A0A3Q0KLF9_SCHMA Loading...

Calcineurin-like phosphoesterase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLF9, 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	55.1	Low	71.2	Confident	150 Å²	150	87.8 Å²	87.8	74%	0.739	47%	0.473	S	S	*	.				0	125.2	0	-167.5	177.3	-167	0	0	107.7	I3 T12 L21	M1-I3 HydrophobicContact CE-CD1 3.89Å; M1-I3 HydrophobicContact CE-CG1 4.4Å; M1-I3 HydrophobicContact CG-CD1 4.16Å; M1-I3 HydrophobicContact CG-CG1 4.13Å; M1-I3 HydrophobicContact SD-CD1 3.77Å; M1-I3 HydrophobicContact SD-CG1 4.38Å; M1-T12 HydrophobicContact CE-CG2 3.97Å; M1-L21 HydrophobicContact SD-CD2 4.34Å
2	H	69.1	Low	71.4	Confident	180 Å²	180	81.9 Å²	81.9	83%	0.833	44%	0.442	S	S	*	.			trans	-102.5	82.6	-174.4	-156.9	-65.5	0	0	0	110.3
3	I	69.1	Low	72	Confident	22 Å²	22	85.3 Å²	85.3	11%	0.113	45%	0.453	C	S	.	.			trans	-98.7	132.9	171.3	-57.8	166.7	0	0	0	107.5	M1 T7 V10 I25 R28 I29	M1-I3 HydrophobicContact CE-CD1 3.89Å; M1-I3 HydrophobicContact CE-CG1 4.4Å; M1-I3 HydrophobicContact CG-CD1 4.16Å; M1-I3 HydrophobicContact CG-CG1 4.13Å; M1-I3 HydrophobicContact SD-CD1 3.77Å; M1-I3 HydrophobicContact SD-CG1 4.38Å; I3-T7 HydrophobicContact CG2-CG2 4.23Å; I3-T7 WeakPolarHBondContact CG2-OG1 3.46Å; I3-V10 HydrophobicContact CD1-CG1 4.04Å; I3-V10 HydrophobicContact CG2-CG2 4.25Å; I3-I25 HydrophobicContact CD1-CD1 4.18Å; I3-R28 PolarHBondContact O-NH2 3.34Å; I3-I29 HydrophobicContact CB-CD1 3.59Å; I3-I29 HydrophobicContact CB-CG1 4.26Å; I3-I29 HydrophobicContact CD1-CD1 3.6Å; I3-I29 HydrophobicContact CG1-CD1 4.18Å; I3-I29 HydrophobicContact CG2-CD1 3.63Å; I3-I29 HydrophobicContact CG2-CG1 4.08Å; I3-I29 HydrophobicContact CG2-CG2 4.25Å
4	P	69.2	Low	72.2	Confident	70 Å²	70	82.6 Å²	82.6	46%	0.455	44%	0.437	S	S	.	.			trans	-60.8	144.6	174	-22.8	33.8	0	0	0	112.6	N6 T7	P4-N6 WeakPolarHBondContact CB-OD1 3.35Å; P4-N6 PolarHBondContact O-N 2.9Å; P4-T7 WeakPolarHBondContact O-CB 3.04Å; P4-T7 PolarHBondContact O-N 3.13Å; P4-T7 PolarHBondContact O-OG1 2.9Å
5	D	72.1	Confident	72.1	Confident	98 Å²	98	77.1 Å²	77.1	52%	0.524	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.8	-174.9	-62.1	-23.3	0	0	0	113.5	R28	D5-R28 IonicContact OD1-CZ 3.12Å; D5-R28 IonicContact OD1-NE 2.77Å; D5-R28 PolarHBondContact OD1-NE 3.38Å; D5-R28 IonicContact OD1-NH2 2.71Å; D5-R28 PolarHBondContact OD1-NH2 3.5Å
6	N	75.4	Confident	71.8	Confident	133 Å²	133	72.4 Å²	72.4	71%	0.711	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	25.5	-179.6	65	-34.7	0	0	0	113	P4 D8	P4-N6 WeakPolarHBondContact CB-OD1 3.35Å; P4-N6 PolarHBondContact O-N 2.9Å; N6-D8 PolarHBondContact O-N 3.05Å
7	T	69.2	Low	71.6	Confident	33 Å²	33	71.8 Å²	71.8	20%	0.202	38%	0.375	C	S	.	.			trans	-81.4	113.3	-177.2	-56.6	0	0	0	0	110.5	I3 P4 V9 V10 P31	I3-T7 HydrophobicContact CG2-CG2 4.23Å; I3-T7 WeakPolarHBondContact CG2-OG1 3.46Å; P4-T7 WeakPolarHBondContact O-CB 3.04Å; P4-T7 PolarHBondContact O-N 3.13Å; P4-T7 PolarHBondContact O-OG1 2.9Å; T7-V9 WeakPolarHBondContact CG2-O 3.11Å; T7-V10 HydrophobicContact CG2-CG2 3.71Å; T7-P31 VanDerWaalsContact O-CA 3.32Å; T7-P31 WeakPolarHBondContact O-CA 3.31Å; T7-P31 VanDerWaalsContact O-CB 3.31Å; T7-P31 WeakPolarHBondContact O-CB 3.32Å
8	D	70.6	Confident	71.2	Confident	106 Å²	106	73.6 Å²	73.6	57%	0.567	38%	0.376	S	S	*	.	S	Bend	trans	-72.8	-32.6	178.3	-68.8	-48.3	0	0	0	113.5	N6 P31 V32 L33	N6-D8 PolarHBondContact O-N 3.05Å; D8-P31 CarbonylContact O-C 3.55Å; D8-P31 WeakPolarHBondContact O-CB 3.41Å; D8-V32 HydrophobicContact CB-CG2 4.3Å; D8-V32 WeakPolarHBondContact O-CA 3.19Å; D8-V32 WeakPolarHBondContact O-CB 3.1Å; D8-V32 PolarHBondContact O-N 3.13Å; D8-L33 PolarHBondContact O-N 3.24Å
9	V	79.6	Confident	70.8	Confident	68 Å²	68	75.2 Å²	75.2	41%	0.412	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.7	-178.3	-175.8	0	0	0	0	110.1	T7 V11 L33	T7-V9 WeakPolarHBondContact CG2-O 3.11Å; V9-V11 HydrophobicContact CG1-CG2 4.22Å; V9-L33 CarbonylContact C-O 3.53Å; V9-L33 WeakPolarHBondContact CA-O 3.16Å; V9-L33 HydrophobicContact CG1-CB 4.4Å; V9-L33 HydrophobicContact CG1-CD2 4.14Å; V9-L33 HydrophobicContact CG1-CG 4.31Å; V9-L33 HydrophobicContact CG2-CB 4.34Å
10	V	71.3	Confident	70.8	Confident	6 Å²	6	78.1 Å²	78.1	4%	0.036	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	174.3	179.7	0	0	0	0	109.4	I3 T7 T12 I25 I29 P31 L33 H34 L35	I3-V10 HydrophobicContact CD1-CG1 4.04Å; I3-V10 HydrophobicContact CG2-CG2 4.25Å; T7-V10 HydrophobicContact CG2-CG2 3.71Å; V10-T12 HydrophobicContact CG1-CG2 3.88Å; V10-I25 HydrophobicContact CB-CD1 4.26Å; V10-I25 HydrophobicContact CG1-CD1 3.5Å; V10-I25 HydrophobicContact CG2-CD1 4.46Å; V10-I29 HydrophobicContact CG2-CG2 3.9Å; V10-P31 HydrophobicContact CB-CB 4.37Å; V10-P31 HydrophobicContact CB-CG 4.25Å; V10-P31 HydrophobicContact CG2-CB 3.8Å; V10-P31 HydrophobicContact CG2-CG 3.91Å; V10-L33 PolarHBondContact N-O 3.1Å; V10-H34 CarbonylContact O-C 3.35Å; V10-H34 WeakPolarHBondContact O-CA 3.26Å; V10-H34 PolarHBondContact O-CD2 3.06Å; V10-L35 PolarHBondContact O-N 2.98Å
11	V	83.2	Confident	70.6	Confident	100 Å²	100	75.6 Å²	75.6	61%	0.606	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.2	175.4	-172.9	0	0	0	0	109	V9 L35	V9-V11 HydrophobicContact CG1-CG2 4.22Å; V11-L35 WeakPolarHBondContact CA-O 3.46Å; V11-L35 HydrophobicContact CG1-CD2 4.49Å; V11-L35 HydrophobicContact CG2-CB 4.35Å
12	T	73.5	Confident	71.4	Confident	17 Å²	17	70.3 Å²	70.3	10%	0.104	36%	0.362	C	S	.	.			trans	-136	151.8	177.3	59.1	0	0	0	0	111.3	M1 V10 M14 H34 L35 C36	M1-T12 HydrophobicContact CE-CG2 3.97Å; V10-T12 HydrophobicContact CG1-CG2 3.88Å; T12-M14 WeakPolarHBondContact CB-O 3.22Å; T12-M14 PolarHBondContact OG1-O 3.15Å; T12-H34 PolarHBondContact OG1-CE1 3.36Å; T12-H34 PolarHBondContact OG1-NE2 3.06Å; T12-L35 PolarHBondContact N-O 3.39Å; T12-C36 WeakPolarHBondContact O-CA 3.45Å
13	H	79	Confident	71.7	Confident	126 Å²	126	64.3 Å²	64.3	58%	0.583	34%	0.341	S	S	*	.	S	Bend	trans	-69	-45.9	171.8	-177.2	46.6	0	0	0	111.3	G37 H38	H13-G37 CarbonylContact O-C 3.2Å; H13-G37 PolarHBondContact O-N 2.92Å; H13-H38 AromaticContact CE1-ND1 3.99Å; H13-H38 AromaticContact NE2-CG 3.91Å; H13-H38 AromaticContact NE2-ND1 3.32Å; H13-H38 PolarHBondContact NE2-ND1 3.28Å; H13-H38 VanDerWaalsContact O-CB 3.29Å; H13-H38 WeakPolarHBondContact O-CB 3.49Å
14	M	74.7	Confident	72.1	Confident	47 Å²	47	66.9 Å²	66.9	23%	0.232	35%	0.352	C	S	.	.	S	Bend	trans	-77.4	142.5	177.6	-65.5	-59.3	100.4	0	0	111.6	T12 L21 H38	T12-M14 WeakPolarHBondContact CB-O 3.22Å; T12-M14 PolarHBondContact OG1-O 3.15Å; M14-L21 HydrophobicContact CB-CD1 3.49Å; M14-L21 VanDerWaalsContact CB-CD1 3.49Å; M14-L21 HydrophobicContact CG-CD1 4.29Å; M14-H38 HydrophobicContact CE-CB 3.66Å; M14-H38 VanDerWaalsContact CE-ND1 3.26Å; M14-H38 WeakPolarHBondContact CE-ND1 3.45Å
15	P	70.4	Confident	72.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	33%	0.33	C	S	.	.			trans	-79.2	157.3	176.9	34.4	-37.5	0	0	0	113	W17 R18 C36 D39	P15-W17 VanDerWaalsContact C-N 3.29Å; P15-W17 HydrophobicContact CB-CD2 3.49Å; P15-W17 VanDerWaalsContact CB-CD2 3.49Å; P15-W17 HydrophobicContact CB-CE3 3.72Å; P15-W17 HydrophobicContact CB-CG 4.26Å; P15-W17 HydrophobicContact CB-CH2 3.58Å; P15-W17 HydrophobicContact CB-CZ2 3.29Å; P15-W17 HydrophobicContact CB-CZ3 3.76Å; P15-W17 HydrophobicContact CG-CD2 3.91Å; P15-W17 HydrophobicContact CG-CG 4.29Å; P15-W17 HydrophobicContact CG-CH2 4.44Å; P15-W17 HydrophobicContact CG-CZ2 3.66Å; P15-W17 PolarHBondContact O-N 3.44Å; P15-R18 HydrophobicContact CG-CG 4.46Å; P15-R18 WeakPolarHBondContact O-CB 3.38Å; P15-R18 WeakPolarHBondContact O-CG 3.38Å; P15-R18 PolarHBondContact O-N 3.03Å; P15-C36 HydrophobicContact CB-CB 4.27Å; P15-D39 HydrophobicContact CG-CB 4.23Å
16	A	66.8	Low	72.5	Confident	1 Å²	1	59 Å²	59	1%	0.008	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.7	-175.5	0	0	0	0	0	114.3	R18 Y22 I25 H34 F53	A16-R18 PolarHBondContact O-N 2.71Å; A16-Y22 WeakPolarHBondContact O-CA 3.49Å; A16-Y22 WeakPolarHBondContact O-CB 3.5Å; A16-Y22 WeakPolarHBondContact O-CD2 3.49Å; A16-Y22 PolarHBondContact O-N 3.43Å; A16-I25 HydrophobicContact CB-CB 4.08Å; A16-I25 HydrophobicContact CB-CG1 4.28Å; A16-I25 HydrophobicContact CB-CG2 4.11Å; A16-H34 VanDerWaalsContact CB-CE1 3.5Å; A16-H34 WeakPolarHBondContact CB-CE1 3.11Å; A16-H34 WeakPolarHBondContact CB-ND1 3.42Å; A16-H34 PolarHBondContact N-CE1 3.3Å; A16-F53 HydrophobicContact CB-CD1 3.84Å; A16-F53 HydrophobicContact CB-CE1 3.53Å
17	W	69	Low	72.6	Confident	62 Å²	62	56.5 Å²	56.5	24%	0.235	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.1	170.4	49.3	93.2	0	0	0	113.6	P15 D39 M46 N55	P15-W17 VanDerWaalsContact C-N 3.29Å; P15-W17 HydrophobicContact CB-CD2 3.49Å; P15-W17 VanDerWaalsContact CB-CD2 3.49Å; P15-W17 HydrophobicContact CB-CE3 3.72Å; P15-W17 HydrophobicContact CB-CG 4.26Å; P15-W17 HydrophobicContact CB-CH2 3.58Å; P15-W17 HydrophobicContact CB-CZ2 3.29Å; P15-W17 HydrophobicContact CB-CZ3 3.76Å; P15-W17 HydrophobicContact CG-CD2 3.91Å; P15-W17 HydrophobicContact CG-CG 4.29Å; P15-W17 HydrophobicContact CG-CH2 4.44Å; P15-W17 HydrophobicContact CG-CZ2 3.66Å; P15-W17 PolarHBondContact O-N 3.44Å; W17-D39 HydrophobicContact CZ2-CB 3.79Å; W17-D39 WeakPolarHBondContact CZ2-OD2 3.32Å; W17-D39 PolarHBondContact NE1-OD2 3.36Å; W17-M46 HydrophobicContact CE3-CE 4.32Å; W17-N55 HydrophobicContact CH2-CB 3.65Å; W17-N55 HydrophobicContact CZ2-CB 4.48Å
18	R	64.2	Low	73.2	Confident	104 Å²	104	59.8 Å²	59.8	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	-64.8	122.9	161.9	-75.5	-87.4	169.2	123.7	2.1	108.4	P15 A16 E20 L21 Y22 H38	P15-R18 HydrophobicContact CG-CG 4.46Å; P15-R18 WeakPolarHBondContact O-CB 3.38Å; P15-R18 WeakPolarHBondContact O-CG 3.38Å; P15-R18 PolarHBondContact O-N 3.03Å; A16-R18 PolarHBondContact O-N 2.71Å; R18-E20 WeakPolarHBondContact CB-OE2 3.2Å; R18-E20 PolarHBondContact O-N 3.12Å; R18-L21 HydrophobicContact CB-CB 4.23Å; R18-L21 HydrophobicContact CB-CD1 4.23Å; R18-L21 PolarHBondContact O-N 3.38Å; R18-Y22 PolarHBondContact O-N 3.23Å; R18-H38 PolarHBondContact NH2-NE2 2.79Å
19	P	63.6	Low	73.7	Confident	105 Å²	105	55 Å²	55	68%	0.682	28%	0.276	S	S	*	.	H	α-helix	trans	-54.2	-31.9	-177	-26.1	33.8	0	0	0	113.5	L21	P19-L21 VanDerWaalsContact C-N 3.29Å; P19-L21 PolarHBondContact O-N 3.28Å
20	E	70.1	Confident	73.7	Confident	132 Å²	132	58 Å²	58	62%	0.617	28%	0.284	S	S	*	.	H	α-helix	trans	-72.8	-22.3	-179.6	-46.1	88.1	174.3	0	0	113.2	R18 H24	R18-E20 WeakPolarHBondContact CB-OE2 3.2Å; R18-E20 PolarHBondContact O-N 3.12Å; E20-H24 PolarHBondContact O-CD2 2.93Å
21	L	66.9	Low	73.9	Confident	26 Å²	26	57.7 Å²	57.7	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-102.1	-30.5	-179.2	-93.1	144.8	0	0	0	112.3	M1 M14 R18 P19 S23 H24 I25	M1-L21 HydrophobicContact SD-CD2 4.34Å; M14-L21 HydrophobicContact CB-CD1 3.49Å; M14-L21 VanDerWaalsContact CB-CD1 3.49Å; M14-L21 HydrophobicContact CG-CD1 4.29Å; R18-L21 HydrophobicContact CB-CB 4.23Å; R18-L21 HydrophobicContact CB-CD1 4.23Å; R18-L21 PolarHBondContact O-N 3.38Å; P19-L21 VanDerWaalsContact C-N 3.29Å; P19-L21 PolarHBondContact O-N 3.28Å; L21-S23 PolarHBondContact O-N 3.13Å; L21-H24 PolarHBondContact O-N 2.65Å; L21-H24 VanDerWaalsContact O-N 3.15Å; L21-I25 HydrophobicContact CD2-CD1 4.4Å; L21-I25 HydrophobicContact CD2-CG1 4.07Å; L21-I25 WeakPolarHBondContact O-CG1 3.15Å; L21-I25 PolarHBondContact O-N 3.15Å
22	Y	73.5	Confident	73.5	Confident	39 Å²	39	56.8 Å²	56.8	15%	0.153	28%	0.276	C	S	.	.	H	α-helix	trans	-54.9	-51.7	-174.6	-172.5	-93.8	0	0	0	111.9	A16 R18 H24 I25 A26 K48 V183	A16-Y22 WeakPolarHBondContact O-CA 3.49Å; A16-Y22 WeakPolarHBondContact O-CB 3.5Å; A16-Y22 WeakPolarHBondContact O-CD2 3.49Å; A16-Y22 PolarHBondContact O-N 3.43Å; R18-Y22 PolarHBondContact O-N 3.23Å; Y22-H24 VanDerWaalsContact C-N 3.26Å; Y22-H24 PolarHBondContact O-N 2.77Å; Y22-I25 PolarHBondContact O-N 3.26Å; Y22-A26 HydrophobicContact CD1-CB 4.2Å; Y22-A26 HydrophobicContact CD2-CB 4.09Å; Y22-A26 HydrophobicContact CE1-CB 3.79Å; Y22-A26 HydrophobicContact CE2-CB 3.69Å; Y22-A26 HydrophobicContact CG-CB 4.33Å; Y22-A26 WeakPolarHBondContact O-CB 3.45Å; Y22-A26 PolarHBondContact O-N 2.86Å; Y22-K48 WeakPolarHBondContact OH-CD 3.34Å; Y22-K48 WeakPolarHBondContact OH-CE 3.41Å; Y22-K48 PolarHBondContact OH-NZ 2.89Å; Y22-V183 HydrophobicContact CE2-CG1 4.5Å
23	S	73.8	Confident	73.8	Confident	54 Å²	54	57 Å²	57	38%	0.378	28%	0.277	S	S	.	.	I	π-helix	trans	-63.5	-31.9	-178	58	0	0	0	0	112.8	L21 D27 R28	L21-S23 PolarHBondContact O-N 3.13Å; S23-D27 WeakPolarHBondContact CA-OD2 3.32Å; S23-D27 WeakPolarHBondContact O-CB 3.31Å; S23-D27 PolarHBondContact O-N 2.91Å; S23-R28 PolarHBondContact O-N 3.02Å; S23-R28 VanDerWaalsContact O-N 3.12Å
24	H	77.8	Confident	73.6	Confident	76 Å²	76	51 Å²	51	35%	0.352	25%	0.249	S	C	.	.	I	π-helix	trans	-74.5	-44.9	175.5	-72.8	-54.7	0	0	0	112.1	E20 L21 Y22 R28 I29	E20-H24 PolarHBondContact O-CD2 2.93Å; L21-H24 PolarHBondContact O-N 2.65Å; L21-H24 VanDerWaalsContact O-N 3.15Å; Y22-H24 VanDerWaalsContact C-N 3.26Å; Y22-H24 PolarHBondContact O-N 2.77Å; H24-R28 WeakPolarHBondContact O-CB 3.46Å; H24-I29 VanDerWaalsContact O-CD1 3.26Å; H24-I29 WeakPolarHBondContact O-CD1 3.5Å; H24-I29 VanDerWaalsContact O-CG1 3.22Å; H24-I29 WeakPolarHBondContact O-CG1 3.38Å; H24-I29 PolarHBondContact O-N 2.99Å
25	I	76.8	Confident	73.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-80	-55.6	-174	-58.2	-71.4	0	0	0	111.2	I3 V10 A16 L21 Y22 I29 K30 P31 H34 F53	I3-I25 HydrophobicContact CD1-CD1 4.18Å; V10-I25 HydrophobicContact CB-CD1 4.26Å; V10-I25 HydrophobicContact CG1-CD1 3.5Å; V10-I25 HydrophobicContact CG2-CD1 4.46Å; A16-I25 HydrophobicContact CB-CB 4.08Å; A16-I25 HydrophobicContact CB-CG1 4.28Å; A16-I25 HydrophobicContact CB-CG2 4.11Å; L21-I25 HydrophobicContact CD2-CD1 4.4Å; L21-I25 HydrophobicContact CD2-CG1 4.07Å; L21-I25 WeakPolarHBondContact O-CG1 3.15Å; L21-I25 PolarHBondContact O-N 3.15Å; Y22-I25 PolarHBondContact O-N 3.26Å; I25-I29 HydrophobicContact CD1-CD1 3.98Å; I25-K30 PolarHBondContact O-N 3.21Å; I25-P31 HydrophobicContact CG2-CG 3.98Å; I25-P31 WeakPolarHBondContact O-CD 3.37Å; I25-H34 HydrophobicContact CG2-CB 4.06Å; I25-F53 HydrophobicContact CG2-CE1 3.84Å; I25-F53 HydrophobicContact CG2-CZ 4.48Å
26	A	73.4	Confident	74.1	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	25%	0.251	C	S	.	.	I	π-helix	trans	-77.6	-39.5	-174	0	0	0	0	0	112.4	Y22 K30 F53	Y22-A26 HydrophobicContact CD1-CB 4.2Å; Y22-A26 HydrophobicContact CD2-CB 4.09Å; Y22-A26 HydrophobicContact CE1-CB 3.79Å; Y22-A26 HydrophobicContact CE2-CB 3.69Å; Y22-A26 HydrophobicContact CG-CB 4.33Å; Y22-A26 WeakPolarHBondContact O-CB 3.45Å; Y22-A26 PolarHBondContact O-N 2.86Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-F53 HydrophobicContact CB-CZ 4.14Å
27	D	77.1	Confident	74.1	Confident	80 Å²	80	51.7 Å²	51.7	43%	0.428	26%	0.257	S	S	.	.	I	π-helix	trans	-96.3	-36.4	-172.1	-53.3	-34.3	0	0	0	113.3	S23 K30	S23-D27 WeakPolarHBondContact CA-OD2 3.32Å; S23-D27 WeakPolarHBondContact O-CB 3.31Å; S23-D27 PolarHBondContact O-N 2.91Å; D27-K30 WeakPolarHBondContact O-CE 3.41Å
28	R	81.9	Confident	74.3	Confident	102 Å²	102	52.3 Å²	52.3	39%	0.385	26%	0.262	S	S	.	.	I	π-helix	trans	-92.2	-59.4	-179.2	178.6	-176.1	164.2	-139.8	-14.5	113	I3 D5 S23 H24	I3-R28 PolarHBondContact O-NH2 3.34Å; D5-R28 IonicContact OD1-CZ 3.12Å; D5-R28 IonicContact OD1-NE 2.77Å; D5-R28 PolarHBondContact OD1-NE 3.38Å; D5-R28 IonicContact OD1-NH2 2.71Å; D5-R28 PolarHBondContact OD1-NH2 3.5Å; S23-R28 PolarHBondContact O-N 3.02Å; S23-R28 VanDerWaalsContact O-N 3.12Å; H24-R28 WeakPolarHBondContact O-CB 3.46Å
29	I	80.5	Confident	74.2	Confident	7 Å²	7	48.9 Å²	48.9	4%	0.036	25%	0.252	C	S	.	.	I	π-helix	trans	-78.3	-40.4	-170.9	-61	154.7	0	0	0	111.3	I3 V10 H24 I25 P31	I3-I29 HydrophobicContact CB-CD1 3.59Å; I3-I29 HydrophobicContact CB-CG1 4.26Å; I3-I29 HydrophobicContact CD1-CD1 3.6Å; I3-I29 HydrophobicContact CG1-CD1 4.18Å; I3-I29 HydrophobicContact CG2-CD1 3.63Å; I3-I29 HydrophobicContact CG2-CG1 4.08Å; I3-I29 HydrophobicContact CG2-CG2 4.25Å; V10-I29 HydrophobicContact CG2-CG2 3.9Å; H24-I29 VanDerWaalsContact O-CD1 3.26Å; H24-I29 WeakPolarHBondContact O-CD1 3.5Å; H24-I29 VanDerWaalsContact O-CG1 3.22Å; H24-I29 WeakPolarHBondContact O-CG1 3.38Å; H24-I29 PolarHBondContact O-N 2.99Å; I25-I29 HydrophobicContact CD1-CD1 3.98Å; I29-P31 HydrophobicContact CG2-CB 4.35Å; I29-P31 HydrophobicContact CG2-CG 4.46Å
30	K	79.9	Confident	74	Confident	130 Å²	130	48.8 Å²	48.8	57%	0.565	24%	0.241	S	C	*	.			trans	50.1	53	-178.4	-62.8	177.3	-174.5	-177.4	0	112.9	I25 A26 D27	I25-K30 PolarHBondContact O-N 3.21Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; D27-K30 WeakPolarHBondContact O-CE 3.41Å
31	P	75.7	Confident	73.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.			trans	-65.4	155.4	-178.5	31	-34.4	0	0	0	110.5	T7 D8 V10 I25 I29 L33 H34 T51	T7-P31 VanDerWaalsContact O-CA 3.32Å; T7-P31 WeakPolarHBondContact O-CA 3.31Å; T7-P31 VanDerWaalsContact O-CB 3.31Å; T7-P31 WeakPolarHBondContact O-CB 3.32Å; D8-P31 CarbonylContact O-C 3.55Å; D8-P31 WeakPolarHBondContact O-CB 3.41Å; V10-P31 HydrophobicContact CB-CB 4.37Å; V10-P31 HydrophobicContact CB-CG 4.25Å; V10-P31 HydrophobicContact CG2-CB 3.8Å; V10-P31 HydrophobicContact CG2-CG 3.91Å; I25-P31 HydrophobicContact CG2-CG 3.98Å; I25-P31 WeakPolarHBondContact O-CD 3.37Å; I29-P31 HydrophobicContact CG2-CB 4.35Å; I29-P31 HydrophobicContact CG2-CG 4.46Å; P31-L33 VanDerWaalsContact C-N 3.27Å; P31-H34 HydrophobicContact CG-CB 4.36Å; P31-T51 HydrophobicContact CG-CG2 3.9Å; P31-T51 VanDerWaalsContact O-CA 3.29Å; P31-T51 WeakPolarHBondContact O-CA 3.39Å; P31-T51 WeakPolarHBondContact O-CB 3.13Å; P31-T51 WeakPolarHBondContact O-CG2 3.3Å; P31-T51 PolarHBondContact O-OG1 3.1Å
32	V	75.4	Confident	72.5	Confident	80 Å²	80	45 Å²	45	49%	0.485	24%	0.238	S	C	.	.	S	Bend	trans	-64.5	-37.8	168.4	-179.5	0	0	0	0	110.2	D8 L52	D8-V32 HydrophobicContact CB-CG2 4.3Å; D8-V32 WeakPolarHBondContact O-CA 3.19Å; D8-V32 WeakPolarHBondContact O-CB 3.1Å; D8-V32 PolarHBondContact O-N 3.13Å; V32-L52 WeakPolarHBondContact O-CB 3.02Å; V32-L52 PolarHBondContact O-N 3.43Å
33	L	78.8	Confident	71.9	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.1	179.8	173.3	62	0	0	0	111.6	D8 V9 V10 P31 L52 C54 V222	D8-L33 PolarHBondContact O-N 3.24Å; V9-L33 CarbonylContact C-O 3.53Å; V9-L33 WeakPolarHBondContact CA-O 3.16Å; V9-L33 HydrophobicContact CG1-CB 4.4Å; V9-L33 HydrophobicContact CG1-CD2 4.14Å; V9-L33 HydrophobicContact CG1-CG 4.31Å; V9-L33 HydrophobicContact CG2-CB 4.34Å; V10-L33 PolarHBondContact N-O 3.1Å; P31-L33 VanDerWaalsContact C-N 3.27Å; L33-L52 CarbonylContact C-O 3.56Å; L33-L52 WeakPolarHBondContact CA-O 3.1Å; L33-L52 HydrophobicContact CD1-CB 4.19Å; L33-L52 HydrophobicContact CD1-CD2 4.04Å; L33-L52 HydrophobicContact CD1-CG 4.02Å; L33-L52 WeakPolarHBondContact CD1-O 2.88Å; L33-C54 HydrophobicContact CD1-CB 4.07Å; L33-V222 HydrophobicContact CD2-CG2 4.31Å
34	H	76.2	Confident	71.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.8	164.3	-179.4	-131.2	0	0	0	110.2	V10 T12 A16 I25 P31 T51 L52 F53 C54	V10-H34 CarbonylContact O-C 3.35Å; V10-H34 WeakPolarHBondContact O-CA 3.26Å; V10-H34 PolarHBondContact O-CD2 3.06Å; T12-H34 PolarHBondContact OG1-CE1 3.36Å; T12-H34 PolarHBondContact OG1-NE2 3.06Å; A16-H34 VanDerWaalsContact CB-CE1 3.5Å; A16-H34 WeakPolarHBondContact CB-CE1 3.11Å; A16-H34 WeakPolarHBondContact CB-ND1 3.42Å; A16-H34 PolarHBondContact N-CE1 3.3Å; I25-H34 HydrophobicContact CG2-CB 4.06Å; P31-H34 HydrophobicContact CG-CB 4.36Å; H34-T51 HydrophobicContact CB-CG2 4.18Å; H34-L52 PolarHBondContact N-O 2.9Å; H34-F53 HydrophobicContact CB-CD1 3.68Å; H34-F53 HydrophobicContact CB-CE1 3.96Å; H34-F53 HydrophobicContact CB-CG 4.48Å; H34-F53 AromaticContact CG-CD1 3.93Å; H34-F53 AromaticContact ND1-CD1 3.43Å; H34-F53 WeakPolarHBondContact ND1-CD1 3.29Å; H34-F53 AromaticContact ND1-CE1 3.85Å; H34-F53 CarbonylContact O-C 3.58Å; H34-F53 WeakPolarHBondContact O-CA 3.48Å; H34-C54 PolarHBondContact O-N 2.89Å
35	L	80.3	Confident	70.4	Confident	44 Å²	44	41.2 Å²	41.2	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	175	-176.6	66.1	0	0	0	110.2	V10 V11 T12 C54 A56	V10-L35 PolarHBondContact O-N 2.98Å; V11-L35 WeakPolarHBondContact CA-O 3.46Å; V11-L35 HydrophobicContact CG1-CD2 4.49Å; V11-L35 HydrophobicContact CG2-CB 4.35Å; T12-L35 PolarHBondContact N-O 3.39Å; L35-C54 CarbonylContact C-O 2.6Å; L35-C54 WeakPolarHBondContact CA-O 3.49Å; L35-C54 HydrophobicContact CD1-CB 3.87Å; L35-A56 HydrophobicContact CD1-CB 4.09Å
36	C	74.5	Confident	69.7	Low	7 Å²	7	42.6 Å²	42.6	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	174.5	180	66.6	0	0	0	0	114.1	T12 P15 C54 N55 A56	T12-C36 WeakPolarHBondContact O-CA 3.45Å; P15-C36 HydrophobicContact CB-CB 4.27Å; C36-C54 PolarHBondContact N-O 2.96Å; C36-C54 PolarHBondContact SG-O 2.92Å; C36-C54 VanDerWaalsContact SG-O 3.36Å; C36-N55 WeakPolarHBondContact O-CA 3.35Å; C36-A56 PolarHBondContact O-N 3.47Å
37	G	67.6	Low	69	Low	13 Å²	13	48.3 Å²	48.3	13%	0.134	25%	0.247	C	C	.	.			trans	-139.5	-137.6	172.5	0	0	0	0	0	110.5	H13 D39 N55	H13-G37 CarbonylContact O-C 3.2Å; H13-G37 PolarHBondContact O-N 2.92Å; G37-D39 PolarHBondContact O-N 3.3Å; G37-N55 WeakPolarHBondContact CA-OD1 3.48Å
38	H	72.1	Confident	68.4	Low	75 Å²	75	45.4 Å²	45.4	35%	0.347	23%	0.23	S	C	.	.	S	Bend	trans	68.2	-45	177.4	-171.4	74.7	0	0	0	115.8	H13 M14 R18 F40	H13-H38 AromaticContact CE1-ND1 3.99Å; H13-H38 AromaticContact NE2-CG 3.91Å; H13-H38 AromaticContact NE2-ND1 3.32Å; H13-H38 PolarHBondContact NE2-ND1 3.28Å; H13-H38 VanDerWaalsContact O-CB 3.29Å; H13-H38 WeakPolarHBondContact O-CB 3.49Å; M14-H38 HydrophobicContact CE-CB 3.66Å; M14-H38 VanDerWaalsContact CE-ND1 3.26Å; M14-H38 WeakPolarHBondContact CE-ND1 3.45Å; R18-H38 PolarHBondContact NH2-NE2 2.79Å; H38-F40 PolarHBondContact O-N 3.24Å
39	D	62	Low	67.7	Low	32 Å²	32	45.6 Å²	45.6	17%	0.171	24%	0.235	C	C	.	.			trans	-90.9	91.1	-178.5	-175.6	-3.4	0	0	0	111.2	P15 W17 G37 A41 G42 N55 A57	P15-D39 HydrophobicContact CG-CB 4.23Å; W17-D39 HydrophobicContact CZ2-CB 3.79Å; W17-D39 WeakPolarHBondContact CZ2-OD2 3.32Å; W17-D39 PolarHBondContact NE1-OD2 3.36Å; G37-D39 PolarHBondContact O-N 3.3Å; D39-A41 PolarHBondContact O-N 3.41Å; D39-A41 PolarHBondContact OD1-N 2.75Å; D39-G42 PolarHBondContact O-N 3.26Å; D39-G42 PolarHBondContact OD1-N 2.72Å; D39-N55 PolarHBondContact O-ND2 2.92Å; D39-A57 WeakPolarHBondContact O-CB 3.33Å
40	F	59.6	Low	67	Low	103 Å²	103	47.2 Å²	47.2	45%	0.452	25%	0.253	S	S	.	.	S	Bend	trans	-62.4	-27.1	178	-61.1	-58.8	0	0	0	114.2	H38 A57 L58 Q59	H38-F40 PolarHBondContact O-N 3.24Å; F40-A57 HydrophobicContact CD1-CB 3.8Å; F40-A57 HydrophobicContact CE1-CB 4.27Å; F40-L58 VanDerWaalsContact CD1-C 3.5Å; F40-L58 WeakPolarHBondContact CE1-O 3.3Å; F40-Q59 HydrophobicContact CB-CB 3.96Å; F40-Q59 HydrophobicContact CB-CG 4.4Å; F40-Q59 VanDerWaalsContact CD1-CA 3.49Å; F40-Q59 HydrophobicContact CD1-CB 3.73Å; F40-Q59 HydrophobicContact CD1-CG 4.35Å; F40-Q59 VanDerWaalsContact CD1-N 3.3Å; F40-Q59 HydrophobicContact CD2-CG 4.41Å; F40-Q59 HydrophobicContact CE1-CB 4.4Å; F40-Q59 HydrophobicContact CG-CB 3.83Å; F40-Q59 HydrophobicContact CG-CG 4.13Å
41	A	52.5	Low	66.4	Low	58 Å²	58	41.1 Å²	41.1	48%	0.479	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-29	177.8	0	0	0	0	0	111.3	D39	D39-A41 PolarHBondContact O-N 3.41Å; D39-A41 PolarHBondContact OD1-N 2.75Å
42	G	53.7	Low	66.3	Low	21 Å²	21	43.6 Å²	43.6	22%	0.216	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	17.7	179.7	0	0	0	0	0	115.5	D39 G44 N55	D39-G42 PolarHBondContact O-N 3.26Å; D39-G42 PolarHBondContact OD1-N 2.72Å; G42-G44 PolarHBondContact O-N 2.78Å; G42-N55 WeakPolarHBondContact O-CB 2.85Å; G42-N55 PolarHBondContact O-ND2 2.96Å
43	Y	60.3	Low	66.1	Low	46 Å²	46	40.1 Å²	40.1	18%	0.18	22%	0.219	C	C	.	.			trans	-54.8	128.1	178.4	177.6	-94.2	0	0	0	111	N55 A57 L58 M174 I218	Y43-N55 VanDerWaalsContact CD2-O 3.25Å; Y43-N55 WeakPolarHBondContact CD2-O 3.43Å; Y43-A57 WeakPolarHBondContact CD2-O 3.16Å; Y43-L58 HydrophobicContact CD2-CD2 4.17Å; Y43-L58 HydrophobicContact CE2-CD2 3.66Å; Y43-M174 HydrophobicContact CD1-SD 4.03Å; Y43-M174 HydrophobicContact CE1-SD 4.46Å; Y43-I218 HydrophobicContact CE1-CB 4.4Å; Y43-I218 HydrophobicContact CE1-CD1 3.9Å; Y43-I218 HydrophobicContact CE1-CG1 4Å; Y43-I218 WeakPolarHBondContact OH-CA 2.81Å; Y43-I218 WeakPolarHBondContact OH-CB 2.89Å; Y43-I218 PolarHBondContact OH-N 2.81Å; Y43-I218 PolarHBondContact OH-O 2.88Å
44	G	58.7	Low	65.9	Low	9 Å²	9	39.5 Å²	39.5	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-165.6	-178.9	0	0	0	0	0	113.9	G42 N55	G42-G44 PolarHBondContact O-N 2.78Å; G44-N55 PolarHBondContact N-O 2.95Å; G44-N55 VanDerWaalsContact N-O 3.09Å; G44-N55 PolarHBondContact O-N 2.75Å
45	V	62	Low	65.5	Low	33 Å²	33	39.6 Å²	39.6	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.3	-178.4	-70.1	0	0	0	0	111	L52 F53 C54 I169	V45-L52 HydrophobicContact CB-CD1 4.22Å; V45-F53 CarbonylContact C-O 3.44Å; V45-F53 VanDerWaalsContact CA-O 3.22Å; V45-F53 WeakPolarHBondContact CA-O 3.38Å; V45-C54 HydrophobicContact CG1-CB 4.03Å; V45-I169 HydrophobicContact CG2-CB 4.15Å; V45-I169 HydrophobicContact CG2-CD1 3.79Å; V45-I169 HydrophobicContact CG2-CG1 4.49Å; V45-I169 HydrophobicContact CG2-CG2 4.34Å
46	M	61.4	Low	65	Low	30 Å²	30	39.9 Å²	39.9	15%	0.148	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.6	177.6	168.5	170.8	44.9	0	0	109.3	W17 F53	W17-M46 HydrophobicContact CE3-CE 4.32Å; M46-F53 HydrophobicContact CB-CB 4.34Å; M46-F53 HydrophobicContact CE-CB 4.46Å; M46-F53 PolarHBondContact N-O 2.78Å; M46-F53 PolarHBondContact O-N 2.88Å
47	W	59.4	Low	64.3	Low	123 Å²	123	40 Å²	40	47%	0.466	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.7	174	-172.8	-87.5	0	0	0	109.8	T51 L52	W47-T51 WeakPolarHBondContact CA-O 3.25Å; W47-L52 HydrophobicContact CE3-CB 3.69Å; W47-L52 HydrophobicContact CE3-CD1 4.03Å; W47-L52 HydrophobicContact CE3-CG 4.4Å; W47-L52 HydrophobicContact CZ3-CB 3.7Å
48	K	63	Low	63.9	Low	18 Å²	18	43 Å²	43	8%	0.078	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.2	176.5	-174	173.3	-174.7	-176.7	0	110.4	Y22 G50 T51 F53	Y22-K48 WeakPolarHBondContact OH-CD 3.34Å; Y22-K48 WeakPolarHBondContact OH-CE 3.41Å; Y22-K48 PolarHBondContact OH-NZ 2.89Å; K48-G50 PolarHBondContact O-N 3.42Å; K48-G50 VanDerWaalsContact O-N 3.13Å; K48-T51 PolarHBondContact N-O 3.23Å; K48-T51 WeakPolarHBondContact O-CB 3.13Å; K48-T51 PolarHBondContact O-N 3.08Å; K48-F53 HydrophobicContact CB-CD2 4.4Å; K48-F53 HydrophobicContact CB-CE2 4.02Å
49	Q	67.4	Low	62.9	Low	107 Å²	107	44.6 Å²	44.6	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.8	174	-66.1	176.6	-4.2	0	0	114.9	T51	Q49-T51 VanDerWaalsContact C-N 3.3Å
50	G	66	Low	62.1	Low	40 Å²	40	49.4 Å²	49.4	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-3.4	-179.3	0	0	0	0	0	114.9	K48	K48-G50 PolarHBondContact O-N 3.42Å; K48-G50 VanDerWaalsContact O-N 3.13Å
51	T	67.4	Low	61	Low	2 Å²	2	47.2 Å²	47.2	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.4	175.8	-59	0	0	0	0	111.3	P31 H34 W47 K48 Q49 F53	P31-T51 HydrophobicContact CG-CG2 3.9Å; P31-T51 VanDerWaalsContact O-CA 3.29Å; P31-T51 WeakPolarHBondContact O-CA 3.39Å; P31-T51 WeakPolarHBondContact O-CB 3.13Å; P31-T51 WeakPolarHBondContact O-CG2 3.3Å; P31-T51 PolarHBondContact O-OG1 3.1Å; H34-T51 HydrophobicContact CB-CG2 4.18Å; W47-T51 WeakPolarHBondContact CA-O 3.25Å; K48-T51 PolarHBondContact N-O 3.23Å; K48-T51 WeakPolarHBondContact O-CB 3.13Å; K48-T51 PolarHBondContact O-N 3.08Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; T51-F53 HydrophobicContact CG2-CD1 4.26Å; T51-F53 HydrophobicContact CG2-CD2 3.94Å; T51-F53 HydrophobicContact CG2-CE1 3.85Å; T51-F53 HydrophobicContact CG2-CE2 3.5Å; T51-F53 VanDerWaalsContact CG2-CE2 3.5Å; T51-F53 HydrophobicContact CG2-CG 4.29Å; T51-F53 HydrophobicContact CG2-CZ 3.45Å; T51-F53 VanDerWaalsContact CG2-CZ 3.45Å
52	L	73.7	Confident	60.2	Low	52 Å²	52	50.8 Å²	50.8	27%	0.272	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.1	165.5	-178.3	59.9	0	0	0	109.8	V32 L33 H34 V45 W47	V32-L52 WeakPolarHBondContact O-CB 3.02Å; V32-L52 PolarHBondContact O-N 3.43Å; L33-L52 CarbonylContact C-O 3.56Å; L33-L52 WeakPolarHBondContact CA-O 3.1Å; L33-L52 HydrophobicContact CD1-CB 4.19Å; L33-L52 HydrophobicContact CD1-CD2 4.04Å; L33-L52 HydrophobicContact CD1-CG 4.02Å; L33-L52 WeakPolarHBondContact CD1-O 2.88Å; H34-L52 PolarHBondContact N-O 2.9Å; V45-L52 HydrophobicContact CB-CD1 4.22Å; W47-L52 HydrophobicContact CE3-CB 3.69Å; W47-L52 HydrophobicContact CE3-CD1 4.03Å; W47-L52 HydrophobicContact CE3-CG 4.4Å; W47-L52 HydrophobicContact CZ3-CB 3.7Å
53	F	72.3	Confident	59.2	Low	8 Å²	8	55.4 Å²	55.4	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.9	170.9	-62.6	-87.6	0	0	0	109.3	A16 I25 A26 H34 V45 M46 K48 T51	A16-F53 HydrophobicContact CB-CD1 3.84Å; A16-F53 HydrophobicContact CB-CE1 3.53Å; I25-F53 HydrophobicContact CG2-CE1 3.84Å; I25-F53 HydrophobicContact CG2-CZ 4.48Å; A26-F53 HydrophobicContact CB-CZ 4.14Å; H34-F53 HydrophobicContact CB-CD1 3.68Å; H34-F53 HydrophobicContact CB-CE1 3.96Å; H34-F53 HydrophobicContact CB-CG 4.48Å; H34-F53 AromaticContact CG-CD1 3.93Å; H34-F53 AromaticContact ND1-CD1 3.43Å; H34-F53 WeakPolarHBondContact ND1-CD1 3.29Å; H34-F53 AromaticContact ND1-CE1 3.85Å; H34-F53 CarbonylContact O-C 3.58Å; H34-F53 WeakPolarHBondContact O-CA 3.48Å; V45-F53 CarbonylContact C-O 3.44Å; V45-F53 VanDerWaalsContact CA-O 3.22Å; V45-F53 WeakPolarHBondContact CA-O 3.38Å; M46-F53 HydrophobicContact CB-CB 4.34Å; M46-F53 HydrophobicContact CE-CB 4.46Å; M46-F53 PolarHBondContact N-O 2.78Å; M46-F53 PolarHBondContact O-N 2.88Å; K48-F53 HydrophobicContact CB-CD2 4.4Å; K48-F53 HydrophobicContact CB-CE2 4.02Å; T51-F53 HydrophobicContact CG2-CD1 4.26Å; T51-F53 HydrophobicContact CG2-CD2 3.94Å; T51-F53 HydrophobicContact CG2-CE1 3.85Å; T51-F53 HydrophobicContact CG2-CE2 3.5Å; T51-F53 VanDerWaalsContact CG2-CE2 3.5Å; T51-F53 HydrophobicContact CG2-CG 4.29Å; T51-F53 HydrophobicContact CG2-CZ 3.45Å; T51-F53 VanDerWaalsContact CG2-CZ 3.45Å
54	C	73	Confident	57.8	Low	8 Å²	8	55.9 Å²	55.9	5%	0.054	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.7	179.5	-176.3	0	0	0	0	109.6	L33 H34 L35 C36 V45	L33-C54 HydrophobicContact CD1-CB 4.07Å; H34-C54 PolarHBondContact O-N 2.89Å; L35-C54 CarbonylContact C-O 2.6Å; L35-C54 WeakPolarHBondContact CA-O 3.49Å; L35-C54 HydrophobicContact CD1-CB 3.87Å; C36-C54 PolarHBondContact N-O 2.96Å; C36-C54 PolarHBondContact SG-O 2.92Å; C36-C54 VanDerWaalsContact SG-O 3.36Å; V45-C54 HydrophobicContact CG1-CB 4.03Å
55	N	68.2	Low	56.3	Low	2 Å²	2	60.7 Å²	60.7	1%	0.011	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.7	172.6	178.9	6.8	0	0	0	110.5	W17 C36 G37 D39 G42 Y43 G44 A57	W17-N55 HydrophobicContact CH2-CB 3.65Å; W17-N55 HydrophobicContact CZ2-CB 4.48Å; C36-N55 WeakPolarHBondContact O-CA 3.35Å; G37-N55 WeakPolarHBondContact CA-OD1 3.48Å; D39-N55 PolarHBondContact O-ND2 2.92Å; G42-N55 WeakPolarHBondContact O-CB 2.85Å; G42-N55 PolarHBondContact O-ND2 2.96Å; Y43-N55 VanDerWaalsContact CD2-O 3.25Å; Y43-N55 WeakPolarHBondContact CD2-O 3.43Å; G44-N55 PolarHBondContact N-O 2.95Å; G44-N55 VanDerWaalsContact N-O 3.09Å; G44-N55 PolarHBondContact O-N 2.75Å; N55-A57 VanDerWaalsContact C-N 3.35Å; N55-A57 WeakPolarHBondContact OD1-CB 3.34Å; N55-A57 PolarHBondContact OD1-N 3.43Å
56	A	70.6	Confident	54.8	Low	51 Å²	51	64.2 Å²	64.2	42%	0.421	37%	0.371	S	S	.	.			trans	-96.1	21	-179.3	0	0	0	0	0	112.6	L35 C36 L58	L35-A56 HydrophobicContact CD1-CB 4.09Å; C36-A56 PolarHBondContact O-N 3.47Å; A56-L58 PolarHBondContact O-N 3.19Å
57	A	59.1	Low	53.4	Low	8 Å²	8	69 Å²	69	7%	0.066	40%	0.402	C	S	.	.			trans	-64.2	105.9	177.6	0	0	0	0	0	111.4	D39 F40 Y43 N55	D39-A57 WeakPolarHBondContact O-CB 3.33Å; F40-A57 HydrophobicContact CD1-CB 3.8Å; F40-A57 HydrophobicContact CE1-CB 4.27Å; Y43-A57 WeakPolarHBondContact CD2-O 3.16Å; N55-A57 VanDerWaalsContact C-N 3.35Å; N55-A57 WeakPolarHBondContact OD1-CB 3.34Å; N55-A57 PolarHBondContact OD1-N 3.43Å
58	L	59.2	Low	51.8	Low	78 Å²	78	66.3 Å²	66.3	41%	0.408	41%	0.413	S	S	.	.			trans	-94.7	114.2	172.3	-61.9	178.4	0	0	0	109.5	F40 Y43 A56 L60 F64	F40-L58 VanDerWaalsContact CD1-C 3.5Å; F40-L58 WeakPolarHBondContact CE1-O 3.3Å; Y43-L58 HydrophobicContact CD2-CD2 4.17Å; Y43-L58 HydrophobicContact CE2-CD2 3.66Å; A56-L58 PolarHBondContact O-N 3.19Å; L58-L60 PolarHBondContact O-N 2.89Å; L58-F64 HydrophobicContact CB-CE1 4.4Å; L58-F64 HydrophobicContact CB-CZ 4.45Å; L58-F64 HydrophobicContact CD1-CE1 4.21Å; L58-F64 HydrophobicContact CD2-CE1 3.99Å; L58-F64 HydrophobicContact CD2-CZ 3.84Å; L58-F64 HydrophobicContact CG-CE1 4.44Å
59	Q	51.5	Low	49.9	Very low	108 Å²	108	72.6 Å²	72.6	51%	0.505	45%	0.447	S	S	.	.			trans	-74.9	119.3	169.1	-163.8	172.1	1.8	0	0	108.3	F40 T61 F64	F40-Q59 HydrophobicContact CB-CB 3.96Å; F40-Q59 HydrophobicContact CB-CG 4.4Å; F40-Q59 VanDerWaalsContact CD1-CA 3.49Å; F40-Q59 HydrophobicContact CD1-CB 3.73Å; F40-Q59 HydrophobicContact CD1-CG 4.35Å; F40-Q59 VanDerWaalsContact CD1-N 3.3Å; F40-Q59 HydrophobicContact CD2-CG 4.41Å; F40-Q59 HydrophobicContact CE1-CB 4.4Å; F40-Q59 HydrophobicContact CG-CB 3.83Å; F40-Q59 HydrophobicContact CG-CG 4.13Å; Q59-T61 HydrophobicContact CB-CG2 4.31Å; Q59-T61 HydrophobicContact CG-CG2 4.02Å; Q59-T61 PolarHBondContact O-N 3.46Å; Q59-F64 WeakPolarHBondContact O-CD2 3.38Å; Q59-F64 WeakPolarHBondContact O-CE2 3.43Å
60	L	44.2	Very low	48	Very low	133 Å²	133	73.3 Å²	73.3	70%	0.696	46%	0.46	S	S	*	.			trans	-69	80.9	169.4	-68.5	171.2	0	0	0	109	L58 F64	L58-L60 PolarHBondContact O-N 2.89Å; L60-F64 HydrophobicContact CD2-CB 4.31Å
61	T	38.3	Very low	46.3	Very low	56 Å²	56	74.4 Å²	74.4	34%	0.344	47%	0.471	S	S	.	.			trans	-82	160.7	164.9	54.6	0	0	0	0	109	Q59 T63 F64	Q59-T61 HydrophobicContact CB-CG2 4.31Å; Q59-T61 HydrophobicContact CG-CG2 4.02Å; Q59-T61 PolarHBondContact O-N 3.46Å; T61-T63 PolarHBondContact O-N 3.34Å; T61-T63 PolarHBondContact OG1-OG1 3.3Å; T61-F64 PolarHBondContact O-N 2.62Å
62	S	34	Very low	44.4	Very low	133 Å²	133	86.2 Å²	86.2	93%	0.93	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-8.6	176.5	53.3	0	0	0	0	114.7
63	T	33.6	Very low	42.4	Very low	118 Å²	118	91.8 Å²	91.8	72%	0.724	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-10.1	175.6	48.3	0	0	0	0	114.2	T61	T61-T63 PolarHBondContact O-N 3.34Å; T61-T63 PolarHBondContact OG1-OG1 3.3Å
64	F	31	Very low	40.3	Very low	57 Å²	57	97.2 Å²	97.2	25%	0.25	58%	0.579	C	S	.	*	S	Bend	trans	-82.4	131.2	168.1	-92.1	-91.1	0	0	0	109.4	L58 Q59 L60 T61 S66	L58-F64 HydrophobicContact CB-CE1 4.4Å; L58-F64 HydrophobicContact CB-CZ 4.45Å; L58-F64 HydrophobicContact CD1-CE1 4.21Å; L58-F64 HydrophobicContact CD2-CE1 3.99Å; L58-F64 HydrophobicContact CD2-CZ 3.84Å; L58-F64 HydrophobicContact CG-CE1 4.44Å; Q59-F64 WeakPolarHBondContact O-CD2 3.38Å; Q59-F64 WeakPolarHBondContact O-CE2 3.43Å; L60-F64 HydrophobicContact CD2-CB 4.31Å; T61-F64 PolarHBondContact O-N 2.62Å; F64-S66 PolarHBondContact O-N 2.96Å
65	P	27.1	Very low	38.3	Very low	110 Å²	110	106.2 Å²	106.2	71%	0.714	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.6	120.8	174	24.8	-30.6	0	0	0	107.9	T67	P65-T67 PolarHBondContact O-N 3.36Å; P65-T67 VanDerWaalsContact O-N 3.1Å
66	S	29.3	Very low	36.4	Very low	107 Å²	107	115.4 Å²	115.4	75%	0.748	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-48.7	122.7	171.2	-45.4	0	0	0	0	107.9	F64 G68	F64-S66 PolarHBondContact O-N 2.96Å; S66-G68 PolarHBondContact O-N 3.39Å
67	T	32	Very low	34.3	Very low	129 Å²	129	118.4 Å²	118.4	79%	0.791	68%	0.675	S	S	*	*			trans	-63.8	91.7	164.1	48.3	0	0	0	0	105.6	P65 L69	P65-T67 PolarHBondContact O-N 3.36Å; P65-T67 VanDerWaalsContact O-N 3.1Å; T67-L69 PolarHBondContact O-N 3.46Å
68	G	26.5	Very low	33	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	71%	0.712	S	S	*	*			trans	-61.5	105	-164	0	0	0	0	0	112.2	S66	S66-G68 PolarHBondContact O-N 3.39Å
69	L	24.4	Very low	31.6	Very low	151 Å²	151	129.7 Å²	129.7	79%	0.791	73%	0.73	S	S	*	*			trans	-102.3	123.2	138	-74.3	168.8	0	0	0	105.9	T67 G71	T67-L69 PolarHBondContact O-N 3.46Å; L69-G71 PolarHBondContact O-N 3.35Å
70	P	27.6	Very low	30.7	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	75%	0.748	S	S	*	*			trans	-64.6	108.3	168.5	26.1	-28.7	0	0	0	106.9	R72	P70-R72 PolarHBondContact O-N 2.75Å
71	G	29.2	Very low	30.1	Very low	62 Å²	62	136.3 Å²	136.3	64%	0.639	75%	0.754	S	S	*	*			trans	-53.4	111.3	164.5	0	0	0	0	0	107.2	L69 H73	L69-G71 PolarHBondContact O-N 3.35Å; G71-H73 VanDerWaalsContact C-N 3.27Å; G71-H73 PolarHBondContact O-N 2.84Å
72	R	27.4	Very low	29.7	Very low	250 Å²	250	138.1 Å²	138.1	94%	0.943	77%	0.77	S	S	*	*			trans	-55.3	101.5	165.6	-90	-173.3	172.6	-149.8	0.4	106	P70 S74	P70-R72 PolarHBondContact O-N 2.75Å; R72-S74 PolarHBondContact O-N 2.84Å
73	H	31	Very low	29.6	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.787	76%	0.76	S	S	*	*			trans	-48.5	118.4	159.1	-79.2	-76.8	0	0	0	106.8	G71 K75	G71-H73 VanDerWaalsContact C-N 3.27Å; G71-H73 PolarHBondContact O-N 2.84Å; H73-K75 PolarHBondContact O-N 2.96Å
74	S	28.8	Very low	29.5	Very low	121 Å²	121	139.9 Å²	139.9	85%	0.846	76%	0.759	S	S	*	*			trans	-59.5	87	165.8	61.8	0	0	0	0	107.7	R72 K76	R72-S74 PolarHBondContact O-N 2.84Å; S74-K76 PolarHBondContact O-N 2.83Å
75	K	31.1	Very low	29.4	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	78%	0.779	S	S	*	*			trans	-74.6	112.5	162.1	-80.4	-171.1	177.4	-179.8	0	106.3	H73	H73-K75 PolarHBondContact O-N 2.96Å
76	K	28	Very low	29.4	Very low	195 Å²	195	144 Å²	144	85%	0.848	79%	0.785	S	S	*	*			trans	-14.4	125.4	164.9	-73.1	173	173	177.3	0	113.9	S74 V78	S74-K76 PolarHBondContact O-N 2.83Å; K76-V78 PolarHBondContact O-N 3.3Å
77	S	27.6	Very low	29.1	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	79%	0.785	S	S	*	*			trans	-15.3	110.2	148.1	152.5	0	0	0	0	113.2
78	V	30.4	Very low	28.8	Very low	138 Å²	138	150.5 Å²	150.5	84%	0.836	79%	0.787	S	S	*	*			trans	-128.3	120.4	147.5	-179.1	0	0	0	0	107.4	K76	K76-V78 PolarHBondContact O-N 3.3Å
79	K	29.6	Very low	28.8	Very low	184 Å²	184	152.4 Å²	152.4	80%	0.8	79%	0.79	S	S	*	*			trans	-77.3	123.4	-172.5	-174.5	-176.3	-168.1	178.6	0	109.4
80	H	32.6	Very low	28.7	Very low	190 Å²	190	154.1 Å²	154.1	88%	0.88	79%	0.787	S	S	*	*			trans	-153.1	148.5	150.2	-96.9	-73.5	0	0	0	111.5
81	K	32.9	Very low	28.6	Very low	190 Å²	190	154 Å²	154	83%	0.826	78%	0.784	S	S	*	*			trans	-85.3	137.7	-155.2	-89.5	177.7	168.4	-177.2	0	115.6
82	S	29.2	Very low	28.4	Very low	95 Å²	95	160.3 Å²	160.3	66%	0.664	80%	0.802	S	S	*	*				46.8	146.3	129.2	68.3	0	0	0	0	125.6
83	H	31.5	Very low	28.3	Very low	157 Å²	157	151.2 Å²	151.2	73%	0.727	79%	0.786	S	S	*	*			trans	91	128.8	167.7	-74.8	-87.4	0	0	0	115.9
84	D	32.5	Very low	27.8	Very low	130 Å²	130	150.8 Å²	150.8	70%	0.695	79%	0.79	S	S	*	*			cis	-161.6	149.9	8.5	-118	-23.5	0	0	0	111.9
85	S	28.1	Very low	27.5	Very low	97 Å²	97	155.8 Å²	155.8	68%	0.678	80%	0.797	S	S	*	*			trans	32.6	119.2	154.2	60.9	0	0	0	0	123.8
86	N	28.1	Very low	27	Very low	157 Å²	157	157.7 Å²	157.7	84%	0.84	80%	0.799	S	S	*	*				-171.6	147.8	104.7	-109.4	-5.8	0	0	0	113
87	E	23.3	Very low	26.8	Very low	160 Å²	160	156 Å²	156	75%	0.748	79%	0.794	S	S	*	*			trans	-44.1	150.4	179.7	-78.5	166.7	121	0	0	116.4
88	Y	25	Very low	26.6	Very low	212 Å²	212	155 Å²	155	83%	0.831	78%	0.784	S	S	*	*				-172.8	120.3	118.8	-87.6	-65	0	0	0	110.6	Y90	Y88-Y90 HydrophobicContact CD1-CD2 4.3Å; Y88-Y90 AromaticContact CD1-CE2 3.92Å; Y88-Y90 HydrophobicContact CD1-CE2 3.92Å; Y88-Y90 HydrophobicContact CE1-CE2 4.46Å
89	S	25.8	Very low	26.3	Very low	107 Å²	107	154.5 Å²	154.5	75%	0.748	78%	0.784	S	S	*	*			trans	-101.3	117.4	169.3	157.4	0	0	0	0	108.8
90	Y	23.8	Very low	26.2	Very low	188 Å²	188	153.1 Å²	153.1	74%	0.737	78%	0.784	S	S	*	*			trans	-154.1	105.2	164.3	-77.8	-70.2	0	0	0	108.2	Y88	Y88-Y90 HydrophobicContact CD1-CD2 4.3Å; Y88-Y90 AromaticContact CD1-CE2 3.92Å; Y88-Y90 HydrophobicContact CD1-CE2 3.92Å; Y88-Y90 HydrophobicContact CE1-CE2 4.46Å
91	T	23.8	Very low	25.9	Very low	120 Å²	120	152.9 Å²	152.9	74%	0.736	78%	0.777	S	S	*	*				80.4	126.1	97.1	52.5	0	0	0	0	116	G93	T91-G93 PolarHBondContact O-N 2.8Å
92	L	26.8	Very low	25.8	Very low	193 Å²	193	150.3 Å²	150.3	100%	1.01	78%	0.777	S	S	*	*	S	Bend	trans	-58.2	107	171.1	-171.2	78.8	0	0	0	110.4
93	G	23.6	Very low	25.6	Very low	59 Å²	59	149.4 Å²	149.4	61%	0.608	78%	0.776	S	S	*	*			trans	140	94	171.7	0	0	0	0	0	112.5	T91	T91-G93 PolarHBondContact O-N 2.8Å
94	D	22.3	Very low	25.6	Very low	162 Å²	162	151.1 Å²	151.1	87%	0.866	78%	0.781	S	S	*	*			trans	-165.9	110	156.1	-98.7	-22.6	0	0	0	110.1	R96	D94-R96 PolarHBondContact O-N 2.77Å; D94-R96 VanDerWaalsContact O-N 3.13Å
95	F	21.3	Very low	25.5	Very low	225 Å²	225	150.9 Å²	150.9	99%	0.987	79%	0.787	S	S	*	*			trans	-66.9	104.1	163.4	-100.5	-97.2	0	0	0	107.9
96	R	20.9	Very low	25.5	Very low	238 Å²	238	152.8 Å²	152.8	90%	0.898	79%	0.789	S	S	*	*			trans	-101.6	96.3	173.7	-153	179.6	-172	-168.7	4.3	109.3	D94	D94-R96 PolarHBondContact O-N 2.77Å; D94-R96 VanDerWaalsContact O-N 3.13Å
97	E	23.4	Very low	25.6	Very low	160 Å²	160	149.2 Å²	149.2	75%	0.748	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.2	126.7	171.8	-165.8	175.1	-165.6	0	0	109.4
98	P	23.6	Very low	25.6	Very low	92 Å²	92	152.8 Å²	152.8	60%	0.597	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.6	148.6	-175.3	28.7	-26.3	0	0	0	111.8	L100	P98-L100 PolarHBondContact O-N 2.78Å
99	P	24.4	Very low	25.7	Very low	128 Å²	128	148.4 Å²	148.4	83%	0.831	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.2	-167	28	-33.4	0	0	0	111.7	Y101	P99-Y101 PolarHBondContact O-N 2.82Å
100	L	27.3	Very low	25.8	Very low	156 Å²	156	153.1 Å²	153.1	82%	0.817	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.7	123.7	171.4	-69.6	162	0	0	0	109.4	P98	P98-L100 PolarHBondContact O-N 2.78Å
101	Y	27.2	Very low	25.8	Very low	184 Å²	184	149.4 Å²	149.4	72%	0.722	79%	0.794	S	S	*	*			trans	88.9	121.4	163.9	-160.1	-103.5	0	0	0	118	P99 A103	P99-Y101 PolarHBondContact O-N 2.82Å; Y101-A103 HydrophobicContact CE1-CB 4.45Å
102	T	29	Very low	25.9	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	79%	0.792	S	S	*	*			trans	-134.5	133.3	157.2	-18.2	0	0	0	0	107.9
103	A	26.8	Very low	26	Very low	77 Å²	77	149.4 Å²	149.4	64%	0.636	78%	0.781	S	S	*	*			trans	-64.1	146.3	-167.6	0	0	0	0	0	113.9	Y101	Y101-A103 HydrophobicContact CE1-CB 4.45Å
104	K	30.2	Very low	26.1	Very low	193 Å²	193	155.7 Å²	155.7	84%	0.839	79%	0.786	S	S	*	*			trans	-86.4	150.6	177.9	-74.1	-169.9	178.4	-176.5	0	112.3	N106	K104-N106 PolarHBondContact O-N 3.38Å
105	P	30.2	Very low	26.2	Very low	125 Å²	125	157 Å²	157	81%	0.812	79%	0.787	S	S	*	*	S	Bend	trans	-87.5	-1.2	-168.2	6.9	11.8	0	0	0	115.6
106	N	28.7	Very low	26.5	Very low	136 Å²	136	154.9 Å²	154.9	73%	0.727	77%	0.773	S	S	*	*	S	Bend	trans	-134.7	39.9	-164.1	-56.2	28.4	0	0	0	116	K104 R108	K104-N106 PolarHBondContact O-N 3.38Å; N106-R108 PolarHBondContact O-N 2.86Å
107	G	31.3	Very low	26.9	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	76%	0.764	S	S	*	*			trans	56.2	22.7	150.1	0	0	0	0	0	120.8
108	R	22.5	Very low	27.5	Very low	236 Å²	236	144.4 Å²	144.4	89%	0.891	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-89.9	125.1	172	-73.7	-170.1	-179	-173.1	1	111.2	N106	N106-R108 PolarHBondContact O-N 2.86Å
109	P	27.4	Very low	27.8	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.4	138.6	177	25.8	-30.9	0	0	0	109.8
110	R	28.3	Very low	28.3	Very low	205 Å²	205	143.5 Å²	143.5	77%	0.774	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-54.4	145.1	166	-77.7	-175.6	178	-174	0.3	108.7
111	P	23.7	Very low	28.6	Very low	111 Å²	111	141 Å²	141	72%	0.721	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-54.2	140	160.5	-16	29.1	0	0	0	108.1	R113	P111-R113 PolarHBondContact O-N 3.09Å
112	P	25.6	Very low	29.4	Very low	107 Å²	107	135.9 Å²	135.9	70%	0.695	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-48.2	139.9	175.1	-23.6	31.8	0	0	0	109.4	W114	P112-W114 PolarHBondContact O-N 2.92Å
113	R	28.9	Very low	29.5	Very low	205 Å²	205	129.7 Å²	129.7	77%	0.774	67%	0.668	S	S	*	*			trans	-59	105.9	176	-164.2	178.7	-170.4	172.1	1	107.7	P111 Q115	P111-R113 PolarHBondContact O-N 3.09Å; R113-Q115 VanDerWaalsContact C-N 3.33Å; R113-Q115 PolarHBondContact O-N 3.06Å
114	W	25.3	Very low	29.7	Very low	191 Å²	191	134.1 Å²	134.1	72%	0.723	67%	0.668	S	S	*	*			trans	-72.5	96.4	171.8	-75.1	37.9	0	0	0	106.7	P112 R116	P112-W114 PolarHBondContact O-N 2.92Å; W114-R116 PolarHBondContact O-N 3.47Å
115	Q	24.2	Very low	30.3	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.883	66%	0.664	S	S	*	*			trans	-55.2	102.4	161	-78.7	175.7	-35.3	0	0	107.3	R113	R113-Q115 VanDerWaalsContact C-N 3.33Å; R113-Q115 PolarHBondContact O-N 3.06Å
116	R	27.9	Very low	30.3	Very low	182 Å²	182	131.9 Å²	131.9	69%	0.687	65%	0.652	S	S	*	*			trans	-100	93.6	168.6	-72.5	-170.6	174.2	-172.8	-0.7	107	W114	W114-R116 PolarHBondContact O-N 3.47Å
117	G	29.6	Very low	30.2	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-71.1	153.8	175.7	0	0	0	0	0	112.4
118	L	35	Very low	30.1	Very low	110 Å²	110	131.5 Å²	131.5	58%	0.576	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.3	142.5	176.5	-84.6	142.9	0	0	0	112.2	L122	L118-L122 HydrophobicContact CB-CB 3.74Å; L118-L122 HydrophobicContact CB-CD1 4.06Å; L118-L122 HydrophobicContact CB-CG 4.3Å; L118-L122 HydrophobicContact CD1-CD2 4.39Å; L118-L122 HydrophobicContact CD2-CD1 3.34Å; L118-L122 HydrophobicContact CD2-CD2 4.13Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 HydrophobicContact CG-CD1 4.25Å
119	P	31	Very low	30.3	Very low	76 Å²	76	126.6 Å²	126.6	49%	0.494	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-68.2	166.7	-172	-19.3	31.8	0	0	0	115.3	Q121 L122 S123	P119-Q121 PolarHBondContact O-N 3.29Å; P119-L122 CarbonylContact O-C 3.58Å; P119-L122 VanDerWaalsContact O-CA 3.32Å; P119-L122 WeakPolarHBondContact O-CA 3.22Å; P119-L122 WeakPolarHBondContact O-CB 3.36Å; P119-L122 PolarHBondContact O-N 2.87Å; P119-S123 PolarHBondContact O-N 3.34Å
120	K	33.4	Very low	30.3	Very low	124 Å²	124	127.6 Å²	127.6	54%	0.539	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	10.6	-161.5	-79.1	-144.1	166.5	175.3	0	120.5	S123 R124	K120-S123 VanDerWaalsContact C-CB 3.44Å; K120-S123 WeakPolarHBondContact CA-OG 3.33Å; K120-S123 WeakPolarHBondContact CB-OG 3.39Å; K120-S123 WeakPolarHBondContact CD-OG 3.37Å; K120-S123 VanDerWaalsContact CG-CB 3.48Å; K120-S123 WeakPolarHBondContact CG-OG 3.2Å; K120-S123 CarbonylContact O-C 3.33Å; K120-S123 VanDerWaalsContact O-CA 3.25Å; K120-S123 WeakPolarHBondContact O-CA 3.4Å; K120-S123 WeakPolarHBondContact O-CB 3.26Å; K120-S123 PolarHBondContact O-N 2.91Å; K120-S123 VanDerWaalsContact O-O 3.07Å; K120-S123 PolarHBondContact O-OG 3.43Å; K120-R124 PolarHBondContact O-N 3.14Å
121	Q	35	Very low	30.2	Very low	104 Å²	104	123.3 Å²	123.3	49%	0.486	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.5	-26.8	168.3	-75.4	152.9	-20.2	0	0	112.1	P119 S123 R124 T162	P119-Q121 PolarHBondContact O-N 3.29Å; Q121-S123 VanDerWaalsContact N-N 3.15Å; Q121-R124 PolarHBondContact O-N 2.78Å; Q121-T162 VanDerWaalsContact OE1-CG2 3.3Å
122	L	43.5	Very low	30.3	Very low	76 Å²	76	123 Å²	123	40%	0.398	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	-8.2	141.7	-69.5	128.1	0	0	0	111.2	L118 P119 L125 F126	L118-L122 HydrophobicContact CB-CB 3.74Å; L118-L122 HydrophobicContact CB-CD1 4.06Å; L118-L122 HydrophobicContact CB-CG 4.3Å; L118-L122 HydrophobicContact CD1-CD2 4.39Å; L118-L122 HydrophobicContact CD2-CD1 3.34Å; L118-L122 HydrophobicContact CD2-CD2 4.13Å; L118-L122 HydrophobicContact CD2-CG 4.16Å; L118-L122 HydrophobicContact CG-CD1 4.25Å; P119-L122 CarbonylContact O-C 3.58Å; P119-L122 VanDerWaalsContact O-CA 3.32Å; P119-L122 WeakPolarHBondContact O-CA 3.22Å; P119-L122 WeakPolarHBondContact O-CB 3.36Å; P119-L122 PolarHBondContact O-N 2.87Å; L122-L125 HydrophobicContact CD2-CD1 4.31Å; L122-L125 CarbonylContact O-C 3.49Å; L122-L125 WeakPolarHBondContact O-CB 3.25Å; L122-F126 VanDerWaalsContact C-CD2 3.46Å; L122-F126 WeakPolarHBondContact O-CD2 3.49Å; L122-F126 WeakPolarHBondContact O-CE2 3.5Å
123	S	31.1	Very low	30.2	Very low	6 Å²	6	124.9 Å²	124.9	4%	0.042	63%	0.634	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91	30.4	149.3	110.1	0	0	0	0	115.6	P119 K120 Q121 F126 S127	P119-S123 PolarHBondContact O-N 3.34Å; K120-S123 VanDerWaalsContact C-CB 3.44Å; K120-S123 WeakPolarHBondContact CA-OG 3.33Å; K120-S123 WeakPolarHBondContact CB-OG 3.39Å; K120-S123 WeakPolarHBondContact CD-OG 3.37Å; K120-S123 VanDerWaalsContact CG-CB 3.48Å; K120-S123 WeakPolarHBondContact CG-OG 3.2Å; K120-S123 CarbonylContact O-C 3.33Å; K120-S123 VanDerWaalsContact O-CA 3.25Å; K120-S123 WeakPolarHBondContact O-CA 3.4Å; K120-S123 WeakPolarHBondContact O-CB 3.26Å; K120-S123 PolarHBondContact O-N 2.91Å; K120-S123 VanDerWaalsContact O-O 3.07Å; K120-S123 PolarHBondContact O-OG 3.43Å; Q121-S123 VanDerWaalsContact N-N 3.15Å; S123-F126 CarbonylContact C-O 3.58Å; S123-F126 VanDerWaalsContact CA-CB 3.48Å; S123-F126 WeakPolarHBondContact CB-O 3.29Å; S123-F126 CarbonylContact O-C 2.92Å; S123-F126 VanDerWaalsContact O-CA 3.3Å; S123-F126 WeakPolarHBondContact O-CA 3.44Å; S123-F126 PolarHBondContact O-N 3.3Å; S123-F126 PolarHBondContact OG-O 3.07Å; S123-S127 PolarHBondContact O-N 3.32Å
124	R	29.9	Very low	29.9	Very low	171 Å²	171	118.6 Å²	118.6	65%	0.645	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-5.8	149.6	-65.4	-171.6	-176.5	142.9	0.6	111.8	K120 Q121 F126 S127	K120-R124 PolarHBondContact O-N 3.14Å; Q121-R124 PolarHBondContact O-N 2.78Å; R124-F126 VanDerWaalsContact N-N 3.14Å; R124-S127 WeakPolarHBondContact CG-O 3.09Å
125	L	43.2	Very low	29.7	Very low	142 Å²	142	116 Å²	116	74%	0.743	64%	0.643	S	S	*	*	S	Bend		-66.3	3.8	124.2	-79.2	161.1	0	0	0	115	L122	L122-L125 HydrophobicContact CD2-CD1 4.31Å; L122-L125 CarbonylContact O-C 3.49Å; L122-L125 WeakPolarHBondContact O-CB 3.25Å
126	F	30.7	Very low	29.6	Very low	128 Å²	128	112 Å²	112	56%	0.561	64%	0.636	S	S	*	*	S	Bend	trans	-154	55.2	167.6	-15.2	-95.2	0	0	0	113.7	L122 S123 R124	L122-F126 VanDerWaalsContact C-CD2 3.46Å; L122-F126 WeakPolarHBondContact O-CD2 3.49Å; L122-F126 WeakPolarHBondContact O-CE2 3.5Å; S123-F126 CarbonylContact C-O 3.58Å; S123-F126 VanDerWaalsContact CA-CB 3.48Å; S123-F126 WeakPolarHBondContact CB-O 3.29Å; S123-F126 CarbonylContact O-C 2.92Å; S123-F126 VanDerWaalsContact O-CA 3.3Å; S123-F126 WeakPolarHBondContact O-CA 3.44Å; S123-F126 PolarHBondContact O-N 3.3Å; S123-F126 PolarHBondContact OG-O 3.07Å; R124-F126 VanDerWaalsContact N-N 3.14Å
127	S	27.2	Very low	29.4	Very low	85 Å²	85	112.3 Å²	112.3	59%	0.594	64%	0.642	S	S	*	*			trans	120.2	122.1	154.9	-148.2	0	0	0	0	121.4	S123 R124	S123-S127 PolarHBondContact O-N 3.32Å; R124-S127 WeakPolarHBondContact CG-O 3.09Å
128	N	28.4	Very low	29.2	Very low	125 Å²	125	119.2 Å²	119.2	67%	0.668	65%	0.653	S	S	*	*			trans	-123	129	-171.8	-149.2	5.7	0	0	0	108.1
129	N	27.9	Very low	28.6	Very low	134 Å²	134	124.9 Å²	124.9	72%	0.717	67%	0.667	S	S	*	*			trans	-169.8	112.1	153.7	-103.6	-19.4	0	0	0	115.3
130	Q	27.2	Very low	28.2	Very low	140 Å²	140	129 Å²	129	65%	0.654	68%	0.68	S	S	*	*			trans	17.1	118.9	143.7	-50.6	-176.2	16.8	0	0	121.3
131	S	26.1	Very low	27.7	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	69%	0.694	S	S	*	*				179.5	143.6	107.5	54.4	0	0	0	0	112.9
132	S	25.6	Very low	27	Very low	106 Å²	106	134.3 Å²	134.3	74%	0.741	71%	0.707	S	S	*	*	S	Bend	trans	76.8	99.4	171.9	66.7	0	0	0	0	120
133	T	23.5	Very low	26.1	Very low	145 Å²	145	137.9 Å²	137.9	89%	0.89	73%	0.732	S	S	*	*			trans	59.8	102.2	140.2	46.7	0	0	0	0	120.2
134	G	22.4	Very low	25.7	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	77%	0.771	S	S	*	*			trans	148	96.1	151.3	0	0	0	0	0	115.8
135	C	21.4	Very low	25.3	Very low	137 Å²	137	142.9 Å²	142.9	93%	0.926	78%	0.78	S	S	*	*			trans	65.3	106.6	156.9	-59.2	0	0	0	0	119.4
136	S	21.6	Very low	24.3	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	78%	0.782	S	S	*	*			trans	-79.9	134.9	177.3	53.9	0	0	0	0	113.8
137	F	23.4	Very low	24	Very low	189 Å²	189	141.3 Å²	141.3	83%	0.829	79%	0.791	S	S	*	*	S	Bend	trans	-133.2	-0.3	151.4	-92.4	-71.3	0	0	0	116.7
138	F	25.3	Very low	23.8	Very low	213 Å²	213	143.8 Å²	143.8	93%	0.934	80%	0.802	S	S	*	*			trans	-147.7	131.4	169.7	-66.2	-76.2	0	0	0	112.4
139	R	22	Very low	23.6	Very low	230 Å²	230	142.9 Å²	142.9	87%	0.868	80%	0.801	S	S	*	*			trans	-112.7	121.8	-169.2	-159	-177.2	-165.9	-159.4	5.1	111
140	H	22.9	Very low	23.4	Very low	162 Å²	162	142.7 Å²	142.7	75%	0.75	81%	0.805	S	S	*	*			trans	69.3	146.2	152	-77.5	8.5	0	0	0	119.6
141	T	22.4	Very low	23.4	Very low	137 Å²	137	139.8 Å²	139.8	84%	0.84	80%	0.798	S	S	*	*			cis	-147.4	165.7	28.2	39.5	0	0	0	0	114.4
142	R	21.9	Very low	23.5	Very low	202 Å²	202	137.6 Å²	137.6	76%	0.762	78%	0.78	S	S	*	*			trans	-74.9	147.4	-170.5	-65.8	169.7	164	176.6	-5	116.9
143	T	23.8	Very low	23.7	Very low	151 Å²	151	140.4 Å²	140.4	93%	0.926	78%	0.782	S	S	*	*			trans	-160.3	154.2	139	43	0	0	0	0	112.2
144	L	22.9	Very low	24	Very low	164 Å²	164	135.5 Å²	135.5	86%	0.859	75%	0.753	S	S	*	*			trans	-98.1	136.4	-163.9	-68.1	152.8	0	0	0	113.6
145	S	22.2	Very low	24.3	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	73%	0.73	S	S	*	*			trans	-174.6	141.4	147	48.2	0	0	0	0	111
146	S	22.3	Very low	24.8	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	71%	0.713	S	S	*	*			trans	-115.8	127.7	-172.1	96.2	0	0	0	0	111.8
147	V	24.5	Very low	25.3	Very low	125 Å²	125	130 Å²	130	76%	0.758	69%	0.69	S	S	*	*			trans	-137.6	130.7	165.7	179.8	0	0	0	0	108.6	V149	V147-V149 HydrophobicContact CG1-CG2 4.35Å
148	V	22.4	Very low	25.6	Very low	137 Å²	137	122.3 Å²	122.3	83%	0.83	66%	0.661	S	S	*	*			trans	-96.4	127.5	-178.3	178.9	0	0	0	0	109.6
149	V	24.9	Very low	26	Very low	107 Å²	107	116.1 Å²	116.1	65%	0.648	64%	0.641	S	S	*	*			trans	-136.7	136.1	175.1	-176.7	0	0	0	0	109.2	V147	V147-V149 HydrophobicContact CG1-CG2 4.35Å
150	T	22.8	Very low	26.4	Very low	130 Å²	130	108.6 Å²	108.6	80%	0.798	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-83.7	130.1	-176.6	27.1	0	0	0	0	112.5
151	P	26.2	Very low	26.8	Very low	78 Å²	78	104.5 Å²	104.5	51%	0.506	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-76.1	139.5	-177.1	27.8	-33.7	0	0	0	113.6	K156	P151-K156 HydrophobicContact CB-CG 3.95Å; P151-K156 HydrophobicContact CG-CD 4.45Å; P151-K156 HydrophobicContact CG-CG 4.06Å
152	T	28.8	Very low	27.2	Very low	70 Å²	70	101.5 Å²	101.5	43%	0.429	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-72.4	159.6	167.9	62.3	0	0	0	0	111.4	S154 S155 K156	T152-S154 VanDerWaalsContact C-N 3.28Å; T152-S154 PolarHBondContact O-N 2.75Å; T152-S155 WeakPolarHBondContact CA-OG 3.23Å; T152-S155 PolarHBondContact N-OG 3.23Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 2.99Å; T152-S155 WeakPolarHBondContact OG1-CB 3.46Å; T152-S155 PolarHBondContact OG1-N 2.82Å; T152-S155 PolarHBondContact OG1-OG 3.18Å; T152-K156 PolarHBondContact O-N 2.93Å
153	Q	30	Very low	27.6	Very low	165 Å²	165	97.4 Å²	97.4	77%	0.771	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-35.2	-178.1	-146.1	-178.9	14	0	0	112.9	K156 A157	Q153-K156 PolarHBondContact O-N 3.3Å; Q153-A157 PolarHBondContact O-N 2.96Å; Q153-A157 VanDerWaalsContact O-N 3.08Å
154	S	30	Very low	27.8	Very low	41 Å²	41	92.7 Å²	92.7	29%	0.287	57%	0.569	S	S	.	*	H	α-helix	trans	-72.1	-32.1	175.1	28.4	0	0	0	0	113.6	T152 A157 A158	T152-S154 VanDerWaalsContact C-N 3.28Å; T152-S154 PolarHBondContact O-N 2.75Å; S154-A157 PolarHBondContact O-N 3.09Å; S154-A158 PolarHBondContact O-N 2.85Å; S154-A158 VanDerWaalsContact O-N 3.1Å
155	S	29.6	Very low	28.1	Very low	38 Å²	38	92.6 Å²	92.6	27%	0.266	57%	0.57	S	S	.	*	H	α-helix	trans	-76.2	-28.2	171.9	53.9	0	0	0	0	112.8	T152 V159	T152-S155 WeakPolarHBondContact CA-OG 3.23Å; T152-S155 PolarHBondContact N-OG 3.23Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 2.99Å; T152-S155 WeakPolarHBondContact OG1-CB 3.46Å; T152-S155 PolarHBondContact OG1-N 2.82Å; T152-S155 PolarHBondContact OG1-OG 3.18Å; S155-V159 VanDerWaalsContact O-CG2 3.3Å; S155-V159 WeakPolarHBondContact O-CG2 3.43Å; S155-V159 PolarHBondContact O-N 3.46Å
156	K	31	Very low	28.3	Very low	130 Å²	130	90.5 Å²	90.5	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-66.3	-38	167.1	-70.7	-173.6	-177.5	-178.8	0	112.2	P151 T152 Q153 A160	P151-K156 HydrophobicContact CB-CG 3.95Å; P151-K156 HydrophobicContact CG-CD 4.45Å; P151-K156 HydrophobicContact CG-CG 4.06Å; T152-K156 PolarHBondContact O-N 2.93Å; Q153-K156 PolarHBondContact O-N 3.3Å; K156-A160 PolarHBondContact O-N 3.42Å
157	A	31.6	Very low	28.5	Very low	31 Å²	31	85.7 Å²	85.7	26%	0.256	52%	0.517	S	S	.	.	H	α-helix	trans	-67	-43.7	176.9	0	0	0	0	0	112.3	Q153 S154 V159 A160 H161	Q153-A157 PolarHBondContact O-N 2.96Å; Q153-A157 VanDerWaalsContact O-N 3.08Å; S154-A157 PolarHBondContact O-N 3.09Å; A157-V159 VanDerWaalsContact C-N 3.31Å; A157-V159 PolarHBondContact O-N 2.78Å; A157-A160 WeakPolarHBondContact O-CB 3.07Å; A157-A160 PolarHBondContact O-N 3.17Å; A157-A160 VanDerWaalsContact O-N 3.13Å; A157-H161 PolarHBondContact O-CD2 3.18Å
158	A	30.9	Very low	28.7	Very low	27 Å²	27	84 Å²	84	22%	0.223	50%	0.499	C	S	.	.	H	α-helix	trans	-60.1	-38.9	176.4	0	0	0	0	0	112.7	S154 A160 H161 I169	S154-A158 PolarHBondContact O-N 2.85Å; S154-A158 VanDerWaalsContact O-N 3.1Å; A158-A160 VanDerWaalsContact C-N 3.33Å; A158-A160 PolarHBondContact O-N 3.48Å; A158-H161 PolarHBondContact O-N 3.2Å; A158-I169 HydrophobicContact CB-CG1 4.25Å
159	V	31.8	Very low	29.2	Very low	84 Å²	84	80.9 Å²	80.9	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-29	176.9	172.5	0	0	0	0	112.5	S155 A157 H161 T162	S155-V159 VanDerWaalsContact O-CG2 3.3Å; S155-V159 WeakPolarHBondContact O-CG2 3.43Å; S155-V159 PolarHBondContact O-N 3.46Å; A157-V159 VanDerWaalsContact C-N 3.31Å; A157-V159 PolarHBondContact O-N 2.78Å; V159-H161 PolarHBondContact O-N 2.6Å; V159-T162 PolarHBondContact O-OG1 3.44Å; V159-T162 VanDerWaalsContact O-OG1 3.06Å
160	A	31.6	Very low	29.4	Very low	71 Å²	71	82.9 Å²	82.9	59%	0.587	47%	0.474	S	S	*	.	H	α-helix	trans	-70.9	-20	177.2	0	0	0	0	0	113.1	K156 A157 A158	K156-A160 PolarHBondContact O-N 3.42Å; A157-A160 WeakPolarHBondContact O-CB 3.07Å; A157-A160 PolarHBondContact O-N 3.17Å; A157-A160 VanDerWaalsContact O-N 3.13Å; A158-A160 VanDerWaalsContact C-N 3.33Å; A158-A160 PolarHBondContact O-N 3.48Å
161	H	30.1	Very low	29.9	Very low	76 Å²	76	79.5 Å²	79.5	35%	0.352	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.8	-177.7	-69.7	-68.1	0	0	0	114.5	A157 A158 V159 S163 A164	A157-H161 PolarHBondContact O-CD2 3.18Å; A158-H161 PolarHBondContact O-N 3.2Å; V159-H161 PolarHBondContact O-N 2.6Å; H161-S163 PolarHBondContact O-N 2.99Å; H161-A164 PolarHBondContact O-N 3.04Å; H161-A164 VanDerWaalsContact O-N 3.15Å
162	T	31.4	Very low	30.2	Very low	74 Å²	74	79.6 Å²	79.6	45%	0.454	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.8	-179.4	55.6	0	0	0	0	114.6	Q121 V159	Q121-T162 VanDerWaalsContact OE1-CG2 3.3Å; V159-T162 PolarHBondContact O-OG1 3.44Å; V159-T162 VanDerWaalsContact O-OG1 3.06Å
163	S	31.4	Very low	30.2	Very low	117 Å²	117	81.8 Å²	81.8	82%	0.818	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	5.1	177.8	46.7	0	0	0	0	113.3	H161	H161-S163 PolarHBondContact O-N 2.99Å
164	A	27.3	Very low	30.4	Very low	52 Å²	52	76.9 Å²	76.9	43%	0.43	44%	0.439	S	S	.	.	S	Bend	trans	-102	141.6	175.2	0	0	0	0	0	110	H161 I166	H161-A164 PolarHBondContact O-N 3.04Å; H161-A164 VanDerWaalsContact O-N 3.15Å; A164-I166 VanDerWaalsContact CB-O 3.31Å; A164-I166 WeakPolarHBondContact CB-O 3.49Å; A164-I166 PolarHBondContact O-N 3.36Å
165	D	29.4	Very low	30.3	Very low	162 Å²	162	84 Å²	84	87%	0.866	46%	0.459	S	S	*	.	S	Bend	trans	-58.4	-14	174.1	-70.7	-37.4	0	0	0	113
166	I	27.2	Very low	30.2	Very low	73 Å²	73	84.5 Å²	84.5	37%	0.374	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.6	177.9	-57.6	173.2	0	0	0	108.4	A164 F168	A164-I166 VanDerWaalsContact CB-O 3.31Å; A164-I166 WeakPolarHBondContact CB-O 3.49Å; A164-I166 PolarHBondContact O-N 3.36Å; I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE1 4.47Å; I166-F168 HydrophobicContact CG2-CE2 3.49Å; I166-F168 VanDerWaalsContact CG2-CE2 3.49Å; I166-F168 HydrophobicContact CG2-CZ 3.67Å
167	G	26.6	Very low	30	Very low	12 Å²	12	80.6 Å²	80.6	12%	0.124	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.1	178	0	0	0	0	0	112.5
168	F	28.7	Very low	29.7	Very low	89 Å²	89	86.4 Å²	86.4	39%	0.39	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.5	175.9	-62.1	-82.8	0	0	0	110.1	I166 Y170 M181	I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE1 4.47Å; I166-F168 HydrophobicContact CG2-CE2 3.49Å; I166-F168 VanDerWaalsContact CG2-CE2 3.49Å; I166-F168 HydrophobicContact CG2-CZ 3.67Å; F168-Y170 PolarHBondContact O-N 3.45Å; F168-M181 HydrophobicContact CD1-CE 4.37Å
169	I	32.3	Very low	29.4	Very low	71 Å²	71	88.8 Å²	88.8	36%	0.364	52%	0.515	S	S	.	.			trans	-87.1	87.2	163.5	-60.4	177.5	0	0	0	106.4	V45 A158 D171	V45-I169 HydrophobicContact CG2-CB 4.15Å; V45-I169 HydrophobicContact CG2-CD1 3.79Å; V45-I169 HydrophobicContact CG2-CG1 4.49Å; V45-I169 HydrophobicContact CG2-CG2 4.34Å; A158-I169 HydrophobicContact CB-CG1 4.25Å; I169-D171 PolarHBondContact O-N 3.02Å
170	Y	29.1	Very low	29.3	Very low	150 Å²	150	86.5 Å²	86.5	59%	0.588	51%	0.505	S	S	*	.			trans	-80.8	112.6	175.8	-150.3	-90.5	0	0	0	108.9	F168	F168-Y170 PolarHBondContact O-N 3.45Å
171	D	33	Very low	29.1	Very low	58 Å²	58	89 Å²	89	31%	0.31	51%	0.506	S	S	.	.			trans	-96.7	111.8	161.8	-175.6	-10	0	0	0	107.4	I169 D173 M174	I169-D171 PolarHBondContact O-N 3.02Å; D171-D173 PolarHBondContact O-N 3Å; D171-D173 WeakPolarHBondContact OD1-CB 3.21Å; D171-D173 PolarHBondContact OD1-N 3.21Å; D171-M174 HydrophobicContact CB-CB 4.33Å; D171-M174 HydrophobicContact CB-CE 4.1Å; D171-M174 HydrophobicContact CB-CG 3.79Å; D171-M174 HydrophobicContact CB-SD 4.33Å; D171-M174 WeakPolarHBondContact O-CB 3.39Å; D171-M174 PolarHBondContact O-N 2.74Å
172	P	31.6	Very low	28.9	Very low	81 Å²	81	90 Å²	90	53%	0.526	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-60.1	-15.6	-179.6	22.6	-30.6	0	0	0	113.5
173	D	30.4	Very low	28.7	Very low	116 Å²	116	89.6 Å²	89.6	62%	0.62	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-84.6	-3.7	173.6	-69.5	-27.7	0	0	0	113.9	D171 R175	D171-D173 PolarHBondContact O-N 3Å; D171-D173 WeakPolarHBondContact OD1-CB 3.21Å; D171-D173 PolarHBondContact OD1-N 3.21Å; D173-R175 VanDerWaalsContact C-N 3.31Å; D173-R175 PolarHBondContact O-N 3.14Å
174	M	33.7	Very low	28.3	Very low	61 Å²	61	91 Å²	91	30%	0.3	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-90.8	19.2	178.1	-69.7	-156.6	-45.7	0	0	114.2	Y43 D171 A176	Y43-M174 HydrophobicContact CD1-SD 4.03Å; Y43-M174 HydrophobicContact CE1-SD 4.46Å; D171-M174 HydrophobicContact CB-CB 4.33Å; D171-M174 HydrophobicContact CB-CE 4.1Å; D171-M174 HydrophobicContact CB-CG 3.79Å; D171-M174 HydrophobicContact CB-SD 4.33Å; D171-M174 WeakPolarHBondContact O-CB 3.39Å; D171-M174 PolarHBondContact O-N 2.74Å; M174-A176 PolarHBondContact O-N 3.29Å
175	R	27.7	Very low	28.2	Very low	192 Å²	192	92.7 Å²	92.7	73%	0.725	52%	0.524	S	S	*	.			trans	-74.3	72.3	178	-147.4	175.6	-174.3	-143.7	2.3	111.8	D173	D173-R175 VanDerWaalsContact C-N 3.31Å; D173-R175 PolarHBondContact O-N 3.14Å
176	A	27.8	Very low	27.9	Very low	48 Å²	48	90.7 Å²	90.7	40%	0.397	52%	0.52	S	S	.	.	S	Bend	trans	-134.4	78.3	159.2	0	0	0	0	0	108.6	M174	M174-A176 PolarHBondContact O-N 3.29Å
177	G	27.3	Very low	27.8	Very low	48 Å²	48	93 Å²	93	50%	0.495	54%	0.538	S	S	.	.			trans	137.1	70.7	172.6	0	0	0	0	0	113.7	G179	G177-G179 VanDerWaalsContact C-N 3.29Å; G177-G179 PolarHBondContact O-N 3.26Å
178	I	24.6	Very low	27.7	Very low	153 Å²	153	104 Å²	104	79%	0.785	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	98.9	154.3	-60.8	172.6	0	0	0	105
179	G	25.3	Very low	27.5	Very low	77 Å²	77	104.8 Å²	104.8	79%	0.794	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.3	-17.6	-178.8	0	0	0	0	0	120.9	G177	G177-G179 VanDerWaalsContact C-N 3.29Å; G177-G179 PolarHBondContact O-N 3.26Å
180	A	27.9	Very low	27	Very low	36 Å²	36	104.9 Å²	104.9	30%	0.298	61%	0.612	S	S	.	*	S	Bend	trans	-123.7	2.4	-168.8	0	0	0	0	0	117.4
181	M	27.4	Very low	26.8	Very low	123 Å²	123	102.7 Å²	102.7	61%	0.606	62%	0.619	S	S	*	*			trans	-123.2	69.7	-178.5	-61.3	-168.9	-50.2	0	0	111.7	F168	F168-M181 HydrophobicContact CD1-CE 4.37Å
182	A	26.2	Very low	26.4	Very low	97 Å²	97	105.2 Å²	105.2	80%	0.802	64%	0.637	S	S	*	*			trans	-126.6	86.8	159	0	0	0	0	0	106.7	N184	A182-N184 PolarHBondContact O-N 2.93Å
183	V	27.2	Very low	26	Very low	65 Å²	65	110 Å²	110	39%	0.394	65%	0.652	S	S	.	*			trans	-76.4	105.7	163.5	-177.7	0	0	0	0	105.3	Y22 D185	Y22-V183 HydrophobicContact CE2-CG1 4.5Å; V183-D185 PolarHBondContact O-N 3.35Å; V183-D185 VanDerWaalsContact O-N 3.1Å
184	N	23.5	Very low	25.8	Very low	148 Å²	148	113.5 Å²	113.5	79%	0.791	67%	0.667	S	S	*	*			trans	-67.1	103.9	172.4	-130.8	18.1	0	0	0	107	A182	A182-N184 PolarHBondContact O-N 2.93Å
185	D	24.6	Very low	25.3	Very low	87 Å²	87	114 Å²	114	47%	0.465	69%	0.688	S	S	.	*			trans	-68.6	128.7	164	-94.8	-26.3	0	0	0	107.5	V183 T187	V183-D185 PolarHBondContact O-N 3.35Å; V183-D185 VanDerWaalsContact O-N 3.1Å; D185-T187 PolarHBondContact O-N 3.19Å
186	P	23.4	Very low	25.1	Very low	119 Å²	119	116.1 Å²	116.1	77%	0.773	70%	0.697	S	S	*	*			trans	-78.4	77.5	172.5	32.5	-29.9	0	0	0	107.9	Y188	P186-Y188 PolarHBondContact O-N 2.98Å; P186-Y188 VanDerWaalsContact O-N 3.13Å
187	T	25.8	Very low	24.9	Very low	121 Å²	121	118.4 Å²	118.4	74%	0.742	72%	0.716	S	S	*	*			trans	-71.6	105.8	163.9	26.3	0	0	0	0	108.3	D185 S189	D185-T187 PolarHBondContact O-N 3.19Å; T187-S189 PolarHBondContact O-N 2.95Å
188	Y	23.2	Very low	24.7	Very low	243 Å²	243	122.2 Å²	122.2	95%	0.953	74%	0.735	S	S	*	*			trans	-47.7	98.6	161.1	-115.2	-98.5	0	0	0	109.4	P186	P186-Y188 PolarHBondContact O-N 2.98Å; P186-Y188 VanDerWaalsContact O-N 3.13Å
189	S	24.8	Very low	24.5	Very low	106 Å²	106	118.3 Å²	118.3	74%	0.741	73%	0.733	S	S	*	*			trans	-164.9	116.3	167.5	169	0	0	0	0	107.8	T187	T187-S189 PolarHBondContact O-N 2.95Å
190	G	23.5	Very low	24.4	Very low	73 Å²	73	118.4 Å²	118.4	75%	0.753	73%	0.733	S	S	*	*			trans	-61.6	167.6	-174.2	0	0	0	0	0	114.8
191	S	24.1	Very low	24.2	Very low	104 Å²	104	122.7 Å²	122.7	73%	0.727	76%	0.756	S	S	*	*			trans	107	96.7	166.2	-161.2	0	0	0	0	116.2
192	T	24.2	Very low	24	Very low	111 Å²	111	120.6 Å²	120.6	68%	0.681	77%	0.766	S	S	*	*			trans	69.4	107.7	134.5	58.7	0	0	0	0	120.4
193	H	23.7	Very low	24	Very low	182 Å²	182	123.7 Å²	123.7	84%	0.843	77%	0.768	S	S	*	*			trans	60.8	100.9	140.1	-72.7	73.4	0	0	0	117.9
194	M	25.5	Very low	23.8	Very low	190 Å²	190	126.4 Å²	126.4	94%	0.936	79%	0.79	S	S	*	*			trans	-141.3	104.9	133.3	-82.8	-131.5	174.8	0	0	109.9
195	G	22.9	Very low	23.8	Very low	72 Å²	72	122.2 Å²	122.2	74%	0.742	78%	0.782	S	S	*	*			trans	-71.5	134.1	167.1	0	0	0	0	0	110	A197	G195-A197 PolarHBondContact O-N 3.24Å
196	Y	23.7	Very low	23.8	Very low	236 Å²	236	123.1 Å²	123.1	93%	0.925	80%	0.795	S	S	*	*			trans	-70.9	95.2	164.5	-83.6	-93.4	0	0	0	108.4
197	A	23.1	Very low	23.8	Very low	96 Å²	96	124.5 Å²	124.5	79%	0.793	80%	0.796	S	S	*	*			trans	-92.9	120.2	166.3	0	0	0	0	0	109.6	G195	G195-A197 PolarHBondContact O-N 3.24Å
198	S	23.4	Very low	23.7	Very low	128 Å²	128	124.2 Å²	124.2	90%	0.895	79%	0.794	S	S	*	*			trans	-39.8	138.5	159.2	177.7	0	0	0	0	113.2
199	G	21.6	Very low	23.8	Very low	71 Å²	71	118 Å²	118	73%	0.732	78%	0.784	S	S	*	*			trans	129.4	99.6	157.9	0	0	0	0	0	116.4
200	G	22.7	Very low	23.7	Very low	78 Å²	78	117.8 Å²	117.8	80%	0.804	78%	0.783	S	S	*	*			trans	42.9	108.5	144.6	0	0	0	0	0	120.6
201	T	24.5	Very low	23.8	Very low	126 Å²	126	120.5 Å²	120.5	77%	0.773	79%	0.791	S	S	*	*			trans	-121.7	101.6	143	55.6	0	0	0	0	108.7	L203	T201-L203 PolarHBondContact O-N 2.76Å
202	G	22.1	Very low	23.8	Very low	80 Å²	80	119.7 Å²	119.7	83%	0.825	79%	0.791	S	S	*	*			trans	-58.5	123.2	164.8	0	0	0	0	0	109.4
203	L	26.3	Very low	23.9	Very low	162 Å²	162	118.1 Å²	118.1	85%	0.848	78%	0.783	S	S	*	*			trans	-113.5	102	165.5	-71.1	174	0	0	0	107.1	T201 G205	T201-L203 PolarHBondContact O-N 2.76Å; L203-G205 PolarHBondContact O-N 2.79Å
204	S	23	Very low	24	Very low	121 Å²	121	120.9 Å²	120.9	85%	0.846	79%	0.786	S	S	*	*			trans	-40.3	129.5	171.6	-174.1	0	0	0	0	111.2	S206	S204-S206 PolarHBondContact O-N 3.36Å
205	G	23.7	Very low	24.4	Very low	61 Å²	61	119 Å²	119	63%	0.629	77%	0.769	S	S	*	*			trans	-53.8	119.2	174.5	0	0	0	0	0	111.1	L203 N207	L203-G205 PolarHBondContact O-N 2.79Å; G205-N207 PolarHBondContact O-N 2.97Å
206	S	24.5	Very low	24.6	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	76%	0.762	S	S	*	*			trans	-86.6	102	163.2	-174.1	0	0	0	0	108.3	S204 V208	S204-S206 PolarHBondContact O-N 3.36Å; S206-V208 PolarHBondContact O-N 2.79Å
207	N	22.9	Very low	25	Very low	148 Å²	148	112 Å²	112	79%	0.791	74%	0.741	S	S	*	*			trans	-73.5	47.9	173.1	-71.3	-41.9	0	0	0	112.2	G205	G205-N207 PolarHBondContact O-N 2.97Å
208	V	23.4	Very low	25.6	Very low	115 Å²	115	111.2 Å²	111.2	70%	0.697	72%	0.722	S	S	*	*			trans	-141.4	64	-177.6	-160.5	0	0	0	0	111.6	S206	S206-V208 PolarHBondContact O-N 2.79Å
209	C	25.7	Very low	26	Very low	112 Å²	112	110.3 Å²	110.3	76%	0.757	71%	0.711	S	S	*	*			trans	-157.1	38.4	151.3	-95.5	0	0	0	0	110.1	S211	C209-S211 PolarHBondContact O-N 3.48Å
210	S	23.9	Very low	26.6	Very low	102 Å²	102	110.3 Å²	110.3	71%	0.713	70%	0.697	S	S	*	*	S	Bend	trans	-70.3	110.1	165.2	-33.1	0	0	0	0	107.1
211	S	23.9	Very low	27.1	Very low	131 Å²	131	110.3 Å²	110.3	92%	0.916	68%	0.678	S	S	*	*	S	Bend	trans	119.7	-4.4	158.7	76.4	0	0	0	0	121.2	C209	C209-S211 PolarHBondContact O-N 3.48Å
212	A	24.8	Very low	27.5	Very low	87 Å²	87	107.2 Å²	107.2	72%	0.719	66%	0.66	S	S	*	*			trans	-121.3	-11.4	-172.7	0	0	0	0	0	118.7	R214	A212-R214 PolarHBondContact O-N 2.81Å
213	C	27.2	Very low	27.9	Very low	78 Å²	78	109.3 Å²	109.3	53%	0.527	64%	0.643	S	S	.	*			trans	-85.1	74.1	-176.2	-55.7	0	0	0	0	112.6	R215	C213-R215 PolarHBondContact O-N 2.91Å
214	R	26	Very low	28.1	Very low	240 Å²	240	105.7 Å²	105.7	91%	0.906	63%	0.628	S	S	*	*			trans	-71.3	81.3	166.4	-75	-172.2	174.5	-177.5	0.9	109.8	A212 S216	A212-R214 PolarHBondContact O-N 2.81Å; R214-S216 PolarHBondContact O-N 3.5Å
215	R	32.3	Very low	28.4	Very low	151 Å²	151	104.3 Å²	104.3	57%	0.57	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62	116.3	175.8	-70.4	-179	172.2	-159.6	-5.2	110.3	C213	C213-R215 PolarHBondContact O-N 2.91Å
216	S	29.2	Very low	28.6	Very low	85 Å²	85	104.5 Å²	104.5	59%	0.594	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-88.9	126.5	168.9	-56.6	0	0	0	0	107.8	R214 I218	R214-S216 PolarHBondContact O-N 3.5Å; S216-I218 PolarHBondContact O-N 3.35Å
217	P	31.5	Very low	28.9	Very low	76 Å²	76	108.1 Å²	108.1	49%	0.494	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-60.9	131.4	175.3	25.3	-32.4	0	0	0	109.7	V219	P217-V219 HydrophobicContact CG-CG2 4.5Å; P217-V219 PolarHBondContact O-N 3.33Å
218	I	35.4	Very low	29.7	Very low	78 Å²	78	106.6 Å²	106.6	40%	0.4	60%	0.604	S	S	.	*			trans	-66.2	108.8	160	-53.5	173.5	0	0	0	105.9	Y43 S216 V220	Y43-I218 HydrophobicContact CE1-CB 4.4Å; Y43-I218 HydrophobicContact CE1-CD1 3.9Å; Y43-I218 HydrophobicContact CE1-CG1 4Å; Y43-I218 WeakPolarHBondContact OH-CA 2.81Å; Y43-I218 WeakPolarHBondContact OH-CB 2.89Å; Y43-I218 PolarHBondContact OH-N 2.81Å; Y43-I218 PolarHBondContact OH-O 2.88Å; S216-I218 PolarHBondContact O-N 3.35Å; I218-V220 HydrophobicContact CG2-CG2 3.94Å
219	V	31	Very low	30.3	Very low	109 Å²	109	109.1 Å²	109.1	66%	0.661	61%	0.608	S	S	*	*			trans	-94.6	119.3	171.1	-178.6	0	0	0	0	106.4	P217	P217-V219 HydrophobicContact CG-CG2 4.5Å; P217-V219 PolarHBondContact O-N 3.33Å
220	V	35.3	Very low	30.6	Very low	72 Å²	72	105.9 Å²	105.9	44%	0.436	59%	0.586	S	S	.	*			trans	-109.1	113	174.8	-175.1	0	0	0	0	107.1	I218 V222	I218-V220 HydrophobicContact CG2-CG2 3.94Å; V220-V222 HydrophobicContact CG1-CG2 4.27Å; V220-V222 PolarHBondContact O-N 3.27Å
221	D	32.3	Very low	31.2	Very low	77 Å²	77	104.8 Å²	104.8	41%	0.412	58%	0.575	S	S	.	*			trans	-79	112.9	170.7	-66.3	-32.5	0	0	0	107.8	Y223	D221-Y223 HydrophobicContact CB-CE2 3.64Å
222	V	33.1	Very low	31.8	Very low	62 Å²	62	103.7 Å²	103.7	38%	0.376	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-95.1	118.6	175.3	-178.8	0	0	0	0	107.9	L33 V220	L33-V222 HydrophobicContact CD2-CG2 4.31Å; V220-V222 HydrophobicContact CG1-CG2 4.27Å; V220-V222 PolarHBondContact O-N 3.27Å
223	Y	30.7	Very low	32.3	Very low	124 Å²	124	101.9 Å²	101.9	49%	0.486	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-101.9	121.9	177.1	-57.7	-85.4	0	0	0	108.6	D221 L233	D221-Y223 HydrophobicContact CB-CE2 3.64Å; Y223-L233 HydrophobicContact CD1-CD2 3.55Å; Y223-L233 HydrophobicContact CE1-CD2 3.61Å
224	V	31.5	Very low	32.6	Very low	85 Å²	85	99.8 Å²	99.8	52%	0.515	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.3	171	-177.1	0	0	0	0	107.2	I232	V224-I232 PolarHBondContact O-N 3.37Å
225	V	28.8	Very low	33.1	Very low	92 Å²	92	93.2 Å²	93.2	56%	0.558	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.7	174.4	-175.1	0	0	0	0	106.7
226	N	27.5	Very low	33.3	Very low	65 Å²	65	92.9 Å²	92.9	35%	0.348	51%	0.509	S	S	.	.			trans	-79.4	161.2	175	-76.7	-24.3	0	0	0	111	D228 Q229 S230 I232	N226-D228 WeakPolarHBondContact CB-OD1 3.34Å; N226-D228 PolarHBondContact O-N 3.38Å; N226-D228 VanDerWaalsContact O-N 3.09Å; N226-Q229 WeakPolarHBondContact O-CA 3.32Å; N226-Q229 PolarHBondContact O-N 3.28Å; N226-S230 PolarHBondContact N-O 3.35Å; N226-S230 VanDerWaalsContact N-O 3.17Å; N226-S230 PolarHBondContact ND2-OG 3.01Å; N226-I232 WeakPolarHBondContact ND2-CD1 3.19Å
227	D	30.8	Very low	33.5	Very low	181 Å²	181	89.6 Å²	89.6	97%	0.968	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.9	179.5	-72.8	-30.2	0	0	0	113.8	Q229	D227-Q229 PolarHBondContact O-N 3.31Å
228	D	40	Very low	33.7	Very low	117 Å²	117	88.6 Å²	88.6	63%	0.626	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	8.8	173.7	66.8	-9.6	0	0	0	113.5	N226 S230	N226-D228 WeakPolarHBondContact CB-OD1 3.34Å; N226-D228 PolarHBondContact O-N 3.38Å; N226-D228 VanDerWaalsContact O-N 3.09Å; D228-S230 VanDerWaalsContact CG-OG 3.26Å; D228-S230 PolarHBondContact O-N 3.35Å; D228-S230 VanDerWaalsContact OD1-CB 3.23Å; D228-S230 WeakPolarHBondContact OD1-CB 3.4Å; D228-S230 PolarHBondContact OD1-N 3.42Å; D228-S230 PolarHBondContact OD1-OG 3.29Å; D228-S230 PolarHBondContact OD2-OG 2.97Å
229	Q	36.2	Very low	33.9	Very low	168 Å²	168	88.2 Å²	88.2	79%	0.785	49%	0.486	S	S	*	.			trans	61	12.6	-173.1	-55.2	-177.7	-3	0	0	114.3	N226 D227 V231	N226-Q229 WeakPolarHBondContact O-CA 3.32Å; N226-Q229 PolarHBondContact O-N 3.28Å; D227-Q229 PolarHBondContact O-N 3.31Å; Q229-V231 PolarHBondContact O-N 3.24Å
230	S	32	Very low	34.2	Very low	43 Å²	43	86.4 Å²	86.4	30%	0.301	47%	0.473	S	S	.	.			trans	-72	123.6	172.3	69.3	0	0	0	0	109.6	N226 D228	N226-S230 PolarHBondContact N-O 3.35Å; N226-S230 VanDerWaalsContact N-O 3.17Å; N226-S230 PolarHBondContact ND2-OG 3.01Å; D228-S230 VanDerWaalsContact CG-OG 3.26Å; D228-S230 PolarHBondContact O-N 3.35Å; D228-S230 VanDerWaalsContact OD1-CB 3.23Å; D228-S230 WeakPolarHBondContact OD1-CB 3.4Å; D228-S230 PolarHBondContact OD1-N 3.42Å; D228-S230 PolarHBondContact OD1-OG 3.29Å; D228-S230 PolarHBondContact OD2-OG 2.97Å
231	V	36.3	Very low	34.4	Very low	80 Å²	80	87.1 Å²	87.1	49%	0.485	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.4	174.3	-176.1	0	0	0	0	107.7	Q229 L233	Q229-V231 PolarHBondContact O-N 3.24Å; V231-L233 HydrophobicContact CG1-CD2 3.66Å; V231-L233 HydrophobicContact CG1-CG 3.85Å; V231-L233 PolarHBondContact O-N 2.87Å; V231-L233 VanDerWaalsContact O-N 3.14Å
232	I	36.3	Very low	34.5	Very low	108 Å²	108	89.3 Å²	89.3	55%	0.554	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	93.3	172.2	-58.6	178.6	0	0	0	107.4	V224 N226	V224-I232 PolarHBondContact O-N 3.37Å; N226-I232 WeakPolarHBondContact ND2-CD1 3.19Å
233	L	34.9	Very low	34.7	Very low	48 Å²	48	91.4 Å²	91.4	25%	0.251	49%	0.493	S	S	.	.			trans	-76.9	139.9	173.6	-70.2	-179.2	0	0	0	110.5	Y223 V231 A237 I241	Y223-L233 HydrophobicContact CD1-CD2 3.55Å; Y223-L233 HydrophobicContact CE1-CD2 3.61Å; V231-L233 HydrophobicContact CG1-CD2 3.66Å; V231-L233 HydrophobicContact CG1-CG 3.85Å; V231-L233 PolarHBondContact O-N 2.87Å; V231-L233 VanDerWaalsContact O-N 3.14Å; L233-A237 HydrophobicContact CB-CB 4Å; L233-A237 HydrophobicContact CD1-CB 4.19Å; L233-A237 HydrophobicContact CD2-CB 4.21Å; L233-A237 HydrophobicContact CG-CB 4.37Å; L233-I241 HydrophobicContact CD1-CD1 3.82Å
234	P	33.7	Very low	35	Very low	35 Å²	35	91.5 Å²	91.5	23%	0.227	50%	0.501	C	S	.	.			trans	-62.4	149.4	168.9	25.2	-31.6	0	0	0	110	Y236 A237	P234-Y236 HydrophobicContact CB-CD1 3.89Å; P234-Y236 HydrophobicContact CB-CE1 3.41Å; P234-Y236 VanDerWaalsContact CB-CE1 3.41Å; P234-Y236 HydrophobicContact CG-CD1 4.23Å; P234-Y236 HydrophobicContact CG-CE1 3.53Å; P234-Y236 HydrophobicContact CG-CE2 3.84Å; P234-Y236 WeakPolarHBondContact CG-OH 3.11Å; P234-Y236 PolarHBondContact O-N 2.85Å; P234-A237 HydrophobicContact CG-CB 4.37Å; P234-A237 WeakPolarHBondContact O-CB 3.46Å; P234-A237 PolarHBondContact O-N 3.17Å
235	P	36.8	Very low	35.1	Very low	101 Å²	101	93.8 Å²	93.8	66%	0.656	51%	0.51	S	S	*	.	H	α-helix	trans	-53.7	-28.7	-167.5	-27.1	32.7	0	0	0	115.2	A237 S238	P235-A237 VanDerWaalsContact C-N 3.34Å; P235-S238 PolarHBondContact O-N 3.25Å; P235-S238 PolarHBondContact O-OG 3.13Å
236	Y	36.5	Very low	35.4	Very low	144 Å²	144	94.9 Å²	94.9	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-70.8	-27.3	177.5	61.4	-101.1	0	0	0	113.5	P234 S239	P234-Y236 HydrophobicContact CB-CD1 3.89Å; P234-Y236 HydrophobicContact CB-CE1 3.41Å; P234-Y236 VanDerWaalsContact CB-CE1 3.41Å; P234-Y236 HydrophobicContact CG-CD1 4.23Å; P234-Y236 HydrophobicContact CG-CE1 3.53Å; P234-Y236 HydrophobicContact CG-CE2 3.84Å; P234-Y236 WeakPolarHBondContact CG-OH 3.11Å; P234-Y236 PolarHBondContact O-N 2.85Å; Y236-S239 PolarHBondContact O-OG 3.07Å
237	A	33.4	Very low	35.6	Very low	17 Å²	17	98.5 Å²	98.5	14%	0.14	53%	0.533	C	S	.	.	H	α-helix	trans	-81.3	-25.4	177.7	0	0	0	0	0	112	L233 P234 P235 S239 L240	L233-A237 HydrophobicContact CB-CB 4Å; L233-A237 HydrophobicContact CD1-CB 4.19Å; L233-A237 HydrophobicContact CD2-CB 4.21Å; L233-A237 HydrophobicContact CG-CB 4.37Å; P234-A237 HydrophobicContact CG-CB 4.37Å; P234-A237 WeakPolarHBondContact O-CB 3.46Å; P234-A237 PolarHBondContact O-N 3.17Å; P235-A237 VanDerWaalsContact C-N 3.34Å; A237-S239 VanDerWaalsContact C-N 3.27Å; A237-S239 PolarHBondContact O-N 3.31Å; A237-L240 PolarHBondContact O-N 3.1Å
238	S	36	Very low	35.4	Very low	55 Å²	55	99.1 Å²	99.1	39%	0.385	53%	0.53	S	S	.	.	H	α-helix	trans	-65.2	-30.1	175.7	-33.8	0	0	0	0	112.7	P235 L240 I241	P235-S238 PolarHBondContact O-N 3.25Å; P235-S238 PolarHBondContact O-OG 3.13Å; S238-L240 PolarHBondContact O-N 2.98Å; S238-I241 PolarHBondContact O-N 3.47Å
239	S	39.7	Very low	34.8	Very low	69 Å²	69	98.2 Å²	98.2	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-20	179.8	68.7	0	0	0	0	114.4	Y236 A237	Y236-S239 PolarHBondContact O-OG 3.07Å; A237-S239 VanDerWaalsContact C-N 3.27Å; A237-S239 PolarHBondContact O-N 3.31Å
240	L	36.9	Very low	34.2	Very low	72 Å²	72	96.3 Å²	96.3	38%	0.377	53%	0.531	S	S	.	.	H	α-helix	trans	-80.5	-26.8	179	-105.7	141.8	0	0	0	113	A237 S238 N242 I243 L244	A237-L240 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact O-N 2.98Å; L240-N242 VanDerWaalsContact C-N 3.34Å; L240-I243 PolarHBondContact O-N 2.79Å; L240-L244 PolarHBondContact O-N 3.28Å
241	I	38.7	Very low	34.2	Very low	87 Å²	87	101.6 Å²	101.6	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-35.1	-178.5	-61.6	174.9	0	0	0	110.6	L233 S238 I243 L244 N245	L233-I241 HydrophobicContact CD1-CD1 3.82Å; S238-I241 PolarHBondContact O-N 3.47Å; I241-I243 VanDerWaalsContact C-N 3.28Å; I241-I243 PolarHBondContact O-N 2.96Å; I241-L244 PolarHBondContact O-N 2.9Å; I241-N245 PolarHBondContact O-N 2.8Å
242	N	34.8	Very low	33.8	Very low	123 Å²	123	106.1 Å²	106.1	66%	0.658	57%	0.57	S	S	*	*	H	α-helix	trans	-71.1	-20.5	176.9	-77.6	-12.5	0	0	0	113.9	L240 T246	L240-N242 VanDerWaalsContact C-N 3.34Å; N242-T246 PolarHBondContact O-OG1 2.95Å
243	I	38.2	Very low	34	Very low	105 Å²	105	112.5 Å²	112.5	54%	0.538	61%	0.605	S	S	.	*	H	α-helix	trans	-86.3	-30.2	178.3	-59.5	172.6	0	0	0	111	L240 I241 T246	L240-I243 PolarHBondContact O-N 2.79Å; I241-I243 VanDerWaalsContact C-N 3.28Å; I241-I243 PolarHBondContact O-N 2.96Å; I243-T246 PolarHBondContact O-OG1 3.46Å
244	L	35.7	Very low	33.9	Very low	127 Å²	127	115.7 Å²	115.7	67%	0.665	62%	0.623	S	S	*	*	H	α-helix	trans	-75.3	-29.8	177.5	-78.7	159.9	0	0	0	112.9	L240 I241 T246	L240-L244 PolarHBondContact O-N 3.28Å; I241-L244 PolarHBondContact O-N 2.9Å; L244-T246 PolarHBondContact O-N 3.05Å
245	N	34.9	Very low	33.9	Very low	132 Å²	132	119.9 Å²	119.9	71%	0.706	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-1.1	177.1	-76.8	-7.2	0	0	0	114.6	I241	I241-N245 PolarHBondContact O-N 2.8Å
246	T	35	Very low	33.8	Very low	115 Å²	115	121 Å²	121	71%	0.706	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	3.8	178.8	35.3	0	0	0	0	114	N242 I243 L244	N242-T246 PolarHBondContact O-OG1 2.95Å; I243-T246 PolarHBondContact O-OG1 3.46Å; L244-T246 PolarHBondContact O-N 3.05Å
247	Q	30.8	Very low	33.6	Very low	142 Å²	142	119.6 Å²	119.6	66%	0.664	65%	0.647	S	S	*	*			trans	-113.3	72.3	170.2	-66.3	-164.9	-4.3	0	0	110.4	C249	Q247-C249 PolarHBondContact O-N 2.75Å
248	E	27	Very low	33.6	Very low	194 Å²	194	126.1 Å²	126.1	91%	0.907	68%	0.679	S	S	*	*			trans	-62.5	92.7	150.2	-84.7	-175.1	149.1	0	0	107.4	T250	E248-T250 PolarHBondContact O-N 3.29Å
249	C	26.8	Very low	33.5	Very low	97 Å²	97	130.8 Å²	130.8	66%	0.655	70%	0.699	S	S	*	*			trans	-76.5	101.1	164.1	-73.6	0	0	0	0	108	Q247 I251	Q247-C249 PolarHBondContact O-N 2.75Å; C249-I251 PolarHBondContact O-N 3.21Å
250	T	24.6	Very low	33	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	71%	0.714	S	S	*	*			trans	-53.3	116	156.6	17.7	0	0	0	0	109	E248	E248-T250 PolarHBondContact O-N 3.29Å
251	I	30.3	Very low	32.7	Very low	154 Å²	154	140.1 Å²	140.1	79%	0.79	74%	0.74	S	S	*	*			trans	-103.1	116.1	164.4	-58	176.9	0	0	0	105.1	C249	C249-I251 PolarHBondContact O-N 3.21Å
252	H	28.8	Very low	32.3	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.815	77%	0.765	S	S	*	*			trans	-71	138.1	170.7	-82.6	-78.4	0	0	0	109.7
253	D	40.2	Very low	32	Very low	241 Å²	241	146.5 Å²	146.5	100%	1.289	77%	0.774	S	S	*	*			trans	-50.5	0	177	-67.2	-42.2	0	0	0	114.3

Retrieved 253 of 253 residues in 54 ms (Link to these results)

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