A0A096M3A2_POEFO Loading...

Phospholipase A and acyltransferase 1

AlphaFold DB , UniProt , Accession A0A096M3A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 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	37	Very low	46.8	Very low	247 Å²	247	146.7 Å²	146.7	100%	1.217	83%	0.834	S	S	*	*				0	92.4	0	-74.2	166.9	159.9	0	0	106.1
2	A	38.2	Very low	47.4	Very low	96 Å²	96	140.4 Å²	140.4	79%	0.793	81%	0.806	S	S	*	*			trans	-86.9	121.3	173.8	0	0	0	0	0	106.8	N4	A2-N4 PolarHBondContact O-N 2.64Å
3	S	40.9	Very low	49.7	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	80%	0.801	S	S	*	*			trans	-64.7	123.8	179.1	-43.5	0	0	0	0	109	D5	S3-D5 PolarHBondContact O-N 3.11Å
4	N	51.8	Low	52.5	Low	162 Å²	162	134.6 Å²	134.6	87%	0.866	79%	0.785	S	S	*	*			trans	-75.8	106.9	167.7	-70.1	-34	0	0	0	107.8	A2	A2-N4 PolarHBondContact O-N 2.64Å
5	D	56.3	Low	55.5	Low	147 Å²	147	126.2 Å²	126.2	79%	0.786	74%	0.737	S	S	*	*			trans	-77.9	138	158.8	-86.1	-36.2	0	0	0	108.7	S3 E7	S3-D5 PolarHBondContact O-N 3.11Å; D5-E7 PolarHBondContact O-N 3.1Å
6	P	54	Low	58.1	Low	111 Å²	111	124.8 Å²	124.8	72%	0.721	72%	0.721	S	S	*	*			trans	-72.3	112.7	173.3	29.9	-29.2	0	0	0	107.9	L8	P6-L8 PolarHBondContact O-N 3.43Å
7	E	46.6	Very low	60.5	Low	191 Å²	191	120.2 Å²	120.2	89%	0.893	70%	0.697	S	S	*	*			trans	-56.3	100.2	167	-164.2	171.1	-161.2	0	0	107.7	D5 S9	D5-E7 PolarHBondContact O-N 3.1Å; E7-S9 PolarHBondContact O-N 2.86Å
8	L	46.3	Very low	62.5	Low	155 Å²	155	113.6 Å²	113.6	81%	0.812	66%	0.658	S	S	*	*			trans	-59.8	109.8	168.4	-78.3	161.2	0	0	0	105.9	P6 E10	P6-L8 PolarHBondContact O-N 3.43Å; L8-E10 PolarHBondContact O-N 2.88Å
9	S	44.2	Very low	64.4	Low	109 Å²	109	108.7 Å²	108.7	76%	0.762	63%	0.629	S	S	*	*			trans	-57.4	106	175.6	54.2	0	0	0	0	108.9	E7	E7-S9 PolarHBondContact O-N 2.86Å
10	E	49.3	Very low	66.1	Low	169 Å²	169	103.3 Å²	103.3	79%	0.79	60%	0.598	S	S	*	*			trans	-49.3	132.4	165.6	-69.5	-68.6	152.6	0	0	108.2	L8 S12	L8-E10 PolarHBondContact O-N 2.88Å; E10-S12 PolarHBondContact O-N 3.07Å
11	P	50.3	Low	67.6	Low	113 Å²	113	98.3 Å²	98.3	73%	0.734	57%	0.569	S	S	*	*			trans	-56.3	130.5	177.6	23.1	-30.7	0	0	0	108.5	A13	P11-A13 PolarHBondContact O-N 2.8Å
12	S	54.4	Low	70.4	Confident	71 Å²	71	87.2 Å²	87.2	50%	0.497	52%	0.515	S	S	.	.			trans	-42.3	125.6	179.7	173.5	0	0	0	0	110.6	E10 D14	E10-S12 PolarHBondContact O-N 3.07Å; S12-D14 PolarHBondContact O-N 2.88Å; S12-D14 VanDerWaalsContact O-N 3.13Å; S12-D14 PolarHBondContact OG-N 2.77Å
13	A	76.4	Confident	73.1	Confident	90 Å²	90	82.7 Å²	82.7	74%	0.744	48%	0.477	S	S	*	.	S	Bend	trans	-65	-10	175.8	0	0	0	0	0	112.8	P11	P11-A13 PolarHBondContact O-N 2.8Å
14	D	90	Very high	75.6	Confident	109 Å²	109	80.6 Å²	80.6	58%	0.583	45%	0.454	S	S	*	.	S	Bend	trans	-92.7	133.5	-177.2	-61.9	-39.9	0	0	0	111	S12 Q16	S12-D14 PolarHBondContact O-N 2.88Å; S12-D14 VanDerWaalsContact O-N 3.13Å; S12-D14 PolarHBondContact OG-N 2.77Å; D14-Q16 PolarHBondContact O-NE2 3.29Å; D14-Q16 VanDerWaalsContact O-NE2 3.08Å
15	P	96.3	Very high	77.4	Confident	9 Å²	9	75.2 Å²	75.2	6%	0.058	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-62.4	142.2	-179.3	26.5	-34.7	0	0	0	111.9	I21 Y34 L72 I83	P15-I21 HydrophobicContact CB-CD1 3.76Å; P15-I21 HydrophobicContact CG-CD1 4.49Å; P15-Y34 HydrophobicContact CB-CD1 3.84Å; P15-Y34 HydrophobicContact CB-CD2 4.06Å; P15-Y34 HydrophobicContact CB-CE1 4.12Å; P15-Y34 HydrophobicContact CB-CE2 4.36Å; P15-Y34 HydrophobicContact CB-CG 3.78Å; P15-Y34 HydrophobicContact CG-CD1 4.19Å; P15-Y34 HydrophobicContact CG-CD2 3.85Å; P15-Y34 HydrophobicContact CG-CE1 4.06Å; P15-Y34 HydrophobicContact CG-CE2 3.73Å; P15-Y34 HydrophobicContact CG-CG 4.07Å; P15-Y34 WeakPolarHBondContact O-CE1 3.34Å; P15-L72 HydrophobicContact CG-CD2 4.21Å; P15-I83 HydrophobicContact CB-CD1 4.05Å; P15-I83 HydrophobicContact CB-CG1 4.04Å
16	Q	97.7	Very high	78.7	Confident	103 Å²	103	74.6 Å²	74.6	48%	0.481	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-102.4	148.2	176	-58.1	-57.6	-55.2	0	0	110.5	D14 G18 D19 Y34	D14-Q16 PolarHBondContact O-NE2 3.29Å; D14-Q16 VanDerWaalsContact O-NE2 3.08Å; Q16-G18 PolarHBondContact O-N 3.33Å; Q16-D19 PolarHBondContact N-OD2 3.27Å; Q16-D19 WeakPolarHBondContact O-CB 2.98Å; Q16-D19 VanDerWaalsContact O-CG 3.3Å; Q16-D19 PolarHBondContact O-N 3.44Å; Q16-Y34 VanDerWaalsContact C-CD1 3.48Å; Q16-Y34 WeakPolarHBondContact O-CD1 3.49Å
17	P	98.4	Very high	80	Confident	48 Å²	48	73.9 Å²	73.9	31%	0.312	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	129.2	177.3	-28.1	35.4	0	0	0	112.2	V96 I100	P17-V96 HydrophobicContact CB-CG1 3.88Å; P17-V96 WeakPolarHBondContact O-CG1 3.03Å; P17-I100 HydrophobicContact CB-CD1 4.25Å
18	G	97.6	Very high	81.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-14.7	-174.2	0	0	0	0	0	114.7	Q16 Y34 R128	Q16-G18 PolarHBondContact O-N 3.33Å; G18-Y34 PolarHBondContact N-O 3.19Å; G18-R128 VanDerWaalsContact C-NH1 3.27Å; G18-R128 PolarHBondContact O-NH1 3.3Å
19	D	98.4	Very high	83.5	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.112	38%	0.381	C	S	.	.			trans	-63.7	140.2	178.8	-78.7	-19.5	0	0	0	112.6	Q16 I21 L33 Y34 I83 N85 R128	Q16-D19 PolarHBondContact N-OD2 3.27Å; Q16-D19 WeakPolarHBondContact O-CB 2.98Å; Q16-D19 VanDerWaalsContact O-CG 3.3Å; Q16-D19 PolarHBondContact O-N 3.44Å; D19-I21 HydrophobicContact CB-CD1 4.46Å; D19-L33 WeakPolarHBondContact O-CA 3.28Å; D19-Y34 PolarHBondContact O-N 3.13Å; D19-I83 HydrophobicContact CB-CG2 3.99Å; D19-N85 PolarHBondContact OD1-ND2 3.4Å; D19-R128 IonicContact OD1-NH1 3.81Å
20	L	97.8	Very high	85.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.1	170.3	-55.4	-172.7	0	0	0	109.5	W31 L33 I83 N84 N85 V124 T125 R128 Y129	L20-W31 HydrophobicContact CB-CE3 4.24Å; L20-W31 HydrophobicContact CB-CZ3 3.94Å; L20-W31 HydrophobicContact CD1-CZ3 4.29Å; L20-L33 HydrophobicContact CD2-CD1 4.04Å; L20-L33 HydrophobicContact CD2-CG 4.47Å; L20-I83 WeakPolarHBondContact O-CA 2.97Å; L20-N84 PolarHBondContact O-N 2.96Å; L20-N85 PolarHBondContact N-OD1 3.07Å; L20-V124 HydrophobicContact CD2-CB 3.86Å; L20-V124 HydrophobicContact CD2-CG2 3.8Å; L20-T125 HydrophobicContact CD1-CG2 4.22Å; L20-R128 HydrophobicContact CD2-CB 4.03Å; L20-Y129 HydrophobicContact CD1-CE2 4.14Å
21	I	97.9	Very high	87.9	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.6	178.7	-51.7	-58.1	0	0	0	108.6	P15 D19 I23 W31 A32 I40 L72 Y81 I83	P15-I21 HydrophobicContact CB-CD1 3.76Å; P15-I21 HydrophobicContact CG-CD1 4.49Å; D19-I21 HydrophobicContact CB-CD1 4.46Å; I21-I23 HydrophobicContact CG2-CG1 4.01Å; I21-W31 WeakPolarHBondContact O-CA 3.41Å; I21-A32 HydrophobicContact CB-CB 4.39Å; I21-A32 PolarHBondContact N-O 2.9Å; I21-A32 PolarHBondContact O-N 2.89Å; I21-I40 HydrophobicContact CG1-CG2 4.34Å; I21-L72 HydrophobicContact CG2-CD1 3.89Å; I21-Y81 HydrophobicContact CG2-CD2 3.65Å; I21-Y81 HydrophobicContact CG2-CE2 4.46Å; I21-Y81 HydrophobicContact CG2-CG 4.13Å; I21-I83 HydrophobicContact CD1-CG1 4.09Å
22	E	96.1	Very high	90.1	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.8	172.3	-174.7	177.3	-158.6	0	0	109.1	Q29 W31 Y81 R82 N84	E22-Q29 HydrophobicContact CG-CB 4.22Å; E22-W31 HydrophobicContact CB-CD2 4.4Å; E22-W31 HydrophobicContact CB-CE3 4.3Å; E22-W31 HydrophobicContact CB-CH2 4.04Å; E22-W31 HydrophobicContact CB-CZ2 4.08Å; E22-W31 HydrophobicContact CB-CZ3 4.13Å; E22-W31 HydrophobicContact CG-CH2 4.32Å; E22-W31 HydrophobicContact CG-CZ2 3.87Å; E22-Y81 CarbonylContact O-C 3.57Å; E22-Y81 WeakPolarHBondContact O-CA 3.26Å; E22-Y81 WeakPolarHBondContact O-CB 3.41Å; E22-R82 HydrophobicContact CB-CG 4.12Å; E22-R82 PolarHBondContact N-O 3.17Å; E22-R82 PolarHBondContact O-N 2.78Å; E22-R82 IonicContact OE1-NH2 3.95Å; E22-R82 IonicContact OE2-CZ 3.1Å; E22-R82 IonicContact OE2-NE 2.73Å; E22-R82 PolarHBondContact OE2-NE 3.32Å; E22-R82 IonicContact OE2-NH2 2.7Å; E22-R82 PolarHBondContact OE2-NH2 3.02Å; E22-N84 HydrophobicContact CB-CB 4.12Å; E22-N84 PolarHBondContact OE2-ND2 3.13Å
23	I	95.1	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.9	-178.4	-57	173.7	0	0	0	108.9	I21 R25 Q29 H30 L72 V75 V76 D79	I21-I23 HydrophobicContact CG2-CG1 4.01Å; I23-R25 PolarHBondContact O-N 2.9Å; I23-Q29 PolarHBondContact O-OE1 3.05Å; I23-H30 HydrophobicContact CB-CB 4.28Å; I23-H30 PolarHBondContact N-O 3.2Å; I23-H30 PolarHBondContact O-N 3.17Å; I23-L72 HydrophobicContact CD1-CD1 4.46Å; I23-V75 HydrophobicContact CD1-CG1 3.8Å; I23-V76 HydrophobicContact CD1-CG2 3.87Å; I23-V76 HydrophobicContact CG1-CG2 4.09Å; I23-V76 HydrophobicContact CG2-CG2 4.42Å; I23-D79 HydrophobicContact CG2-CB 4.31Å
24	F	92.6	Very high	93.3	Very high	71 Å²	71	41.3 Å²	41.3	31%	0.311	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	93.7	-173.1	-61.7	-84.9	0	0	0	112.2	Q29 D79 S80 R82	F24-Q29 VanDerWaalsContact CA-OE1 3.23Å; F24-D79 WeakPolarHBondContact O-CB 3.44Å; F24-S80 WeakPolarHBondContact CD2-O 3.42Å; F24-S80 WeakPolarHBondContact CD2-OG 3.27Å; F24-S80 PolarHBondContact N-O 2.65Å; F24-R82 HydrophobicContact CE2-CB 4.16Å; F24-R82 HydrophobicContact CE2-CG 3.74Å; F24-R82 HydrophobicContact CZ-CG 3.77Å
25	R	88.9	Confident	93.6	Very high	49 Å²	49	37.3 Å²	37.3	19%	0.185	20%	0.201	C	C	.	.			trans	-85.2	154.1	170.5	-44.5	-60.7	-166.4	179.7	-0.5	110.3	I23 A27 Y28 H30 V75 V76 D79	I23-R25 PolarHBondContact O-N 2.9Å; R25-A27 PolarHBondContact O-N 2.86Å; R25-A27 VanDerWaalsContact O-N 3.11Å; R25-Y28 CarbonylContact C-O 3.52Å; R25-Y28 WeakPolarHBondContact CA-O 3.29Å; R25-Y28 HydrophobicContact CB-CD1 4.11Å; R25-Y28 HydrophobicContact CB-CE1 4.05Å; R25-Y28 HydrophobicContact CB-CG 4.48Å; R25-Y28 WeakPolarHBondContact CB-O 3.32Å; R25-Y28 HydrophobicContact CG-CD1 4.47Å; R25-Y28 HydrophobicContact CG-CE1 4.08Å; R25-Y28 HydrophobicContact CG-CE2 4.12Å; R25-Y28 PolarHBondContact N-O 3.32Å; R25-Y28 VanDerWaalsContact N-O 3.1Å; R25-H30 HydrophobicContact CG-CB 4.24Å; R25-V75 VanDerWaalsContact CZ-O 3.29Å; R25-V75 PolarHBondContact NH1-O 3.01Å; R25-V75 PolarHBondContact NH2-O 2.69Å; R25-V76 PolarHBondContact NH1-O 3.46Å; R25-D79 WeakPolarHBondContact CD-OD2 3.5Å; R25-D79 IonicContact CZ-OD2 3.67Å; R25-D79 IonicContact NE-OD2 3.54Å; R25-D79 IonicContact NH1-OD2 2.64Å; R25-D79 PolarHBondContact NH1-OD2 2.91Å
26	P	84.4	Confident	93.7	Very high	133 Å²	133	37.4 Å²	37.4	86%	0.864	20%	0.203	S	C	*	.	S	Bend	trans	-57.2	-29.4	179.9	-28.9	35.8	0	0	0	115.4
27	A	81	Confident	93.6	Very high	97 Å²	97	39.8 Å²	39.8	80%	0.802	22%	0.22	S	C	*	.	S	Bend	trans	-115.3	-12.9	-174.2	0	0	0	0	0	114.7	R25	R25-A27 PolarHBondContact O-N 2.86Å; R25-A27 VanDerWaalsContact O-N 3.11Å
28	Y	80.4	Confident	93.6	Very high	103 Å²	103	38.8 Å²	38.8	40%	0.404	22%	0.217	S	C	.	.	S	Bend	trans	-161.9	168.4	-178.4	68.4	-79.7	0	0	0	110.8	R25 H30	R25-Y28 CarbonylContact C-O 3.52Å; R25-Y28 WeakPolarHBondContact CA-O 3.29Å; R25-Y28 HydrophobicContact CB-CD1 4.11Å; R25-Y28 HydrophobicContact CB-CE1 4.05Å; R25-Y28 HydrophobicContact CB-CG 4.48Å; R25-Y28 WeakPolarHBondContact CB-O 3.32Å; R25-Y28 HydrophobicContact CG-CD1 4.47Å; R25-Y28 HydrophobicContact CG-CE1 4.08Å; R25-Y28 HydrophobicContact CG-CE2 4.12Å; R25-Y28 PolarHBondContact N-O 3.32Å; R25-Y28 VanDerWaalsContact N-O 3.1Å; Y28-H30 HydrophobicContact CE2-CB 3.97Å
29	Q	86.3	Confident	93.6	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.3	172.8	-54	-50	-50.2	0	0	108.9	E22 I23 F24	E22-Q29 HydrophobicContact CG-CB 4.22Å; I23-Q29 PolarHBondContact O-OE1 3.05Å; F24-Q29 VanDerWaalsContact CA-OE1 3.23Å
30	H	91.9	Very high	93.6	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.3	173.8	-172.6	59.7	0	0	0	109.4	I23 R25 Y28 N42 L43 C120	I23-H30 HydrophobicContact CB-CB 4.28Å; I23-H30 PolarHBondContact N-O 3.2Å; I23-H30 PolarHBondContact O-N 3.17Å; R25-H30 HydrophobicContact CG-CB 4.24Å; Y28-H30 HydrophobicContact CE2-CB 3.97Å; H30-N42 PolarHBondContact NE2-ND2 2.81Å; H30-L43 PolarHBondContact CE1-O 3.24Å; H30-C120 VanDerWaalsContact CE1-SG 3.57Å
31	W	94.5	Very high	93.5	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.2	-176.5	-74.9	86.1	0	0	0	110.7	L20 I21 E22 N84 K86 C120 E121 V124	L20-W31 HydrophobicContact CB-CE3 4.24Å; L20-W31 HydrophobicContact CB-CZ3 3.94Å; L20-W31 HydrophobicContact CD1-CZ3 4.29Å; I21-W31 WeakPolarHBondContact O-CA 3.41Å; E22-W31 HydrophobicContact CB-CD2 4.4Å; E22-W31 HydrophobicContact CB-CE3 4.3Å; E22-W31 HydrophobicContact CB-CH2 4.04Å; E22-W31 HydrophobicContact CB-CZ2 4.08Å; E22-W31 HydrophobicContact CB-CZ3 4.13Å; E22-W31 HydrophobicContact CG-CH2 4.32Å; E22-W31 HydrophobicContact CG-CZ2 3.87Å; W31-N84 HydrophobicContact CH2-CB 3.97Å; W31-N84 WeakPolarHBondContact CH2-ND2 3.38Å; W31-N84 HydrophobicContact CZ3-CB 4.13Å; W31-K86 HydrophobicContact CH2-CD 4.22Å; W31-C120 HydrophobicContact CB-CB 3.85Å; W31-E121 HydrophobicContact CB-CB 4.44Å; W31-E121 HydrophobicContact CD2-CB 4.25Å; W31-E121 HydrophobicContact CD2-CG 4.21Å; W31-E121 HydrophobicContact CG-CB 3.89Å; W31-E121 HydrophobicContact CG-CG 4.38Å; W31-V124 HydrophobicContact CB-CG2 4.03Å; W31-V124 HydrophobicContact CE3-CG2 4.26Å
32	A	96.6	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.1	176.7	0	0	0	0	0	110.3	I21 I40 I41 N42 V124	I21-A32 HydrophobicContact CB-CB 4.39Å; I21-A32 PolarHBondContact N-O 2.9Å; I21-A32 PolarHBondContact O-N 2.89Å; A32-I40 HydrophobicContact CB-CB 4.01Å; A32-I40 HydrophobicContact CB-CD1 3.53Å; A32-I40 HydrophobicContact CB-CG1 4.35Å; A32-I40 HydrophobicContact CB-CG2 4.31Å; A32-I41 WeakPolarHBondContact CA-O 3.39Å; A32-I41 WeakPolarHBondContact CB-O 3.48Å; A32-N42 HydrophobicContact CB-CB 3.98Å; A32-V124 VanDerWaalsContact C-CG1 3.49Å
33	L	98.2	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.8	172.6	-177.4	147.4	0	0	0	109.3	D19 L20 L35 I40 I41 I99 V124 L127 R128	D19-L33 WeakPolarHBondContact O-CA 3.28Å; L20-L33 HydrophobicContact CD2-CD1 4.04Å; L20-L33 HydrophobicContact CD2-CG 4.47Å; L33-L35 HydrophobicContact CD2-CD2 3.82Å; L33-I40 CarbonylContact O-C 3.23Å; L33-I40 WeakPolarHBondContact O-CA 3.16Å; L33-I41 HydrophobicContact CB-CG2 3.8Å; L33-I41 HydrophobicContact CD2-CG2 4.2Å; L33-I41 PolarHBondContact N-O 2.84Å; L33-I41 PolarHBondContact O-N 3.48Å; L33-I99 HydrophobicContact CD1-CG2 3.57Å; L33-I99 HydrophobicContact CD2-CG2 3.83Å; L33-I99 HydrophobicContact CG-CG2 4.3Å; L33-V124 HydrophobicContact CB-CB 4.14Å; L33-V124 HydrophobicContact CB-CG1 4.08Å; L33-L127 HydrophobicContact CD1-CB 3.84Å; L33-L127 HydrophobicContact CD1-CD1 4.48Å; L33-R128 HydrophobicContact CD1-CB 4.14Å
34	Y	98.6	Very high	92.4	Very high	27 Å²	27	43.5 Å²	43.5	11%	0.106	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.5	-178.6	-171	-107	0	0	0	111.4	P15 Q16 G18 D19 G36 D37 G38 Y39 I40 L72	P15-Y34 HydrophobicContact CB-CD1 3.84Å; P15-Y34 HydrophobicContact CB-CD2 4.06Å; P15-Y34 HydrophobicContact CB-CE1 4.12Å; P15-Y34 HydrophobicContact CB-CE2 4.36Å; P15-Y34 HydrophobicContact CB-CG 3.78Å; P15-Y34 HydrophobicContact CG-CD1 4.19Å; P15-Y34 HydrophobicContact CG-CD2 3.85Å; P15-Y34 HydrophobicContact CG-CE1 4.06Å; P15-Y34 HydrophobicContact CG-CE2 3.73Å; P15-Y34 HydrophobicContact CG-CG 4.07Å; P15-Y34 WeakPolarHBondContact O-CE1 3.34Å; Q16-Y34 VanDerWaalsContact C-CD1 3.48Å; Q16-Y34 WeakPolarHBondContact O-CD1 3.49Å; G18-Y34 PolarHBondContact N-O 3.19Å; D19-Y34 PolarHBondContact O-N 3.13Å; Y34-G36 VanDerWaalsContact CE1-CA 3.45Å; Y34-D37 PolarHBondContact OH-N 3.35Å; Y34-G38 PolarHBondContact OH-N 3.03Å; Y34-Y39 VanDerWaalsContact CD2-O 3.23Å; Y34-Y39 WeakPolarHBondContact CD2-O 3.14Å; Y34-I40 HydrophobicContact CD2-CG2 3.95Å; Y34-L72 HydrophobicContact CD2-CD2 4.4Å; Y34-L72 HydrophobicContact CE2-CD2 4.41Å
35	L	98.1	Very high	91.7	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-19.1	-177.6	-59.8	-179.6	0	0	0	113.1	L33 Y39 I41 M69 I100 A103	L33-L35 HydrophobicContact CD2-CD2 3.82Å; L35-Y39 PolarHBondContact N-O 3.19Å; L35-I41 HydrophobicContact CD1-CB 4.17Å; L35-I41 HydrophobicContact CD2-CB 4.3Å; L35-I41 HydrophobicContact CD2-CG2 4.03Å; L35-I41 HydrophobicContact CG-CB 4.36Å; L35-I41 HydrophobicContact CG-CG2 4.5Å; L35-M69 HydrophobicContact CD1-CG 3.92Å; L35-M69 HydrophobicContact CD1-SD 4.05Å; L35-I100 HydrophobicContact CB-CD1 4.35Å; L35-I100 HydrophobicContact CD2-CD1 3.8Å; L35-A103 HydrophobicContact CD2-CB 3.65Å
36	G	97.1	Very high	90.8	Very high	11 Å²	11	43.4 Å²	43.4	11%	0.113	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.2	163.8	-167.7	0	0	0	0	0	111.9	Y34 G38 Y39	Y34-G36 VanDerWaalsContact CE1-CA 3.45Å; G36-G38 PolarHBondContact O-N 2.94Å; G36-Y39 WeakPolarHBondContact O-CB 3.34Å; G36-Y39 PolarHBondContact O-N 3.18Å
37	D	96.6	Very high	89.7	Confident	154 Å²	154	43.6 Å²	43.6	82%	0.824	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	31.9	172.9	-57.5	-32.7	0	0	0	115.5	Y34 Y39	Y34-D37 PolarHBondContact OH-N 3.35Å; D37-Y39 VanDerWaalsContact C-N 3.29Å; D37-Y39 HydrophobicContact CB-CD2 4.28Å; D37-Y39 WeakPolarHBondContact O-CD2 3.42Å; D37-Y39 PolarHBondContact O-N 3.04Å
38	G	96.8	Very high	88.4	Confident	26 Å²	26	47.9 Å²	47.9	27%	0.268	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	4.6	-178.5	0	0	0	0	0	114.6	Y34 G36 L72	Y34-G38 PolarHBondContact OH-N 3.03Å; G36-G38 PolarHBondContact O-N 2.94Å; G38-L72 WeakPolarHBondContact O-CB 3.17Å; G38-L72 PolarHBondContact O-N 3.47Å
39	Y	98.4	Very high	86.8	Confident	94 Å²	94	45.6 Å²	45.6	37%	0.369	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.4	179.5	-70.7	-85.8	0	0	0	112.6	Y34 L35 G36 D37 M69 Q70 L71	Y34-Y39 VanDerWaalsContact CD2-O 3.23Å; Y34-Y39 WeakPolarHBondContact CD2-O 3.14Å; L35-Y39 PolarHBondContact N-O 3.19Å; G36-Y39 WeakPolarHBondContact O-CB 3.34Å; G36-Y39 PolarHBondContact O-N 3.18Å; D37-Y39 VanDerWaalsContact C-N 3.29Å; D37-Y39 HydrophobicContact CB-CD2 4.28Å; D37-Y39 WeakPolarHBondContact O-CD2 3.42Å; D37-Y39 PolarHBondContact O-N 3.04Å; Y39-M69 HydrophobicContact CD1-CE 4.47Å; Y39-M69 HydrophobicContact CD1-CG 3.92Å; Y39-M69 HydrophobicContact CD1-SD 4.32Å; Y39-M69 HydrophobicContact CG-CG 4.45Å; Y39-Q70 WeakPolarHBondContact CA-O 3.24Å; Y39-L71 HydrophobicContact CD1-CD2 4.07Å; Y39-L71 HydrophobicContact CD1-CG 4.34Å; Y39-L71 HydrophobicContact CD2-CD2 4.37Å; Y39-L71 HydrophobicContact CE1-CD2 3.69Å; Y39-L71 HydrophobicContact CE1-CG 3.88Å; Y39-L71 HydrophobicContact CE2-CD2 4.01Å; Y39-L71 HydrophobicContact CG-CD2 4.4Å
40	I	98.3	Very high	84.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.9	171.3	55.1	159.6	0	0	0	110.7	I21 A32 L33 Y34 M69 Q70 L72 V75	I21-I40 HydrophobicContact CG1-CG2 4.34Å; A32-I40 HydrophobicContact CB-CB 4.01Å; A32-I40 HydrophobicContact CB-CD1 3.53Å; A32-I40 HydrophobicContact CB-CG1 4.35Å; A32-I40 HydrophobicContact CB-CG2 4.31Å; L33-I40 CarbonylContact O-C 3.23Å; L33-I40 WeakPolarHBondContact O-CA 3.16Å; Y34-I40 HydrophobicContact CD2-CG2 3.95Å; I40-M69 CarbonylContact O-C 3.51Å; I40-M69 VanDerWaalsContact O-CA 3.31Å; I40-M69 WeakPolarHBondContact O-CA 3.23Å; I40-Q70 WeakPolarHBondContact CG1-O 3.37Å; I40-Q70 PolarHBondContact N-O 3.47Å; I40-Q70 PolarHBondContact O-N 2.86Å; I40-L72 HydrophobicContact CD1-CD1 4.42Å; I40-L72 HydrophobicContact CG2-CB 4.01Å; I40-L72 HydrophobicContact CG2-CD1 3.94Å; I40-L72 HydrophobicContact CG2-CG 4.42Å; I40-V75 HydrophobicContact CD1-CB 3.87Å; I40-V75 HydrophobicContact CD1-CG1 4Å; I40-V75 HydrophobicContact CD1-CG2 3.86Å
41	I	96.6	Very high	82.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.3	163.3	-164.5	169	0	0	0	110.2	A32 L33 L35 V67 R68 A103 I107 F123 L127	A32-I41 WeakPolarHBondContact CA-O 3.39Å; A32-I41 WeakPolarHBondContact CB-O 3.48Å; L33-I41 HydrophobicContact CB-CG2 3.8Å; L33-I41 HydrophobicContact CD2-CG2 4.2Å; L33-I41 PolarHBondContact N-O 2.84Å; L33-I41 PolarHBondContact O-N 3.48Å; L35-I41 HydrophobicContact CD1-CB 4.17Å; L35-I41 HydrophobicContact CD2-CB 4.3Å; L35-I41 HydrophobicContact CD2-CG2 4.03Å; L35-I41 HydrophobicContact CG-CB 4.36Å; L35-I41 HydrophobicContact CG-CG2 4.5Å; I41-V67 HydrophobicContact CD1-CG1 3.45Å; I41-V67 VanDerWaalsContact CD1-CG1 3.45Å; I41-V67 HydrophobicContact CG1-CG1 3.52Å; I41-R68 WeakPolarHBondContact CA-O 3.35Å; I41-A103 HydrophobicContact CD1-CB 3.77Å; I41-A103 WeakPolarHBondContact CD1-O 3.23Å; I41-A103 HydrophobicContact CG2-CB 4.1Å; I41-I107 HydrophobicContact CD1-CG1 4.01Å; I41-F123 HydrophobicContact CD1-CZ 4.22Å; I41-F123 HydrophobicContact CG1-CE1 4.22Å; I41-F123 HydrophobicContact CG1-CZ 4.31Å; I41-F123 HydrophobicContact CG2-CE1 4.43Å; I41-L127 HydrophobicContact CG2-CD1 3.85Å
42	N	93.3	Very high	80.1	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166.6	177.1	65.2	-72.4	0	0	0	111.7	H30 A32 T44 R68 Q70	H30-N42 PolarHBondContact NE2-ND2 2.81Å; A32-N42 HydrophobicContact CB-CB 3.98Å; N42-T44 PolarHBondContact ND2-OG1 3.12Å; N42-R68 PolarHBondContact N-O 3.35Å; N42-R68 PolarHBondContact O-N 3.19Å; N42-Q70 PolarHBondContact ND2-OE1 3.04Å; N42-Q70 PolarHBondContact OD1-OE1 3Å; N42-Q70 VanDerWaalsContact OD1-OE1 3.13Å
43	L	88.1	Confident	77.6	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.7	169.5	-66.4	175.6	0	0	0	110.3	H30 A65 V67 V111 Y113 F123	H30-L43 PolarHBondContact CE1-O 3.24Å; L43-A65 HydrophobicContact CB-CB 4.25Å; L43-A65 HydrophobicContact CD2-CB 4.4Å; L43-V67 HydrophobicContact CD2-CB 4.45Å; L43-V67 HydrophobicContact CD2-CG2 3.61Å; L43-V111 HydrophobicContact CD1-CG2 4.45Å; L43-V111 HydrophobicContact CD2-CG2 3.54Å; L43-Y113 HydrophobicContact CD1-CD1 4.46Å; L43-F123 HydrophobicContact CD1-CB 3.76Å; L43-F123 HydrophobicContact CD1-CD1 4.45Å; L43-F123 HydrophobicContact CD1-CD2 4.45Å; L43-F123 HydrophobicContact CD1-CG 3.98Å; L43-F123 HydrophobicContact CD2-CD2 4.34Å; L43-F123 HydrophobicContact CD2-CE2 4.47Å; L43-F123 HydrophobicContact CD2-CG 4.36Å; L43-F123 HydrophobicContact CG-CB 4.25Å; L43-F123 HydrophobicContact CG-CD1 4Å; L43-F123 HydrophobicContact CG-CD2 4.42Å; L43-F123 HydrophobicContact CG-CE1 4.49Å; L43-F123 HydrophobicContact CG-CG 3.96Å
44	T	83.9	Confident	75.1	Confident	31 Å²	31	67.7 Å²	67.7	19%	0.19	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.1	175.8	-58.7	0	0	0	0	109.8	N42 A65 V66 Q70	N42-T44 PolarHBondContact ND2-OG1 3.12Å; T44-A65 CarbonylContact O-C 3.49Å; T44-A65 WeakPolarHBondContact O-CA 3.43Å; T44-A65 WeakPolarHBondContact O-CB 3.4Å; T44-V66 PolarHBondContact N-O 2.98Å; T44-V66 PolarHBondContact O-N 3.38Å; T44-Q70 PolarHBondContact OG1-OE1 2.96Å
45	P	77.5	Confident	72.4	Confident	55 Å²	55	70.9 Å²	70.9	36%	0.357	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	144.2	176.6	-20.3	29.7	0	0	0	112.6	L116	P45-L116 HydrophobicContact CG-CD1 3.63Å; P45-L116 HydrophobicContact CG-CD2 3.72Å; P45-L116 HydrophobicContact CG-CG 4.32Å
46	V	71.3	Confident	69.8	Low	63 Å²	63	72.4 Å²	72.4	38%	0.382	42%	0.422	S	S	.	.	S	Bend	trans	-71.4	-29.7	176.7	174	0	0	0	0	112.6	K64 V66 E110	V46-K64 HydrophobicContact CB-CB 4.22Å; V46-K64 HydrophobicContact CG2-CB 3.79Å; V46-K64 WeakPolarHBondContact CG2-O 3.21Å; V46-K64 PolarHBondContact N-O 3.47Å; V46-V66 HydrophobicContact CG2-CG2 3.63Å; V46-E110 HydrophobicContact CG2-CG 4.29Å
47	D	60.8	Low	67.3	Low	137 Å²	137	78.1 Å²	78.1	73%	0.733	45%	0.454	S	S	*	.			trans	-104.6	102.5	179.6	-74.6	-31.1	0	0	0	111.4	S49	D47-S49 PolarHBondContact O-N 2.69Å
48	E	52.6	Low	64.4	Low	188 Å²	188	80 Å²	80	88%	0.879	46%	0.455	S	S	*	.			trans	-73.3	47	174.9	-71.5	-171.7	152.2	0	0	113.5
49	S	47.5	Very low	61.9	Low	55 Å²	55	80.9 Å²	80.9	39%	0.385	46%	0.457	S	S	.	.			trans	-107.1	90	165.5	173.8	0	0	0	0	108.1	D47 A51 A52 A53	D47-S49 PolarHBondContact O-N 2.69Å; S49-A51 PolarHBondContact O-N 3.28Å; S49-A52 PolarHBondContact O-N 3.23Å; S49-A52 VanDerWaalsContact OG-CB 3.29Å; S49-A52 WeakPolarHBondContact OG-CB 3.38Å; S49-A52 PolarHBondContact OG-N 3.03Å; S49-A52 VanDerWaalsContact OG-N 3.07Å; S49-A53 PolarHBondContact O-N 3.24Å
50	Q	46.5	Very low	59.4	Low	185 Å²	185	78.2 Å²	78.2	86%	0.864	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.6	171.5	-70.7	-174.3	32.8	0	0	111.6
51	A	42.2	Very low	56.6	Low	84 Å²	84	85.1 Å²	85.1	69%	0.694	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-32.1	175.7	0	0	0	0	0	113.9	S49	S49-A51 PolarHBondContact O-N 3.28Å
52	A	42.4	Very low	54.5	Low	49 Å²	49	90.5 Å²	90.5	41%	0.405	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.1	177.8	0	0	0	0	0	112.6	S49 M54 S55	S49-A52 PolarHBondContact O-N 3.23Å; S49-A52 VanDerWaalsContact OG-CB 3.29Å; S49-A52 WeakPolarHBondContact OG-CB 3.38Å; S49-A52 PolarHBondContact OG-N 3.03Å; S49-A52 VanDerWaalsContact OG-N 3.07Å; A52-M54 PolarHBondContact O-N 3Å; A52-M54 VanDerWaalsContact O-N 3.17Å; A52-S55 PolarHBondContact O-N 2.86Å
53	A	45	Very low	53.1	Low	49 Å²	49	92.8 Å²	92.8	41%	0.405	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.1	-177.5	0	0	0	0	0	113.8	S49 R63	S49-A53 PolarHBondContact O-N 3.24Å; A53-R63 PolarHBondContact O-NH2 3.36Å; A53-R63 VanDerWaalsContact O-NH2 3.17Å
54	M	45.1	Very low	52.4	Low	179 Å²	179	98 Å²	98	88%	0.882	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.4	-178.7	-62.5	-171.6	71.1	0	0	114.4	A52	A52-M54 PolarHBondContact O-N 3Å; A52-M54 VanDerWaalsContact O-N 3.17Å
55	S	42.5	Very low	52.3	Low	95 Å²	95	96.8 Å²	96.8	66%	0.664	54%	0.542	S	S	*	.	S	Bend	trans	-91.8	-12.5	-161.2	-179.7	0	0	0	0	116.3	A52	A52-S55 PolarHBondContact O-N 2.86Å
56	S	43.2	Very low	52.7	Low	57 Å²	57	95.1 Å²	95.1	40%	0.399	53%	0.531	S	S	.	.			trans	-158.3	132.8	174	63	0	0	0	0	114.7	K58 S59	S56-K58 PolarHBondContact O-N 2.78Å; S56-K58 VanDerWaalsContact O-N 3.1Å; S56-S59 WeakPolarHBondContact O-CB 3.34Å; S56-S59 PolarHBondContact O-N 3.37Å; S56-S59 VanDerWaalsContact OG-CB 3.27Å; S56-S59 WeakPolarHBondContact OG-CB 3.31Å; S56-S59 PolarHBondContact OG-N 3.45Å
57	V	43.8	Very low	53.7	Low	130 Å²	130	92.2 Å²	92.2	79%	0.788	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.1	167.8	-96.4	0	0	0	0	113.6
58	K	37.6	Very low	55.2	Low	194 Å²	194	91.2 Å²	91.2	84%	0.843	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.4	172.9	-97.6	-172.7	174.8	-176	0	114.3	S56 V60	S56-K58 PolarHBondContact O-N 2.78Å; S56-K58 VanDerWaalsContact O-N 3.1Å; K58-V60 PolarHBondContact O-N 3.39Å
59	S	43.8	Very low	57.3	Low	44 Å²	44	86.9 Å²	86.9	31%	0.308	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-76.2	-9.9	174.3	152.6	0	0	0	0	112.7	S56 F61 R63	S56-S59 WeakPolarHBondContact O-CB 3.34Å; S56-S59 PolarHBondContact O-N 3.37Å; S56-S59 VanDerWaalsContact OG-CB 3.27Å; S56-S59 WeakPolarHBondContact OG-CB 3.31Å; S56-S59 PolarHBondContact OG-N 3.45Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.98Å; S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-NE 3.37Å; S59-R63 PolarHBondContact OG-NE 3.35Å; S59-R63 PolarHBondContact OG-NH2 3.15Å
60	V	44.6	Very low	59.7	Low	39 Å²	39	87.1 Å²	87.1	24%	0.236	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-70.2	-21.4	-174.6	176.9	0	0	0	0	113.3	K58 L115	K58-V60 PolarHBondContact O-N 3.39Å; V60-L115 HydrophobicContact CG1-CD2 3.93Å
61	F	40.9	Very low	62.1	Low	145 Å²	145	80 Å²	80	64%	0.636	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-104.1	1.8	-164.8	-73.5	-76	0	0	0	116.5	S59 D114	S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.98Å; F61-D114 WeakPolarHBondContact CA-OD1 3.21Å
62	S	52.3	Low	64.8	Low	112 Å²	112	76.6 Å²	76.6	78%	0.783	41%	0.413	S	S	*	.			trans	-159.1	66.9	179.1	-68.5	0	0	0	0	111.1	D114	S62-D114 PolarHBondContact N-OD1 2.93Å
63	R	64	Low	67.4	Low	52 Å²	52	81.5 Å²	81.5	20%	0.196	43%	0.425	C	S	.	.			trans	-96.5	134.6	173.3	-63.6	-178.4	-173.9	163.7	-7.5	109.6	A53 S59 Y113	A53-R63 PolarHBondContact O-NH2 3.36Å; A53-R63 VanDerWaalsContact O-NH2 3.17Å; S59-R63 WeakPolarHBondContact O-CG 3.46Å; S59-R63 PolarHBondContact O-NE 3.37Å; S59-R63 PolarHBondContact OG-NE 3.35Å; S59-R63 PolarHBondContact OG-NH2 3.15Å; R63-Y113 PolarHBondContact O-N 3.22Å; R63-Y113 VanDerWaalsContact O-O 3.09Å
64	K	73.7	Confident	69.8	Low	115 Å²	115	85.2 Å²	85.2	50%	0.5	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.2	170.8	-70.3	165.6	160.4	-132.6	0	108.1	V46 E110 V111	V46-K64 HydrophobicContact CB-CB 4.22Å; V46-K64 HydrophobicContact CG2-CB 3.79Å; V46-K64 WeakPolarHBondContact CG2-O 3.21Å; V46-K64 PolarHBondContact N-O 3.47Å; K64-E110 HydrophobicContact CB-CG 4.03Å; K64-E110 WeakPolarHBondContact CD-OE1 3.39Å; K64-E110 WeakPolarHBondContact CE-OE1 3.15Å; K64-E110 HydrophobicContact CG-CG 4.38Å; K64-E110 VanDerWaalsContact CG-OE1 3.26Å; K64-E110 WeakPolarHBondContact CG-OE1 3.48Å; K64-E110 IonicContact NZ-OE1 3.81Å; K64-E110 PolarHBondContact NZ-OE1 2.89Å; K64-E110 IonicContact NZ-OE2 2.93Å; K64-V111 WeakPolarHBondContact CA-O 3.12Å
65	A	81.5	Confident	72.2	Confident	5 Å²	5	77.4 Å²	77.4	4%	0.041	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.4	170.6	0	0	0	0	0	108.9	L43 T44 E110 V111	L43-A65 HydrophobicContact CB-CB 4.25Å; L43-A65 HydrophobicContact CD2-CB 4.4Å; T44-A65 CarbonylContact O-C 3.49Å; T44-A65 WeakPolarHBondContact O-CA 3.43Å; T44-A65 WeakPolarHBondContact O-CB 3.4Å; A65-E110 CarbonylContact O-C 3.48Å; A65-E110 WeakPolarHBondContact O-CA 3.2Å; A65-V111 HydrophobicContact CB-CG2 4.11Å; A65-V111 PolarHBondContact N-O 3.49Å; A65-V111 PolarHBondContact O-N 2.83Å
66	V	86.2	Confident	74.7	Confident	21 Å²	21	73.4 Å²	73.4	13%	0.127	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.1	172	171.8	0	0	0	0	108	T44 V46 R68 Q109 E110	T44-V66 PolarHBondContact N-O 2.98Å; T44-V66 PolarHBondContact O-N 3.38Å; V46-V66 HydrophobicContact CG2-CG2 3.63Å; V66-R68 HydrophobicContact CG1-CG 4.23Å; V66-R68 PolarHBondContact O-N 3Å; V66-Q109 WeakPolarHBondContact CA-O 3.45Å; V66-E110 HydrophobicContact CG2-CB 4.34Å; V66-E110 HydrophobicContact CG2-CG 4.27Å
67	V	90.9	Very high	77.1	Confident	1 Å²	1	73 Å²	73	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.5	170.1	-179.2	0	0	0	0	108.2	I41 L43 L106 D108 Q109 V111 F123	I41-V67 HydrophobicContact CD1-CG1 3.45Å; I41-V67 VanDerWaalsContact CD1-CG1 3.45Å; I41-V67 HydrophobicContact CG1-CG1 3.52Å; L43-V67 HydrophobicContact CD2-CB 4.45Å; L43-V67 HydrophobicContact CD2-CG2 3.61Å; V67-L106 WeakPolarHBondContact CB-O 3.3Å; V67-L106 HydrophobicContact CG1-CB 4.22Å; V67-L106 WeakPolarHBondContact CG1-O 3.48Å; V67-L106 HydrophobicContact CG2-CB 4.43Å; V67-D108 WeakPolarHBondContact O-CA 3.36Å; V67-D108 PolarHBondContact O-N 2.96Å; V67-Q109 PolarHBondContact N-O 2.84Å; V67-V111 HydrophobicContact CG2-CG1 4.44Å; V67-F123 HydrophobicContact CB-CZ 4.48Å; V67-F123 HydrophobicContact CG1-CE1 4.37Å; V67-F123 HydrophobicContact CG1-CE2 4.46Å; V67-F123 HydrophobicContact CG1-CZ 3.68Å; V67-F123 HydrophobicContact CG2-CE2 3.96Å; V67-F123 HydrophobicContact CG2-CZ 3.96Å
68	R	93.1	Very high	79.6	Confident	117 Å²	117	75.1 Å²	75.1	44%	0.442	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.9	-177.2	-64	-69.7	-171.4	153.2	4	110.3	I41 N42 V66 Q70	I41-R68 WeakPolarHBondContact CA-O 3.35Å; N42-R68 PolarHBondContact N-O 3.35Å; N42-R68 PolarHBondContact O-N 3.19Å; V66-R68 HydrophobicContact CG1-CG 4.23Å; V66-R68 PolarHBondContact O-N 3Å; R68-Q70 HydrophobicContact CB-CG 3.71Å
69	M	97.2	Very high	82.3	Confident	96 Å²	96	68.5 Å²	68.5	47%	0.473	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.2	160.3	-178.6	177.7	73.5	0	0	108.4	L35 Y39 I40 I107	L35-M69 HydrophobicContact CD1-CG 3.92Å; L35-M69 HydrophobicContact CD1-SD 4.05Å; Y39-M69 HydrophobicContact CD1-CE 4.47Å; Y39-M69 HydrophobicContact CD1-CG 3.92Å; Y39-M69 HydrophobicContact CD1-SD 4.32Å; Y39-M69 HydrophobicContact CG-CG 4.45Å; I40-M69 CarbonylContact O-C 3.51Å; I40-M69 VanDerWaalsContact O-CA 3.31Å; I40-M69 WeakPolarHBondContact O-CA 3.23Å; M69-I107 HydrophobicContact CB-CD1 3.95Å; M69-I107 HydrophobicContact CB-CG1 4.35Å; M69-I107 HydrophobicContact CB-CG2 4.49Å; M69-I107 HydrophobicContact SD-CD1 4.16Å
70	Q	97.2	Very high	84.7	Confident	60 Å²	60	69.9 Å²	69.9	28%	0.28	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.5	-174.1	-55.8	-168.8	-107.4	0	0	110.9	Y39 I40 N42 T44 R68 L72 V75	Y39-Q70 WeakPolarHBondContact CA-O 3.24Å; I40-Q70 WeakPolarHBondContact CG1-O 3.37Å; I40-Q70 PolarHBondContact N-O 3.47Å; I40-Q70 PolarHBondContact O-N 2.86Å; N42-Q70 PolarHBondContact ND2-OE1 3.04Å; N42-Q70 PolarHBondContact OD1-OE1 3Å; N42-Q70 VanDerWaalsContact OD1-OE1 3.13Å; T44-Q70 PolarHBondContact OG1-OE1 2.96Å; R68-Q70 HydrophobicContact CB-CG 3.71Å; Q70-L72 PolarHBondContact O-N 3.1Å; Q70-V75 HydrophobicContact CB-CG2 3.49Å; Q70-V75 VanDerWaalsContact CB-CG2 3.49Å; Q70-V75 HydrophobicContact CG-CG2 4.19Å
71	L	98.1	Very high	87.2	Confident	37 Å²	37	72.2 Å²	72.2	19%	0.194	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128	171.6	-74.3	166.4	0	0	0	109.6	Y39 K73 E74 V75	Y39-L71 HydrophobicContact CD1-CD2 4.07Å; Y39-L71 HydrophobicContact CD1-CG 4.34Å; Y39-L71 HydrophobicContact CD2-CD2 4.37Å; Y39-L71 HydrophobicContact CE1-CD2 3.69Å; Y39-L71 HydrophobicContact CE1-CG 3.88Å; Y39-L71 HydrophobicContact CE2-CD2 4.01Å; Y39-L71 HydrophobicContact CG-CD2 4.4Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 HydrophobicContact CB-CG 4.24Å; L71-K73 PolarHBondContact O-N 3.18Å; L71-E74 HydrophobicContact CB-CB 4.23Å; L71-E74 HydrophobicContact CB-CG 3.87Å; L71-E74 HydrophobicContact CD1-CG 4.34Å; L71-E74 WeakPolarHBondContact CD1-OE1 3.19Å; L71-E74 PolarHBondContact O-N 3.45Å; L71-V75 PolarHBondContact O-N 3.17Å; L71-V75 VanDerWaalsContact O-N 3.12Å
72	L	97.5	Very high	89.9	Confident	11 Å²	11	70.9 Å²	70.9	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-52	-47	179.2	174.8	58.1	0	0	0	111.2	P15 I21 I23 Y34 G38 I40 Q70 E74 V75 V76 Y81	P15-L72 HydrophobicContact CG-CD2 4.21Å; I21-L72 HydrophobicContact CG2-CD1 3.89Å; I23-L72 HydrophobicContact CD1-CD1 4.46Å; Y34-L72 HydrophobicContact CD2-CD2 4.4Å; Y34-L72 HydrophobicContact CE2-CD2 4.41Å; G38-L72 WeakPolarHBondContact O-CB 3.17Å; G38-L72 PolarHBondContact O-N 3.47Å; I40-L72 HydrophobicContact CD1-CD1 4.42Å; I40-L72 HydrophobicContact CG2-CB 4.01Å; I40-L72 HydrophobicContact CG2-CD1 3.94Å; I40-L72 HydrophobicContact CG2-CG 4.42Å; Q70-L72 PolarHBondContact O-N 3.1Å; L72-E74 PolarHBondContact O-N 2.86Å; L72-V75 PolarHBondContact O-N 2.84Å; L72-V76 HydrophobicContact CD1-CG2 3.57Å; L72-V76 HydrophobicContact CG-CG2 4.15Å; L72-V76 WeakPolarHBondContact O-CB 3.38Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.27Å; L72-V76 PolarHBondContact O-N 2.85Å; L72-Y81 HydrophobicContact CD2-CE1 4.35Å; L72-Y81 HydrophobicContact CD2-CE2 4.06Å
73	K	96.8	Very high	92.1	Very high	153 Å²	153	68.4 Å²	68.4	67%	0.665	34%	0.336	S	S	*	.	H	α-helix	trans	-57.6	-35.3	179.7	70.9	-179.4	-179.3	178.1	0	113.2	L71 G77	L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 HydrophobicContact CB-CG 4.24Å; L71-K73 PolarHBondContact O-N 3.18Å; K73-G77 PolarHBondContact O-N 2.81Å
74	E	96.2	Very high	93.6	Very high	126 Å²	126	66.7 Å²	66.7	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-78.5	-40.2	-176.9	-65	-179.3	169.8	0	0	110.6	L71 L72	L71-E74 HydrophobicContact CB-CB 4.23Å; L71-E74 HydrophobicContact CB-CG 3.87Å; L71-E74 HydrophobicContact CD1-CG 4.34Å; L71-E74 WeakPolarHBondContact CD1-OE1 3.19Å; L71-E74 PolarHBondContact O-N 3.45Å; L72-E74 PolarHBondContact O-N 2.86Å
75	V	94.4	Very high	94.7	Very high	15 Å²	15	62.9 Å²	62.9	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-42.3	176.3	179.9	0	0	0	0	110.5	I23 R25 I40 Q70 L71 L72	I23-V75 HydrophobicContact CD1-CG1 3.8Å; R25-V75 VanDerWaalsContact CZ-O 3.29Å; R25-V75 PolarHBondContact NH1-O 3.01Å; R25-V75 PolarHBondContact NH2-O 2.69Å; I40-V75 HydrophobicContact CD1-CB 3.87Å; I40-V75 HydrophobicContact CD1-CG1 4Å; I40-V75 HydrophobicContact CD1-CG2 3.86Å; Q70-V75 HydrophobicContact CB-CG2 3.49Å; Q70-V75 VanDerWaalsContact CB-CG2 3.49Å; Q70-V75 HydrophobicContact CG-CG2 4.19Å; L71-V75 PolarHBondContact O-N 3.17Å; L71-V75 VanDerWaalsContact O-N 3.12Å; L72-V75 PolarHBondContact O-N 2.84Å
76	V	95.2	Very high	95.3	Very high	12 Å²	12	65.4 Å²	65.4	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-49.3	176.1	171.1	0	0	0	0	110.8	I23 R25 L72 N78 D79 Y81	I23-V76 HydrophobicContact CD1-CG2 3.87Å; I23-V76 HydrophobicContact CG1-CG2 4.09Å; I23-V76 HydrophobicContact CG2-CG2 4.42Å; R25-V76 PolarHBondContact NH1-O 3.46Å; L72-V76 HydrophobicContact CD1-CG2 3.57Å; L72-V76 HydrophobicContact CG-CG2 4.15Å; L72-V76 WeakPolarHBondContact O-CB 3.38Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.27Å; L72-V76 PolarHBondContact O-N 2.85Å; V76-N78 PolarHBondContact O-N 3.33Å; V76-D79 WeakPolarHBondContact CG1-O 3.37Å; V76-D79 WeakPolarHBondContact O-CB 3.45Å; V76-D79 PolarHBondContact O-N 3.12Å; V76-D79 VanDerWaalsContact O-N 3.12Å; V76-Y81 HydrophobicContact CG1-CD1 4.11Å; V76-Y81 HydrophobicContact CG2-CD1 3.72Å; V76-Y81 HydrophobicContact CG2-CG 4.12Å
77	G	95.3	Very high	95.7	Very high	49 Å²	49	65.6 Å²	65.6	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-119.6	-178.3	0	0	0	0	0	111.7	K73	K73-G77 PolarHBondContact O-N 2.81Å
78	N	94.4	Very high	95.9	Very high	174 Å²	174	68.3 Å²	68.3	93%	0.93	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.3	178.9	-64.1	-35	0	0	0	113.6	V76	V76-N78 PolarHBondContact O-N 3.33Å
79	D	94.7	Very high	95.9	Very high	55 Å²	55	70 Å²	70	29%	0.294	36%	0.357	S	S	.	.	S	Bend	trans	-81.1	171.5	179.1	-66.2	-33.5	0	0	0	110.9	I23 F24 R25 V76	I23-D79 HydrophobicContact CG2-CB 4.31Å; F24-D79 WeakPolarHBondContact O-CB 3.44Å; R25-D79 WeakPolarHBondContact CD-OD2 3.5Å; R25-D79 IonicContact CZ-OD2 3.67Å; R25-D79 IonicContact NE-OD2 3.54Å; R25-D79 IonicContact NH1-OD2 2.64Å; R25-D79 PolarHBondContact NH1-OD2 2.91Å; V76-D79 WeakPolarHBondContact CG1-O 3.37Å; V76-D79 WeakPolarHBondContact O-CB 3.45Å; V76-D79 PolarHBondContact O-N 3.12Å; V76-D79 VanDerWaalsContact O-N 3.12Å
80	S	95.6	Very high	95.6	Very high	72 Å²	72	72 Å²	72	50%	0.503	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	162.2	170.2	59.8	0	0	0	0	111	F24	F24-S80 WeakPolarHBondContact CD2-O 3.42Å; F24-S80 WeakPolarHBondContact CD2-OG 3.27Å; F24-S80 PolarHBondContact N-O 2.65Å
81	Y	97	Very high	95.4	Very high	89 Å²	89	71.2 Å²	71.2	35%	0.349	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165.5	171.1	77	-87	0	0	0	110.9	I21 E22 L72 V76	I21-Y81 HydrophobicContact CG2-CD2 3.65Å; I21-Y81 HydrophobicContact CG2-CE2 4.46Å; I21-Y81 HydrophobicContact CG2-CG 4.13Å; E22-Y81 CarbonylContact O-C 3.57Å; E22-Y81 WeakPolarHBondContact O-CA 3.26Å; E22-Y81 WeakPolarHBondContact O-CB 3.41Å; L72-Y81 HydrophobicContact CD2-CE1 4.35Å; L72-Y81 HydrophobicContact CD2-CE2 4.06Å; V76-Y81 HydrophobicContact CG1-CD1 4.11Å; V76-Y81 HydrophobicContact CG2-CD1 3.72Å; V76-Y81 HydrophobicContact CG2-CG 4.12Å
82	R	97.1	Very high	95.3	Very high	116 Å²	116	75.5 Å²	75.5	44%	0.438	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.4	166.5	64.4	170.8	177.9	167.1	-4.7	111.3	E22 F24 N84	E22-R82 HydrophobicContact CB-CG 4.12Å; E22-R82 PolarHBondContact N-O 3.17Å; E22-R82 PolarHBondContact O-N 2.78Å; E22-R82 IonicContact OE1-NH2 3.95Å; E22-R82 IonicContact OE2-CZ 3.1Å; E22-R82 IonicContact OE2-NE 2.73Å; E22-R82 PolarHBondContact OE2-NE 3.32Å; E22-R82 IonicContact OE2-NH2 2.7Å; E22-R82 PolarHBondContact OE2-NH2 3.02Å; F24-R82 HydrophobicContact CE2-CB 4.16Å; F24-R82 HydrophobicContact CE2-CG 3.74Å; F24-R82 HydrophobicContact CZ-CG 3.77Å; R82-N84 HydrophobicContact CG-CB 4.18Å; R82-N84 VanDerWaalsContact CZ-ND2 3.3Å; R82-N84 PolarHBondContact NH2-ND2 3.11Å
83	I	98	Very high	95.3	Very high	60 Å²	60	77.2 Å²	77.2	31%	0.308	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.1	162.2	-59.6	161.5	0	0	0	107.1	P15 D19 L20 I21	P15-I83 HydrophobicContact CB-CD1 4.05Å; P15-I83 HydrophobicContact CB-CG1 4.04Å; D19-I83 HydrophobicContact CB-CG2 3.99Å; L20-I83 WeakPolarHBondContact O-CA 2.97Å; I21-I83 HydrophobicContact CD1-CG1 4.09Å
84	N	96.5	Very high	95.3	Very high	17 Å²	17	71.6 Å²	71.6	9%	0.091	38%	0.383	C	S	.	.			trans	-143.9	75.2	-175.2	-167.7	12	0	0	0	113.3	L20 E22 W31 R82 K86	L20-N84 PolarHBondContact O-N 2.96Å; E22-N84 HydrophobicContact CB-CB 4.12Å; E22-N84 PolarHBondContact OE2-ND2 3.13Å; W31-N84 HydrophobicContact CH2-CB 3.97Å; W31-N84 WeakPolarHBondContact CH2-ND2 3.38Å; W31-N84 HydrophobicContact CZ3-CB 4.13Å; R82-N84 HydrophobicContact CG-CB 4.18Å; R82-N84 VanDerWaalsContact CZ-ND2 3.3Å; R82-N84 PolarHBondContact NH2-ND2 3.11Å; N84-K86 PolarHBondContact O-N 3.42Å; N84-K86 VanDerWaalsContact OD1-CB 3.3Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 3.31Å
85	N	96.8	Very high	95.4	Very high	35 Å²	35	69.6 Å²	69.6	19%	0.187	38%	0.381	C	S	.	.			trans	-79.9	45.1	173.2	-59.1	-32.1	0	0	0	112.3	D19 L20 Y87 D88 R128	D19-N85 PolarHBondContact OD1-ND2 3.4Å; L20-N85 PolarHBondContact N-OD1 3.07Å; N85-Y87 PolarHBondContact O-N 2.98Å; N85-D88 WeakPolarHBondContact CB-OD2 3.36Å; N85-D88 WeakPolarHBondContact O-CB 3.46Å; N85-D88 PolarHBondContact O-N 3.07Å; N85-R128 VanDerWaalsContact CG-CZ 3.46Å; N85-R128 PolarHBondContact ND2-NH2 3.15Å; N85-R128 PolarHBondContact OD1-NH1 3.33Å
86	K	93.6	Very high	95.6	Very high	58 Å²	58	72.5 Å²	72.5	25%	0.252	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-9.8	-170.8	62.8	-178.6	-174.5	-173.9	0	116.6	W31 N84 E121 E135	W31-K86 HydrophobicContact CH2-CD 4.22Å; N84-K86 PolarHBondContact O-N 3.42Å; N84-K86 VanDerWaalsContact OD1-CB 3.3Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 3.31Å; K86-E121 WeakPolarHBondContact CE-OE1 3.42Å; K86-E121 IonicContact NZ-OE1 2.71Å; K86-E121 PolarHBondContact NZ-OE1 3.14Å; K86-E135 IonicContact NZ-OE1 2.79Å; K86-E135 PolarHBondContact NZ-OE1 3.48Å
87	Y	93.9	Very high	95.7	Very high	24 Å²	24	81 Å²	81	9%	0.094	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-6.5	-179.2	-59.3	-68.6	0	0	0	113.4	N85 D89 N90 H91 E121 T125 Y129 V133	N85-Y87 PolarHBondContact O-N 2.98Å; Y87-D89 PolarHBondContact O-N 3.47Å; Y87-D89 VanDerWaalsContact O-N 3.17Å; Y87-N90 PolarHBondContact O-N 3.36Å; Y87-H91 WeakPolarHBondContact O-CB 3.47Å; Y87-H91 PolarHBondContact O-N 3.39Å; Y87-H91 PolarHBondContact O-ND1 3.09Å; Y87-E121 HydrophobicContact CE2-CG 4.42Å; Y87-E121 PolarHBondContact OH-OE1 2.83Å; Y87-T125 HydrophobicContact CD2-CG2 3.71Å; Y87-T125 HydrophobicContact CE2-CG2 3.75Å; Y87-Y129 HydrophobicContact CD2-CE2 4.18Å; Y87-Y129 HydrophobicContact CG-CE2 4.4Å; Y87-V133 HydrophobicContact CD1-CG1 4.12Å; Y87-V133 HydrophobicContact CE1-CG1 3.68Å
88	D	95.4	Very high	95.8	Very high	58 Å²	58	81.8 Å²	81.8	31%	0.31	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.7	-179.8	-79	4.4	0	0	0	112.7	N85 N90 H91 R128 Y129	N85-D88 WeakPolarHBondContact CB-OD2 3.36Å; N85-D88 WeakPolarHBondContact O-CB 3.46Å; N85-D88 PolarHBondContact O-N 3.07Å; D88-N90 PolarHBondContact O-N 2.95Å; D88-H91 WeakPolarHBondContact CA-O 3.49Å; D88-R128 IonicContact OD1-CZ 2.65Å; D88-R128 IonicContact OD1-NE 3.38Å; D88-R128 PolarHBondContact OD1-NE 3.04Å; D88-R128 IonicContact OD1-NH2 3.17Å; D88-R128 PolarHBondContact OD1-NH2 2.93Å; D88-R128 IonicContact OD2-CZ 3.66Å; D88-R128 IonicContact OD2-NH2 3.25Å; D88-R128 PolarHBondContact OD2-NH2 3.41Å; D88-Y129 VanDerWaalsContact OD1-CE1 3.29Å; D88-Y129 WeakPolarHBondContact OD1-CE1 3.37Å; D88-Y129 PolarHBondContact OD1-OH 2.81Å
89	D	92.9	Very high	96	Very high	152 Å²	152	73.5 Å²	73.5	81%	0.813	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.6	177.3	-71.1	-19	0	0	0	113.1	Y87	Y87-D89 PolarHBondContact O-N 3.47Å; Y87-D89 VanDerWaalsContact O-N 3.17Å
90	N	91.9	Very high	96.1	Very high	140 Å²	140	72.1 Å²	72.1	75%	0.749	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-12	-174.2	-64.7	-42.9	0	0	0	113.7	Y87 D88	Y87-N90 PolarHBondContact O-N 3.36Å; D88-N90 PolarHBondContact O-N 2.95Å
91	H	91.9	Very high	96.2	Very high	43 Å²	43	72.7 Å²	72.7	20%	0.199	36%	0.362	C	S	.	.	S	Bend	trans	-135.6	121.8	-178.2	-56.6	81.3	0	0	0	109	Y87 D88 P93 Y129 E131	Y87-H91 WeakPolarHBondContact O-CB 3.47Å; Y87-H91 PolarHBondContact O-N 3.39Å; Y87-H91 PolarHBondContact O-ND1 3.09Å; D88-H91 WeakPolarHBondContact CA-O 3.49Å; H91-P93 WeakPolarHBondContact O-CD 3.35Å; H91-Y129 HydrophobicContact CB-CD1 3.55Å; H91-Y129 HydrophobicContact CB-CE1 3.99Å; H91-Y129 HydrophobicContact CB-CG 3.88Å; H91-Y129 WeakPolarHBondContact O-CE1 3.03Å; H91-E131 IonicContact CD2-OE1 3.24Å; H91-E131 PolarHBondContact CD2-OE1 3.01Å; H91-E131 VanDerWaalsContact CD2-OE1 3.24Å
92	T	95.5	Very high	96.1	Very high	127 Å²	127	72.6 Å²	72.6	78%	0.779	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-71.8	122.9	176.6	-55.8	0	0	0	0	109.5
93	P	97.4	Very high	95.9	Very high	47 Å²	47	67.1 Å²	67.1	31%	0.305	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.4	147	174.8	28.1	-34.5	0	0	0	110.4	H91 R128 Y129	H91-P93 WeakPolarHBondContact O-CD 3.35Å; P93-R128 HydrophobicContact CB-CG 3.97Å; P93-Y129 HydrophobicContact CB-CD1 4.32Å; P93-Y129 HydrophobicContact CB-CE1 4.17Å
94	L	97.8	Very high	95.7	Very high	35 Å²	35	69.8 Å²	69.8	18%	0.183	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.7	160.4	172.2	-65	168.4	0	0	0	110.5	V96 I99 R128	L94-V96 PolarHBondContact O-N 2.63Å; L94-I99 HydrophobicContact CB-CD1 4.36Å; L94-I99 HydrophobicContact CB-CG1 3.78Å; L94-I99 VanDerWaalsContact O-CD1 3.3Å; L94-I99 WeakPolarHBondContact O-CD1 3.39Å; L94-R128 WeakPolarHBondContact CB-O 3.04Å; L94-R128 WeakPolarHBondContact CG-O 3.43Å; L94-R128 PolarHBondContact N-O 2.92Å
95	P	98.4	Very high	95.6	Very high	84 Å²	84	74 Å²	74	55%	0.545	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-53.4	133.7	170.7	-24.4	34.3	0	0	0	110.6	R97 E98 I99	P95-R97 PolarHBondContact O-N 3.16Å; P95-R97 VanDerWaalsContact O-N 3.07Å; P95-E98 HydrophobicContact CB-CB 4.41Å; P95-E98 WeakPolarHBondContact O-CA 3.47Å; P95-E98 VanDerWaalsContact O-CB 3.31Å; P95-E98 WeakPolarHBondContact O-CB 3.44Å; P95-E98 PolarHBondContact O-N 2.79Å; P95-I99 PolarHBondContact O-N 3.47Å; P95-I99 VanDerWaalsContact O-N 3.08Å
96	V	98.1	Very high	95.4	Very high	76 Å²	76	74.5 Å²	74.5	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-48.9	-43.8	-176.7	172.8	0	0	0	0	112.1	P17 L94 E98 I99 I100	P17-V96 HydrophobicContact CB-CG1 3.88Å; P17-V96 WeakPolarHBondContact O-CG1 3.03Å; L94-V96 PolarHBondContact O-N 2.63Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 3.07Å; V96-I99 WeakPolarHBondContact O-CB 2.99Å; V96-I99 PolarHBondContact O-N 3.16Å; V96-I99 VanDerWaalsContact O-N 3.14Å; V96-I100 HydrophobicContact CG1-CG1 4.23Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.97Å
97	R	97.8	Very high	95.3	Very high	189 Å²	189	73.9 Å²	73.9	71%	0.713	38%	0.379	S	S	*	.	H	α-helix	trans	-55.5	-40.9	176.5	-177.7	176.3	-176.2	-113.4	2.5	112.8	P95 Q101	P95-R97 PolarHBondContact O-N 3.16Å; P95-R97 VanDerWaalsContact O-N 3.07Å; R97-Q101 WeakPolarHBondContact O-CB 3.32Å; R97-Q101 WeakPolarHBondContact O-CG 3.26Å; R97-Q101 PolarHBondContact O-N 3.26Å
98	E	97.6	Very high	95.2	Very high	66 Å²	66	78 Å²	78	31%	0.308	40%	0.403	S	S	.	.	H	α-helix	trans	-71.2	-40.7	178.5	-176.1	173.5	174.6	0	0	111.7	P95 V96 I100 Q101 R102	P95-E98 HydrophobicContact CB-CB 4.41Å; P95-E98 WeakPolarHBondContact O-CA 3.47Å; P95-E98 VanDerWaalsContact O-CB 3.31Å; P95-E98 WeakPolarHBondContact O-CB 3.44Å; P95-E98 PolarHBondContact O-N 2.79Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 3.07Å; E98-I100 VanDerWaalsContact C-N 3.34Å; E98-I100 PolarHBondContact O-N 3.14Å; E98-Q101 PolarHBondContact O-N 3.31Å; E98-R102 HydrophobicContact CG-CG 4.46Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.13Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 2.99Å; E98-R102 VanDerWaalsContact OE1-CZ 3.25Å; E98-R102 IonicContact OE1-NE 2.65Å; E98-R102 PolarHBondContact OE1-NE 3.08Å; E98-R102 IonicContact OE1-NH2 2.69Å; E98-R102 PolarHBondContact OE1-NH2 3.29Å
99	I	97.9	Very high	94.8	Very high	1 Å²	1	79.4 Å²	79.4	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-56.4	-50.7	174.6	-61.6	175.7	0	0	0	110.2	L33 L94 P95 V96 R102 A103 R128	L33-I99 HydrophobicContact CD1-CG2 3.57Å; L33-I99 HydrophobicContact CD2-CG2 3.83Å; L33-I99 HydrophobicContact CG-CG2 4.3Å; L94-I99 HydrophobicContact CB-CD1 4.36Å; L94-I99 HydrophobicContact CB-CG1 3.78Å; L94-I99 VanDerWaalsContact O-CD1 3.3Å; L94-I99 WeakPolarHBondContact O-CD1 3.39Å; P95-I99 PolarHBondContact O-N 3.47Å; P95-I99 VanDerWaalsContact O-N 3.08Å; V96-I99 WeakPolarHBondContact O-CB 2.99Å; V96-I99 PolarHBondContact O-N 3.16Å; V96-I99 VanDerWaalsContact O-N 3.14Å; I99-R102 PolarHBondContact O-N 3.07Å; I99-A103 WeakPolarHBondContact O-CB 3.31Å; I99-A103 PolarHBondContact O-N 3.15Å; I99-R128 HydrophobicContact CD1-CB 4.43Å; I99-R128 HydrophobicContact CD1-CG 4.04Å
100	I	97.8	Very high	94.3	Very high	26 Å²	26	76.9 Å²	76.9	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-45.5	-179.4	-60	-52.7	0	0	0	110.9	P17 L35 V96 E98 R102 A103 E104	P17-I100 HydrophobicContact CB-CD1 4.25Å; L35-I100 HydrophobicContact CB-CD1 4.35Å; L35-I100 HydrophobicContact CD2-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.23Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.97Å; E98-I100 VanDerWaalsContact C-N 3.34Å; E98-I100 PolarHBondContact O-N 3.14Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.37Å; I100-A103 WeakPolarHBondContact O-CB 3.17Å; I100-A103 PolarHBondContact O-N 3.34Å; I100-A103 VanDerWaalsContact O-N 3.15Å; I100-E104 HydrophobicContact CG2-CG 4.24Å; I100-E104 WeakPolarHBondContact O-CG 2.93Å; I100-E104 PolarHBondContact O-N 3.05Å
101	Q	96.8	Very high	93.5	Very high	83 Å²	83	72.1 Å²	72.1	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-42.7	177.2	-77.6	174.5	-12.2	0	0	112.7	R97 E98 V105	R97-Q101 WeakPolarHBondContact O-CB 3.32Å; R97-Q101 WeakPolarHBondContact O-CG 3.26Å; R97-Q101 PolarHBondContact O-N 3.26Å; E98-Q101 PolarHBondContact O-N 3.31Å; Q101-V105 WeakPolarHBondContact O-CG2 3.45Å; Q101-V105 PolarHBondContact O-N 3.36Å
102	R	94.3	Very high	92.3	Very high	88 Å²	88	74.9 Å²	74.9	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.1	-72.3	171.3	177.7	-147.2	4.4	111.3	E98 I99 I100 L106 L127 G130	E98-R102 HydrophobicContact CG-CG 4.46Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.13Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 2.99Å; E98-R102 VanDerWaalsContact OE1-CZ 3.25Å; E98-R102 IonicContact OE1-NE 2.65Å; E98-R102 PolarHBondContact OE1-NE 3.08Å; E98-R102 IonicContact OE1-NH2 2.69Å; E98-R102 PolarHBondContact OE1-NH2 3.29Å; I99-R102 PolarHBondContact O-N 3.07Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.37Å; R102-L106 WeakPolarHBondContact O-CG 3.38Å; R102-L127 HydrophobicContact CB-CD2 3.86Å; R102-G130 VanDerWaalsContact NH1-CA 3.26Å
103	A	94.3	Very high	90.5	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-49.5	178.2	0	0	0	0	0	111.7	L35 I41 I99 I100 V105 L106 I107 L127	L35-A103 HydrophobicContact CD2-CB 3.65Å; I41-A103 HydrophobicContact CD1-CB 3.77Å; I41-A103 WeakPolarHBondContact CD1-O 3.23Å; I41-A103 HydrophobicContact CG2-CB 4.1Å; I99-A103 WeakPolarHBondContact O-CB 3.31Å; I99-A103 PolarHBondContact O-N 3.15Å; I100-A103 WeakPolarHBondContact O-CB 3.17Å; I100-A103 PolarHBondContact O-N 3.34Å; I100-A103 VanDerWaalsContact O-N 3.15Å; A103-V105 VanDerWaalsContact C-N 3.32Å; A103-V105 PolarHBondContact O-N 2.9Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-N 3.07Å; A103-I107 PolarHBondContact O-N 3.24Å; A103-L127 HydrophobicContact CB-CD1 4.13Å; A103-L127 HydrophobicContact CB-CD2 4.38Å
104	E	94.1	Very high	88.5	Confident	116 Å²	116	73.5 Å²	73.5	54%	0.542	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-40.3	-178.2	-73.7	176.2	164.5	0	0	113	I100 L106 I107	I100-E104 HydrophobicContact CG2-CG 4.24Å; I100-E104 WeakPolarHBondContact O-CG 2.93Å; I100-E104 PolarHBondContact O-N 3.05Å; E104-L106 PolarHBondContact O-N 2.71Å; E104-I107 PolarHBondContact O-N 2.86Å
105	V	94.4	Very high	86.3	Confident	105 Å²	105	75.1 Å²	75.1	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-64.4	-26.9	179.2	170.8	0	0	0	0	112.4	Q101 A103 Q109	Q101-V105 WeakPolarHBondContact O-CG2 3.45Å; Q101-V105 PolarHBondContact O-N 3.36Å; A103-V105 VanDerWaalsContact C-N 3.32Å; A103-V105 PolarHBondContact O-N 2.9Å; V105-Q109 PolarHBondContact O-NE2 2.93Å
106	L	91.3	Very high	84.2	Confident	47 Å²	47	73.3 Å²	73.3	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-89.7	-9.9	-177.5	-63.1	-178.2	0	0	0	113.6	V67 R102 A103 E104 D108 Q109 F123 L127	V67-L106 WeakPolarHBondContact CB-O 3.3Å; V67-L106 HydrophobicContact CG1-CB 4.22Å; V67-L106 WeakPolarHBondContact CG1-O 3.48Å; V67-L106 HydrophobicContact CG2-CB 4.43Å; R102-L106 WeakPolarHBondContact O-CG 3.38Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-N 3.07Å; E104-L106 PolarHBondContact O-N 2.71Å; L106-D108 PolarHBondContact O-N 2.97Å; L106-Q109 VanDerWaalsContact O-CB 3.28Å; L106-Q109 WeakPolarHBondContact O-CB 3.41Å; L106-Q109 WeakPolarHBondContact O-CG 3.43Å; L106-Q109 PolarHBondContact O-N 2.81Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; L106-F123 HydrophobicContact CD1-CE2 3.8Å; L106-F123 HydrophobicContact CD1-CZ 4.37Å; L106-L127 HydrophobicContact CD1-CD2 3.89Å
107	I	92.1	Very high	82.2	Confident	44 Å²	44	70.8 Å²	70.8	23%	0.226	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.5	-179.9	-65.1	172	0	0	0	110.4	I41 M69 A103 E104 Q109	I41-I107 HydrophobicContact CD1-CG1 4.01Å; M69-I107 HydrophobicContact CB-CD1 3.95Å; M69-I107 HydrophobicContact CB-CG1 4.35Å; M69-I107 HydrophobicContact CB-CG2 4.49Å; M69-I107 HydrophobicContact SD-CD1 4.16Å; A103-I107 PolarHBondContact O-N 3.24Å; E104-I107 PolarHBondContact O-N 2.86Å; I107-Q109 PolarHBondContact O-N 2.82Å; I107-Q109 VanDerWaalsContact O-N 3.11Å
108	D	90.9	Very high	80.6	Confident	111 Å²	111	63 Å²	63	59%	0.594	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	5	-178.1	-60.7	-41	0	0	0	115.5	V67 L106	V67-D108 WeakPolarHBondContact O-CA 3.36Å; V67-D108 PolarHBondContact O-N 2.96Å; L106-D108 PolarHBondContact O-N 2.97Å
109	Q	86.8	Confident	79.4	Confident	88 Å²	88	60.9 Å²	60.9	41%	0.411	32%	0.32	S	S	.	.			trans	-74.2	138.8	171.8	-61.4	-167.9	16.2	0	0	111.1	V66 V67 V105 L106 I107	V66-Q109 WeakPolarHBondContact CA-O 3.45Å; V67-Q109 PolarHBondContact N-O 2.84Å; V105-Q109 PolarHBondContact O-NE2 2.93Å; L106-Q109 VanDerWaalsContact O-CB 3.28Å; L106-Q109 WeakPolarHBondContact O-CB 3.41Å; L106-Q109 WeakPolarHBondContact O-CG 3.43Å; L106-Q109 PolarHBondContact O-N 2.81Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; I107-Q109 PolarHBondContact O-N 2.82Å; I107-Q109 VanDerWaalsContact O-N 3.11Å
110	E	83.8	Confident	78.8	Confident	98 Å²	98	60.9 Å²	60.9	46%	0.458	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.3	171.8	-164.9	-167.8	104	0	0	110.1	V46 K64 A65 V66	V46-E110 HydrophobicContact CG2-CG 4.29Å; K64-E110 HydrophobicContact CB-CG 4.03Å; K64-E110 WeakPolarHBondContact CD-OE1 3.39Å; K64-E110 WeakPolarHBondContact CE-OE1 3.15Å; K64-E110 HydrophobicContact CG-CG 4.38Å; K64-E110 VanDerWaalsContact CG-OE1 3.26Å; K64-E110 WeakPolarHBondContact CG-OE1 3.48Å; K64-E110 IonicContact NZ-OE1 3.81Å; K64-E110 PolarHBondContact NZ-OE1 2.89Å; K64-E110 IonicContact NZ-OE2 2.93Å; A65-E110 CarbonylContact O-C 3.48Å; A65-E110 WeakPolarHBondContact O-CA 3.2Å; V66-E110 HydrophobicContact CG2-CB 4.34Å; V66-E110 HydrophobicContact CG2-CG 4.27Å
111	V	75.4	Confident	78.4	Confident	40 Å²	40	60 Å²	60	24%	0.242	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	177	-61.4	0	0	0	0	109.9	L43 K64 A65 V67	L43-V111 HydrophobicContact CD1-CG2 4.45Å; L43-V111 HydrophobicContact CD2-CG2 3.54Å; K64-V111 WeakPolarHBondContact CA-O 3.12Å; A65-V111 HydrophobicContact CB-CG2 4.11Å; A65-V111 PolarHBondContact N-O 3.49Å; A65-V111 PolarHBondContact O-N 2.83Å; V67-V111 HydrophobicContact CG2-CG1 4.44Å
112	S	66.9	Low	78	Confident	101 Å²	101	58.5 Å²	58.5	71%	0.706	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	110	175.1	55.4	0	0	0	0	109.5
113	Y	56.6	Low	77.8	Confident	81 Å²	81	55 Å²	55	32%	0.318	30%	0.295	S	S	.	.			trans	-151.6	134.4	-163.5	-126.8	-119.3	0	0	0	114.5	L43 R63 N119 H122	L43-Y113 HydrophobicContact CD1-CD1 4.46Å; R63-Y113 PolarHBondContact O-N 3.22Å; R63-Y113 VanDerWaalsContact O-O 3.09Å; Y113-N119 HydrophobicContact CD1-CB 3.36Å; Y113-N119 WeakPolarHBondContact CD1-ND2 3.33Å; Y113-N119 HydrophobicContact CE1-CB 3.48Å; Y113-N119 VanDerWaalsContact CE1-CB 3.48Å; Y113-N119 VanDerWaalsContact CE1-OD1 3.23Å; Y113-N119 WeakPolarHBondContact CE1-OD1 3.37Å; Y113-H122 PolarHBondContact OH-CD2 2.77Å
114	D	55.7	Low	77.8	Confident	64 Å²	64	55 Å²	55	34%	0.342	30%	0.295	S	S	.	.	S	Bend	trans	-96.7	115.9	-174.7	-86.5	-4.9	0	0	0	113.7	F61 S62 N119	F61-D114 WeakPolarHBondContact CA-OD1 3.21Å; S62-D114 PolarHBondContact N-OD1 2.93Å; D114-N119 PolarHBondContact N-ND2 3.29Å; D114-N119 VanDerWaalsContact N-ND2 3.16Å; D114-N119 PolarHBondContact O-ND2 2.89Å; D114-N119 PolarHBondContact O-OD1 2.82Å; D114-N119 VanDerWaalsContact O-OD1 3.09Å
115	L	52.3	Low	77.8	Confident	70 Å²	70	49.5 Å²	49.5	37%	0.366	27%	0.269	S	S	.	.			trans	79	105.3	173.9	-53.8	173.1	0	0	0	117.4	V60 G117 N119	V60-L115 HydrophobicContact CG1-CD2 3.93Å; L115-G117 PolarHBondContact O-N 3.1Å; L115-N119 PolarHBondContact N-ND2 3.21Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 3.11Å; L115-N119 PolarHBondContact O-ND2 3.47Å; L115-N119 VanDerWaalsContact O-ND2 3.16Å
116	L	53.2	Low	77.7	Confident	46 Å²	46	48 Å²	48	24%	0.241	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	5.6	-172.8	-61	165.5	0	0	0	117.2	P45 C120	P45-L116 HydrophobicContact CG-CD1 3.63Å; P45-L116 HydrophobicContact CG-CD2 3.72Å; P45-L116 HydrophobicContact CG-CG 4.32Å; L116-C120 PolarHBondContact O-SG 2.85Å
117	G	55.9	Low	77.9	Confident	22 Å²	22	46 Å²	46	23%	0.227	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-73.6	175.9	0	0	0	0	0	111.6	L115 N119 C120 E121	L115-G117 PolarHBondContact O-N 3.1Å; G117-N119 PolarHBondContact O-N 3.08Å; G117-C120 PolarHBondContact O-N 3.22Å; G117-C120 VanDerWaalsContact O-N 3.15Å; G117-E121 PolarHBondContact O-N 3.07Å
118	S	64.3	Low	78.1	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-28.3	177.9	-50.2	0	0	0	0	113.2	H122 S134 Q136	S118-H122 VanDerWaalsContact O-CB 3.25Å; S118-H122 WeakPolarHBondContact O-CB 3.41Å; S118-H122 PolarHBondContact O-N 2.82Å; S118-S134 VanDerWaalsContact O-CB 3.32Å; S118-S134 WeakPolarHBondContact O-CB 3.41Å; S118-Q136 VanDerWaalsContact CB-OE1 3.28Å; S118-Q136 WeakPolarHBondContact OG-CB 3.49Å; S118-Q136 PolarHBondContact OG-OE1 3.05Å
119	N	72.7	Confident	78.4	Confident	22 Å²	22	40 Å²	40	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-76.8	-41	-179.7	-77.5	-0.4	0	0	0	114.8	Y113 D114 L115 G117 H122 F123	Y113-N119 HydrophobicContact CD1-CB 3.36Å; Y113-N119 WeakPolarHBondContact CD1-ND2 3.33Å; Y113-N119 HydrophobicContact CE1-CB 3.48Å; Y113-N119 VanDerWaalsContact CE1-CB 3.48Å; Y113-N119 VanDerWaalsContact CE1-OD1 3.23Å; Y113-N119 WeakPolarHBondContact CE1-OD1 3.37Å; D114-N119 PolarHBondContact N-ND2 3.29Å; D114-N119 VanDerWaalsContact N-ND2 3.16Å; D114-N119 PolarHBondContact O-ND2 2.89Å; D114-N119 PolarHBondContact O-OD1 2.82Å; D114-N119 VanDerWaalsContact O-OD1 3.09Å; L115-N119 PolarHBondContact N-ND2 3.21Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 3.11Å; L115-N119 PolarHBondContact O-ND2 3.47Å; L115-N119 VanDerWaalsContact O-ND2 3.16Å; G117-N119 PolarHBondContact O-N 3.08Å; N119-H122 PolarHBondContact O-N 3.13Å; N119-F123 VanDerWaalsContact O-CB 3.26Å; N119-F123 WeakPolarHBondContact O-CB 3.43Å; N119-F123 PolarHBondContact O-N 2.95Å
120	C	85.4	Confident	78.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-40.9	176.7	-64.9	0	0	0	0	108.8	H30 W31 L116 G117 F123 V124	H30-C120 VanDerWaalsContact CE1-SG 3.57Å; W31-C120 HydrophobicContact CB-CB 3.85Å; L116-C120 PolarHBondContact O-SG 2.85Å; G117-C120 PolarHBondContact O-N 3.22Å; G117-C120 VanDerWaalsContact O-N 3.15Å; C120-F123 PolarHBondContact O-N 2.88Å; C120-V124 WeakPolarHBondContact O-CG1 3.4Å; C120-V124 WeakPolarHBondContact O-CG2 3.29Å; C120-V124 PolarHBondContact O-N 2.93Å; C120-V124 VanDerWaalsContact O-N 3.07Å
121	E	90.3	Very high	78.4	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-49.5	173.3	-171.6	177.6	-139.1	0	0	111.5	W31 K86 Y87 G117 F123 V124 T125 S134 E135	W31-E121 HydrophobicContact CB-CB 4.44Å; W31-E121 HydrophobicContact CD2-CB 4.25Å; W31-E121 HydrophobicContact CD2-CG 4.21Å; W31-E121 HydrophobicContact CG-CB 3.89Å; W31-E121 HydrophobicContact CG-CG 4.38Å; K86-E121 WeakPolarHBondContact CE-OE1 3.42Å; K86-E121 IonicContact NZ-OE1 2.71Å; K86-E121 PolarHBondContact NZ-OE1 3.14Å; Y87-E121 HydrophobicContact CE2-CG 4.42Å; Y87-E121 PolarHBondContact OH-OE1 2.83Å; G117-E121 PolarHBondContact O-N 3.07Å; E121-F123 VanDerWaalsContact C-N 3.31Å; E121-F123 PolarHBondContact O-N 2.59Å; E121-V124 WeakPolarHBondContact O-CG2 3.31Å; E121-V124 PolarHBondContact O-N 3.33Å; E121-T125 WeakPolarHBondContact O-CB 3.44Å; E121-T125 VanDerWaalsContact O-CG2 3.31Å; E121-T125 WeakPolarHBondContact O-CG2 3.32Å; E121-T125 PolarHBondContact O-N 3.48Å; E121-T125 PolarHBondContact O-OG1 2.99Å; E121-S134 WeakPolarHBondContact OE2-CA 3.45Å; E121-S134 VanDerWaalsContact OE2-CB 3.29Å; E121-S134 WeakPolarHBondContact OE2-CB 3.5Å; E121-E135 PolarHBondContact OE2-N 3.31Å
122	H	87.1	Confident	78.4	Confident	50 Å²	50	37 Å²	37	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-40	177.6	-173.2	92.2	0	0	0	112.8	Y113 S118 N119 T125 L126 G132	Y113-H122 PolarHBondContact OH-CD2 2.77Å; S118-H122 VanDerWaalsContact O-CB 3.25Å; S118-H122 WeakPolarHBondContact O-CB 3.41Å; S118-H122 PolarHBondContact O-N 2.82Å; N119-H122 PolarHBondContact O-N 3.13Å; H122-T125 WeakPolarHBondContact CA-OG1 3.44Å; H122-T125 PolarHBondContact O-OG1 2.93Å; H122-L126 WeakPolarHBondContact O-CB 3.18Å; H122-L126 PolarHBondContact O-N 2.65Å; H122-G132 VanDerWaalsContact CE1-C 3.41Å; H122-G132 VanDerWaalsContact CE1-CA 3.41Å; H122-G132 WeakPolarHBondContact CE1-CA 3.41Å; H122-G132 PolarHBondContact CE1-O 2.98Å; H122-G132 VanDerWaalsContact ND1-C 3.26Å; H122-G132 PolarHBondContact ND1-O 3.17Å; H122-G132 VanDerWaalsContact ND1-O 3.14Å; H122-G132 WeakPolarHBondContact O-CA 3.34Å
123	F	90.3	Very high	78.7	Confident	15 Å²	15	33 Å²	33	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-49.2	178.7	170.9	-105	0	0	0	111.8	I41 L43 V67 L106 N119 C120 E121 T125 L126 L127	I41-F123 HydrophobicContact CD1-CZ 4.22Å; I41-F123 HydrophobicContact CG1-CE1 4.22Å; I41-F123 HydrophobicContact CG1-CZ 4.31Å; I41-F123 HydrophobicContact CG2-CE1 4.43Å; L43-F123 HydrophobicContact CD1-CB 3.76Å; L43-F123 HydrophobicContact CD1-CD1 4.45Å; L43-F123 HydrophobicContact CD1-CD2 4.45Å; L43-F123 HydrophobicContact CD1-CG 3.98Å; L43-F123 HydrophobicContact CD2-CD2 4.34Å; L43-F123 HydrophobicContact CD2-CE2 4.47Å; L43-F123 HydrophobicContact CD2-CG 4.36Å; L43-F123 HydrophobicContact CG-CB 4.25Å; L43-F123 HydrophobicContact CG-CD1 4Å; L43-F123 HydrophobicContact CG-CD2 4.42Å; L43-F123 HydrophobicContact CG-CE1 4.49Å; L43-F123 HydrophobicContact CG-CG 3.96Å; V67-F123 HydrophobicContact CB-CZ 4.48Å; V67-F123 HydrophobicContact CG1-CE1 4.37Å; V67-F123 HydrophobicContact CG1-CE2 4.46Å; V67-F123 HydrophobicContact CG1-CZ 3.68Å; V67-F123 HydrophobicContact CG2-CE2 3.96Å; V67-F123 HydrophobicContact CG2-CZ 3.96Å; L106-F123 HydrophobicContact CD1-CE2 3.8Å; L106-F123 HydrophobicContact CD1-CZ 4.37Å; N119-F123 VanDerWaalsContact O-CB 3.26Å; N119-F123 WeakPolarHBondContact O-CB 3.43Å; N119-F123 PolarHBondContact O-N 2.95Å; C120-F123 PolarHBondContact O-N 2.88Å; E121-F123 VanDerWaalsContact C-N 3.31Å; E121-F123 PolarHBondContact O-N 2.59Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 2.73Å; F123-L126 WeakPolarHBondContact O-CB 3.35Å; F123-L126 PolarHBondContact O-N 2.79Å; F123-L127 HydrophobicContact CD1-CD1 4.3Å; F123-L127 HydrophobicContact CE1-CD1 3.66Å; F123-L127 HydrophobicContact CE2-CD1 4.28Å; F123-L127 HydrophobicContact CZ-CD1 3.65Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 PolarHBondContact O-N 2.71Å; F123-L127 VanDerWaalsContact O-N 3.13Å
124	V	94.3	Very high	79.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.5	-29.3	-176.9	-58.8	0	0	0	0	112.4	L20 W31 A32 L33 C120 E121 L127 R128	L20-V124 HydrophobicContact CD2-CB 3.86Å; L20-V124 HydrophobicContact CD2-CG2 3.8Å; W31-V124 HydrophobicContact CB-CG2 4.03Å; W31-V124 HydrophobicContact CE3-CG2 4.26Å; A32-V124 VanDerWaalsContact C-CG1 3.49Å; L33-V124 HydrophobicContact CB-CB 4.14Å; L33-V124 HydrophobicContact CB-CG1 4.08Å; C120-V124 WeakPolarHBondContact O-CG1 3.4Å; C120-V124 WeakPolarHBondContact O-CG2 3.29Å; C120-V124 PolarHBondContact O-N 2.93Å; C120-V124 VanDerWaalsContact O-N 3.07Å; E121-V124 WeakPolarHBondContact O-CG2 3.31Å; E121-V124 PolarHBondContact O-N 3.33Å; V124-L127 PolarHBondContact O-N 2.7Å; V124-R128 WeakPolarHBondContact O-CB 3.25Å; V124-R128 PolarHBondContact O-N 3.24Å
125	T	93.8	Very high	79.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-38	172.1	50.7	0	0	0	0	112	L20 Y87 E121 H122 F123 L127 R128 Y129 E131 V133	L20-T125 HydrophobicContact CD1-CG2 4.22Å; Y87-T125 HydrophobicContact CD2-CG2 3.71Å; Y87-T125 HydrophobicContact CE2-CG2 3.75Å; E121-T125 WeakPolarHBondContact O-CB 3.44Å; E121-T125 VanDerWaalsContact O-CG2 3.31Å; E121-T125 WeakPolarHBondContact O-CG2 3.32Å; E121-T125 PolarHBondContact O-N 3.48Å; E121-T125 PolarHBondContact O-OG1 2.99Å; H122-T125 WeakPolarHBondContact CA-OG1 3.44Å; H122-T125 PolarHBondContact O-OG1 2.93Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 2.73Å; T125-L127 PolarHBondContact O-N 3.23Å; T125-R128 PolarHBondContact O-N 2.99Å; T125-Y129 HydrophobicContact CG2-CD2 4.11Å; T125-Y129 HydrophobicContact CG2-CE2 3.93Å; T125-Y129 WeakPolarHBondContact O-CD2 3.29Å; T125-Y129 PolarHBondContact O-N 2.94Å; T125-E131 CarbonylContact C-O 3.46Å; T125-E131 VanDerWaalsContact C-O 3.23Å; T125-E131 VanDerWaalsContact O-O 3.13Å; T125-V133 HydrophobicContact CG2-CB 4.46Å; T125-V133 PolarHBondContact OG1-N 3.16Å; T125-V133 PolarHBondContact OG1-O 3.25Å
126	L	93	Very high	80.3	Confident	74 Å²	74	32.5 Å²	32.5	39%	0.387	18%	0.18	S	C	.	.	H	α-helix	trans	-58.1	-38.4	171.4	-179.2	66.4	0	0	0	111.5	H122 F123 G130 E131	H122-L126 WeakPolarHBondContact O-CB 3.18Å; H122-L126 PolarHBondContact O-N 2.65Å; F123-L126 WeakPolarHBondContact O-CB 3.35Å; F123-L126 PolarHBondContact O-N 2.79Å; L126-G130 WeakPolarHBondContact O-CA 3.38Å; L126-G130 PolarHBondContact O-N 2.75Å; L126-G130 VanDerWaalsContact O-N 3.11Å; L126-E131 PolarHBondContact N-O 2.99Å
127	L	94.8	Very high	80.4	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-47.9	174.7	-70.4	177.2	0	0	0	112.6	L33 I41 R102 A103 L106 F123 V124 T125	L33-L127 HydrophobicContact CD1-CB 3.84Å; L33-L127 HydrophobicContact CD1-CD1 4.48Å; I41-L127 HydrophobicContact CG2-CD1 3.85Å; R102-L127 HydrophobicContact CB-CD2 3.86Å; A103-L127 HydrophobicContact CB-CD1 4.13Å; A103-L127 HydrophobicContact CB-CD2 4.38Å; L106-L127 HydrophobicContact CD1-CD2 3.89Å; F123-L127 HydrophobicContact CD1-CD1 4.3Å; F123-L127 HydrophobicContact CE1-CD1 3.66Å; F123-L127 HydrophobicContact CE2-CD1 4.28Å; F123-L127 HydrophobicContact CZ-CD1 3.65Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 PolarHBondContact O-N 2.71Å; F123-L127 VanDerWaalsContact O-N 3.13Å; V124-L127 PolarHBondContact O-N 2.7Å; T125-L127 PolarHBondContact O-N 3.23Å
128	R	97.8	Very high	80.5	Confident	16 Å²	16	33.7 Å²	33.7	6%	0.06	19%	0.191	C	C	.	.	H	α-helix	trans	-74.2	-44.3	-174.2	-179.1	172.8	177	95.2	-0.4	113.6	G18 D19 L20 L33 N85 D88 P93 L94 I99 V124 T125	G18-R128 VanDerWaalsContact C-NH1 3.27Å; G18-R128 PolarHBondContact O-NH1 3.3Å; D19-R128 IonicContact OD1-NH1 3.81Å; L20-R128 HydrophobicContact CD2-CB 4.03Å; L33-R128 HydrophobicContact CD1-CB 4.14Å; N85-R128 VanDerWaalsContact CG-CZ 3.46Å; N85-R128 PolarHBondContact ND2-NH2 3.15Å; N85-R128 PolarHBondContact OD1-NH1 3.33Å; D88-R128 IonicContact OD1-CZ 2.65Å; D88-R128 IonicContact OD1-NE 3.38Å; D88-R128 PolarHBondContact OD1-NE 3.04Å; D88-R128 IonicContact OD1-NH2 3.17Å; D88-R128 PolarHBondContact OD1-NH2 2.93Å; D88-R128 IonicContact OD2-CZ 3.66Å; D88-R128 IonicContact OD2-NH2 3.25Å; D88-R128 PolarHBondContact OD2-NH2 3.41Å; P93-R128 HydrophobicContact CB-CG 3.97Å; L94-R128 WeakPolarHBondContact CB-O 3.04Å; L94-R128 WeakPolarHBondContact CG-O 3.43Å; L94-R128 PolarHBondContact N-O 2.92Å; I99-R128 HydrophobicContact CD1-CB 4.43Å; I99-R128 HydrophobicContact CD1-CG 4.04Å; V124-R128 WeakPolarHBondContact O-CB 3.25Å; V124-R128 PolarHBondContact O-N 3.24Å; T125-R128 PolarHBondContact O-N 2.99Å
129	Y	95.4	Very high	80	Confident	14 Å²	14	41.2 Å²	41.2	6%	0.055	22%	0.216	C	C	.	.	H	α-helix	trans	-106.9	-13.3	-171.8	-52.6	-70.1	0	0	0	112.9	L20 Y87 D88 H91 P93 T125 E131	L20-Y129 HydrophobicContact CD1-CE2 4.14Å; Y87-Y129 HydrophobicContact CD2-CE2 4.18Å; Y87-Y129 HydrophobicContact CG-CE2 4.4Å; D88-Y129 VanDerWaalsContact OD1-CE1 3.29Å; D88-Y129 WeakPolarHBondContact OD1-CE1 3.37Å; D88-Y129 PolarHBondContact OD1-OH 2.81Å; H91-Y129 HydrophobicContact CB-CD1 3.55Å; H91-Y129 HydrophobicContact CB-CE1 3.99Å; H91-Y129 HydrophobicContact CB-CG 3.88Å; H91-Y129 WeakPolarHBondContact O-CE1 3.03Å; P93-Y129 HydrophobicContact CB-CD1 4.32Å; P93-Y129 HydrophobicContact CB-CE1 4.17Å; T125-Y129 HydrophobicContact CG2-CD2 4.11Å; T125-Y129 HydrophobicContact CG2-CE2 3.93Å; T125-Y129 WeakPolarHBondContact O-CD2 3.29Å; T125-Y129 PolarHBondContact O-N 2.94Å; Y129-E131 PolarHBondContact O-N 3.41Å
130	G	88.9	Confident	78.9	Confident	33 Å²	33	42.8 Å²	42.8	34%	0.34	23%	0.232	S	C	.	.	S	Bend	trans	81.4	-0.6	-172.9	0	0	0	0	0	114.5	R102 L126	R102-G130 VanDerWaalsContact NH1-CA 3.26Å; L126-G130 WeakPolarHBondContact O-CA 3.38Å; L126-G130 PolarHBondContact O-N 2.75Å; L126-G130 VanDerWaalsContact O-N 3.11Å
131	E	81.9	Confident	76.9	Confident	107 Å²	107	49 Å²	49	50%	0.5	26%	0.262	S	S	.	.	S	Bend	trans	-136.3	136.3	171.5	63.8	-170.5	142.5	0	0	110.1	H91 T125 L126 Y129 V133	H91-E131 IonicContact CD2-OE1 3.24Å; H91-E131 PolarHBondContact CD2-OE1 3.01Å; H91-E131 VanDerWaalsContact CD2-OE1 3.24Å; T125-E131 CarbonylContact C-O 3.46Å; T125-E131 VanDerWaalsContact C-O 3.23Å; T125-E131 VanDerWaalsContact O-O 3.13Å; L126-E131 PolarHBondContact N-O 2.99Å; Y129-E131 PolarHBondContact O-N 3.41Å; E131-V133 HydrophobicContact CG-CG2 4.31Å
132	G	75.3	Confident	74.1	Confident	23 Å²	23	50.9 Å²	50.9	24%	0.237	28%	0.284	C	S	.	.			trans	-82.5	118.9	-178.7	0	0	0	0	0	111.3	H122	H122-G132 VanDerWaalsContact CE1-C 3.41Å; H122-G132 VanDerWaalsContact CE1-CA 3.41Å; H122-G132 WeakPolarHBondContact CE1-CA 3.41Å; H122-G132 PolarHBondContact CE1-O 2.98Å; H122-G132 VanDerWaalsContact ND1-C 3.26Å; H122-G132 PolarHBondContact ND1-O 3.17Å; H122-G132 VanDerWaalsContact ND1-O 3.14Å; H122-G132 WeakPolarHBondContact O-CA 3.34Å
133	V	73	Confident	71.6	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.109	31%	0.306	C	S	.	.			trans	-119	137.8	177.9	-175.6	0	0	0	0	108.8	Y87 T125 E131	Y87-V133 HydrophobicContact CD1-CG1 4.12Å; Y87-V133 HydrophobicContact CE1-CG1 3.68Å; T125-V133 HydrophobicContact CG2-CB 4.46Å; T125-V133 PolarHBondContact OG1-N 3.16Å; T125-V133 PolarHBondContact OG1-O 3.25Å; E131-V133 HydrophobicContact CG-CG2 4.31Å
134	S	70	Confident	69.3	Low	7 Å²	7	58.5 Å²	58.5	5%	0.049	34%	0.337	C	S	.	.			trans	-143.1	153.5	171.1	70.1	0	0	0	0	111.5	S118 E121 Q136 A137 S138	S118-S134 VanDerWaalsContact O-CB 3.32Å; S118-S134 WeakPolarHBondContact O-CB 3.41Å; E121-S134 WeakPolarHBondContact OE2-CA 3.45Å; E121-S134 VanDerWaalsContact OE2-CB 3.29Å; E121-S134 WeakPolarHBondContact OE2-CB 3.5Å; S134-Q136 PolarHBondContact O-N 2.85Å; S134-A137 PolarHBondContact O-N 2.89Å; S134-A137 VanDerWaalsContact O-N 3.15Å; S134-A137 WeakPolarHBondContact OG-CB 3.21Å; S134-A137 PolarHBondContact OG-N 3.05Å; S134-S138 PolarHBondContact O-N 3.43Å; S134-S138 PolarHBondContact O-OG 3.3Å
135	E	68	Low	66.4	Low	95 Å²	95	62.9 Å²	62.9	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-34	179.1	-83.5	-172.1	-161.2	0	0	112.7	K86 E121 R139	K86-E135 IonicContact NZ-OE1 2.79Å; K86-E135 PolarHBondContact NZ-OE1 3.48Å; E121-E135 PolarHBondContact OE2-N 3.31Å; E135-R139 VanDerWaalsContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 2.87Å
136	Q	60.1	Low	63.8	Low	102 Å²	102	69.9 Å²	69.9	48%	0.477	40%	0.404	S	S	.	.	H	α-helix	trans	-68.1	-43.1	176.5	-172.9	177.8	5	0	0	111.8	S118 S134 R139 A140	S118-Q136 VanDerWaalsContact CB-OE1 3.28Å; S118-Q136 WeakPolarHBondContact OG-CB 3.49Å; S118-Q136 PolarHBondContact OG-OE1 3.05Å; S134-Q136 PolarHBondContact O-N 2.85Å; Q136-R139 PolarHBondContact O-N 2.79Å; Q136-A140 WeakPolarHBondContact O-CB 3.5Å; Q136-A140 PolarHBondContact O-N 2.94Å
137	A	55.7	Low	61.2	Low	42 Å²	42	73.4 Å²	73.4	35%	0.347	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-42.8	176	0	0	0	0	0	111.1	S134 A140 M141	S134-A137 PolarHBondContact O-N 2.89Å; S134-A137 VanDerWaalsContact O-N 3.15Å; S134-A137 WeakPolarHBondContact OG-CB 3.21Å; S134-A137 PolarHBondContact OG-N 3.05Å; A137-A140 PolarHBondContact O-N 3.19Å; A137-M141 WeakPolarHBondContact O-CG 3.42Å; A137-M141 PolarHBondContact O-N 2.89Å
138	S	57.6	Low	58.5	Low	50 Å²	50	78.5 Å²	78.5	35%	0.35	46%	0.46	S	S	.	.	H	α-helix	trans	-65.1	-40.1	176.4	-61	0	0	0	0	112.6	S134 M141 G142	S134-S138 PolarHBondContact O-N 3.43Å; S134-S138 PolarHBondContact O-OG 3.3Å; S138-M141 PolarHBondContact O-N 3.36Å; S138-G142 PolarHBondContact O-N 2.87Å
139	R	55.2	Low	56	Low	184 Å²	184	82 Å²	82	69%	0.694	49%	0.493	S	S	*	.	H	α-helix	trans	-67	-37.5	174.5	-77.9	175.6	169.8	-169.2	0.1	112.6	E135 Q136 G142 A143	E135-R139 VanDerWaalsContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 2.87Å; Q136-R139 PolarHBondContact O-N 2.79Å; R139-G142 PolarHBondContact O-N 3.44Å; R139-A143 VanDerWaalsContact O-CB 3.29Å; R139-A143 WeakPolarHBondContact O-CB 3.3Å; R139-A143 PolarHBondContact O-N 3.37Å
140	A	48.9	Very low	53.3	Low	55 Å²	55	85.6 Å²	85.6	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-40.6	175.2	0	0	0	0	0	111.8	Q136 A137 I144	Q136-A140 WeakPolarHBondContact O-CB 3.5Å; Q136-A140 PolarHBondContact O-N 2.94Å; A137-A140 PolarHBondContact O-N 3.19Å; A140-I144 WeakPolarHBondContact O-CG1 3.29Å; A140-I144 PolarHBondContact O-N 3.25Å
141	M	42.7	Very low	51.3	Low	131 Å²	131	89 Å²	89	65%	0.645	55%	0.55	S	S	*	.	H	α-helix	trans	-68.2	-39.8	172.8	-68.2	-168.6	-62.8	0	0	112.4	A137 S138 A143 I144	A137-M141 WeakPolarHBondContact O-CG 3.42Å; A137-M141 PolarHBondContact O-N 2.89Å; S138-M141 PolarHBondContact O-N 3.36Å; M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 3.38Å; M141-I144 PolarHBondContact O-N 3.45Å
142	G	31.4	Very low	49.4	Very low	48 Å²	48	88.7 Å²	88.7	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-65.1	-32.5	175.3	0	0	0	0	0	113.9	S138 R139 I144 S145	S138-G142 PolarHBondContact O-N 2.87Å; R139-G142 PolarHBondContact O-N 3.44Å; G142-I144 VanDerWaalsContact C-N 3.3Å; G142-I144 PolarHBondContact O-N 3.29Å; G142-S145 PolarHBondContact O-N 3.46Å
143	A	36.3	Very low	48	Very low	83 Å²	83	91.7 Å²	91.7	69%	0.686	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-12.4	176.9	0	0	0	0	0	114.1	R139 M141 S145	R139-A143 VanDerWaalsContact O-CB 3.29Å; R139-A143 WeakPolarHBondContact O-CB 3.3Å; R139-A143 PolarHBondContact O-N 3.37Å; M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 3.38Å; A143-S145 VanDerWaalsContact C-N 3.32Å
144	I	40.2	Very low	46.7	Very low	143 Å²	143	101 Å²	101	73%	0.733	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-7.1	174.5	-66.2	168.1	0	0	0	111.5	A140 M141 G142 L146	A140-I144 WeakPolarHBondContact O-CG1 3.29Å; A140-I144 PolarHBondContact O-N 3.25Å; M141-I144 PolarHBondContact O-N 3.45Å; G142-I144 VanDerWaalsContact C-N 3.3Å; G142-I144 PolarHBondContact O-N 3.29Å; I144-L146 PolarHBondContact O-N 3.5Å
145	S	34.6	Very low	45.4	Very low	92 Å²	92	105.6 Å²	105.6	64%	0.643	65%	0.654	S	S	*	*	S	Bend	trans	-80	106.6	172.7	-65.7	0	0	0	0	111.5	G142 A143	G142-S145 PolarHBondContact O-N 3.46Å; A143-S145 VanDerWaalsContact C-N 3.32Å
146	L	38.5	Very low	44.3	Very low	146 Å²	146	108.3 Å²	108.3	76%	0.764	68%	0.676	S	S	*	*			trans	77.9	76.8	167.6	-61.2	164.2	0	0	0	117.9	I144 T148	I144-L146 PolarHBondContact O-N 3.5Å; L146-T148 WeakPolarHBondContact CD2-OG1 3.21Å
147	V	39.1	Very low	43.3	Very low	148 Å²	148	110.9 Å²	110.9	90%	0.897	69%	0.693	S	S	*	*			trans	-98.1	81.9	132.9	-177	0	0	0	0	107.2	A149	V147-A149 PolarHBondContact O-N 3.28Å
148	T	38.6	Very low	42.3	Very low	111 Å²	111	112.3 Å²	112.3	68%	0.681	71%	0.711	S	S	*	*			trans	-65.9	118.1	163.2	-53.6	0	0	0	0	107	L146 A150	L146-T148 WeakPolarHBondContact CD2-OG1 3.21Å; T148-A150 PolarHBondContact O-N 3.05Å
149	A	44.4	Very low	41.4	Very low	91 Å²	91	118.1 Å²	118.1	75%	0.752	74%	0.737	S	S	*	*			trans	-51	110.7	-176.4	0	0	0	0	0	112.4	V147	V147-A149 PolarHBondContact O-N 3.28Å
150	A	37.8	Very low	40.8	Very low	89 Å²	89	116.3 Å²	116.3	74%	0.736	74%	0.74	S	S	*	*			trans	-98.4	91.8	152.1	0	0	0	0	0	106.9	T148 S152	T148-A150 PolarHBondContact O-N 3.05Å; A150-S152 PolarHBondContact O-N 3.09Å; A150-S152 VanDerWaalsContact O-N 3.09Å
151	A	48.3	Very low	40.2	Very low	103 Å²	103	119.1 Å²	119.1	85%	0.851	75%	0.747	S	S	*	*			trans	-67.3	100.8	168.3	0	0	0	0	0	108.9
152	S	40.8	Very low	39.8	Very low	101 Å²	101	120 Å²	120	71%	0.706	76%	0.761	S	S	*	*			trans	-156.7	94.7	164.6	30.9	0	0	0	0	111.8	A150	A150-S152 PolarHBondContact O-N 3.09Å; A150-S152 VanDerWaalsContact O-N 3.09Å
153	A	47.6	Very low	40.2	Very low	86 Å²	86	128 Å²	128	71%	0.711	78%	0.776	S	S	*	*			trans	14.2	118.9	150.8	0	0	0	0	0	119.2
154	F	45.7	Very low	40.5	Very low	215 Å²	215	128.7 Å²	128.7	94%	0.943	78%	0.775	S	S	*	*			trans	-151.7	116.8	131.5	-90.2	-71.4	0	0	0	110.8
155	S	42.6	Very low	40.6	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	78%	0.781	S	S	*	*			trans	-67.2	143.4	172.1	-50.3	0	0	0	0	111.9
156	V	43.6	Very low	40.8	Very low	151 Å²	151	134.9 Å²	134.9	92%	0.915	79%	0.786	S	S	*	*			trans	-132.6	126.2	143.3	179.4	0	0	0	0	109.7
157	L	39.9	Very low	40.9	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	79%	0.792	S	S	*	*			trans	-65.6	155.5	-178	-89.7	71.6	0	0	0	114.5
158	G	33.8	Very low	41.4	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	78%	0.778	S	S	*	*			trans	93.9	125.7	141.2	0	0	0	0	0	114.2
159	L	39	Very low	41.5	Very low	172 Å²	172	144.5 Å²	144.5	90%	0.901	80%	0.803	S	S	*	*				-159.5	112.6	50.2	-119.7	148.4	0	0	0	112.3
160	I	43.8	Very low	41.4	Very low	147 Å²	147	147.2 Å²	147.2	75%	0.754	81%	0.806	S	S	*	*			trans	3.1	116.3	141.5	-65.1	171.2	0	0	0	118.1
161	N	36.3	Very low	41.6	Very low	114 Å²	114	150.2 Å²	150.2	61%	0.61	81%	0.81	S	S	*	*				71.3	124.5	120.7	-154.7	31	0	0	0	120.7
162	T	33.8	Very low	41.2	Very low	150 Å²	150	152.8 Å²	152.8	92%	0.92	81%	0.807	S	S	*	*				-136.3	127.4	128.9	10.4	0	0	0	0	110.8
163	R	40.1	Very low	41.2	Very low	216 Å²	216	155.9 Å²	155.9	82%	0.815	81%	0.813	S	S	*	*			trans	-70.6	155.8	-175.9	-94.2	172.7	161	168.2	-5.9	113.7
164	S	42.5	Very low	40.8	Very low	96 Å²	96	160.3 Å²	160.3	67%	0.671	82%	0.82	S	S	*	*			trans	89.7	110	132.6	168.3	0	0	0	0	119.8
165	R	41.8	Very low	40.5	Very low	227 Å²	227	156.6 Å²	156.6	86%	0.857	81%	0.811	S	S	*	*				-173.3	108	110.3	-109.5	151.6	54.1	174.3	-6.3	109.4
166	N	39	Very low	40.3	Very low	139 Å²	139	160.4 Å²	160.4	74%	0.743	82%	0.818	S	S	*	*				71.2	109.9	95.6	-99.9	1.8	0	0	0	114.4
167	R	39.7	Very low	40.1	Very low	235 Å²	235	161.2 Å²	161.2	89%	0.887	81%	0.811	S	S	*	*				163.2	162.3	108.9	-93.2	-169.6	-179.2	176.4	1.2	113.8
168	P	50.3	Low	40.1	Very low	94 Å²	94	161.5 Å²	161.5	61%	0.61	81%	0.81	S	S	*	*			trans	-107	168.9	-141.9	42.6	-35.9	0	0	0	113.6
169	F	41.4	Very low	40.7	Very low	277 Å²	277	169.7 Å²	169.7	100%	1.215	82%	0.817	S	S	*	*				-160.9	0	111	-88.1	-69.5	0	0	0	108.5

Retrieved 169 of 169 residues in 48.2 ms (Link to these results)

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