; L198-L228 PolarHBondContact O-N 2.93Å; L201-L228 HydrophobicContact CD1-CD1 4.4Å; L201-L228 HydrophobicContact CD2-CD2 4.14Å; L201-L228 HydrophobicContact CG-CD2 3.89Å; V223-L228 HydrophobicContact CB-CD1 3.75Å; V223-L228 HydrophobicContact CG1-CD1 4.41Å; V223-L228 HydrophobicContact CG2-CD1 4Å; N226-L228 HydrophobicContact CB-CD1 4.32Å; N226-L228 HydrophobicContact CB-CG 3.85Å; N226-L228 PolarHBondContact O-N 2.76Å
229	R	96.3	Very high	93.7	Very high	178 Å²	178	47.4 Å²	47.4	67%	0.672	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-113.9	-27.9	174.8	-62.5	178.1	-176.5	170.6	4	112.5	E199 P227 P232	E199-R229 PolarHBondContact O-N 3.35Å; E199-R229 IonicContact OE2-NH1 2.61Å; P227-R229 PolarHBondContact O-N 3.3Å; R229-P232 VanDerWaalsContact O-CD 3.3Å; R229-P232 WeakPolarHBondContact O-CD 3.18Å; R229-P232 WeakPolarHBondContact O-CG 3.29Å
230	D	96.3	Very high	94.1	Very high	77 Å²	77	46.5 Å²	46.5	41%	0.412	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-142.5	90.4	-172.1	-174.7	9	0	0	0	111.6	E199 S200 L201 Y246	E199-D230 PolarHBondContact O-N 2.95Å; S200-D230 CarbonylContact C-O 3.43Å; S200-D230 WeakPolarHBondContact CA-O 3Å; S200-D230 WeakPolarHBondContact CB-O 3.43Å; L201-D230 PolarHBondContact N-O 3.4Å; D230-Y246 VanDerWaalsContact OD1-CE1 3.24Å; D230-Y246 WeakPolarHBondContact OD1-CE1 3.34Å; D230-Y246 PolarHBondContact OD1-OH 3.42Å
231	P	96	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-76.3	154.1	-1.3	3.3	10.7	0	0	0	111.9	V235 L243 Y246 F247	P231-V235 HydrophobicContact CB-CB 3.95Å; P231-V235 HydrophobicContact CB-CG1 3.84Å; P231-L243 HydrophobicContact CB-CD2 4.08Å; P231-L243 HydrophobicContact CG-CD2 3.44Å; P231-L243 VanDerWaalsContact CG-CD2 3.44Å; P231-Y246 HydrophobicContact CB-CD1 3.71Å; P231-Y246 HydrophobicContact CB-CD2 4.47Å; P231-Y246 HydrophobicContact CB-CE1 3.62Å; P231-Y246 HydrophobicContact CB-CE2 4.4Å; P231-Y246 HydrophobicContact CB-CG 4.14Å; P231-Y246 HydrophobicContact CG-CD1 4.07Å; P231-Y246 HydrophobicContact CG-CE1 4.13Å; P231-F247 HydrophobicContact CG-CE2 3.78Å; P231-F247 HydrophobicContact CG-CZ 3.69Å
232	P	95.3	Very high	94.2	Very high	51 Å²	51	54.5 Å²	54.5	33%	0.331	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-57	146.3	168	-22.5	32.5	0	0	0	111.5	R229 K234 V235 C236	R229-P232 VanDerWaalsContact O-CD 3.3Å; R229-P232 WeakPolarHBondContact O-CD 3.18Å; R229-P232 WeakPolarHBondContact O-CG 3.29Å; P232-K234 PolarHBondContact O-N 3.46Å; P232-V235 HydrophobicContact CB-CG2 4.43Å; P232-V235 HydrophobicContact CG-CG2 4.38Å; P232-V235 WeakPolarHBondContact O-CB 3.24Å; P232-V235 PolarHBondContact O-N 3.31Å; P232-C236 PolarHBondContact O-N 2.81Å
233	I	93.5	Very high	94.3	Very high	65 Å²	65	52.6 Å²	52.6	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-52.9	-31.8	-178.8	-167	167.4	0	0	0	114	V223 V235 C236 S237	V223-I233 HydrophobicContact CG2-CG1 4.29Å; I233-V235 VanDerWaalsContact C-N 3.33Å; I233-V235 PolarHBondContact O-N 3.03Å; I233-C236 WeakPolarHBondContact O-CB 3.42Å; I233-C236 PolarHBondContact O-N 3.1Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.33Å; I233-S237 PolarHBondContact O-OG 3.44Å; I233-S237 VanDerWaalsContact O-OG 3.1Å
234	K	93.1	Very high	94.2	Very high	181 Å²	181	52.2 Å²	52.2	79%	0.787	29%	0.291	S	S	*	.	H	α-helix	trans	-64.8	-36	177.4	-67.7	-177.4	-179.9	178.9	0	112.7	P232 A238	P232-K234 PolarHBondContact O-N 3.46Å; K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 2.97Å
235	V	94.7	Very high	94.2	Very high	23 Å²	23	56.6 Å²	56.6	14%	0.139	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-46.6	175.1	174.6	0	0	0	0	109.1	P231 P232 I233 S237 A238 E242 L243 Y246	P231-V235 HydrophobicContact CB-CB 3.95Å; P231-V235 HydrophobicContact CB-CG1 3.84Å; P232-V235 HydrophobicContact CB-CG2 4.43Å; P232-V235 HydrophobicContact CG-CG2 4.38Å; P232-V235 WeakPolarHBondContact O-CB 3.24Å; P232-V235 PolarHBondContact O-N 3.31Å; I233-V235 VanDerWaalsContact C-N 3.33Å; I233-V235 PolarHBondContact O-N 3.03Å; V235-S237 PolarHBondContact O-N 3.44Å; V235-A238 WeakPolarHBondContact O-CB 3.37Å; V235-A238 PolarHBondContact O-N 3.46Å; V235-E242 HydrophobicContact CG1-CG 3.97Å; V235-L243 HydrophobicContact CG1-CD2 4.05Å; V235-Y246 HydrophobicContact CG1-CD2 3.94Å; V235-Y246 HydrophobicContact CG1-CG 3.81Å; V235-Y246 HydrophobicContact CG2-CD2 4.03Å; V235-Y246 HydrophobicContact CG2-CE2 4.45Å
236	C	92.9	Very high	94.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-52	176.7	-57.7	0	0	0	0	111.6	W213 V223 P232 I233 A238 G239	W213-C236 WeakPolarHBondContact CB-O 3.33Å; W213-C236 HydrophobicContact CE3-CB 3.99Å; W213-C236 HydrophobicContact CZ3-CB 4.02Å; V223-C236 HydrophobicContact CG2-CB 3.87Å; P232-C236 PolarHBondContact O-N 2.81Å; I233-C236 WeakPolarHBondContact O-CB 3.42Å; I233-C236 PolarHBondContact O-N 3.1Å; C236-A238 PolarHBondContact O-N 3.2Å; C236-G239 PolarHBondContact O-N 3.03Å
237	S	90.6	Very high	94.1	Very high	44 Å²	44	59.7 Å²	59.7	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-68.4	-14.1	-177.8	-60.1	0	0	0	0	114.3	P215 I233 V235 G239	P215-S237 WeakPolarHBondContact CD-O 3.47Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.33Å; I233-S237 PolarHBondContact O-OG 3.44Å; I233-S237 VanDerWaalsContact O-OG 3.1Å; V235-S237 PolarHBondContact O-N 3.44Å; S237-G239 VanDerWaalsContact C-N 3.29Å
238	A	92	Very high	93.8	Very high	60 Å²	60	60 Å²	60	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-76.4	-16.8	177.6	0	0	0	0	0	112.9	K234 V235 C236 E242	K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 2.97Å; V235-A238 WeakPolarHBondContact O-CB 3.37Å; V235-A238 PolarHBondContact O-N 3.46Å; C236-A238 PolarHBondContact O-N 3.2Å; A238-E242 HydrophobicContact CB-CB 3.67Å; A238-E242 HydrophobicContact CB-CG 3.73Å
239	G	91.4	Very high	93.1	Very high	12 Å²	12	60.7 Å²	60.7	12%	0.124	31%	0.313	C	S	.	.			trans	117.9	170.2	179	0	0	0	0	0	113.5	C236 S237 E241 E242 L243	C236-G239 PolarHBondContact O-N 3.03Å; S237-G239 VanDerWaalsContact C-N 3.29Å; G239-E241 VanDerWaalsContact C-N 3.34Å; G239-E241 PolarHBondContact O-N 3.41Å; G239-E242 PolarHBondContact O-N 3.26Å; G239-L243 PolarHBondContact O-N 3.19Å
240	L	91.2	Very high	92.1	Very high	32 Å²	32	60.5 Å²	60.5	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-38.9	-178.4	-176.8	62.3	0	0	0	113	V206 E242 L243 D244	V206-L240 HydrophobicContact CB-CD1 4.19Å; L240-E242 VanDerWaalsContact C-N 3.26Å; L240-E242 PolarHBondContact O-N 3.48Å; L240-L243 WeakPolarHBondContact O-CB 3.45Å; L240-L243 PolarHBondContact O-N 3.23Å; L240-L243 VanDerWaalsContact O-N 3.12Å; L240-D244 PolarHBondContact O-N 2.87Å
241	E	91.4	Very high	90.5	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	32%	0.32	S	S	*	.	H	α-helix	trans	-63.1	-31.5	178.2	-64.7	-178.7	-177.6	0	0	113.1	G239 R245	G239-E241 VanDerWaalsContact C-N 3.34Å; G239-E241 PolarHBondContact O-N 3.41Å; E241-R245 WeakPolarHBondContact O-CG 3.3Å; E241-R245 PolarHBondContact O-N 3.07Å; E241-R245 PolarHBondContact O-NE 3.12Å; E241-R245 IonicContact OE2-NH2 3.39Å
242	E	94.1	Very high	88.7	Confident	68 Å²	68	67.2 Å²	67.2	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-73.5	-38.1	175.4	-167.2	69.4	-138.2	0	0	110.6	V235 A238 G239 L240 R245 Y246	V235-E242 HydrophobicContact CG1-CG 3.97Å; A238-E242 HydrophobicContact CB-CB 3.67Å; A238-E242 HydrophobicContact CB-CG 3.73Å; G239-E242 PolarHBondContact O-N 3.26Å; L240-E242 VanDerWaalsContact C-N 3.26Å; L240-E242 PolarHBondContact O-N 3.48Å; E242-R245 PolarHBondContact O-N 3.36Å; E242-R245 IonicContact OE1-NH1 2.87Å; E242-R245 PolarHBondContact OE1-NH1 3.35Å; E242-R245 IonicContact OE2-CZ 2.73Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.11Å; E242-R245 IonicContact OE2-NH2 3.65Å; E242-Y246 WeakPolarHBondContact O-CB 3.5Å; E242-Y246 PolarHBondContact O-N 3.18Å
243	L	93.7	Very high	86.5	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.8	-44	173.3	-73.1	167.8	0	0	0	111.9	V206 W213 P231 V235 G239 L240 R245 Y246 F247	V206-L243 HydrophobicContact CG1-CB 3.86Å; W213-L243 HydrophobicContact CD2-CD1 3.47Å; W213-L243 VanDerWaalsContact CD2-CD1 3.47Å; W213-L243 VanDerWaalsContact CE2-CD1 3.49Å; W213-L243 HydrophobicContact CE3-CD1 3.65Å; W213-L243 HydrophobicContact CG-CD1 4.11Å; W213-L243 HydrophobicContact CH2-CD1 3.86Å; W213-L243 HydrophobicContact CZ2-CD1 3.7Å; W213-L243 HydrophobicContact CZ3-CD1 3.83Å; P231-L243 HydrophobicContact CB-CD2 4.08Å; P231-L243 HydrophobicContact CG-CD2 3.44Å; P231-L243 VanDerWaalsContact CG-CD2 3.44Å; V235-L243 HydrophobicContact CG1-CD2 4.05Å; G239-L243 PolarHBondContact O-N 3.19Å; L240-L243 WeakPolarHBondContact O-CB 3.45Å; L240-L243 PolarHBondContact O-N 3.23Å; L240-L243 VanDerWaalsContact O-N 3.12Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.22Å; L243-Y246 PolarHBondContact O-N 3.19Å; L243-F247 HydrophobicContact CD2-CE2 4.22Å; L243-F247 WeakPolarHBondContact O-CD2 3.47Å; L243-F247 PolarHBondContact O-N 3.39Å
244	D	94	Very high	86.2	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.011	40%	0.395	C	S	.	.	H	α-helix	trans	-55.6	-47.8	174.1	-77.1	-40.4	0	0	0	110.4	R209 L240 Y246 F247 G248 V249 I251	R209-D244 IonicContact CZ-OD1 3.94Å; R209-D244 IonicContact CZ-OD2 2.7Å; R209-D244 IonicContact NH1-OD1 3.91Å; R209-D244 PolarHBondContact NH1-OD1 3.47Å; R209-D244 IonicContact NH1-OD2 3.48Å; R209-D244 PolarHBondContact NH1-OD2 3.26Å; R209-D244 IonicContact NH2-OD1 3.12Å; R209-D244 PolarHBondContact NH2-OD1 3.07Å; R209-D244 IonicContact NH2-OD2 3.59Å; L240-D244 PolarHBondContact O-N 2.87Å; D244-Y246 PolarHBondContact O-N 3.32Å; D244-F247 PolarHBondContact O-N 3.35Å; D244-G248 PolarHBondContact O-N 3.29Å; D244-V249 HydrophobicContact CB-CB 4.5Å; D244-V249 PolarHBondContact O-N 2.91Å; D244-I251 HydrophobicContact CB-CG1 4.34Å
245	R	94.9	Very high	85.8	Confident	126 Å²	126	72.5 Å²	72.5	48%	0.475	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-40.5	177.2	-78.5	-176.9	-99.5	123.1	-2.9	112.9	E241 E242 L243 G248 I251	E241-R245 WeakPolarHBondContact O-CG 3.3Å; E241-R245 PolarHBondContact O-N 3.07Å; E241-R245 PolarHBondContact O-NE 3.12Å; E241-R245 IonicContact OE2-NH2 3.39Å; E242-R245 PolarHBondContact O-N 3.36Å; E242-R245 IonicContact OE1-NH1 2.87Å; E242-R245 PolarHBondContact OE1-NH1 3.35Å; E242-R245 IonicContact OE2-CZ 2.73Å; E242-R245 IonicContact OE2-NH1 3.65Å; E242-R245 PolarHBondContact OE2-NH1 3.11Å; E242-R245 IonicContact OE2-NH2 3.65Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.22Å; R245-G248 PolarHBondContact O-N 2.99Å; R245-I251 HydrophobicContact CG-CD1 4.12Å
246	Y	95.5	Very high	85.3	Confident	94 Å²	94	75.2 Å²	75.2	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-45.7	179	-177.9	-92.3	0	0	0	112	D230 P231 V235 E242 L243 D244 G248	D230-Y246 VanDerWaalsContact OD1-CE1 3.24Å; D230-Y246 WeakPolarHBondContact OD1-CE1 3.34Å; D230-Y246 PolarHBondContact OD1-OH 3.42Å; P231-Y246 HydrophobicContact CB-CD1 3.71Å; P231-Y246 HydrophobicContact CB-CD2 4.47Å; P231-Y246 HydrophobicContact CB-CE1 3.62Å; P231-Y246 HydrophobicContact CB-CE2 4.4Å; P231-Y246 HydrophobicContact CB-CG 4.14Å; P231-Y246 HydrophobicContact CG-CD1 4.07Å; P231-Y246 HydrophobicContact CG-CE1 4.13Å; V235-Y246 HydrophobicContact CG1-CD2 3.94Å; V235-Y246 HydrophobicContact CG1-CG 3.81Å; V235-Y246 HydrophobicContact CG2-CD2 4.03Å; V235-Y246 HydrophobicContact CG2-CE2 4.45Å; E242-Y246 WeakPolarHBondContact O-CB 3.5Å; E242-Y246 PolarHBondContact O-N 3.18Å; L243-Y246 PolarHBondContact O-N 3.19Å; D244-Y246 PolarHBondContact O-N 3.32Å; Y246-G248 VanDerWaalsContact C-N 3.27Å; Y246-G248 PolarHBondContact O-N 3.47Å
247	F	94.5	Very high	84.9	Confident	36 Å²	36	79.6 Å²	79.6	16%	0.158	41%	0.41	C	S	.	.	H	α-helix	trans	-82.3	-1	178.8	-72	-63.4	0	0	0	114	L201 Q203 I205 V206 P231 L243 D244 V249	L201-F247 WeakPolarHBondContact O-CZ 3.43Å; Q203-F247 HydrophobicContact CB-CD1 4.03Å; Q203-F247 HydrophobicContact CB-CE1 4.31Å; Q203-F247 HydrophobicContact CB-CG 4.4Å; Q203-F247 HydrophobicContact CG-CB 4.07Å; Q203-F247 HydrophobicContact CG-CD1 4.2Å; Q203-F247 HydrophobicContact CG-CG 4.16Å; I205-F247 HydrophobicContact CG2-CE2 3.93Å; V206-F247 HydrophobicContact CG1-CD2 3.58Å; V206-F247 HydrophobicContact CG1-CE2 4.12Å; P231-F247 HydrophobicContact CG-CE2 3.78Å; P231-F247 HydrophobicContact CG-CZ 3.69Å; L243-F247 HydrophobicContact CD2-CE2 4.22Å; L243-F247 WeakPolarHBondContact O-CD2 3.47Å; L243-F247 PolarHBondContact O-N 3.39Å; D244-F247 PolarHBondContact O-N 3.35Å; F247-V249 VanDerWaalsContact C-N 3.3Å; F247-V249 HydrophobicContact CB-CG2 4.07Å; F247-V249 PolarHBondContact O-N 2.88Å
248	G	91.3	Very high	84.5	Confident	68 Å²	68	81.8 Å²	81.8	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	27.8	-179	0	0	0	0	0	113.9	D244 R245 Y246	D244-G248 PolarHBondContact O-N 3.29Å; R245-G248 PolarHBondContact O-N 2.99Å; Y246-G248 VanDerWaalsContact C-N 3.27Å; Y246-G248 PolarHBondContact O-N 3.47Å
249	V	83.7	Confident	84	Confident	30 Å²	30	83.3 Å²	83.3	18%	0.182	41%	0.411	C	S	.	.			trans	-84	133.1	176.4	179.6	0	0	0	0	109.2	Q203 V206 D244 F247 I251	Q203-V249 HydrophobicContact CG-CG2 4.42Å; V206-V249 HydrophobicContact CG2-CB 4.4Å; V206-V249 HydrophobicContact CG2-CG1 4.33Å; V206-V249 HydrophobicContact CG2-CG2 3.96Å; D244-V249 HydrophobicContact CB-CB 4.5Å; D244-V249 PolarHBondContact O-N 2.91Å; F247-V249 VanDerWaalsContact C-N 3.3Å; F247-V249 HydrophobicContact CB-CG2 4.07Å; F247-V249 PolarHBondContact O-N 2.88Å; V249-I251 PolarHBondContact O-N 3.32Å
250	E	73.9	Confident	83.5	Confident	173 Å²	173	88.4 Å²	88.4	81%	0.808	43%	0.432	S	S	*	.			trans	-59.5	125.2	175.5	-74.6	-172.5	166.2	0	0	110	I252	E250-I252 PolarHBondContact O-N 3.39Å
251	I	62.4	Low	82.9	Confident	81 Å²	81	92.7 Å²	92.7	42%	0.415	45%	0.452	S	S	.	.			trans	-68	103.5	178.4	-56.4	172.5	0	0	0	108.1	D244 R245 V249 K253	D244-I251 HydrophobicContact CB-CG1 4.34Å; R245-I251 HydrophobicContact CG-CD1 4.12Å; V249-I251 PolarHBondContact O-N 3.32Å; I251-K253 PolarHBondContact O-N 2.61Å; I251-K253 VanDerWaalsContact O-N 3.17Å
252	I	59.8	Low	82.2	Confident	137 Å²	137	89.8 Å²	89.8	70%	0.703	44%	0.44	S	S	*	.			trans	-74.1	105.4	172.8	-52.6	176.4	0	0	0	107.1	E250	E250-I252 PolarHBondContact O-N 3.39Å
253	K	49.2	Very low	81.2	Confident	263 Å²	263	91.8 Å²	91.8	100%	1.143	45%	0.451	S	S	*	.			trans	-72.5	0	173	-76.8	-173.4	177.9	-179.8	0	112.3	I251	I251-K253 PolarHBondContact O-N 2.61Å; I251-K253 VanDerWaalsContact O-N 3.17Å

Retrieved 253 of 253 residues in 109.8 ms (Link to these results)

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