A0A3B3VNU1_9TELE Loading...

Inosine triphosphate pyrophosphatase

Pyrophosphatase that hydrolyzes the non-canonical purine (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triphosphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions. Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triphosphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.

AlphaFold DB , UniProt , Accession A0A3B3VNU1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene ITPA, Length 195 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.4	Very low	70.4	Confident	237 Å²	237	94.5 Å²	94.5	100%	1.167	55%	0.547	S	S	*	.				0	103.9	0	-70.2	-77.4	-99.7	0	0	107	V3	M1-V3 PolarHBondContact O-N 2.69Å
2	A	37	Very low	72.5	Confident	106 Å²	106	88.5 Å²	88.5	88%	0.876	51%	0.513	S	S	*	.			trans	-66.4	117.8	179	0	0	0	0	0	108.3	S4	A2-S4 PolarHBondContact O-N 3.47Å
3	V	41.7	Very low	73.8	Confident	138 Å²	138	83.2 Å²	83.2	84%	0.836	48%	0.482	S	S	*	.			trans	-61.2	112.2	168.5	-179.9	0	0	0	0	105.8	M1 A5	M1-V3 PolarHBondContact O-N 2.69Å; V3-A5 PolarHBondContact O-N 2.82Å
4	S	52.3	Low	74.4	Confident	106 Å²	106	82 Å²	82	74%	0.741	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-51.7	124.7	173.2	-176.1	0	0	0	0	108.2	A2 R6	A2-S4 PolarHBondContact O-N 3.47Å; S4-R6 PolarHBondContact O-N 2.99Å; S4-R6 VanDerWaalsContact O-N 3.16Å
5	A	63.1	Low	74.9	Confident	89 Å²	89	81.1 Å²	81.1	74%	0.736	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-59.8	122.1	-177.1	0	0	0	0	0	109	V3 K7	V3-A5 PolarHBondContact O-N 2.82Å; A5-K7 PolarHBondContact O-N 2.81Å
6	R	73.8	Confident	75.4	Confident	124 Å²	124	80.6 Å²	80.6	47%	0.468	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-53.7	129.7	176.5	-71.5	-173.7	-177	177.1	0.2	108.9	S4 D28 K33	S4-R6 PolarHBondContact O-N 2.99Å; S4-R6 VanDerWaalsContact O-N 3.16Å; R6-D28 PolarHBondContact NH2-O 2.95Å; R6-K33 HydrophobicContact CB-CB 4.36Å
7	K	86.9	Confident	75.7	Confident	155 Å²	155	82.6 Å²	82.6	67%	0.674	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-54.4	143.4	172	-74.1	-174.5	178.9	-179.5	0	108.7	A5 Y32 K33	A5-K7 PolarHBondContact O-N 2.81Å; K7-Y32 HydrophobicContact CB-CD1 3.73Å; K7-Y32 HydrophobicContact CB-CE1 3.85Å; K7-Y32 HydrophobicContact CD-CE1 4.5Å; K7-Y32 CarbonylContact O-C 3.59Å; K7-Y32 WeakPolarHBondContact O-CA 3.45Å; K7-Y32 WeakPolarHBondContact O-CB 3.41Å; K7-Y32 WeakPolarHBondContact O-CD1 3.36Å; K7-K33 PolarHBondContact O-N 3.24Å
8	T	93.4	Very high	76.1	Confident	66 Å²	66	80.9 Å²	80.9	41%	0.405	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.2	-179.3	-63.9	0	0	0	0	109.8	K33 V35	T8-K33 WeakPolarHBondContact CA-O 3.23Å; T8-V35 HydrophobicContact CG2-CB 4.17Å; T8-V35 HydrophobicContact CG2-CG1 3.74Å; T8-V35 HydrophobicContact CG2-CG2 3.35Å
9	V	95.6	Very high	76.8	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.1	167.2	64.4	0	0	0	0	109.1	F30 Y32 K33 V34 V35 P66 M68 F119	V9-F30 HydrophobicContact CG1-CE1 3.79Å; V9-F30 HydrophobicContact CG1-CZ 4.22Å; V9-Y32 HydrophobicContact CB-CD1 4.2Å; V9-Y32 HydrophobicContact CB-CG 4.03Å; V9-Y32 VanDerWaalsContact CG1-CB 3.47Å; V9-Y32 HydrophobicContact CG1-CG 4.15Å; V9-K33 PolarHBondContact N-O 3.03Å; V9-V34 HydrophobicContact CG1-CB 4.38Å; V9-V34 HydrophobicContact CG1-CG2 3.95Å; V9-V35 PolarHBondContact O-N 3.48Å; V9-P66 WeakPolarHBondContact CA-O 3.5Å; V9-P66 HydrophobicContact CB-CB 4.25Å; V9-P66 HydrophobicContact CG2-CB 4.2Å; V9-M68 HydrophobicContact CB-CE 4.41Å; V9-M68 HydrophobicContact CG1-CE 3.43Å; V9-M68 VanDerWaalsContact CG1-CE 3.43Å; V9-M68 HydrophobicContact CG2-CB 4.38Å; V9-M68 HydrophobicContact CG2-CE 4.05Å; V9-M68 HydrophobicContact CG2-CG 4.37Å; V9-F119 HydrophobicContact CG2-CD2 4.09Å; V9-F119 HydrophobicContact CG2-CE2 3.81Å
10	V	96.6	Very high	77.3	Confident	18 Å²	18	81.5 Å²	81.5	11%	0.109	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.5	175.8	180	0	0	0	0	109.3	V35 K37 I63 P66 V67 M68	V10-V35 CarbonylContact C-O 3.6Å; V10-V35 WeakPolarHBondContact CA-O 3.39Å; V10-V35 HydrophobicContact CG2-CG2 4.04Å; V10-K37 HydrophobicContact CG1-CB 3.51Å; V10-I63 HydrophobicContact CB-CD1 4.5Å; V10-I63 HydrophobicContact CB-CG1 4.42Å; V10-I63 HydrophobicContact CB-CG2 4.33Å; V10-I63 HydrophobicContact CG1-CD1 4.16Å; V10-I63 HydrophobicContact CG1-CG1 4.35Å; V10-I63 HydrophobicContact CG2-CD1 4.26Å; V10-I63 HydrophobicContact CG2-CG2 3.86Å; V10-P66 PolarHBondContact N-O 3.14Å; V10-V67 HydrophobicContact CB-CG2 4.45Å; V10-V67 CarbonylContact O-C 3.52Å; V10-V67 WeakPolarHBondContact O-CA 3.48Å; V10-V67 WeakPolarHBondContact O-CG2 3.39Å; V10-M68 PolarHBondContact O-N 2.93Å
11	F	96.8	Very high	77.6	Confident	1 Å²	1	79 Å²	79	0%	0.004	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.9	164.5	178.7	-153.7	0	0	0	109.5	T13 K18 L19 V22 V34 V35 S36 K37 M68 E70 F117	F11-T13 HydrophobicContact CD1-CG2 3.34Å; F11-T13 HydrophobicContact CD2-CG2 4.35Å; F11-T13 HydrophobicContact CE1-CG2 3.41Å; F11-T13 VanDerWaalsContact CE1-CG2 3.41Å; F11-T13 HydrophobicContact CE2-CG2 4.4Å; F11-T13 HydrophobicContact CG-CG2 3.85Å; F11-T13 HydrophobicContact CZ-CG2 3.97Å; F11-T13 PolarHBondContact O-N 3.41Å; F11-K18 HydrophobicContact CE1-CB 4.24Å; F11-L19 HydrophobicContact CD1-CD1 4.15Å; F11-V22 HydrophobicContact CD1-CB 4.47Å; F11-V22 HydrophobicContact CD1-CG1 4.5Å; F11-V22 HydrophobicContact CD1-CG2 4.27Å; F11-V22 HydrophobicContact CE1-CB 4.29Å; F11-V22 HydrophobicContact CE1-CG2 3.67Å; F11-V22 HydrophobicContact CZ-CG2 4.1Å; F11-V34 HydrophobicContact CB-CG1 3.82Å; F11-V35 PolarHBondContact N-O 3.46Å; F11-S36 WeakPolarHBondContact O-CA 3.5Å; F11-K37 PolarHBondContact O-N 3Å; F11-K37 VanDerWaalsContact O-N 3.1Å; F11-M68 WeakPolarHBondContact CA-O 3.49Å; F11-M68 HydrophobicContact CB-CE 4.24Å; F11-M68 HydrophobicContact CB-CG 3.79Å; F11-M68 HydrophobicContact CB-SD 4.08Å; F11-M68 HydrophobicContact CD2-CG 3.8Å; F11-M68 HydrophobicContact CD2-SD 4.19Å; F11-M68 HydrophobicContact CG-CG 4.1Å; F11-M68 HydrophobicContact CG-SD 4.19Å; F11-E70 HydrophobicContact CE2-CB 3.81Å; F11-E70 HydrophobicContact CZ-CB 4.14Å; F11-F117 HydrophobicContact CE2-CE1 4.12Å; F11-F117 HydrophobicContact CZ-CE1 4.25Å
12	V	95.2	Very high	80.1	Confident	22 Å²	22	67.7 Å²	67.7	13%	0.133	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	91.6	178.5	-170.3	0	0	0	0	109.8	K37 I39 L41 A59 V67 M68 V69	V12-K37 WeakPolarHBondContact CA-O 3.47Å; V12-I39 HydrophobicContact CG1-CB 3.93Å; V12-I39 HydrophobicContact CG1-CD1 4.4Å; V12-I39 HydrophobicContact CG1-CG1 4.27Å; V12-I39 HydrophobicContact CG2-CD1 3.98Å; V12-L41 HydrophobicContact CB-CD1 4.3Å; V12-L41 HydrophobicContact CG1-CD1 3.76Å; V12-L41 HydrophobicContact CG1-CG 4.38Å; V12-L41 HydrophobicContact CG2-CD1 4.42Å; V12-A59 HydrophobicContact CG2-CB 3.99Å; V12-V67 HydrophobicContact CG2-CG2 3.59Å; V12-M68 PolarHBondContact N-O 3.33Å; V12-V69 HydrophobicContact CB-CG1 4.01Å; V12-V69 HydrophobicContact CG2-CG1 3.91Å
13	T	89.5	Confident	82.7	Confident	19 Å²	19	66.1 Å²	66.1	12%	0.117	38%	0.382	C	S	.	.			trans	-149.2	146.5	176.9	-175.1	0	0	0	0	110	F11 N15 K37	F11-T13 HydrophobicContact CD1-CG2 3.34Å; F11-T13 HydrophobicContact CD2-CG2 4.35Å; F11-T13 HydrophobicContact CE1-CG2 3.41Å; F11-T13 VanDerWaalsContact CE1-CG2 3.41Å; F11-T13 HydrophobicContact CE2-CG2 4.4Å; F11-T13 HydrophobicContact CG-CG2 3.85Å; F11-T13 HydrophobicContact CZ-CG2 3.97Å; F11-T13 PolarHBondContact O-N 3.41Å; T13-N15 PolarHBondContact OG1-N 3.29Å; T13-N15 VanDerWaalsContact OG1-N 3.08Å; T13-K37 PolarHBondContact N-O 3.37Å
14	G	82.8	Confident	84.9	Confident	67 Å²	67	67 Å²	67	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	-97.5	0	166.7	0	0	0	0	0	113.5
15	N	80.7	Confident	86.5	Confident	68 Å²	68	63.4 Å²	63.4	36%	0.364	35%	0.349	S	S	.	.			trans	-104.8	109.4	-173.5	-176.6	-27.8	0	0	0	110.7	T13 K17 K18 L19	T13-N15 PolarHBondContact OG1-N 3.29Å; T13-N15 VanDerWaalsContact OG1-N 3.08Å; N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 3.27Å; N15-K17 WeakPolarHBondContact OD1-CA 3.49Å; N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.46Å; N15-K18 HydrophobicContact CB-CB 4.08Å; N15-K18 HydrophobicContact CB-CD 4.04Å; N15-K18 HydrophobicContact CB-CG 3.97Å; N15-K18 WeakPolarHBondContact O-CB 3.47Å; N15-K18 PolarHBondContact O-N 3.49Å; N15-K18 PolarHBondContact OD1-N 3.32Å; N15-K18 VanDerWaalsContact OD1-N 3.15Å; N15-L19 PolarHBondContact O-N 3.07Å
16	A	83.1	Confident	87.7	Confident	73 Å²	73	59.4 Å²	59.4	60%	0.603	32%	0.315	S	S	*	.	H	α-helix	trans	-62.2	-35.7	179.8	0	0	0	0	0	113.3	K18 L19 E20	A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.29Å; A16-L19 WeakPolarHBondContact O-CB 3.35Å; A16-L19 PolarHBondContact O-N 2.96Å; A16-E20 PolarHBondContact O-N 3.49Å
17	K	80.8	Confident	88.2	Confident	116 Å²	116	55.1 Å²	55.1	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-38	176.6	-65	-176	177.8	-178.7	0	111.5	N15 L19 E20 E21	N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 3.27Å; N15-K17 WeakPolarHBondContact OD1-CA 3.49Å; N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.46Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-E20 PolarHBondContact O-N 2.86Å; K17-E21 WeakPolarHBondContact O-CG 3.43Å; K17-E21 PolarHBondContact O-N 3.28Å
18	K	83.3	Confident	88	Confident	51 Å²	51	54.2 Å²	54.2	22%	0.222	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-41.2	173.4	-76.7	-172.4	166.8	-154.2	0	111.6	F11 N15 A16 E21 V22 E70	F11-K18 HydrophobicContact CE1-CB 4.24Å; N15-K18 HydrophobicContact CB-CB 4.08Å; N15-K18 HydrophobicContact CB-CD 4.04Å; N15-K18 HydrophobicContact CB-CG 3.97Å; N15-K18 WeakPolarHBondContact O-CB 3.47Å; N15-K18 PolarHBondContact O-N 3.49Å; N15-K18 PolarHBondContact OD1-N 3.32Å; N15-K18 VanDerWaalsContact OD1-N 3.15Å; A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.29Å; K18-E21 PolarHBondContact O-N 3.34Å; K18-V22 WeakPolarHBondContact O-CB 3.32Å; K18-V22 VanDerWaalsContact O-CG2 3.28Å; K18-V22 WeakPolarHBondContact O-CG2 3.49Å; K18-V22 PolarHBondContact O-N 3.33Å; K18-E70 WeakPolarHBondContact CD-OE2 3.17Å; K18-E70 WeakPolarHBondContact CE-OE2 3.49Å; K18-E70 IonicContact NZ-OE1 3.8Å; K18-E70 IonicContact NZ-OE2 2.63Å; K18-E70 PolarHBondContact NZ-OE2 3.07Å
19	L	88.9	Confident	87.4	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-46.8	176.5	176.7	67.7	0	0	0	111.1	F11 N15 A16 K17 E21 V22 V23 V34	F11-L19 HydrophobicContact CD1-CD1 4.15Å; N15-L19 PolarHBondContact O-N 3.07Å; A16-L19 WeakPolarHBondContact O-CB 3.35Å; A16-L19 PolarHBondContact O-N 2.96Å; K17-L19 VanDerWaalsContact C-N 3.34Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 2.93Å; L19-V22 PolarHBondContact O-N 3.38Å; L19-V23 HydrophobicContact CD1-CG2 3.94Å; L19-V23 HydrophobicContact CG-CG2 4.26Å; L19-V23 WeakPolarHBondContact O-CB 3.42Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.98Å; L19-V34 HydrophobicContact CD1-CB 4.48Å; L19-V34 HydrophobicContact CD1-CG1 3.63Å
20	E	86.4	Confident	87	Confident	138 Å²	138	56.8 Å²	56.8	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-55.5	-47.6	176.4	-107.5	-178.8	166.7	0	0	111.9	A16 K17 V23 H24	A16-E20 PolarHBondContact O-N 3.49Å; K17-E20 PolarHBondContact O-N 2.86Å; E20-V23 PolarHBondContact O-N 2.88Å; E20-H24 VanDerWaalsContact O-CB 3.28Å; E20-H24 WeakPolarHBondContact O-CB 3.38Å; E20-H24 PolarHBondContact O-N 2.94Å
21	E	84.3	Confident	86.7	Confident	28 Å²	28	57.7 Å²	57.7	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-46.4	177	-73.2	172.5	-172.8	0	0	112	K17 K18 L19 H24 I25 K167 R176	K17-E21 WeakPolarHBondContact O-CG 3.43Å; K17-E21 PolarHBondContact O-N 3.28Å; K18-E21 PolarHBondContact O-N 3.34Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 2.93Å; E21-H24 PolarHBondContact O-N 3.47Å; E21-I25 WeakPolarHBondContact O-CD1 3.45Å; E21-I25 VanDerWaalsContact O-CG1 3.26Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 2.89Å; E21-K167 IonicContact OE1-NZ 3.85Å; E21-R176 IonicContact OE2-CZ 2.63Å; E21-R176 IonicContact OE2-NH1 3.34Å; E21-R176 PolarHBondContact OE2-NH1 2.95Å
22	V	90.8	Very high	86.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-47.2	179.3	167.9	0	0	0	0	111.4	F11 K18 L19 H24 I25 L26 M68 F117 L180	F11-V22 HydrophobicContact CD1-CB 4.47Å; F11-V22 HydrophobicContact CD1-CG1 4.5Å; F11-V22 HydrophobicContact CD1-CG2 4.27Å; F11-V22 HydrophobicContact CE1-CB 4.29Å; F11-V22 HydrophobicContact CE1-CG2 3.67Å; F11-V22 HydrophobicContact CZ-CG2 4.1Å; K18-V22 WeakPolarHBondContact O-CB 3.32Å; K18-V22 VanDerWaalsContact O-CG2 3.28Å; K18-V22 WeakPolarHBondContact O-CG2 3.49Å; K18-V22 PolarHBondContact O-N 3.33Å; L19-V22 PolarHBondContact O-N 3.38Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.33Å; V22-I25 PolarHBondContact O-N 2.98Å; V22-L26 HydrophobicContact CG1-CD1 3.62Å; V22-L26 HydrophobicContact CG1-CG 4.29Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.92Å; V22-M68 HydrophobicContact CG1-SD 4.32Å; V22-F117 HydrophobicContact CG2-CE1 4.01Å; V22-F117 HydrophobicContact CG2-CZ 3.8Å; V22-L180 HydrophobicContact CB-CD1 4.47Å; V22-L180 HydrophobicContact CG1-CD2 4.09Å; V22-L180 HydrophobicContact CG2-CD1 3.99Å; V22-L180 HydrophobicContact CG2-CD2 4.24Å
23	V	90.7	Very high	86.2	Confident	73 Å²	73	64.6 Å²	64.6	44%	0.442	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-42.5	179.4	171.2	0	0	0	0	110.8	L19 E20 G27 V34	L19-V23 HydrophobicContact CD1-CG2 3.94Å; L19-V23 HydrophobicContact CG-CG2 4.26Å; L19-V23 WeakPolarHBondContact O-CB 3.42Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.98Å; E20-V23 PolarHBondContact O-N 2.88Å; V23-G27 PolarHBondContact O-N 3.47Å; V23-G27 VanDerWaalsContact O-N 3.17Å; V23-V34 HydrophobicContact CG2-CB 4.03Å; V23-V34 HydrophobicContact CG2-CG1 4.42Å
24	H	87.3	Confident	86.4	Confident	158 Å²	158	64.8 Å²	64.8	73%	0.731	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-45.9	178.8	-176.3	74.9	0	0	0	112.3	E20 E21 V22	E20-H24 VanDerWaalsContact O-CB 3.28Å; E20-H24 WeakPolarHBondContact O-CB 3.38Å; E20-H24 PolarHBondContact O-N 2.94Å; E21-H24 PolarHBondContact O-N 3.47Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 PolarHBondContact O-N 3.33Å
25	I	86.5	Confident	87	Confident	30 Å²	30	64 Å²	64	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-73.8	-39.8	-176.4	-63.3	164.1	0	0	0	111.9	E21 V22 G27 Y177 L180	E21-I25 WeakPolarHBondContact O-CD1 3.45Å; E21-I25 VanDerWaalsContact O-CG1 3.26Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 2.89Å; V22-I25 PolarHBondContact O-N 2.98Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.49Å; I25-Y177 HydrophobicContact CD1-CD2 4.12Å; I25-Y177 HydrophobicContact CG1-CD2 4.09Å; I25-Y177 HydrophobicContact CG2-CD2 3.75Å; I25-Y177 HydrophobicContact CG2-CE2 4.02Å; I25-L180 HydrophobicContact CB-CB 4.24Å; I25-L180 HydrophobicContact CB-CD1 3.97Å; I25-L180 HydrophobicContact CD1-CD1 3.66Å; I25-L180 HydrophobicContact CG1-CD1 4.41Å; I25-L180 HydrophobicContact CG2-CB 3.52Å; I25-L180 HydrophobicContact CG2-CD1 4.1Å; I25-L180 HydrophobicContact CG2-CG 4.47Å
26	L	88.5	Confident	87.6	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-35.5	178.5	-72.9	176.8	0	0	0	112	V22 F30 V34 M68 L180 M183 S184	V22-L26 HydrophobicContact CG1-CD1 3.62Å; V22-L26 HydrophobicContact CG1-CG 4.29Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.92Å; L26-F30 HydrophobicContact CB-CB 3.9Å; L26-F30 HydrophobicContact CB-CD1 4.41Å; L26-F30 HydrophobicContact CB-CG 4.1Å; L26-F30 HydrophobicContact CD1-CD1 3.86Å; L26-F30 HydrophobicContact CD1-CD2 4.28Å; L26-F30 HydrophobicContact CD1-CE1 3.87Å; L26-F30 HydrophobicContact CD1-CE2 4.31Å; L26-F30 HydrophobicContact CD1-CG 4.06Å; L26-F30 HydrophobicContact CD1-CZ 4.12Å; L26-F30 HydrophobicContact CD2-CD2 4.01Å; L26-F30 HydrophobicContact CD2-CE2 4.35Å; L26-F30 HydrophobicContact CD2-CG 4.32Å; L26-F30 HydrophobicContact CG-CG 4.39Å; L26-V34 HydrophobicContact CD1-CG2 4.05Å; L26-M68 HydrophobicContact CD1-CE 4.38Å; L26-L180 HydrophobicContact CD1-CD2 4.37Å; L26-L180 HydrophobicContact CD2-CB 4.49Å; L26-L180 HydrophobicContact CD2-CD2 3.98Å; L26-L180 HydrophobicContact CG-CD2 4.04Å; L26-M183 HydrophobicContact CD2-CB 4.35Å; L26-M183 HydrophobicContact CD2-CG 4.19Å; L26-M183 HydrophobicContact CD2-SD 4.01Å; L26-S184 PolarHBondContact O-OG 3.43Å
27	G	84.8	Confident	88.1	Confident	34 Å²	34	65.3 Å²	65.3	35%	0.351	33%	0.332	S	S	.	.			trans	59.6	-165.6	175.5	0	0	0	0	0	114.1	V23 I25 Q29 F30	V23-G27 PolarHBondContact O-N 3.47Å; V23-G27 VanDerWaalsContact O-N 3.17Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.49Å; G27-Q29 VanDerWaalsContact C-N 3.28Å; G27-Q29 PolarHBondContact O-N 3.16Å; G27-F30 PolarHBondContact O-N 3.13Å
28	D	82.5	Confident	88.7	Confident	137 Å²	137	68.2 Å²	68.2	73%	0.733	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.6	-171.6	-72.3	-36.5	0	0	0	115	R6 F30	R6-D28 PolarHBondContact NH2-O 2.95Å; D28-F30 VanDerWaalsContact C-N 3.28Å
29	Q	79.6	Confident	89.1	Confident	116 Å²	116	67.2 Å²	67.2	54%	0.542	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.2	179.7	-66.6	-176	72.6	0	0	112.5	G27	G27-Q29 VanDerWaalsContact C-N 3.28Å; G27-Q29 PolarHBondContact O-N 3.16Å
30	F	88.5	Confident	89.2	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.013	37%	0.37	C	S	.	.	S	Bend	trans	-72.9	125.1	177.5	-171.7	-113.3	0	0	0	110.7	V9 L26 G27 D28 Y32 V34 M68 M183 F187	V9-F30 HydrophobicContact CG1-CE1 3.79Å; V9-F30 HydrophobicContact CG1-CZ 4.22Å; L26-F30 HydrophobicContact CB-CB 3.9Å; L26-F30 HydrophobicContact CB-CD1 4.41Å; L26-F30 HydrophobicContact CB-CG 4.1Å; L26-F30 HydrophobicContact CD1-CD1 3.86Å; L26-F30 HydrophobicContact CD1-CD2 4.28Å; L26-F30 HydrophobicContact CD1-CE1 3.87Å; L26-F30 HydrophobicContact CD1-CE2 4.31Å; L26-F30 HydrophobicContact CD1-CG 4.06Å; L26-F30 HydrophobicContact CD1-CZ 4.12Å; L26-F30 HydrophobicContact CD2-CD2 4.01Å; L26-F30 HydrophobicContact CD2-CE2 4.35Å; L26-F30 HydrophobicContact CD2-CG 4.32Å; L26-F30 HydrophobicContact CG-CG 4.39Å; G27-F30 PolarHBondContact O-N 3.13Å; D28-F30 VanDerWaalsContact C-N 3.28Å; F30-Y32 WeakPolarHBondContact CD1-O 3.37Å; F30-Y32 HydrophobicContact CE1-CD2 4.1Å; F30-Y32 HydrophobicContact CE1-CG 4.33Å; F30-Y32 HydrophobicContact CE2-CD2 4.32Å; F30-Y32 AromaticContact CZ-CD2 3.85Å; F30-Y32 HydrophobicContact CZ-CD2 3.85Å; F30-Y32 HydrophobicContact CZ-CG 4.46Å; F30-Y32 PolarHBondContact O-N 3.06Å; F30-V34 HydrophobicContact CD1-CG2 4Å; F30-V34 HydrophobicContact CE1-CG2 3.7Å; F30-M68 HydrophobicContact CE1-CE 4.24Å; F30-M68 HydrophobicContact CZ-CE 4.28Å; F30-M183 HydrophobicContact CE2-CG 4.11Å; F30-M183 HydrophobicContact CE2-SD 3.9Å; F30-M183 HydrophobicContact CZ-SD 4.24Å; F30-F187 HydrophobicContact CD2-CB 4.42Å; F30-F187 AromaticContact CD2-CD2 3.92Å; F30-F187 HydrophobicContact CD2-CD2 3.92Å; F30-F187 HydrophobicContact CD2-CG 4.31Å; F30-F187 AromaticContact CE2-CD2 3.51Å; F30-F187 HydrophobicContact CE2-CD2 3.51Å; F30-F187 AromaticContact CE2-CE2 3.74Å; F30-F187 HydrophobicContact CE2-CE2 3.74Å; F30-F187 HydrophobicContact CE2-CG 4.19Å
31	P	88.9	Confident	89.5	Confident	37 Å²	37	66.8 Å²	66.8	24%	0.24	34%	0.343	C	S	.	.	S	Bend	trans	-74.6	-11.9	-168	26.5	-33.1	0	0	0	113.9	F187	P31-F187 HydrophobicContact CG-CB 4.01Å; P31-F187 HydrophobicContact CG-CD1 3.73Å; P31-F187 HydrophobicContact CG-CG 4.03Å
32	Y	90.5	Very high	89.8	Confident	39 Å²	39	68.5 Å²	68.5	15%	0.153	36%	0.356	C	S	.	.	S	Bend	trans	-104.6	149	-178.6	-58.9	-90.7	0	0	0	112.4	K7 V9 F30 P66 F119 F187	K7-Y32 HydrophobicContact CB-CD1 3.73Å; K7-Y32 HydrophobicContact CB-CE1 3.85Å; K7-Y32 HydrophobicContact CD-CE1 4.5Å; K7-Y32 CarbonylContact O-C 3.59Å; K7-Y32 WeakPolarHBondContact O-CA 3.45Å; K7-Y32 WeakPolarHBondContact O-CB 3.41Å; K7-Y32 WeakPolarHBondContact O-CD1 3.36Å; V9-Y32 HydrophobicContact CB-CD1 4.2Å; V9-Y32 HydrophobicContact CB-CG 4.03Å; V9-Y32 VanDerWaalsContact CG1-CB 3.47Å; V9-Y32 HydrophobicContact CG1-CG 4.15Å; F30-Y32 WeakPolarHBondContact CD1-O 3.37Å; F30-Y32 HydrophobicContact CE1-CD2 4.1Å; F30-Y32 HydrophobicContact CE1-CG 4.33Å; F30-Y32 HydrophobicContact CE2-CD2 4.32Å; F30-Y32 AromaticContact CZ-CD2 3.85Å; F30-Y32 HydrophobicContact CZ-CD2 3.85Å; F30-Y32 HydrophobicContact CZ-CG 4.46Å; F30-Y32 PolarHBondContact O-N 3.06Å; Y32-P66 HydrophobicContact CE1-CB 4.22Å; Y32-P66 HydrophobicContact CE1-CG 4.24Å; Y32-F119 HydrophobicContact CD2-CE2 4.34Å; Y32-F119 AromaticContact CE2-CE2 3.99Å; Y32-F119 HydrophobicContact CE2-CE2 3.99Å; Y32-F119 AromaticContact CE2-CZ 3.72Å; Y32-F119 HydrophobicContact CE2-CZ 3.72Å; Y32-F119 AromaticContact CZ-CZ 3.74Å; Y32-F187 HydrophobicContact CE2-CD1 4.34Å; Y32-F187 AromaticContact CE2-CE1 3.81Å; Y32-F187 HydrophobicContact CE2-CE1 3.81Å; Y32-F187 HydrophobicContact CE2-CZ 4.18Å
33	K	92.6	Very high	89.9	Confident	130 Å²	130	72.9 Å²	72.9	57%	0.565	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	118.8	161.5	-178.3	179.7	178.4	-179.4	0	108.6	R6 K7 T8 V9 V35	R6-K33 HydrophobicContact CB-CB 4.36Å; K7-K33 PolarHBondContact O-N 3.24Å; T8-K33 WeakPolarHBondContact CA-O 3.23Å; V9-K33 PolarHBondContact N-O 3.03Å; K33-V35 HydrophobicContact CG-CG1 4.5Å
34	V	94.1	Very high	90.1	Very high	22 Å²	22	72.6 Å²	72.6	13%	0.133	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.2	177	-173.1	0	0	0	0	109.9	V9 F11 L19 V23 L26 F30 M68	V9-V34 HydrophobicContact CG1-CB 4.38Å; V9-V34 HydrophobicContact CG1-CG2 3.95Å; F11-V34 HydrophobicContact CB-CG1 3.82Å; L19-V34 HydrophobicContact CD1-CB 4.48Å; L19-V34 HydrophobicContact CD1-CG1 3.63Å; V23-V34 HydrophobicContact CG2-CB 4.03Å; V23-V34 HydrophobicContact CG2-CG1 4.42Å; L26-V34 HydrophobicContact CD1-CG2 4.05Å; F30-V34 HydrophobicContact CD1-CG2 4Å; F30-V34 HydrophobicContact CE1-CG2 3.7Å; V34-M68 HydrophobicContact CB-CE 4.23Å; V34-M68 HydrophobicContact CG1-CE 3.61Å; V34-M68 HydrophobicContact CG2-CE 3.64Å
35	V	93.8	Very high	90.6	Very high	50 Å²	50	72.9 Å²	72.9	30%	0.303	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.3	169.5	-59.6	0	0	0	0	109	T8 V9 V10 F11 K33	T8-V35 HydrophobicContact CG2-CB 4.17Å; T8-V35 HydrophobicContact CG2-CG1 3.74Å; T8-V35 HydrophobicContact CG2-CG2 3.35Å; V9-V35 PolarHBondContact O-N 3.48Å; V10-V35 CarbonylContact C-O 3.6Å; V10-V35 WeakPolarHBondContact CA-O 3.39Å; V10-V35 HydrophobicContact CG2-CG2 4.04Å; F11-V35 PolarHBondContact N-O 3.46Å; K33-V35 HydrophobicContact CG-CG1 4.5Å
36	S	94.4	Very high	91.1	Very high	57 Å²	57	72.7 Å²	72.7	40%	0.399	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.1	173.2	67.9	0	0	0	0	111.3	F11	F11-S36 WeakPolarHBondContact O-CA 3.5Å
37	K	93.9	Very high	91.5	Very high	113 Å²	113	78.4 Å²	78.4	49%	0.491	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.7	165.5	-166.3	-177	-178.1	-178.8	0	108.6	V10 F11 V12 T13 I39 I63	V10-K37 HydrophobicContact CG1-CB 3.51Å; F11-K37 PolarHBondContact O-N 3Å; F11-K37 VanDerWaalsContact O-N 3.1Å; V12-K37 WeakPolarHBondContact CA-O 3.47Å; T13-K37 PolarHBondContact N-O 3.37Å; K37-I39 HydrophobicContact CB-CG1 4.43Å; K37-I39 HydrophobicContact CD-CD1 4.24Å; K37-I39 HydrophobicContact CD-CG1 4.11Å; K37-I39 HydrophobicContact CG-CG1 4.12Å; K37-I63 HydrophobicContact CD-CD1 3.61Å
38	K	93.2	Very high	92	Very high	177 Å²	177	77.9 Å²	77.9	77%	0.77	39%	0.392	S	S	*	.			trans	-79	122.8	169.5	-171.8	178.3	178.8	-176.7	0	108.5
39	I	91.7	Very high	92.8	Very high	29 Å²	29	74.2 Å²	74.2	15%	0.149	37%	0.373	C	S	.	.			trans	-131.2	144.3	176.5	-53	174.2	0	0	0	106.7	V12 K37 L41 Q62 I63	V12-I39 HydrophobicContact CG1-CB 3.93Å; V12-I39 HydrophobicContact CG1-CD1 4.4Å; V12-I39 HydrophobicContact CG1-CG1 4.27Å; V12-I39 HydrophobicContact CG2-CD1 3.98Å; K37-I39 HydrophobicContact CB-CG1 4.43Å; K37-I39 HydrophobicContact CD-CD1 4.24Å; K37-I39 HydrophobicContact CD-CG1 4.11Å; K37-I39 HydrophobicContact CG-CG1 4.12Å; I39-L41 HydrophobicContact CG2-CD2 4.2Å; I39-L41 HydrophobicContact CG2-CG 4.44Å; I39-L41 PolarHBondContact O-N 2.94Å; I39-Q62 HydrophobicContact CG2-CB 4.46Å; I39-I63 HydrophobicContact CD1-CD1 3.26Å; I39-I63 HydrophobicContact CD1-CG1 3.38Å; I39-I63 HydrophobicContact CG1-CD1 4.36Å
40	D	91.1	Very high	93.6	Very high	149 Å²	149	73.8 Å²	73.8	80%	0.797	37%	0.371	S	S	*	.			trans	-80.9	116.7	171.6	-164.6	32.5	0	0	0	109.1	Q62	D40-Q62 PolarHBondContact O-NE2 3.22Å
41	L	92.1	Very high	94.1	Very high	17 Å²	17	74 Å²	74	9%	0.089	37%	0.372	C	S	.	.			trans	-122.5	138.4	178.9	-65.5	178.3	0	0	0	108.4	V12 I39 K55 E58 A59 V69	V12-L41 HydrophobicContact CB-CD1 4.3Å; V12-L41 HydrophobicContact CG1-CD1 3.76Å; V12-L41 HydrophobicContact CG1-CG 4.38Å; V12-L41 HydrophobicContact CG2-CD1 4.42Å; I39-L41 HydrophobicContact CG2-CD2 4.2Å; I39-L41 HydrophobicContact CG2-CG 4.44Å; I39-L41 PolarHBondContact O-N 2.94Å; L41-K55 HydrophobicContact CB-CG 4.33Å; L41-K55 HydrophobicContact CD1-CG 3.79Å; L41-E58 HydrophobicContact CD2-CB 4.35Å; L41-E58 HydrophobicContact CD2-CG 3.89Å; L41-A59 HydrophobicContact CD1-CB 3.83Å; L41-A59 HydrophobicContact CD2-CB 4.02Å; L41-V69 HydrophobicContact CD1-CG1 4.08Å
42	P	91.5	Very high	94.5	Very high	63 Å²	63	72.2 Å²	72.2	41%	0.409	36%	0.36	S	S	.	.			trans	-58.5	140.7	172.7	-21.3	32.7	0	0	0	111.3	Y44	P42-Y44 HydrophobicContact CB-CD1 4.44Å; P42-Y44 HydrophobicContact CB-CD2 4.48Å; P42-Y44 HydrophobicContact CB-CE1 3.97Å; P42-Y44 HydrophobicContact CB-CE2 4Å; P42-Y44 HydrophobicContact CG-CE1 4.4Å; P42-Y44 HydrophobicContact CG-CE2 4.39Å; P42-Y44 WeakPolarHBondContact O-CD2 3.48Å; P42-Y44 PolarHBondContact O-N 3.07Å
43	E	90.9	Very high	94.9	Very high	93 Å²	93	73 Å²	73	44%	0.435	37%	0.367	S	S	.	.			trans	-89.5	96.9	168.4	-59.3	-80.5	-151.2	0	0	107.5	K55 K88	E43-K55 IonicContact OE2-NZ 3.92Å; E43-K55 PolarHBondContact OE2-NZ 3.41Å; E43-K88 IonicContact OE1-NZ 3.77Å; E43-K88 PolarHBondContact OE1-NZ 2.87Å
44	Y	95.5	Very high	95.1	Very high	67 Å²	67	71 Å²	71	26%	0.263	36%	0.359	S	S	.	.			trans	-71.1	159.8	-178.7	-59.7	-79.5	0	0	0	112.1	P42 Q54 K55	P42-Y44 HydrophobicContact CB-CD1 4.44Å; P42-Y44 HydrophobicContact CB-CD2 4.48Å; P42-Y44 HydrophobicContact CB-CE1 3.97Å; P42-Y44 HydrophobicContact CB-CE2 4Å; P42-Y44 HydrophobicContact CG-CE1 4.4Å; P42-Y44 HydrophobicContact CG-CE2 4.39Å; P42-Y44 WeakPolarHBondContact O-CD2 3.48Å; P42-Y44 PolarHBondContact O-N 3.07Å; Y44-Q54 HydrophobicContact CD1-CB 4.45Å; Y44-Q54 VanDerWaalsContact CD1-OE1 3.22Å; Y44-Q54 HydrophobicContact CD2-CB 3.81Å; Y44-Q54 HydrophobicContact CE1-CB 4.49Å; Y44-Q54 HydrophobicContact CE2-CB 3.87Å; Y44-Q54 HydrophobicContact CG-CB 4.12Å; Y44-K55 HydrophobicContact CD2-CB 4.3Å; Y44-K55 HydrophobicContact CE2-CB 4.36Å
45	Q	97.7	Very high	95.2	Very high	164 Å²	164	71.1 Å²	71.1	77%	0.766	36%	0.358	S	S	*	.			trans	-108.2	150.8	170	-59.5	179.7	34	0	0	109.1	Y86	Q45-Y86 HydrophobicContact CB-CE1 4.21Å; Q45-Y86 HydrophobicContact CG-CE1 4.03Å
46	G	96.4	Very high	95.4	Very high	25 Å²	25	68.7 Å²	68.7	26%	0.258	34%	0.343	S	S	.	.	S	Bend	trans	140.7	-163	-177.7	0	0	0	0	0	112	I51 Y86	G46-I51 VanDerWaalsContact O-CD1 3.31Å; G46-I51 WeakPolarHBondContact O-CD1 3.31Å; G46-Y86 PolarHBondContact N-OH 3.19Å; G46-Y86 VanDerWaalsContact N-OH 3.16Å
47	E	97.2	Very high	95.5	Very high	125 Å²	125	71.8 Å²	71.8	58%	0.584	35%	0.35	S	S	*	.			trans	-73.9	151.5	174.2	-68.1	-57.7	139	0	0	111.1	D49 E50 I51	E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 2.97Å; E47-D49 VanDerWaalsContact O-N 3.13Å; E47-E50 HydrophobicContact CB-CG 4.24Å; E47-E50 PolarHBondContact N-OE2 3.23Å; E47-E50 PolarHBondContact O-N 2.93Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.24Å
48	P	97	Very high	95.6	Very high	23 Å²	23	68.1 Å²	68.1	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-51.9	-41.2	-175.2	-29.7	35.8	0	0	0	114.4	S52 L114	P48-S52 PolarHBondContact O-N 3.26Å; P48-S52 VanDerWaalsContact O-N 3.07Å; P48-S52 PolarHBondContact O-OG 2.88Å; P48-L114 HydrophobicContact CB-CD2 3.98Å; P48-L114 HydrophobicContact CG-CD2 4.27Å
49	D	97.8	Very high	95.8	Very high	59 Å²	59	59.7 Å²	59.7	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-68.5	-41.8	-179.9	-77.4	-13.2	0	0	0	112.6	E47 S52 I53 L129 R131	E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 2.97Å; E47-D49 VanDerWaalsContact O-N 3.13Å; D49-S52 PolarHBondContact O-N 2.83Å; D49-I53 WeakPolarHBondContact O-CB 3.42Å; D49-I53 WeakPolarHBondContact O-CD1 3.29Å; D49-I53 VanDerWaalsContact O-CG1 3.22Å; D49-I53 WeakPolarHBondContact O-CG1 3.45Å; D49-I53 PolarHBondContact O-N 2.83Å; D49-L129 HydrophobicContact CB-CD1 3.85Å; D49-R131 IonicContact OD1-CZ 3.25Å; D49-R131 IonicContact OD1-NE 2.72Å; D49-R131 PolarHBondContact OD1-NE 2.87Å; D49-R131 IonicContact OD1-NH2 2.9Å; D49-R131 PolarHBondContact OD1-NH2 2.82Å; D49-R131 IonicContact OD2-CZ 2.82Å; D49-R131 IonicContact OD2-NE 2.75Å; D49-R131 PolarHBondContact OD2-NE 2.63Å; D49-R131 IonicContact OD2-NH2 2.72Å; D49-R131 PolarHBondContact OD2-NH2 3.34Å
50	E	97.6	Very high	96	Very high	107 Å²	107	58.3 Å²	58.3	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-43.5	-180	-61.3	177.5	159	0	0	110.6	E47 I53 Q54	E47-E50 HydrophobicContact CB-CG 4.24Å; E47-E50 PolarHBondContact N-OE2 3.23Å; E47-E50 PolarHBondContact O-N 2.93Å; E50-I53 PolarHBondContact O-N 2.88Å; E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.32Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 2.97Å
51	I	97.8	Very high	96.2	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-52.2	175.1	-67.7	171.1	0	0	0	110	G46 E47 I53 Q54 K55 P85	G46-I51 VanDerWaalsContact O-CD1 3.31Å; G46-I51 WeakPolarHBondContact O-CD1 3.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.24Å; I51-I53 VanDerWaalsContact C-N 3.31Å; I51-I53 PolarHBondContact O-N 3.02Å; I51-Q54 PolarHBondContact O-N 3.1Å; I51-K55 VanDerWaalsContact O-CB 3.23Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 PolarHBondContact O-N 3.14Å; I51-P85 HydrophobicContact CD1-CB 3.53Å; I51-P85 HydrophobicContact CD1-CG 3.65Å
52	S	97.8	Very high	96.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-36.2	-178.6	-69	0	0	0	0	112.5	P48 D49 C56 D71	P48-S52 PolarHBondContact O-N 3.26Å; P48-S52 VanDerWaalsContact O-N 3.07Å; P48-S52 PolarHBondContact O-OG 2.88Å; D49-S52 PolarHBondContact O-N 2.83Å; S52-C56 WeakPolarHBondContact O-CB 3.3Å; S52-C56 PolarHBondContact O-N 2.74Å; S52-D71 WeakPolarHBondContact CA-OD2 3.18Å; S52-D71 PolarHBondContact OG-OD2 3.37Å
53	I	98	Very high	96.5	Very high	56 Å²	56	60.2 Å²	60.2	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-51	174.4	-70.7	163.1	0	0	0	111	D49 E50 I51 K55 C56 K57 V127 L129	D49-I53 WeakPolarHBondContact O-CB 3.42Å; D49-I53 WeakPolarHBondContact O-CD1 3.29Å; D49-I53 VanDerWaalsContact O-CG1 3.22Å; D49-I53 WeakPolarHBondContact O-CG1 3.45Å; D49-I53 PolarHBondContact O-N 2.83Å; E50-I53 PolarHBondContact O-N 2.88Å; I51-I53 VanDerWaalsContact C-N 3.31Å; I51-I53 PolarHBondContact O-N 3.02Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.49Å; I53-C56 PolarHBondContact O-N 3.4Å; I53-K57 HydrophobicContact CG2-CD 4.11Å; I53-K57 HydrophobicContact CG2-CG 4.48Å; I53-K57 WeakPolarHBondContact O-CB 3.48Å; I53-K57 WeakPolarHBondContact O-CG 3.37Å; I53-K57 PolarHBondContact O-N 2.76Å; I53-V127 HydrophobicContact CG1-CB 4.38Å; I53-V127 HydrophobicContact CG1-CG1 4.23Å; I53-V127 HydrophobicContact CG2-CB 4.48Å; I53-V127 HydrophobicContact CG2-CG2 4.35Å; I53-L129 HydrophobicContact CD1-CD1 3.92Å; I53-L129 HydrophobicContact CG1-CD1 3.87Å; I53-L129 HydrophobicContact CG1-CD2 4.09Å; I53-L129 HydrophobicContact CG1-CG 4.22Å
54	Q	97.4	Very high	96.6	Very high	87 Å²	87	61.2 Å²	61.2	41%	0.407	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-43.8	-178.3	-71.6	178.8	8.5	0	0	111.3	Y44 E50 I51 K57 E58	Y44-Q54 HydrophobicContact CD1-CB 4.45Å; Y44-Q54 VanDerWaalsContact CD1-OE1 3.22Å; Y44-Q54 HydrophobicContact CD2-CB 3.81Å; Y44-Q54 HydrophobicContact CE1-CB 4.49Å; Y44-Q54 HydrophobicContact CE2-CB 3.87Å; Y44-Q54 HydrophobicContact CG-CB 4.12Å; E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.32Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 2.97Å; I51-Q54 PolarHBondContact O-N 3.1Å; Q54-K57 PolarHBondContact O-N 2.94Å; Q54-E58 WeakPolarHBondContact O-CB 3.35Å; Q54-E58 PolarHBondContact O-N 2.8Å
55	K	96.9	Very high	96.5	Very high	25 Å²	25	58.7 Å²	58.7	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-43.6	176.7	-168.7	171.3	-174.1	167.4	0	112.3	L41 E43 Y44 I51 I53 A59 V69 D71	L41-K55 HydrophobicContact CB-CG 4.33Å; L41-K55 HydrophobicContact CD1-CG 3.79Å; E43-K55 IonicContact OE2-NZ 3.92Å; E43-K55 PolarHBondContact OE2-NZ 3.41Å; Y44-K55 HydrophobicContact CD2-CB 4.3Å; Y44-K55 HydrophobicContact CE2-CB 4.36Å; I51-K55 VanDerWaalsContact O-CB 3.23Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 PolarHBondContact O-N 3.14Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.49Å; K55-A59 WeakPolarHBondContact O-CB 3.33Å; K55-A59 PolarHBondContact O-N 2.79Å; K55-V69 HydrophobicContact CB-CG2 4.45Å; K55-V69 HydrophobicContact CG-CG1 4.48Å; K55-V69 HydrophobicContact CG-CG2 4.33Å; K55-D71 WeakPolarHBondContact CD-OD1 3.17Å; K55-D71 IonicContact NZ-OD1 3.83Å; K55-D71 PolarHBondContact NZ-OD1 3.1Å
56	C	97.4	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-41.8	178.2	-165.6	0	0	0	0	112.2	S52 I53 A59 A60 V69 A118 C120 V127	S52-C56 WeakPolarHBondContact O-CB 3.3Å; S52-C56 PolarHBondContact O-N 2.74Å; I53-C56 PolarHBondContact O-N 3.4Å; C56-A59 WeakPolarHBondContact O-CB 3.48Å; C56-A59 PolarHBondContact O-N 2.95Å; C56-A60 WeakPolarHBondContact O-CB 3.38Å; C56-A60 PolarHBondContact O-N 2.94Å; C56-V69 HydrophobicContact CB-CG2 3.76Å; C56-A118 HydrophobicContact CB-CB 3.63Å; C56-A118 VanDerWaalsContact SG-C 3.58Å; C56-A118 PolarHBondContact SG-O 2.95Å; C56-C120 VanDerWaalsContact SG-CB 3.55Å; C56-V127 HydrophobicContact CB-CG1 3.9Å; C56-V127 HydrophobicContact CB-CG2 4.08Å
57	K	96.7	Very high	96.4	Very high	122 Å²	122	51.2 Å²	51.2	53%	0.53	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-45.1	175.6	-76.3	-178	175.8	-177.2	0	112.1	I53 Q54 A59 A60 R61 V127	I53-K57 HydrophobicContact CG2-CD 4.11Å; I53-K57 HydrophobicContact CG2-CG 4.48Å; I53-K57 WeakPolarHBondContact O-CB 3.48Å; I53-K57 WeakPolarHBondContact O-CG 3.37Å; I53-K57 PolarHBondContact O-N 2.76Å; Q54-K57 PolarHBondContact O-N 2.94Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.95Å; K57-A60 PolarHBondContact O-N 2.88Å; K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 PolarHBondContact O-N 3.16Å; K57-V127 HydrophobicContact CG-CG2 3.73Å
58	E	96.6	Very high	96.4	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-40.1	177.3	178.5	51.9	-154.8	0	0	111.4	L41 Q54 A60 R61 Q62	L41-E58 HydrophobicContact CD2-CB 4.35Å; L41-E58 HydrophobicContact CD2-CG 3.89Å; Q54-E58 WeakPolarHBondContact O-CB 3.35Å; Q54-E58 PolarHBondContact O-N 2.8Å; E58-A60 PolarHBondContact O-N 3.26Å; E58-R61 WeakPolarHBondContact O-CB 3.22Å; E58-R61 PolarHBondContact O-N 3.17Å; E58-R61 IonicContact OE1-CZ 3.48Å; E58-R61 IonicContact OE1-NE 3.16Å; E58-R61 PolarHBondContact OE1-NE 2.97Å; E58-R61 IonicContact OE1-NH2 2.69Å; E58-R61 PolarHBondContact OE1-NH2 2.82Å; E58-R61 IonicContact OE2-CZ 3.58Å; E58-R61 IonicContact OE2-NE 2.74Å; E58-R61 PolarHBondContact OE2-NE 2.89Å; E58-R61 IonicContact OE2-NH2 3.47Å; E58-R61 PolarHBondContact OE2-NH2 2.72Å; E58-Q62 WeakPolarHBondContact O-CG 3.49Å; E58-Q62 PolarHBondContact O-N 2.82Å; E58-Q62 VanDerWaalsContact O-N 3.07Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.37Å; E58-Q62 PolarHBondContact OE1-NE2 3.06Å
59	A	96.8	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-43.2	173.6	0	0	0	0	0	112.5	V12 L41 K55 C56 K57 R61 Q62 I63 V67 V69	V12-A59 HydrophobicContact CG2-CB 3.99Å; L41-A59 HydrophobicContact CD1-CB 3.83Å; L41-A59 HydrophobicContact CD2-CB 4.02Å; K55-A59 WeakPolarHBondContact O-CB 3.33Å; K55-A59 PolarHBondContact O-N 2.79Å; C56-A59 WeakPolarHBondContact O-CB 3.48Å; C56-A59 PolarHBondContact O-N 2.95Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.95Å; A59-R61 VanDerWaalsContact C-N 3.32Å; A59-R61 PolarHBondContact O-N 3.21Å; A59-Q62 PolarHBondContact O-N 2.83Å; A59-I63 WeakPolarHBondContact O-CB 3.4Å; A59-I63 WeakPolarHBondContact O-CG1 3.41Å; A59-I63 PolarHBondContact O-N 3.3Å; A59-V67 HydrophobicContact CB-CG1 4.24Å; A59-V67 HydrophobicContact CB-CG2 3.7Å; A59-V69 HydrophobicContact CB-CG1 3.81Å
60	A	96.1	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-38.4	178.1	0	0	0	0	0	111.4	C56 K57 E58 D64 V67 C120	C56-A60 WeakPolarHBondContact O-CB 3.38Å; C56-A60 PolarHBondContact O-N 2.94Å; K57-A60 PolarHBondContact O-N 2.88Å; E58-A60 PolarHBondContact O-N 3.26Å; A60-D64 WeakPolarHBondContact O-CA 3.17Å; A60-D64 PolarHBondContact O-N 3.22Å; A60-V67 HydrophobicContact CB-CG1 3.71Å; A60-C120 HydrophobicContact CB-CB 4.25Å
61	R	94.9	Very high	96.2	Very high	155 Å²	155	38 Å²	38	59%	0.585	18%	0.182	S	C	*	.	H	α-helix	trans	-63.1	-41.4	175.4	-168.8	-169.4	70	77	0.6	112.3	K57 E58 A59	K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 PolarHBondContact O-N 3.16Å; E58-R61 WeakPolarHBondContact O-CB 3.22Å; E58-R61 PolarHBondContact O-N 3.17Å; E58-R61 IonicContact OE1-CZ 3.48Å; E58-R61 IonicContact OE1-NE 3.16Å; E58-R61 PolarHBondContact OE1-NE 2.97Å; E58-R61 IonicContact OE1-NH2 2.69Å; E58-R61 PolarHBondContact OE1-NH2 2.82Å; E58-R61 IonicContact OE2-CZ 3.58Å; E58-R61 IonicContact OE2-NE 2.74Å; E58-R61 PolarHBondContact OE2-NE 2.89Å; E58-R61 IonicContact OE2-NH2 3.47Å; E58-R61 PolarHBondContact OE2-NH2 2.72Å; A59-R61 VanDerWaalsContact C-N 3.32Å; A59-R61 PolarHBondContact O-N 3.21Å
62	Q	95.4	Very high	96.1	Very high	83 Å²	83	39.2 Å²	39.2	39%	0.388	19%	0.189	S	C	.	.	H	α-helix	trans	-77.8	-31.8	179.6	-67.8	-169.4	39.5	0	0	113.5	I39 D40 E58 A59	I39-Q62 HydrophobicContact CG2-CB 4.46Å; D40-Q62 PolarHBondContact O-NE2 3.22Å; E58-Q62 WeakPolarHBondContact O-CG 3.49Å; E58-Q62 PolarHBondContact O-N 2.82Å; E58-Q62 VanDerWaalsContact O-N 3.07Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.37Å; E58-Q62 PolarHBondContact OE1-NE2 3.06Å; A59-Q62 PolarHBondContact O-N 2.83Å
63	I	94.4	Very high	96.1	Very high	32 Å²	32	39.4 Å²	39.4	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-84	-30.2	-179.7	-73.2	-58.7	0	0	0	113.1	V10 K37 I39 A59 V67	V10-I63 HydrophobicContact CB-CD1 4.5Å; V10-I63 HydrophobicContact CB-CG1 4.42Å; V10-I63 HydrophobicContact CB-CG2 4.33Å; V10-I63 HydrophobicContact CG1-CD1 4.16Å; V10-I63 HydrophobicContact CG1-CG1 4.35Å; V10-I63 HydrophobicContact CG2-CD1 4.26Å; V10-I63 HydrophobicContact CG2-CG2 3.86Å; K37-I63 HydrophobicContact CD-CD1 3.61Å; I39-I63 HydrophobicContact CD1-CD1 3.26Å; I39-I63 HydrophobicContact CD1-CG1 3.38Å; I39-I63 HydrophobicContact CG1-CD1 4.36Å; A59-I63 WeakPolarHBondContact O-CB 3.4Å; A59-I63 WeakPolarHBondContact O-CG1 3.41Å; A59-I63 PolarHBondContact O-N 3.3Å; I63-V67 HydrophobicContact CG1-CG2 4.48Å
64	D	93.3	Very high	96.1	Very high	114 Å²	114	36.8 Å²	36.8	61%	0.61	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	51.4	-171.4	-161.2	36	0	0	0	112	A60 K123	A60-D64 WeakPolarHBondContact O-CA 3.17Å; A60-D64 PolarHBondContact O-N 3.22Å; D64-K123 IonicContact OD1-NZ 2.82Å
65	G	92.6	Very high	96.2	Very high	14 Å²	14	32.9 Å²	32.9	14%	0.144	16%	0.159	C	C	.	.	S	Bend	trans	175.5	-174.3	-178.5	0	0	0	0	0	113.7	V67	G65-V67 PolarHBondContact O-N 3.29Å
66	P	95.8	Very high	96.3	Very high	31 Å²	31	31.7 Å²	31.7	20%	0.201	15%	0.154	C	C	.	.			trans	-60.4	128.1	-179.2	-21.6	31.1	0	0	0	111.9	V9 V10 Y32 F119 C120 A121	V9-P66 WeakPolarHBondContact CA-O 3.5Å; V9-P66 HydrophobicContact CB-CB 4.25Å; V9-P66 HydrophobicContact CG2-CB 4.2Å; V10-P66 PolarHBondContact N-O 3.14Å; Y32-P66 HydrophobicContact CE1-CB 4.22Å; Y32-P66 HydrophobicContact CE1-CG 4.24Å; P66-F119 HydrophobicContact CB-CE2 4.48Å; P66-C120 CarbonylContact C-O 3.57Å; P66-C120 VanDerWaalsContact CA-O 3.29Å; P66-C120 WeakPolarHBondContact CA-O 3.29Å; P66-A121 WeakPolarHBondContact CG-O 3.45Å
67	V	97.3	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.4	-177	70.6	0	0	0	0	110.9	V10 V12 A59 A60 I63 G65 F119 C120	V10-V67 HydrophobicContact CB-CG2 4.45Å; V10-V67 CarbonylContact O-C 3.52Å; V10-V67 WeakPolarHBondContact O-CA 3.48Å; V10-V67 WeakPolarHBondContact O-CG2 3.39Å; V12-V67 HydrophobicContact CG2-CG2 3.59Å; A59-V67 HydrophobicContact CB-CG1 4.24Å; A59-V67 HydrophobicContact CB-CG2 3.7Å; A60-V67 HydrophobicContact CB-CG1 3.71Å; I63-V67 HydrophobicContact CG1-CG2 4.48Å; G65-V67 PolarHBondContact O-N 3.29Å; V67-F119 WeakPolarHBondContact O-CA 3.3Å; V67-C120 HydrophobicContact CG1-CB 4Å; V67-C120 PolarHBondContact N-O 2.98Å; V67-C120 PolarHBondContact O-N 3.22Å
68	M	96.9	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.5	163.9	70.3	171.9	108	0	0	110.6	V9 V10 F11 V12 V22 L26 F30 V34 F117 A118	V9-M68 HydrophobicContact CB-CE 4.41Å; V9-M68 HydrophobicContact CG1-CE 3.43Å; V9-M68 VanDerWaalsContact CG1-CE 3.43Å; V9-M68 HydrophobicContact CG2-CB 4.38Å; V9-M68 HydrophobicContact CG2-CE 4.05Å; V9-M68 HydrophobicContact CG2-CG 4.37Å; V10-M68 PolarHBondContact O-N 2.93Å; F11-M68 WeakPolarHBondContact CA-O 3.49Å; F11-M68 HydrophobicContact CB-CE 4.24Å; F11-M68 HydrophobicContact CB-CG 3.79Å; F11-M68 HydrophobicContact CB-SD 4.08Å; F11-M68 HydrophobicContact CD2-CG 3.8Å; F11-M68 HydrophobicContact CD2-SD 4.19Å; F11-M68 HydrophobicContact CG-CG 4.1Å; F11-M68 HydrophobicContact CG-SD 4.19Å; V12-M68 PolarHBondContact N-O 3.33Å; V22-M68 HydrophobicContact CG1-SD 4.32Å; L26-M68 HydrophobicContact CD1-CE 4.38Å; F30-M68 HydrophobicContact CE1-CE 4.24Å; F30-M68 HydrophobicContact CZ-CE 4.28Å; V34-M68 HydrophobicContact CB-CE 4.23Å; V34-M68 HydrophobicContact CG1-CE 3.61Å; V34-M68 HydrophobicContact CG2-CE 3.64Å; M68-F117 HydrophobicContact SD-CD1 4.28Å; M68-F117 HydrophobicContact SD-CE1 4.39Å; M68-A118 CarbonylContact C-O 3.53Å; M68-A118 WeakPolarHBondContact CA-O 3.49Å
69	V	96.9	Very high	96.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.8	172	-56.2	0	0	0	0	109.2	V12 L41 K55 C56 A59 F117 A118	V12-V69 HydrophobicContact CB-CG1 4.01Å; V12-V69 HydrophobicContact CG2-CG1 3.91Å; L41-V69 HydrophobicContact CD1-CG1 4.08Å; K55-V69 HydrophobicContact CB-CG2 4.45Å; K55-V69 HydrophobicContact CG-CG1 4.48Å; K55-V69 HydrophobicContact CG-CG2 4.33Å; C56-V69 HydrophobicContact CB-CG2 3.76Å; A59-V69 HydrophobicContact CB-CG1 3.81Å; V69-F117 WeakPolarHBondContact O-CA 3.34Å; V69-A118 HydrophobicContact CG2-CB 3.76Å; V69-A118 PolarHBondContact N-O 3.02Å; V69-A118 PolarHBondContact O-N 3.18Å
70	E	95.9	Very high	96.6	Very high	17 Å²	17	36.3 Å²	36.3	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.2	176.8	-179	-160.6	-171.2	0	0	108.9	F11 K18 T116 F117 R176	F11-E70 HydrophobicContact CE2-CB 3.81Å; F11-E70 HydrophobicContact CZ-CB 4.14Å; K18-E70 WeakPolarHBondContact CD-OE2 3.17Å; K18-E70 WeakPolarHBondContact CE-OE2 3.49Å; K18-E70 IonicContact NZ-OE1 3.8Å; K18-E70 IonicContact NZ-OE2 2.63Å; K18-E70 PolarHBondContact NZ-OE2 3.07Å; E70-T116 WeakPolarHBondContact CA-O 3.45Å; E70-F117 HydrophobicContact CB-CD1 4.21Å; E70-F117 HydrophobicContact CB-CE1 3.83Å; E70-F117 HydrophobicContact CB-CZ 3.99Å; E70-F117 HydrophobicContact CG-CD2 4.45Å; E70-F117 HydrophobicContact CG-CE1 4.13Å; E70-F117 HydrophobicContact CG-CE2 3.94Å; E70-F117 HydrophobicContact CG-CZ 3.75Å; E70-R176 IonicContact OE1-CZ 2.73Å; E70-R176 VanDerWaalsContact OE1-CZ 3.25Å; E70-R176 IonicContact OE1-NE 3.49Å; E70-R176 PolarHBondContact OE1-NE 3.34Å; E70-R176 IonicContact OE1-NH2 3.02Å; E70-R176 PolarHBondContact OE1-NH2 3.14Å; E70-R176 IonicContact OE2-NH2 2.65Å
71	D	95.2	Very high	96.7	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.7	166.8	-66.3	-56.6	0	0	0	110.2	S52 K55 T116	S52-D71 WeakPolarHBondContact CA-OD2 3.18Å; S52-D71 PolarHBondContact OG-OD2 3.37Å; K55-D71 WeakPolarHBondContact CD-OD1 3.17Å; K55-D71 IonicContact NZ-OD1 3.83Å; K55-D71 PolarHBondContact NZ-OD1 3.1Å; D71-T116 PolarHBondContact N-O 3.21Å; D71-T116 PolarHBondContact O-N 3.46Å
72	T	95.2	Very high	96.9	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.202	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.6	179.6	-54.3	0	0	0	0	109.3	I87 L114 W149	T72-I87 WeakPolarHBondContact O-CG2 3.3Å; T72-L114 CarbonylContact C-O 3.49Å; T72-L114 WeakPolarHBondContact CA-O 3.47Å; T72-W149 HydrophobicContact CG2-CZ2 3.89Å
73	C	97.9	Very high	97	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.1	174.5	-55.6	0	0	0	0	109.9	G84 P85 A113 L114	C73-G84 WeakPolarHBondContact CA-O 3.24Å; C73-P85 VanDerWaalsContact SG-CA 3.56Å; C73-A113 WeakPolarHBondContact O-CA 3.43Å; C73-L114 HydrophobicContact CB-CB 4.18Å; C73-L114 PolarHBondContact N-O 3.32Å; C73-L114 PolarHBondContact O-N 3.22Å
74	L	98.6	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.4	163.7	-176.5	68.7	0	0	0	107.8	F76 P83 G84 I87 A113 I138 W149 F153	L74-F76 HydrophobicContact CD2-CE1 3.64Å; L74-F76 HydrophobicContact CD2-CZ 4.22Å; L74-F76 HydrophobicContact CG-CD1 4.37Å; L74-F76 HydrophobicContact CG-CE1 3.71Å; L74-P83 WeakPolarHBondContact O-CD 3.44Å; L74-G84 PolarHBondContact N-O 2.9Å; L74-G84 WeakPolarHBondContact O-CA 3.42Å; L74-G84 PolarHBondContact O-N 3.23Å; L74-I87 HydrophobicContact CB-CB 4.18Å; L74-I87 HydrophobicContact CB-CD1 3.88Å; L74-I87 HydrophobicContact CB-CG1 3.7Å; L74-I87 HydrophobicContact CD2-CD1 3.83Å; L74-I87 HydrophobicContact CD2-CG1 4.34Å; L74-I87 HydrophobicContact CG-CD1 4.43Å; L74-A113 HydrophobicContact CD1-CB 4.17Å; L74-I138 HydrophobicContact CD1-CD1 4.36Å; L74-I138 HydrophobicContact CD2-CD1 4.1Å; L74-I138 HydrophobicContact CG-CD1 4.42Å; L74-W149 HydrophobicContact CB-CD2 4.36Å; L74-W149 HydrophobicContact CD1-CD2 4.29Å; L74-W149 HydrophobicContact CD1-CE3 3.91Å; L74-W149 HydrophobicContact CD1-CH2 4.17Å; L74-W149 HydrophobicContact CD1-CZ3 3.85Å; L74-W149 HydrophobicContact CD2-CB 4.01Å; L74-W149 HydrophobicContact CD2-CD2 3.78Å; L74-W149 HydrophobicContact CD2-CE3 3.88Å; L74-W149 HydrophobicContact CD2-CG 3.83Å; L74-W149 HydrophobicContact CG-CD2 4.36Å; L74-W149 HydrophobicContact CG-CE3 4.4Å; L74-F153 HydrophobicContact CD1-CD2 3.74Å; L74-F153 HydrophobicContact CD1-CE2 4.17Å; L74-F153 HydrophobicContact CD1-CG 4.27Å
75	C	98.8	Very high	97.4	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.034	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.2	-164.9	-67.9	0	0	0	0	110.4	G81 A111 W112	C75-G81 VanDerWaalsContact CA-O 3.25Å; C75-G81 WeakPolarHBondContact CA-O 3.23Å; C75-G81 VanDerWaalsContact CB-O 3.3Å; C75-G81 WeakPolarHBondContact CB-O 3.5Å; C75-G81 PolarHBondContact SG-O 2.97Å; C75-A111 CarbonylContact O-C 3.52Å; C75-A111 WeakPolarHBondContact O-CA 3.32Å; C75-A111 WeakPolarHBondContact O-CB 3.2Å; C75-W112 HydrophobicContact CB-CD2 3.52Å; C75-W112 HydrophobicContact CB-CE3 4.03Å; C75-W112 HydrophobicContact CB-CG 4.01Å; C75-W112 HydrophobicContact CB-CH2 3.84Å; C75-W112 HydrophobicContact CB-CZ2 3.32Å; C75-W112 HydrophobicContact CB-CZ3 4.17Å; C75-W112 PolarHBondContact N-O 3.4Å; C75-W112 PolarHBondContact O-N 3.15Å
76	F	98.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	178.5	-52.7	-15.3	0	0	0	109.1	L74 A78 L79 G81 L82 P83 L99 L102 L103 A111 I138	L74-F76 HydrophobicContact CD2-CE1 3.64Å; L74-F76 HydrophobicContact CD2-CZ 4.22Å; L74-F76 HydrophobicContact CG-CD1 4.37Å; L74-F76 HydrophobicContact CG-CE1 3.71Å; F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 3.31Å; F76-L79 HydrophobicContact CB-CB 4.32Å; F76-L79 HydrophobicContact CB-CD1 4.33Å; F76-L79 HydrophobicContact CB-CG 4.2Å; F76-L79 HydrophobicContact CD2-CD1 3.73Å; F76-L79 HydrophobicContact CD2-CG 4.42Å; F76-L79 HydrophobicContact CG-CD1 4.49Å; F76-L79 CarbonylContact O-C 3.53Å; F76-L79 PolarHBondContact O-N 3.12Å; F76-L79 VanDerWaalsContact O-N 3.08Å; F76-G81 WeakPolarHBondContact O-CA 3.38Å; F76-G81 PolarHBondContact O-N 3.3Å; F76-L82 VanDerWaalsContact CB-O 3.24Å; F76-L82 WeakPolarHBondContact CB-O 3.44Å; F76-L82 WeakPolarHBondContact CG-O 3.46Å; F76-L82 PolarHBondContact N-O 3.08Å; F76-P83 HydrophobicContact CZ-CG 4.43Å; F76-L99 HydrophobicContact CZ-CB 4.3Å; F76-L99 HydrophobicContact CZ-CD2 4.32Å; F76-L102 HydrophobicContact CE2-CD2 4.19Å; F76-L103 HydrophobicContact CB-CD1 4.26Å; F76-L103 HydrophobicContact CB-CD2 4.06Å; F76-L103 HydrophobicContact CD2-CD1 3.77Å; F76-L103 HydrophobicContact CD2-CD2 3.73Å; F76-L103 HydrophobicContact CD2-CG 3.75Å; F76-L103 HydrophobicContact CE2-CD1 4.22Å; F76-L103 HydrophobicContact CE2-CG 4.19Å; F76-L103 HydrophobicContact CG-CD1 4Å; F76-L103 HydrophobicContact CG-CD2 4.26Å; F76-L103 HydrophobicContact CG-CG 4.4Å; F76-A111 HydrophobicContact CD1-CB 3.97Å; F76-I138 HydrophobicContact CD1-CD1 3.81Å; F76-I138 HydrophobicContact CD1-CG1 3.59Å; F76-I138 HydrophobicContact CE1-CD1 3.31Å; F76-I138 HydrophobicContact CE1-CG1 3.44Å; F76-I138 VanDerWaalsContact CE1-CG1 3.44Å; F76-I138 HydrophobicContact CG-CG1 4.28Å; F76-I138 HydrophobicContact CZ-CD1 4.04Å; F76-I138 HydrophobicContact CZ-CG1 3.97Å
77	R	98.7	Very high	97.7	Very high	107 Å²	107	25.6 Å²	25.6	40%	0.404	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-62.3	-42.3	-175.4	-171.4	171.8	-58.1	-77.7	-2.1	111.9	L79 G80 D108 S110 W112 E135	R77-L79 PolarHBondContact O-N 2.82Å; R77-L79 VanDerWaalsContact O-N 3.14Å; R77-G80 PolarHBondContact O-N 3.35Å; R77-D108 WeakPolarHBondContact CB-OD2 3.4Å; R77-D108 WeakPolarHBondContact CG-OD2 3.43Å; R77-S110 WeakPolarHBondContact CB-O 3.43Å; R77-S110 VanDerWaalsContact CB-OG 3.29Å; R77-S110 WeakPolarHBondContact CB-OG 3.18Å; R77-S110 WeakPolarHBondContact CD-OG 3.45Å; R77-S110 PolarHBondContact N-O 3.21Å; R77-S110 PolarHBondContact NE-OG 3.23Å; R77-S110 VanDerWaalsContact NE-OG 3.13Å; R77-W112 HydrophobicContact CB-CZ3 4.15Å; R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.16Å; R77-E135 IonicContact NH2-OE2 2.56Å; R77-E135 PolarHBondContact NH2-OE2 2.99Å
78	A	98.6	Very high	97.6	Very high	27 Å²	27	31 Å²	31	22%	0.223	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23	176.2	0	0	0	0	0	114.5	F76 L103 F106 D108	F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 3.31Å; A78-L103 HydrophobicContact CB-CD2 4.1Å; A78-F106 HydrophobicContact CB-CB 3.77Å; A78-F106 HydrophobicContact CB-CD1 3.69Å; A78-F106 HydrophobicContact CB-CE1 4.41Å; A78-F106 HydrophobicContact CB-CG 3.74Å; A78-D108 HydrophobicContact CB-CB 4.29Å; A78-D108 WeakPolarHBondContact CB-O 3.42Å
79	L	98.5	Very high	97.6	Very high	46 Å²	46	38 Å²	38	24%	0.241	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-104.5	21.5	178	-54	-176.3	0	0	0	112.4	F76 R77 G81 L82 L102 L103 F106	F76-L79 HydrophobicContact CB-CB 4.32Å; F76-L79 HydrophobicContact CB-CD1 4.33Å; F76-L79 HydrophobicContact CB-CG 4.2Å; F76-L79 HydrophobicContact CD2-CD1 3.73Å; F76-L79 HydrophobicContact CD2-CG 4.42Å; F76-L79 HydrophobicContact CG-CD1 4.49Å; F76-L79 CarbonylContact O-C 3.53Å; F76-L79 PolarHBondContact O-N 3.12Å; F76-L79 VanDerWaalsContact O-N 3.08Å; R77-L79 PolarHBondContact O-N 2.82Å; R77-L79 VanDerWaalsContact O-N 3.14Å; L79-G81 PolarHBondContact O-N 3.34Å; L79-L82 HydrophobicContact CB-CB 3.96Å; L79-L82 WeakPolarHBondContact O-CB 3.5Å; L79-L82 PolarHBondContact O-N 3.04Å; L79-L102 HydrophobicContact CD1-CD2 3.98Å; L79-L102 HydrophobicContact CD1-CG 4.28Å; L79-L103 HydrophobicContact CD1-CD2 4.13Å; L79-L103 HydrophobicContact CD2-CD2 4.33Å; L79-L103 HydrophobicContact CG-CD2 3.89Å; L79-F106 HydrophobicContact CD2-CD2 4.26Å; L79-F106 HydrophobicContact CD2-CE1 4.26Å; L79-F106 HydrophobicContact CD2-CE2 3.52Å; L79-F106 HydrophobicContact CD2-CZ 3.52Å
80	G	98.3	Very high	97.6	Very high	75 Å²	75	41.3 Å²	41.3	77%	0.773	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	24	-178.8	0	0	0	0	0	113.7	R77	R77-G80 PolarHBondContact O-N 3.35Å
81	G	98.3	Very high	97.7	Very high	12 Å²	12	42 Å²	42	12%	0.124	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	-1.7	-178	0	0	0	0	0	115.3	C75 F76 L79 G84	C75-G81 VanDerWaalsContact CA-O 3.25Å; C75-G81 WeakPolarHBondContact CA-O 3.23Å; C75-G81 VanDerWaalsContact CB-O 3.3Å; C75-G81 WeakPolarHBondContact CB-O 3.5Å; C75-G81 PolarHBondContact SG-O 2.97Å; F76-G81 WeakPolarHBondContact O-CA 3.38Å; F76-G81 PolarHBondContact O-N 3.3Å; L79-G81 PolarHBondContact O-N 3.34Å; G81-G84 VanDerWaalsContact O-CA 3.26Å; G81-G84 WeakPolarHBondContact O-CA 3.44Å; G81-G84 PolarHBondContact O-N 2.75Å
82	L	98.6	Very high	97.7	Very high	85 Å²	85	43.4 Å²	43.4	45%	0.445	24%	0.235	S	C	.	.			trans	-72.5	155.1	168.4	-70.8	170.4	0	0	0	111.4	F76 L79 G84 Y86	F76-L82 VanDerWaalsContact CB-O 3.24Å; F76-L82 WeakPolarHBondContact CB-O 3.44Å; F76-L82 WeakPolarHBondContact CG-O 3.46Å; F76-L82 PolarHBondContact N-O 3.08Å; L79-L82 HydrophobicContact CB-CB 3.96Å; L79-L82 WeakPolarHBondContact O-CB 3.5Å; L79-L82 PolarHBondContact O-N 3.04Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-Y86 HydrophobicContact CD2-CD2 3.82Å; L82-Y86 HydrophobicContact CD2-CE2 3.94Å
83	P	98.3	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.9	-15.7	0.3	30.6	-36.6	0	0	0	114	L74 F76 Y86 I87 F90	L74-P83 WeakPolarHBondContact O-CD 3.44Å; F76-P83 HydrophobicContact CZ-CG 4.43Å; P83-Y86 VanDerWaalsContact O-CB 3.3Å; P83-Y86 WeakPolarHBondContact O-CB 3.26Å; P83-Y86 WeakPolarHBondContact O-CD2 3.39Å; P83-Y86 PolarHBondContact O-N 2.91Å; P83-I87 HydrophobicContact CG-CB 4.29Å; P83-I87 HydrophobicContact CG-CD1 3.67Å; P83-F90 HydrophobicContact CB-CB 4.09Å; P83-F90 HydrophobicContact CB-CD1 3.93Å; P83-F90 HydrophobicContact CB-CD2 3.47Å; P83-F90 VanDerWaalsContact CB-CD2 3.47Å; P83-F90 HydrophobicContact CB-CE1 4.21Å; P83-F90 HydrophobicContact CB-CE2 3.77Å; P83-F90 HydrophobicContact CB-CG 3.55Å; P83-F90 HydrophobicContact CB-CZ 4.14Å; P83-F90 HydrophobicContact CG-CB 4.34Å; P83-F90 HydrophobicContact CG-CG 4.23Å
84	G	98.3	Very high	97.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56	-123.5	171.8	0	0	0	0	0	112.3	C73 L74 G81 L82 Y86 I87	C73-G84 WeakPolarHBondContact CA-O 3.24Å; L74-G84 PolarHBondContact N-O 2.9Å; L74-G84 WeakPolarHBondContact O-CA 3.42Å; L74-G84 PolarHBondContact O-N 3.23Å; G81-G84 VanDerWaalsContact O-CA 3.26Å; G81-G84 WeakPolarHBondContact O-CA 3.44Å; G81-G84 PolarHBondContact O-N 2.75Å; L82-G84 VanDerWaalsContact C-N 3.28Å; G84-Y86 PolarHBondContact O-N 3.18Å; G84-Y86 VanDerWaalsContact O-N 3.14Å; G84-I87 WeakPolarHBondContact O-CB 3.43Å; G84-I87 WeakPolarHBondContact O-CG2 3.35Å; G84-I87 PolarHBondContact O-N 2.87Å
85	P	97.7	Very high	97.8	Very high	39 Å²	39	57.9 Å²	57.9	25%	0.253	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.6	179.8	29	-34.9	0	0	0	113.1	I51 C73 I87	I51-P85 HydrophobicContact CD1-CB 3.53Å; I51-P85 HydrophobicContact CD1-CG 3.65Å; C73-P85 VanDerWaalsContact SG-CA 3.56Å; P85-I87 VanDerWaalsContact C-N 3.31Å; P85-I87 PolarHBondContact O-N 2.72Å
86	Y	97.8	Very high	97.8	Very high	60 Å²	60	58.4 Å²	58.4	24%	0.235	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.5	-179	-45.7	-58.4	0	0	0	113.4	Q45 G46 L82 P83 G84 K88 W89 F90	Q45-Y86 HydrophobicContact CB-CE1 4.21Å; Q45-Y86 HydrophobicContact CG-CE1 4.03Å; G46-Y86 PolarHBondContact N-OH 3.19Å; G46-Y86 VanDerWaalsContact N-OH 3.16Å; L82-Y86 HydrophobicContact CD2-CD2 3.82Å; L82-Y86 HydrophobicContact CD2-CE2 3.94Å; P83-Y86 VanDerWaalsContact O-CB 3.3Å; P83-Y86 WeakPolarHBondContact O-CB 3.26Å; P83-Y86 WeakPolarHBondContact O-CD2 3.39Å; P83-Y86 PolarHBondContact O-N 2.91Å; G84-Y86 PolarHBondContact O-N 3.18Å; G84-Y86 VanDerWaalsContact O-N 3.14Å; Y86-K88 PolarHBondContact O-N 3.24Å; Y86-W89 PolarHBondContact O-N 3.4Å; Y86-F90 WeakPolarHBondContact O-CD2 3.38Å; Y86-F90 PolarHBondContact O-N 2.83Å
87	I	97.6	Very high	97.8	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-51.8	-34.6	-174.2	-176.5	59.6	0	0	0	113.8	T72 L74 P83 G84 P85 W89 F90 L91 L99 W149	T72-I87 WeakPolarHBondContact O-CG2 3.3Å; L74-I87 HydrophobicContact CB-CB 4.18Å; L74-I87 HydrophobicContact CB-CD1 3.88Å; L74-I87 HydrophobicContact CB-CG1 3.7Å; L74-I87 HydrophobicContact CD2-CD1 3.83Å; L74-I87 HydrophobicContact CD2-CG1 4.34Å; L74-I87 HydrophobicContact CG-CD1 4.43Å; P83-I87 HydrophobicContact CG-CB 4.29Å; P83-I87 HydrophobicContact CG-CD1 3.67Å; G84-I87 WeakPolarHBondContact O-CB 3.43Å; G84-I87 WeakPolarHBondContact O-CG2 3.35Å; G84-I87 PolarHBondContact O-N 2.87Å; P85-I87 VanDerWaalsContact C-N 3.31Å; P85-I87 PolarHBondContact O-N 2.72Å; I87-W89 VanDerWaalsContact C-N 3.28Å; I87-W89 PolarHBondContact O-N 2.93Å; I87-F90 PolarHBondContact O-N 2.91Å; I87-L91 VanDerWaalsContact O-CB 3.23Å; I87-L91 WeakPolarHBondContact O-CB 3.25Å; I87-L91 PolarHBondContact O-N 3.23Å; I87-L99 HydrophobicContact CD1-CD1 3.85Å; I87-L99 HydrophobicContact CD1-CD2 3.91Å; I87-W149 VanDerWaalsContact CG1-CD1 3.49Å; I87-W149 HydrophobicContact CG1-CG 4.21Å
88	K	94.3	Very high	97.7	Very high	112 Å²	112	58.5 Å²	58.5	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-53.4	-45.2	176.4	177.4	-174.5	178.1	-171.4	0	112.2	E43 Y86 A92	E43-K88 IonicContact OE1-NZ 3.77Å; E43-K88 PolarHBondContact OE1-NZ 2.87Å; Y86-K88 PolarHBondContact O-N 3.24Å; K88-A92 WeakPolarHBondContact O-CB 3.29Å; K88-A92 PolarHBondContact O-N 3.14Å; K88-A92 VanDerWaalsContact O-N 3.12Å
89	W	96.7	Very high	97.7	Very high	147 Å²	147	57.2 Å²	57.2	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-75.5	-42.8	-177.3	-55.2	110.8	0	0	0	111.4	Y86 I87 A92 Q93	Y86-W89 PolarHBondContact O-N 3.4Å; I87-W89 VanDerWaalsContact C-N 3.28Å; I87-W89 PolarHBondContact O-N 2.93Å; W89-A92 PolarHBondContact O-N 3.08Å; W89-Q93 WeakPolarHBondContact O-CG 3.33Å; W89-Q93 PolarHBondContact O-N 3.02Å
90	F	98.3	Very high	97.7	Very high	72 Å²	72	57.4 Å²	57.4	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-48.6	176	-81.6	-105.8	0	0	0	110.9	P83 Y86 I87 A92 Q93 L94 L99 L102	P83-F90 HydrophobicContact CB-CB 4.09Å; P83-F90 HydrophobicContact CB-CD1 3.93Å; P83-F90 HydrophobicContact CB-CD2 3.47Å; P83-F90 VanDerWaalsContact CB-CD2 3.47Å; P83-F90 HydrophobicContact CB-CE1 4.21Å; P83-F90 HydrophobicContact CB-CE2 3.77Å; P83-F90 HydrophobicContact CB-CG 3.55Å; P83-F90 HydrophobicContact CB-CZ 4.14Å; P83-F90 HydrophobicContact CG-CB 4.34Å; P83-F90 HydrophobicContact CG-CG 4.23Å; Y86-F90 WeakPolarHBondContact O-CD2 3.38Å; Y86-F90 PolarHBondContact O-N 2.83Å; I87-F90 PolarHBondContact O-N 2.91Å; F90-A92 VanDerWaalsContact C-N 3.33Å; F90-A92 PolarHBondContact O-N 2.9Å; F90-Q93 PolarHBondContact O-N 3.4Å; F90-L94 HydrophobicContact CB-CD1 4.48Å; F90-L94 HydrophobicContact CD1-CD1 3.87Å; F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.89Å; F90-L99 HydrophobicContact CB-CD2 3.83Å; F90-L102 HydrophobicContact CD1-CD2 3.85Å; F90-L102 HydrophobicContact CE1-CD2 3.88Å
91	L	97.2	Very high	97.7	Very high	31 Å²	31	61 Å²	61	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-41.4	177.5	177.5	65.6	0	0	0	112.3	I87 Q93 K95 P96 L99 W149	I87-L91 VanDerWaalsContact O-CB 3.23Å; I87-L91 WeakPolarHBondContact O-CB 3.25Å; I87-L91 PolarHBondContact O-N 3.23Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.94Å; L91-K95 WeakPolarHBondContact O-CA 3.43Å; L91-K95 PolarHBondContact O-N 3.05Å; L91-P96 HydrophobicContact CD1-CG 4.05Å; L91-L99 HydrophobicContact CB-CD1 4.32Å; L91-L99 HydrophobicContact CD1-CD1 3.83Å; L91-W149 HydrophobicContact CD1-CB 4.22Å; L91-W149 HydrophobicContact CD2-CB 4.4Å
92	A	96.1	Very high	97.8	Very high	49 Å²	49	63.4 Å²	63.4	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-59.3	-41.8	-179.4	0	0	0	0	0	112.1	K88 W89 F90 K95	K88-A92 WeakPolarHBondContact O-CB 3.29Å; K88-A92 PolarHBondContact O-N 3.14Å; K88-A92 VanDerWaalsContact O-N 3.12Å; W89-A92 PolarHBondContact O-N 3.08Å; F90-A92 VanDerWaalsContact C-N 3.33Å; F90-A92 PolarHBondContact O-N 2.9Å; A92-K95 PolarHBondContact O-NZ 3.44Å
93	Q	98.1	Very high	97.8	Very high	158 Å²	158	59.4 Å²	59.4	74%	0.738	28%	0.284	S	S	*	.	H	α-helix	trans	-85.8	-42.3	-176.7	-60.7	-56.4	-32.3	0	0	113	W89 F90 L91	W89-Q93 WeakPolarHBondContact O-CG 3.33Å; W89-Q93 PolarHBondContact O-N 3.02Å; F90-Q93 PolarHBondContact O-N 3.4Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.94Å
94	L	97.8	Very high	97.8	Very high	65 Å²	65	63.1 Å²	63.1	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-94.2	-23.5	-170.1	-61.7	-178.5	0	0	0	113.3	F90 G98 L99 L102	F90-L94 HydrophobicContact CB-CD1 4.48Å; F90-L94 HydrophobicContact CD1-CD1 3.87Å; F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.89Å; L94-G98 WeakPolarHBondContact O-CA 3.31Å; L94-G98 PolarHBondContact O-N 3.44Å; L94-L99 HydrophobicContact CD1-CD2 4.38Å; L94-L102 HydrophobicContact CD1-CD1 4.47Å; L94-L102 HydrophobicContact CD1-CD2 4.28Å
95	K	97.8	Very high	97.8	Very high	118 Å²	118	66.7 Å²	66.7	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	59	171.8	-166.6	-47.2	-58.6	-177.2	-168.7	0	111.6	L91 A92 E97 G98 L99	L91-K95 WeakPolarHBondContact O-CA 3.43Å; L91-K95 PolarHBondContact O-N 3.05Å; A92-K95 PolarHBondContact O-NZ 3.44Å; K95-E97 WeakPolarHBondContact CB-OE2 3.47Å; K95-E97 PolarHBondContact O-N 3.45Å; K95-G98 PolarHBondContact O-N 2.63Å; K95-L99 WeakPolarHBondContact O-CG 3.4Å; K95-L99 PolarHBondContact O-N 2.88Å
96	P	98.1	Very high	97.8	Very high	15 Å²	15	69 Å²	69	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-54.1	-36.2	176.9	-28.9	38.5	0	0	0	113.3	L91 G98 L99 H100 P141 P151 C152	L91-P96 HydrophobicContact CD1-CG 4.05Å; P96-G98 PolarHBondContact O-N 3.42Å; P96-L99 PolarHBondContact O-N 2.91Å; P96-H100 PolarHBondContact O-N 3.09Å; P96-H100 VanDerWaalsContact O-N 3.15Å; P96-P141 VanDerWaalsContact C-CG 3.4Å; P96-P141 HydrophobicContact CB-CB 3.96Å; P96-P141 HydrophobicContact CB-CG 3.63Å; P96-P151 HydrophobicContact CB-CB 4.18Å; P96-P151 HydrophobicContact CG-CB 4.36Å; P96-P151 HydrophobicContact CG-CG 4.25Å; P96-C152 HydrophobicContact CB-CB 4.01Å
97	E	97.9	Very high	97.8	Very high	95 Å²	95	75.7 Å²	75.7	44%	0.444	39%	0.391	S	S	.	.	H	α-helix	trans	-64.9	-43.1	-179.8	-59.4	73.3	-165.3	0	0	111.2	K95 H100 K101 P141	K95-E97 WeakPolarHBondContact CB-OE2 3.47Å; K95-E97 PolarHBondContact O-N 3.45Å; E97-H100 PolarHBondContact O-N 3.36Å; E97-K101 WeakPolarHBondContact O-CG 3.14Å; E97-K101 PolarHBondContact O-N 3.15Å; E97-P141 HydrophobicContact CB-CG 4.33Å; E97-P141 HydrophobicContact CG-CG 3.96Å
98	G	98.3	Very high	97.9	Very high	14 Å²	14	78.4 Å²	78.4	14%	0.144	41%	0.406	C	S	.	.	H	α-helix	trans	-73.7	-29	178.5	0	0	0	0	0	112.8	L94 K95 P96 K101 L102	L94-G98 WeakPolarHBondContact O-CA 3.31Å; L94-G98 PolarHBondContact O-N 3.44Å; K95-G98 PolarHBondContact O-N 2.63Å; P96-G98 PolarHBondContact O-N 3.42Å; G98-K101 PolarHBondContact O-N 3.3Å; G98-L102 WeakPolarHBondContact O-CB 3.48Å; G98-L102 PolarHBondContact O-N 3.48Å
99	L	98.5	Very high	98.1	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-44.3	171.3	-70.7	176.7	0	0	0	111.5	F76 I87 F90 L91 L94 K95 P96 L102 W149	F76-L99 HydrophobicContact CZ-CB 4.3Å; F76-L99 HydrophobicContact CZ-CD2 4.32Å; I87-L99 HydrophobicContact CD1-CD1 3.85Å; I87-L99 HydrophobicContact CD1-CD2 3.91Å; F90-L99 HydrophobicContact CB-CD2 3.83Å; L91-L99 HydrophobicContact CB-CD1 4.32Å; L91-L99 HydrophobicContact CD1-CD1 3.83Å; L94-L99 HydrophobicContact CD1-CD2 4.38Å; K95-L99 WeakPolarHBondContact O-CG 3.4Å; K95-L99 PolarHBondContact O-N 2.88Å; P96-L99 PolarHBondContact O-N 2.91Å; L99-L102 VanDerWaalsContact O-CB 3.32Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-W149 HydrophobicContact CD1-CB 3.86Å
100	H	98.5	Very high	98.2	Very high	51 Å²	51	70.3 Å²	70.3	24%	0.236	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-46.5	173	171.3	-111.1	0	0	0	111.9	P96 E97 L102 L103 I138 E140	P96-H100 PolarHBondContact O-N 3.09Å; P96-H100 VanDerWaalsContact O-N 3.15Å; E97-H100 PolarHBondContact O-N 3.36Å; H100-L102 PolarHBondContact O-N 3.37Å; H100-L103 PolarHBondContact O-N 3.49Å; H100-L103 VanDerWaalsContact O-N 3.1Å; H100-I138 HydrophobicContact CB-CG2 4.16Å; H100-E140 PolarHBondContact CD2-N 3.25Å
101	K	98.6	Very high	98.2	Very high	149 Å²	149	66.9 Å²	66.9	65%	0.648	36%	0.364	S	S	*	.	H	α-helix	trans	-63	-26.8	177.9	-73	174.3	-179.1	176.9	0	113.4	E97 G98 L103 A104	E97-K101 WeakPolarHBondContact O-CG 3.14Å; E97-K101 PolarHBondContact O-N 3.15Å; G98-K101 PolarHBondContact O-N 3.3Å; K101-L103 PolarHBondContact O-N 3.11Å; K101-L103 VanDerWaalsContact O-N 3.15Å; K101-A104 WeakPolarHBondContact O-CB 3.34Å; K101-A104 PolarHBondContact O-N 2.65Å
102	L	98.5	Very high	98.3	Very high	64 Å²	64	67.5 Å²	67.5	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-27.5	175.7	-169.5	64.6	0	0	0	112	F76 L79 F90 L94 G98 L99 H100	F76-L102 HydrophobicContact CE2-CD2 4.19Å; L79-L102 HydrophobicContact CD1-CD2 3.98Å; L79-L102 HydrophobicContact CD1-CG 4.28Å; F90-L102 HydrophobicContact CD1-CD2 3.85Å; F90-L102 HydrophobicContact CE1-CD2 3.88Å; L94-L102 HydrophobicContact CD1-CD1 4.47Å; L94-L102 HydrophobicContact CD1-CD2 4.28Å; G98-L102 WeakPolarHBondContact O-CB 3.48Å; G98-L102 PolarHBondContact O-N 3.48Å; L99-L102 VanDerWaalsContact O-CB 3.32Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.41Å; H100-L102 PolarHBondContact O-N 3.37Å
103	L	98.7	Very high	98.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.5	177.9	-66.5	177.7	0	0	0	113.8	F76 A78 L79 H100 K101 G105 F106 K109 I138	F76-L103 HydrophobicContact CB-CD1 4.26Å; F76-L103 HydrophobicContact CB-CD2 4.06Å; F76-L103 HydrophobicContact CD2-CD1 3.77Å; F76-L103 HydrophobicContact CD2-CD2 3.73Å; F76-L103 HydrophobicContact CD2-CG 3.75Å; F76-L103 HydrophobicContact CE2-CD1 4.22Å; F76-L103 HydrophobicContact CE2-CG 4.19Å; F76-L103 HydrophobicContact CG-CD1 4Å; F76-L103 HydrophobicContact CG-CD2 4.26Å; F76-L103 HydrophobicContact CG-CG 4.4Å; A78-L103 HydrophobicContact CB-CD2 4.1Å; L79-L103 HydrophobicContact CD1-CD2 4.13Å; L79-L103 HydrophobicContact CD2-CD2 4.33Å; L79-L103 HydrophobicContact CG-CD2 3.89Å; H100-L103 PolarHBondContact O-N 3.49Å; H100-L103 VanDerWaalsContact O-N 3.1Å; K101-L103 PolarHBondContact O-N 3.11Å; K101-L103 VanDerWaalsContact O-N 3.15Å; L103-G105 PolarHBondContact O-N 3.04Å; L103-G105 VanDerWaalsContact O-N 3.08Å; L103-F106 HydrophobicContact CD2-CD2 4.21Å; L103-F106 PolarHBondContact O-N 3.33Å; L103-K109 HydrophobicContact CB-CD 4.11Å; L103-K109 PolarHBondContact O-NZ 3.46Å; L103-I138 HydrophobicContact CD1-CB 3.77Å; L103-I138 HydrophobicContact CD1-CG1 3.84Å; L103-I138 HydrophobicContact CD1-CG2 4.17Å
104	A	98.2	Very high	98.4	Very high	79 Å²	79	58.6 Å²	58.6	65%	0.653	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.1	-173.1	0	0	0	0	0	114.1	K101 F106	K101-A104 WeakPolarHBondContact O-CB 3.34Å; K101-A104 PolarHBondContact O-N 2.65Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 2.8Å
105	G	98.3	Very high	98.4	Very high	76 Å²	76	55.5 Å²	55.5	78%	0.784	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2	178.6	0	0	0	0	0	115.9	L103	L103-G105 PolarHBondContact O-N 3.04Å; L103-G105 VanDerWaalsContact O-N 3.08Å
106	F	98.6	Very high	98.4	Very high	88 Å²	88	50 Å²	50	39%	0.386	27%	0.274	S	S	.	.			trans	-117.2	134.8	-177.8	-61.3	-90.4	0	0	0	110.4	A78 L79 L103 A104 K109	A78-F106 HydrophobicContact CB-CB 3.77Å; A78-F106 HydrophobicContact CB-CD1 3.69Å; A78-F106 HydrophobicContact CB-CE1 4.41Å; A78-F106 HydrophobicContact CB-CG 3.74Å; L79-F106 HydrophobicContact CD2-CD2 4.26Å; L79-F106 HydrophobicContact CD2-CE1 4.26Å; L79-F106 HydrophobicContact CD2-CE2 3.52Å; L79-F106 HydrophobicContact CD2-CZ 3.52Å; L103-F106 HydrophobicContact CD2-CD2 4.21Å; L103-F106 PolarHBondContact O-N 3.33Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 2.8Å; F106-K109 VanDerWaalsContact O-CE 3.23Å; F106-K109 WeakPolarHBondContact O-CE 3.37Å; F106-K109 PolarHBondContact O-NZ 2.86Å
107	E	98.2	Very high	98.4	Very high	199 Å²	199	49.2 Å²	49.2	93%	0.93	27%	0.269	S	S	*	.	S	Bend	trans	-70.1	-40.4	173.1	-65.3	-177.3	174	0	0	111.2	K109	E107-K109 PolarHBondContact O-N 3.37Å
108	D	98.6	Very high	98.4	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	25%	0.248	S	C	.	.			trans	-71.8	116.2	178.2	-177.4	13	0	0	0	111.3	R77 A78 S110	R77-D108 WeakPolarHBondContact CB-OD2 3.4Å; R77-D108 WeakPolarHBondContact CG-OD2 3.43Å; A78-D108 HydrophobicContact CB-CB 4.29Å; A78-D108 WeakPolarHBondContact CB-O 3.42Å; D108-S110 WeakPolarHBondContact OD1-CA 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.16Å; D108-S110 PolarHBondContact OD1-N 3.26Å; D108-S110 PolarHBondContact OD1-OG 3.04Å; D108-S110 PolarHBondContact OD2-OG 3.32Å
109	K	98.6	Very high	98.4	Very high	58 Å²	58	44.1 Å²	44.1	25%	0.252	24%	0.241	S	C	.	.			trans	-104.3	2.3	174.7	-50.6	-54.4	-176.9	-175.7	0	112.9	L103 F106 E107 M137 I138	L103-K109 HydrophobicContact CB-CD 4.11Å; L103-K109 PolarHBondContact O-NZ 3.46Å; F106-K109 VanDerWaalsContact O-CE 3.23Å; F106-K109 WeakPolarHBondContact O-CE 3.37Å; F106-K109 PolarHBondContact O-NZ 2.86Å; E107-K109 PolarHBondContact O-N 3.37Å; K109-M137 CarbonylContact O-C 3.45Å; K109-M137 VanDerWaalsContact O-CA 3.31Å; K109-M137 WeakPolarHBondContact O-CA 3.33Å; K109-I138 PolarHBondContact O-N 3.17Å
110	S	98.8	Very high	98.3	Very high	32 Å²	32	44.1 Å²	44.1	22%	0.224	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.8	-177.9	70.8	0	0	0	0	111.2	R77 D108 G136	R77-S110 WeakPolarHBondContact CB-O 3.43Å; R77-S110 VanDerWaalsContact CB-OG 3.29Å; R77-S110 WeakPolarHBondContact CB-OG 3.18Å; R77-S110 WeakPolarHBondContact CD-OG 3.45Å; R77-S110 PolarHBondContact N-O 3.21Å; R77-S110 PolarHBondContact NE-OG 3.23Å; R77-S110 VanDerWaalsContact NE-OG 3.13Å; D108-S110 WeakPolarHBondContact OD1-CA 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.16Å; D108-S110 PolarHBondContact OD1-N 3.26Å; D108-S110 PolarHBondContact OD1-OG 3.04Å; D108-S110 PolarHBondContact OD2-OG 3.32Å; S110-G136 WeakPolarHBondContact CA-O 3.48Å
111	A	98.8	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.5	-177.2	0	0	0	0	0	110.1	C75 F76 G136 I138 F153	C75-A111 CarbonylContact O-C 3.52Å; C75-A111 WeakPolarHBondContact O-CA 3.32Å; C75-A111 WeakPolarHBondContact O-CB 3.2Å; F76-A111 HydrophobicContact CD1-CB 3.97Å; A111-G136 PolarHBondContact N-O 2.98Å; A111-G136 CarbonylContact O-C 3.56Å; A111-G136 PolarHBondContact O-N 2.93Å; A111-I138 HydrophobicContact CB-CD1 3.71Å; A111-I138 HydrophobicContact CB-CG1 3.7Å; A111-F153 HydrophobicContact CB-CE2 4.34Å
112	W	98.8	Very high	97.8	Very high	44 Å²	44	37 Å²	37	17%	0.167	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.1	167	65.3	93.6	0	0	0	110.9	C75 R77 K133 I134	C75-W112 HydrophobicContact CB-CD2 3.52Å; C75-W112 HydrophobicContact CB-CE3 4.03Å; C75-W112 HydrophobicContact CB-CG 4.01Å; C75-W112 HydrophobicContact CB-CH2 3.84Å; C75-W112 HydrophobicContact CB-CZ2 3.32Å; C75-W112 HydrophobicContact CB-CZ3 4.17Å; C75-W112 PolarHBondContact N-O 3.4Å; C75-W112 PolarHBondContact O-N 3.15Å; R77-W112 HydrophobicContact CB-CZ3 4.15Å; W112-K133 HydrophobicContact CB-CD 4.45Å; W112-K133 VanDerWaalsContact CB-CE 3.5Å; W112-K133 HydrophobicContact CB-CG 4.12Å; W112-K133 HydrophobicContact CG-CD 4.26Å; W112-K133 HydrophobicContact CG-CG 4.26Å; W112-I134 CarbonylContact C-O 3.51Å; W112-I134 WeakPolarHBondContact CA-O 3.28Å; W112-I134 VanDerWaalsContact CB-O 3.31Å; W112-I134 WeakPolarHBondContact CB-O 3.41Å
113	A	98.4	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	164.3	0	0	0	0	0	109.3	C73 L74 K133 I134 W149 F153 H175	C73-A113 WeakPolarHBondContact O-CA 3.43Å; L74-A113 HydrophobicContact CD1-CB 4.17Å; A113-K133 WeakPolarHBondContact O-CA 3.48Å; A113-I134 HydrophobicContact CB-CG2 3.88Å; A113-I134 PolarHBondContact N-O 3.08Å; A113-I134 PolarHBondContact O-N 2.94Å; A113-W149 HydrophobicContact CB-CH2 3.41Å; A113-W149 VanDerWaalsContact CB-CH2 3.41Å; A113-W149 HydrophobicContact CB-CZ2 4.12Å; A113-W149 HydrophobicContact CB-CZ3 4.13Å; A113-F153 HydrophobicContact CB-CE1 4.4Å; A113-F153 HydrophobicContact CB-CZ 4.29Å; A113-H175 HydrophobicContact CB-CB 4.27Å; A113-H175 WeakPolarHBondContact O-CB 3.44Å
114	L	98.4	Very high	96.7	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.4	179.5	171.4	69.4	0	0	0	108.6	P48 T72 C73 R131 G132 K133	P48-L114 HydrophobicContact CB-CD2 3.98Å; P48-L114 HydrophobicContact CG-CD2 4.27Å; T72-L114 CarbonylContact C-O 3.49Å; T72-L114 WeakPolarHBondContact CA-O 3.47Å; C73-L114 HydrophobicContact CB-CB 4.18Å; C73-L114 PolarHBondContact N-O 3.32Å; C73-L114 PolarHBondContact O-N 3.22Å; L114-R131 HydrophobicContact CD1-CB 4.2Å; L114-R131 HydrophobicContact CD1-CG 4.43Å; L114-G132 WeakPolarHBondContact CA-O 3.3Å; L114-K133 HydrophobicContact CD1-CB 4.43Å
115	C	97.3	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	166	-173.8	0	0	0	0	108.5	F117 R131 G132 H175 R176 A179	C115-F117 VanDerWaalsContact SG-CE2 3.52Å; C115-R131 VanDerWaalsContact O-CA 3.31Å; C115-R131 WeakPolarHBondContact O-CA 3.26Å; C115-G132 PolarHBondContact N-O 2.94Å; C115-G132 PolarHBondContact O-N 3.37Å; C115-H175 HydrophobicContact CB-CB 4.35Å; C115-H175 WeakPolarHBondContact CB-O 3.48Å; C115-R176 HydrophobicContact CB-CB 4.45Å; C115-A179 HydrophobicContact CB-CB 4.05Å
116	T	98.3	Very high	96.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.9	171.7	-57.3	0	0	0	0	108.7	E70 D71 L129 F130 R131	E70-T116 WeakPolarHBondContact CA-O 3.45Å; D71-T116 PolarHBondContact N-O 3.21Å; D71-T116 PolarHBondContact O-N 3.46Å; T116-L129 HydrophobicContact CG2-CB 4.4Å; T116-L129 HydrophobicContact CG2-CD2 4.06Å; T116-F130 CarbonylContact C-O 3.47Å; T116-F130 WeakPolarHBondContact CA-O 3.34Å; T116-R131 HydrophobicContact CG2-CG 4.28Å
117	F	98	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.7	162.9	-81.5	-94.2	0	0	0	109.1	F11 V22 M68 V69 E70 C115 L129 F130 R176 A179 L180 M183	F11-F117 HydrophobicContact CE2-CE1 4.12Å; F11-F117 HydrophobicContact CZ-CE1 4.25Å; V22-F117 HydrophobicContact CG2-CE1 4.01Å; V22-F117 HydrophobicContact CG2-CZ 3.8Å; M68-F117 HydrophobicContact SD-CD1 4.28Å; M68-F117 HydrophobicContact SD-CE1 4.39Å; V69-F117 WeakPolarHBondContact O-CA 3.34Å; E70-F117 HydrophobicContact CB-CD1 4.21Å; E70-F117 HydrophobicContact CB-CE1 3.83Å; E70-F117 HydrophobicContact CB-CZ 3.99Å; E70-F117 HydrophobicContact CG-CD2 4.45Å; E70-F117 HydrophobicContact CG-CE1 4.13Å; E70-F117 HydrophobicContact CG-CE2 3.94Å; E70-F117 HydrophobicContact CG-CZ 3.75Å; C115-F117 VanDerWaalsContact SG-CE2 3.52Å; F117-L129 WeakPolarHBondContact O-CA 3.1Å; F117-F130 HydrophobicContact CB-CB 4.36Å; F117-F130 PolarHBondContact N-O 3.41Å; F117-F130 PolarHBondContact O-N 3.44Å; F117-R176 HydrophobicContact CE2-CG 4.11Å; F117-R176 HydrophobicContact CZ-CG 4.45Å; F117-A179 HydrophobicContact CD2-CB 3.8Å; F117-A179 HydrophobicContact CE2-CB 4.36Å; F117-L180 HydrophobicContact CD1-CD2 4.15Å; F117-L180 HydrophobicContact CD2-CD2 4.02Å; F117-L180 HydrophobicContact CD2-CG 4.14Å; F117-L180 HydrophobicContact CE1-CD2 3.8Å; F117-L180 HydrophobicContact CE2-CD1 4.17Å; F117-L180 HydrophobicContact CE2-CD2 3.65Å; F117-L180 HydrophobicContact CE2-CG 3.58Å; F117-L180 HydrophobicContact CG-CD2 4.26Å; F117-L180 HydrophobicContact CZ-CD1 4.13Å; F117-L180 HydrophobicContact CZ-CD2 3.55Å; F117-L180 HydrophobicContact CZ-CG 3.85Å; F117-M183 HydrophobicContact CB-CE 3.6Å; F117-M183 HydrophobicContact CD1-CE 4.37Å; F117-M183 HydrophobicContact CG-CE 4.26Å
118	A	98.1	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	172.7	0	0	0	0	0	109.4	C56 M68 V69 V127 Q128 L129	C56-A118 HydrophobicContact CB-CB 3.63Å; C56-A118 VanDerWaalsContact SG-C 3.58Å; C56-A118 PolarHBondContact SG-O 2.95Å; M68-A118 CarbonylContact C-O 3.53Å; M68-A118 WeakPolarHBondContact CA-O 3.49Å; V69-A118 HydrophobicContact CG2-CB 3.76Å; V69-A118 PolarHBondContact N-O 3.02Å; V69-A118 PolarHBondContact O-N 3.18Å; A118-V127 HydrophobicContact CB-CG1 3.81Å; A118-Q128 WeakPolarHBondContact CA-O 3.18Å; A118-L129 HydrophobicContact CB-CD2 3.41Å; A118-L129 VanDerWaalsContact CB-CD2 3.41Å
119	F	98	Very high	96.3	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.5	178.4	171.5	-93	0	0	0	110.6	V9 Y32 P66 V67 A121 V127 Q128 F130 M183 F187	V9-F119 HydrophobicContact CG2-CD2 4.09Å; V9-F119 HydrophobicContact CG2-CE2 3.81Å; Y32-F119 HydrophobicContact CD2-CE2 4.34Å; Y32-F119 AromaticContact CE2-CE2 3.99Å; Y32-F119 HydrophobicContact CE2-CE2 3.99Å; Y32-F119 AromaticContact CE2-CZ 3.72Å; Y32-F119 HydrophobicContact CE2-CZ 3.72Å; Y32-F119 AromaticContact CZ-CZ 3.74Å; P66-F119 HydrophobicContact CB-CE2 4.48Å; V67-F119 WeakPolarHBondContact O-CA 3.3Å; F119-A121 HydrophobicContact CE1-CB 4.01Å; F119-A121 HydrophobicContact CZ-CB 4.18Å; F119-V127 CarbonylContact O-C 3.59Å; F119-V127 WeakPolarHBondContact O-CA 3.2Å; F119-Q128 PolarHBondContact N-O 3.26Å; F119-Q128 PolarHBondContact O-N 2.96Å; F119-F130 HydrophobicContact CB-CE2 3.99Å; F119-M183 HydrophobicContact CB-CE 4.08Å; F119-F187 AromaticContact CD1-CZ 3.78Å; F119-F187 HydrophobicContact CD1-CZ 3.78Å; F119-F187 HydrophobicContact CD2-CZ 4.38Å; F119-F187 HydrophobicContact CE1-CE1 4.28Å; F119-F187 AromaticContact CE1-CZ 3.67Å; F119-F187 HydrophobicContact CE1-CZ 3.67Å; F119-F187 HydrophobicContact CE2-CZ 4.27Å; F119-F187 HydrophobicContact CG-CZ 4.14Å; F119-F187 HydrophobicContact CZ-CE1 4.45Å; F119-F187 AromaticContact CZ-CZ 3.93Å; F119-F187 HydrophobicContact CZ-CZ 3.93Å
120	C	96.9	Very high	96.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.4	174.5	-175.3	0	0	0	0	108.7	C56 A60 P66 V67 G122 E125 V127	C56-C120 VanDerWaalsContact SG-CB 3.55Å; A60-C120 HydrophobicContact CB-CB 4.25Å; P66-C120 CarbonylContact C-O 3.57Å; P66-C120 VanDerWaalsContact CA-O 3.29Å; P66-C120 WeakPolarHBondContact CA-O 3.29Å; V67-C120 HydrophobicContact CG1-CB 4Å; V67-C120 PolarHBondContact N-O 2.98Å; V67-C120 PolarHBondContact O-N 3.22Å; C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.26Å; C120-G122 PolarHBondContact SG-O 3.15Å; C120-E125 PolarHBondContact SG-O 3.1Å; C120-E125 VanDerWaalsContact SG-O 3.38Å; C120-V127 HydrophobicContact CB-CG2 4.26Å
121	A	94.3	Very high	96.3	Very high	36 Å²	36	38.8 Å²	38.8	30%	0.298	20%	0.198	S	C	.	.	S	Bend	trans	-76.3	-16	-177.9	0	0	0	0	0	113.2	P66 F119 E125	P66-A121 WeakPolarHBondContact CG-O 3.45Å; F119-A121 HydrophobicContact CE1-CB 4.01Å; F119-A121 HydrophobicContact CZ-CB 4.18Å; A121-E125 HydrophobicContact CB-CB 4.15Å; A121-E125 HydrophobicContact CB-CG 4.03Å
122	G	91.1	Very high	96.2	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	20%	0.199	C	C	.	.	S	Bend	trans	170.8	167.3	178.3	0	0	0	0	0	111	C120 D124 E125	C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.26Å; C120-G122 PolarHBondContact SG-O 3.15Å; G122-D124 PolarHBondContact O-N 2.73Å; G122-E125 WeakPolarHBondContact O-CB 3.14Å; G122-E125 PolarHBondContact O-N 3.39Å
123	K	86.3	Confident	96.2	Very high	123 Å²	123	40.9 Å²	40.9	54%	0.535	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-28.9	-170.9	69.4	-173.5	178.2	-165	0	116.1	D64	D64-K123 IonicContact OD1-NZ 2.82Å
124	D	88.8	Confident	96.2	Very high	139 Å²	139	41.7 Å²	41.7	74%	0.743	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	1.1	-177	-58.1	-52.2	0	0	0	112.8	G122	G122-D124 PolarHBondContact O-N 2.73Å
125	E	94.3	Very high	96.2	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	22%	0.221	S	C	.	.	S	Bend	trans	-94.9	148.4	-177.7	-64.9	-69.1	160.8	0	0	111.3	C120 A121 G122	C120-E125 PolarHBondContact SG-O 3.1Å; C120-E125 VanDerWaalsContact SG-O 3.38Å; A121-E125 HydrophobicContact CB-CB 4.15Å; A121-E125 HydrophobicContact CB-CG 4.03Å; G122-E125 WeakPolarHBondContact O-CB 3.14Å; G122-E125 PolarHBondContact O-N 3.39Å
126	P	95.6	Very high	96.2	Very high	90 Å²	90	43.6 Å²	43.6	58%	0.584	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-63.5	145.1	177.3	27.1	-34	0	0	0	111.6
127	V	97.8	Very high	96.3	Very high	27 Å²	27	47.2 Å²	47.2	16%	0.164	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-77.9	130.7	171.6	179	0	0	0	0	109.2	I53 C56 K57 A118 F119 C120 L129	I53-V127 HydrophobicContact CG1-CB 4.38Å; I53-V127 HydrophobicContact CG1-CG1 4.23Å; I53-V127 HydrophobicContact CG2-CB 4.48Å; I53-V127 HydrophobicContact CG2-CG2 4.35Å; C56-V127 HydrophobicContact CB-CG1 3.9Å; C56-V127 HydrophobicContact CB-CG2 4.08Å; K57-V127 HydrophobicContact CG-CG2 3.73Å; A118-V127 HydrophobicContact CB-CG1 3.81Å; F119-V127 CarbonylContact O-C 3.59Å; F119-V127 WeakPolarHBondContact O-CA 3.2Å; C120-V127 HydrophobicContact CB-CG2 4.26Å; V127-L129 HydrophobicContact CG1-CD2 3.85Å
128	Q	98.1	Very high	96.3	Very high	59 Å²	59	47.3 Å²	47.3	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.9	175.2	-58.4	-177	54.2	0	0	109.4	A118 F119 F130 H186	A118-Q128 WeakPolarHBondContact CA-O 3.18Å; F119-Q128 PolarHBondContact N-O 3.26Å; F119-Q128 PolarHBondContact O-N 2.96Å; Q128-F130 HydrophobicContact CB-CE2 3.88Å; Q128-F130 HydrophobicContact CB-CZ 3.97Å; Q128-H186 PolarHBondContact OE1-CE1 3.41Å; Q128-H186 VanDerWaalsContact OE1-CE1 3.26Å; Q128-H186 PolarHBondContact OE1-NE2 3.06Å
129	L	98.4	Very high	96.3	Very high	32 Å²	32	48.1 Å²	48.1	17%	0.168	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.5	-177.9	-60.5	-175.6	0	0	0	110.9	D49 I53 T116 F117 A118 V127	D49-L129 HydrophobicContact CB-CD1 3.85Å; I53-L129 HydrophobicContact CD1-CD1 3.92Å; I53-L129 HydrophobicContact CG1-CD1 3.87Å; I53-L129 HydrophobicContact CG1-CD2 4.09Å; I53-L129 HydrophobicContact CG1-CG 4.22Å; T116-L129 HydrophobicContact CG2-CB 4.4Å; T116-L129 HydrophobicContact CG2-CD2 4.06Å; F117-L129 WeakPolarHBondContact O-CA 3.1Å; A118-L129 HydrophobicContact CB-CD2 3.41Å; A118-L129 VanDerWaalsContact CB-CD2 3.41Å; V127-L129 HydrophobicContact CG1-CD2 3.85Å
130	F	98.3	Very high	96.3	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.066	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.2	175.6	-54.2	-80.9	0	0	0	108.4	T116 F117 F119 Q128 M183 H186 F187	T116-F130 CarbonylContact C-O 3.47Å; T116-F130 WeakPolarHBondContact CA-O 3.34Å; F117-F130 HydrophobicContact CB-CB 4.36Å; F117-F130 PolarHBondContact N-O 3.41Å; F117-F130 PolarHBondContact O-N 3.44Å; F119-F130 HydrophobicContact CB-CE2 3.99Å; Q128-F130 HydrophobicContact CB-CE2 3.88Å; Q128-F130 HydrophobicContact CB-CZ 3.97Å; F130-M183 HydrophobicContact CB-CB 4.09Å; F130-M183 VanDerWaalsContact CD1-CA 3.49Å; F130-M183 HydrophobicContact CD1-CB 3.99Å; F130-M183 HydrophobicContact CD2-CB 3.96Å; F130-M183 HydrophobicContact CD2-CE 3.33Å; F130-M183 HydrophobicContact CD2-CG 3.98Å; F130-M183 HydrophobicContact CE1-CB 4.44Å; F130-M183 HydrophobicContact CE2-CB 4.39Å; F130-M183 HydrophobicContact CE2-CE 3.72Å; F130-M183 HydrophobicContact CE2-CG 4.01Å; F130-M183 HydrophobicContact CG-CB 3.72Å; F130-M183 HydrophobicContact CG-CE 4.19Å; F130-M183 HydrophobicContact CG-CG 4.24Å; F130-M183 HydrophobicContact CZ-CG 4.35Å; F130-H186 HydrophobicContact CD1-CB 4.41Å; F130-H186 HydrophobicContact CE1-CB 3.52Å; F130-H186 AromaticContact CE1-CD2 3.94Å; F130-H186 AromaticContact CE1-CG 3.57Å; F130-H186 HydrophobicContact CZ-CB 4.21Å; F130-H186 AromaticContact CZ-CD2 3.79Å; F130-H186 AromaticContact CZ-CG 3.91Å; F130-F187 HydrophobicContact CE2-CE2 4.44Å; F130-F187 HydrophobicContact CZ-CE2 4.24Å
131	R	98.1	Very high	96.4	Very high	104 Å²	104	56.1 Å²	56.1	39%	0.392	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.1	-172.5	-64.2	173.4	-164	74.9	-2	110.4	D49 L114 C115 T116	D49-R131 IonicContact OD1-CZ 3.25Å; D49-R131 IonicContact OD1-NE 2.72Å; D49-R131 PolarHBondContact OD1-NE 2.87Å; D49-R131 IonicContact OD1-NH2 2.9Å; D49-R131 PolarHBondContact OD1-NH2 2.82Å; D49-R131 IonicContact OD2-CZ 2.82Å; D49-R131 IonicContact OD2-NE 2.75Å; D49-R131 PolarHBondContact OD2-NE 2.63Å; D49-R131 IonicContact OD2-NH2 2.72Å; D49-R131 PolarHBondContact OD2-NH2 3.34Å; L114-R131 HydrophobicContact CD1-CB 4.2Å; L114-R131 HydrophobicContact CD1-CG 4.43Å; C115-R131 VanDerWaalsContact O-CA 3.31Å; C115-R131 WeakPolarHBondContact O-CA 3.26Å; T116-R131 HydrophobicContact CG2-CG 4.28Å
132	G	97.9	Very high	96.6	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.4	167.1	0	0	0	0	0	108.8	L114 C115 H175	L114-G132 WeakPolarHBondContact CA-O 3.3Å; C115-G132 PolarHBondContact N-O 2.94Å; C115-G132 PolarHBondContact O-N 3.37Å; G132-H175 CarbonylContact C-O 3.59Å; G132-H175 VanDerWaalsContact CA-O 3.26Å; G132-H175 WeakPolarHBondContact CA-O 3.31Å
133	K	97.8	Very high	96.8	Very high	86 Å²	86	59.4 Å²	59.4	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.4	-171.5	-179.6	-176.3	169.7	-168.8	0	109.2	W112 A113 L114 E135 Q178	W112-K133 HydrophobicContact CB-CD 4.45Å; W112-K133 VanDerWaalsContact CB-CE 3.5Å; W112-K133 HydrophobicContact CB-CG 4.12Å; W112-K133 HydrophobicContact CG-CD 4.26Å; W112-K133 HydrophobicContact CG-CG 4.26Å; A113-K133 WeakPolarHBondContact O-CA 3.48Å; L114-K133 HydrophobicContact CD1-CB 4.43Å; K133-E135 WeakPolarHBondContact CE-OE1 3.32Å; K133-E135 IonicContact NZ-OE1 3.48Å; K133-E135 PolarHBondContact NZ-OE1 3.5Å; K133-Q178 PolarHBondContact O-NE2 2.89Å; K133-Q178 PolarHBondContact O-OE1 3.2Å
134	I	98	Very high	97.2	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.3	173.7	-164.6	167.4	0	0	0	110	W112 A113 F153 P155 Y162 M173 H175	W112-I134 CarbonylContact C-O 3.51Å; W112-I134 WeakPolarHBondContact CA-O 3.28Å; W112-I134 VanDerWaalsContact CB-O 3.31Å; W112-I134 WeakPolarHBondContact CB-O 3.41Å; A113-I134 HydrophobicContact CB-CG2 3.88Å; A113-I134 PolarHBondContact N-O 3.08Å; A113-I134 PolarHBondContact O-N 2.94Å; I134-F153 HydrophobicContact CG2-CE1 3.9Å; I134-F153 HydrophobicContact CG2-CZ 3.98Å; I134-P155 HydrophobicContact CD1-CB 3.83Å; I134-P155 HydrophobicContact CG1-CB 4.29Å; I134-Y162 HydrophobicContact CD1-CE1 4.42Å; I134-Y162 VanDerWaalsContact CD1-OH 3.29Å; I134-Y162 WeakPolarHBondContact CD1-OH 3.09Å; I134-Y162 WeakPolarHBondContact CG2-OH 3.35Å; I134-M173 HydrophobicContact CD1-CE 3.29Å; I134-M173 HydrophobicContact CD1-SD 3.32Å; I134-M173 WeakPolarHBondContact CD1-SD 3.26Å; I134-H175 HydrophobicContact CB-CB 4.43Å; I134-H175 HydrophobicContact CG2-CB 3.87Å
135	E	98.6	Very high	96.9	Very high	58 Å²	58	55.6 Å²	55.6	27%	0.271	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	156.3	174.7	-61	-75.5	178.8	0	0	109.6	R77 K133 D156	R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.16Å; R77-E135 IonicContact NH2-OE2 2.56Å; R77-E135 PolarHBondContact NH2-OE2 2.99Å; K133-E135 WeakPolarHBondContact CE-OE1 3.32Å; K133-E135 IonicContact NZ-OE1 3.48Å; K133-E135 PolarHBondContact NZ-OE1 3.5Å; E135-D156 WeakPolarHBondContact CB-OD2 3.2Å; E135-D156 PolarHBondContact O-N 2.66Å
136	G	98.5	Very high	96.2	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-158.2	-177.5	0	0	0	0	0	111.3	S110 A111 E154 D156	S110-G136 WeakPolarHBondContact CA-O 3.48Å; A111-G136 PolarHBondContact N-O 2.98Å; A111-G136 CarbonylContact O-C 3.56Å; A111-G136 PolarHBondContact O-N 2.93Å; G136-E154 CarbonylContact C-O 3.58Å; G136-E154 WeakPolarHBondContact CA-O 3.49Å; G136-D156 WeakPolarHBondContact CA-OD1 3.39Å
137	M	98.6	Very high	95.4	Very high	77 Å²	77	58 Å²	58	38%	0.379	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.1	177.5	56.4	172.6	57.5	0	0	112.8	K109 V139 E154	K109-M137 CarbonylContact O-C 3.45Å; K109-M137 VanDerWaalsContact O-CA 3.31Å; K109-M137 WeakPolarHBondContact O-CA 3.33Å; M137-V139 HydrophobicContact CG-CG1 3.83Å; M137-V139 HydrophobicContact SD-CG1 3.97Å; M137-E154 HydrophobicContact CG-CB 4.08Å; M137-E154 PolarHBondContact N-O 3.37Å; M137-E154 PolarHBondContact O-N 3.48Å
138	I	98.8	Very high	94.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.6	172.4	-53.4	-56.4	0	0	0	109.4	L74 F76 H100 L103 K109 A111 C152 F153	L74-I138 HydrophobicContact CD1-CD1 4.36Å; L74-I138 HydrophobicContact CD2-CD1 4.1Å; L74-I138 HydrophobicContact CG-CD1 4.42Å; F76-I138 HydrophobicContact CD1-CD1 3.81Å; F76-I138 HydrophobicContact CD1-CG1 3.59Å; F76-I138 HydrophobicContact CE1-CD1 3.31Å; F76-I138 HydrophobicContact CE1-CG1 3.44Å; F76-I138 VanDerWaalsContact CE1-CG1 3.44Å; F76-I138 HydrophobicContact CG-CG1 4.28Å; F76-I138 HydrophobicContact CZ-CD1 4.04Å; F76-I138 HydrophobicContact CZ-CG1 3.97Å; H100-I138 HydrophobicContact CB-CG2 4.16Å; L103-I138 HydrophobicContact CD1-CB 3.77Å; L103-I138 HydrophobicContact CD1-CG1 3.84Å; L103-I138 HydrophobicContact CD1-CG2 4.17Å; K109-I138 PolarHBondContact O-N 3.17Å; A111-I138 HydrophobicContact CB-CD1 3.71Å; A111-I138 HydrophobicContact CB-CG1 3.7Å; I138-C152 VanDerWaalsContact CA-O 3.27Å; I138-C152 WeakPolarHBondContact CA-O 3.45Å; I138-F153 HydrophobicContact CD1-CD2 4.08Å
139	V	98.7	Very high	94.9	Very high	16 Å²	16	57 Å²	57	10%	0.097	30%	0.3	C	S	.	.			trans	-125.6	164.7	-174.2	-62.2	0	0	0	0	110.7	M137 R142 C152 E154 T161	M137-V139 HydrophobicContact CG-CG1 3.83Å; M137-V139 HydrophobicContact SD-CG1 3.97Å; V139-R142 VanDerWaalsContact CG2-NH1 3.32Å; V139-C152 PolarHBondContact N-O 3.43Å; V139-E154 HydrophobicContact CG1-CB 3.96Å; V139-E154 HydrophobicContact CG2-CB 4.09Å; V139-T161 HydrophobicContact CG2-CG2 3.64Å
140	E	98.2	Very high	94.8	Very high	140 Å²	140	56.1 Å²	56.1	65%	0.654	30%	0.296	S	S	*	.	S	Bend	trans	-56.6	132.2	168.3	-171.5	167.2	-165.2	0	0	109.6	H100 R142	H100-E140 PolarHBondContact CD2-N 3.25Å; E140-R142 PolarHBondContact O-N 2.98Å; E140-R142 PolarHBondContact O-NH1 2.94Å
141	P	98.3	Very high	94.8	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.195	29%	0.293	C	S	.	.			trans	-58.1	133.9	-170.8	-28.3	35.4	0	0	0	114.4	P96 E97 P151 C152	P96-P141 VanDerWaalsContact C-CG 3.4Å; P96-P141 HydrophobicContact CB-CB 3.96Å; P96-P141 HydrophobicContact CB-CG 3.63Å; E97-P141 HydrophobicContact CB-CG 4.33Å; E97-P141 HydrophobicContact CG-CG 3.96Å; P141-P151 CarbonylContact C-O 3.58Å; P141-P151 WeakPolarHBondContact CA-O 3.19Å; P141-P151 HydrophobicContact CB-CB 3.94Å; P141-C152 HydrophobicContact CG-CB 4.18Å
142	R	98.2	Very high	94.8	Very high	78 Å²	78	50.6 Å²	50.6	29%	0.294	28%	0.275	S	S	.	.			trans	-136.3	160.6	174.4	-57.7	-178.3	-56.6	-90.8	14.3	111.1	V139 E140 P151 E154 T161 E164	V139-R142 VanDerWaalsContact CG2-NH1 3.32Å; E140-R142 PolarHBondContact O-N 2.98Å; E140-R142 PolarHBondContact O-NH1 2.94Å; R142-P151 PolarHBondContact N-O 2.95Å; R142-P151 VanDerWaalsContact O-CA 3.32Å; R142-P151 WeakPolarHBondContact O-CA 3.18Å; R142-P151 WeakPolarHBondContact O-CB 3.33Å; R142-E154 IonicContact CZ-OE2 3.74Å; R142-E154 IonicContact NH2-OE2 2.62Å; R142-E154 PolarHBondContact NH2-OE2 3.14Å; R142-T161 HydrophobicContact CB-CG2 4.05Å; R142-T161 PolarHBondContact O-OG1 2.8Å; R142-E164 VanDerWaalsContact CB-CD 3.46Å; R142-E164 HydrophobicContact CB-CG 4.22Å; R142-E164 WeakPolarHBondContact CB-OE2 3.34Å; R142-E164 IonicContact CZ-OE2 3.88Å; R142-E164 IonicContact NE-OE1 3.83Å; R142-E164 IonicContact NE-OE2 3.16Å; R142-E164 PolarHBondContact NE-OE2 3.46Å; R142-E164 VanDerWaalsContact NE-OE2 3.16Å; R142-E164 IonicContact NH2-OE2 3.81Å
143	G	96.5	Very high	94.8	Very high	41 Å²	41	50.5 Å²	50.5	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	77.4	-176.5	-178.7	0	0	0	0	0	114.7
144	P	92.8	Very high	94.9	Very high	68 Å²	68	48.1 Å²	48.1	44%	0.442	26%	0.264	S	S	.	.			trans	-67.7	132.5	-175.9	-20.3	34.1	0	0	0	112.6	E146 A163	P144-E146 HydrophobicContact CB-CG 4.04Å; P144-E146 PolarHBondContact O-N 2.81Å; P144-A163 VanDerWaalsContact CD-O 3.25Å; P144-A163 WeakPolarHBondContact CD-O 3.2Å
145	P	83.4	Confident	94.9	Very high	114 Å²	114	47.4 Å²	47.4	74%	0.74	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	30	-177.2	34.8	-37.7	0	0	0	113.5
146	E	79.4	Confident	94.8	Very high	149 Å²	149	49.4 Å²	49.4	70%	0.696	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-27.3	-170.5	-61.4	-170	162.2	0	0	113.2	P144	P144-E146 HydrophobicContact CB-CG 4.04Å; P144-E146 PolarHBondContact O-N 2.81Å
147	F	78.2	Confident	94.7	Very high	102 Å²	102	53.1 Å²	53.1	45%	0.447	31%	0.312	S	S	.	.	S	Bend	trans	-128.5	91.9	-169.8	-71.7	-76.5	0	0	0	113.3	W149 D150	F147-W149 PolarHBondContact O-N 2.65Å; F147-D150 WeakPolarHBondContact CB-OD2 2.98Å; F147-D150 WeakPolarHBondContact O-CB 3.4Å; F147-D150 PolarHBondContact O-N 2.92Å; F147-D150 VanDerWaalsContact O-N 3.08Å
148	G	88.9	Confident	94.6	Very high	43 Å²	43	53.6 Å²	53.6	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-128.6	161.5	0	0	0	0	0	113.5
149	W	96.7	Very high	94.5	Very high	21 Å²	21	59.4 Å²	59.4	8%	0.08	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4.7	178.3	47.8	-102.2	0	0	0	112.6	T72 L74 I87 L91 L99 A113 F147 P151 C152 F153 Y162 H175	T72-W149 HydrophobicContact CG2-CZ2 3.89Å; L74-W149 HydrophobicContact CB-CD2 4.36Å; L74-W149 HydrophobicContact CD1-CD2 4.29Å; L74-W149 HydrophobicContact CD1-CE3 3.91Å; L74-W149 HydrophobicContact CD1-CH2 4.17Å; L74-W149 HydrophobicContact CD1-CZ3 3.85Å; L74-W149 HydrophobicContact CD2-CB 4.01Å; L74-W149 HydrophobicContact CD2-CD2 3.78Å; L74-W149 HydrophobicContact CD2-CE3 3.88Å; L74-W149 HydrophobicContact CD2-CG 3.83Å; L74-W149 HydrophobicContact CG-CD2 4.36Å; L74-W149 HydrophobicContact CG-CE3 4.4Å; I87-W149 VanDerWaalsContact CG1-CD1 3.49Å; I87-W149 HydrophobicContact CG1-CG 4.21Å; L91-W149 HydrophobicContact CD1-CB 4.22Å; L91-W149 HydrophobicContact CD2-CB 4.4Å; L99-W149 HydrophobicContact CD1-CB 3.86Å; A113-W149 HydrophobicContact CB-CH2 3.41Å; A113-W149 VanDerWaalsContact CB-CH2 3.41Å; A113-W149 HydrophobicContact CB-CZ2 4.12Å; A113-W149 HydrophobicContact CB-CZ3 4.13Å; F147-W149 PolarHBondContact O-N 2.65Å; W149-P151 VanDerWaalsContact C-N 3.26Å; W149-P151 VanDerWaalsContact O-N 3.15Å; W149-C152 PolarHBondContact O-N 2.99Å; W149-C152 PolarHBondContact O-SG 3.25Å; W149-F153 HydrophobicContact CE3-CB 3.75Å; W149-F153 HydrophobicContact CE3-CG 4.28Å; W149-F153 HydrophobicContact CZ3-CB 3.73Å; W149-F153 AromaticContact CZ3-CD1 3.87Å; W149-F153 HydrophobicContact CZ3-CD1 3.87Å; W149-F153 AromaticContact CZ3-CG 3.79Å; W149-F153 HydrophobicContact CZ3-CG 3.79Å; W149-Y162 HydrophobicContact CH2-CD2 4.28Å; W149-Y162 HydrophobicContact CH2-CE2 4.21Å; W149-Y162 AromaticContact CZ3-CD2 3.92Å; W149-Y162 HydrophobicContact CZ3-CD2 3.92Å; W149-Y162 HydrophobicContact CZ3-CE2 4.2Å; W149-H175 AromaticContact CH2-CE1 3.57Å; W149-H175 AromaticContact CH2-NE2 3.9Å; W149-H175 AromaticContact CZ2-NE2 3.91Å
150	D	96.6	Very high	94.5	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.07	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-50.2	-38.4	-179.7	-70.3	-15.7	0	0	0	113.8	F147 C152 F153 Y162 A163 K170	F147-D150 WeakPolarHBondContact CB-OD2 2.98Å; F147-D150 WeakPolarHBondContact O-CB 3.4Å; F147-D150 PolarHBondContact O-N 2.92Å; F147-D150 VanDerWaalsContact O-N 3.08Å; D150-C152 PolarHBondContact O-N 3.37Å; D150-F153 PolarHBondContact O-N 2.9Å; D150-Y162 PolarHBondContact O-N 2.86Å; D150-A163 HydrophobicContact CB-CB 4.05Å; D150-A163 PolarHBondContact O-N 3.43Å; D150-K170 IonicContact OD1-NZ 3.02Å; D150-K170 PolarHBondContact OD1-NZ 3.49Å; D150-K170 IonicContact OD2-NZ 2.83Å; D150-K170 PolarHBondContact OD2-NZ 3.48Å
151	P	98.1	Very high	94.5	Very high	3 Å²	3	56 Å²	56	2%	0.019	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62	-26	-179.9	-27.5	37.6	0	0	0	114.7	P96 P141 R142 W149 T161 A163	P96-P151 HydrophobicContact CB-CB 4.18Å; P96-P151 HydrophobicContact CG-CB 4.36Å; P96-P151 HydrophobicContact CG-CG 4.25Å; P141-P151 CarbonylContact C-O 3.58Å; P141-P151 WeakPolarHBondContact CA-O 3.19Å; P141-P151 HydrophobicContact CB-CB 3.94Å; R142-P151 PolarHBondContact N-O 2.95Å; R142-P151 VanDerWaalsContact O-CA 3.32Å; R142-P151 WeakPolarHBondContact O-CA 3.18Å; R142-P151 WeakPolarHBondContact O-CB 3.33Å; W149-P151 VanDerWaalsContact C-N 3.26Å; W149-P151 VanDerWaalsContact O-N 3.15Å; P151-T161 WeakPolarHBondContact O-CG2 3.14Å; P151-A163 HydrophobicContact CB-CB 4.2Å; P151-A163 HydrophobicContact CG-CB 3.84Å
152	C	98.5	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-104.3	10	-176.8	70.3	0	0	0	0	113.6	P96 I138 V139 P141 W149 D150	P96-C152 HydrophobicContact CB-CB 4.01Å; I138-C152 VanDerWaalsContact CA-O 3.27Å; I138-C152 WeakPolarHBondContact CA-O 3.45Å; V139-C152 PolarHBondContact N-O 3.43Å; P141-C152 HydrophobicContact CG-CB 4.18Å; W149-C152 PolarHBondContact O-N 2.99Å; W149-C152 PolarHBondContact O-SG 3.25Å; D150-C152 PolarHBondContact O-N 3.37Å
153	F	98.6	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.9	179	-178.3	-101.2	0	0	0	110.7	L74 A111 A113 I134 I138 W149 D150 P155 T161 Y162	L74-F153 HydrophobicContact CD1-CD2 3.74Å; L74-F153 HydrophobicContact CD1-CE2 4.17Å; L74-F153 HydrophobicContact CD1-CG 4.27Å; A111-F153 HydrophobicContact CB-CE2 4.34Å; A113-F153 HydrophobicContact CB-CE1 4.4Å; A113-F153 HydrophobicContact CB-CZ 4.29Å; I134-F153 HydrophobicContact CG2-CE1 3.9Å; I134-F153 HydrophobicContact CG2-CZ 3.98Å; I138-F153 HydrophobicContact CD1-CD2 4.08Å; W149-F153 HydrophobicContact CE3-CB 3.75Å; W149-F153 HydrophobicContact CE3-CG 4.28Å; W149-F153 HydrophobicContact CZ3-CB 3.73Å; W149-F153 AromaticContact CZ3-CD1 3.87Å; W149-F153 HydrophobicContact CZ3-CD1 3.87Å; W149-F153 AromaticContact CZ3-CG 3.79Å; W149-F153 HydrophobicContact CZ3-CG 3.79Å; D150-F153 PolarHBondContact O-N 2.9Å; F153-P155 HydrophobicContact CE1-CB 4Å; F153-T161 CarbonylContact O-C 3.54Å; F153-T161 VanDerWaalsContact O-CA 3.26Å; F153-T161 WeakPolarHBondContact O-CA 3.27Å; F153-Y162 HydrophobicContact CD1-CD1 4.17Å; F153-Y162 AromaticContact CD1-CD2 3.76Å; F153-Y162 HydrophobicContact CD1-CD2 3.76Å; F153-Y162 HydrophobicContact CD1-CE1 4.25Å; F153-Y162 AromaticContact CD1-CE2 3.79Å; F153-Y162 HydrophobicContact CD1-CE2 3.79Å; F153-Y162 AromaticContact CD1-CG 3.98Å; F153-Y162 HydrophobicContact CD1-CG 3.98Å; F153-Y162 HydrophobicContact CE1-CD2 4.34Å; F153-Y162 HydrophobicContact CE1-CE1 4.15Å; F153-Y162 AromaticContact CE1-CE2 3.91Å; F153-Y162 HydrophobicContact CE1-CE2 3.91Å; F153-Y162 AromaticContact CE1-CZ 3.85Å; F153-Y162 PolarHBondContact O-N 3.04Å
154	E	98.6	Very high	94.4	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.8	173.4	-178.6	176.3	109	0	0	108.6	G136 M137 V139 R142	G136-E154 CarbonylContact C-O 3.58Å; G136-E154 WeakPolarHBondContact CA-O 3.49Å; M137-E154 HydrophobicContact CG-CB 4.08Å; M137-E154 PolarHBondContact N-O 3.37Å; M137-E154 PolarHBondContact O-N 3.48Å; V139-E154 HydrophobicContact CG1-CB 3.96Å; V139-E154 HydrophobicContact CG2-CB 4.09Å; R142-E154 IonicContact CZ-OE2 3.74Å; R142-E154 IonicContact NH2-OE2 2.62Å; R142-E154 PolarHBondContact NH2-OE2 3.14Å
155	P	98.3	Very high	94.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.1	178.4	33	-36.9	0	0	0	111.4	I134 F153 G157 Y158 K160 Y162 L165 M173	I134-P155 HydrophobicContact CD1-CB 3.83Å; I134-P155 HydrophobicContact CG1-CB 4.29Å; F153-P155 HydrophobicContact CE1-CB 4Å; P155-G157 PolarHBondContact O-N 3.44Å; P155-Y158 HydrophobicContact CB-CD2 4.44Å; P155-Y158 HydrophobicContact CG-CD2 3.88Å; P155-Y158 HydrophobicContact CG-CG 4.19Å; P155-Y158 PolarHBondContact O-N 2.94Å; P155-K160 WeakPolarHBondContact CD-O 3.23Å; P155-Y162 HydrophobicContact CB-CD1 4.32Å; P155-Y162 HydrophobicContact CB-CE1 3.74Å; P155-Y162 HydrophobicContact CG-CD1 3.74Å; P155-Y162 HydrophobicContact CG-CE1 3.57Å; P155-L165 HydrophobicContact CG-CD1 4.13Å; P155-M173 HydrophobicContact CB-CE 3.77Å; P155-M173 HydrophobicContact CG-CE 3.81Å
156	D	98.1	Very high	95	Very high	99 Å²	99	48.4 Å²	48.4	53%	0.529	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	139.4	175.6	-73.4	-13.7	0	0	0	111.6	E135 G136 Y158	E135-D156 WeakPolarHBondContact CB-OD2 3.2Å; E135-D156 PolarHBondContact O-N 2.66Å; G136-D156 WeakPolarHBondContact CA-OD1 3.39Å; D156-Y158 WeakPolarHBondContact O-CD2 3.28Å
157	G	96.3	Very high	95.3	Very high	82 Å²	82	46.3 Å²	46.3	85%	0.845	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	4.1	-178.9	0	0	0	0	0	115	P155	P155-G157 PolarHBondContact O-N 3.44Å
158	Y	96.3	Very high	95.8	Very high	86 Å²	86	48.2 Å²	48.2	34%	0.337	27%	0.269	S	S	.	.			trans	-130.3	154.4	176.6	-62.6	-98.2	0	0	0	110.8	P155 D156 L165 V169 M173	P155-Y158 HydrophobicContact CB-CD2 4.44Å; P155-Y158 HydrophobicContact CG-CD2 3.88Å; P155-Y158 HydrophobicContact CG-CG 4.19Å; P155-Y158 PolarHBondContact O-N 2.94Å; D156-Y158 WeakPolarHBondContact O-CD2 3.28Å; Y158-L165 HydrophobicContact CD1-CD1 4.39Å; Y158-L165 HydrophobicContact CD1-CD2 3.62Å; Y158-L165 HydrophobicContact CE1-CD2 4.12Å; Y158-L165 HydrophobicContact CG-CD2 4.32Å; Y158-V169 HydrophobicContact CE1-CG1 3.77Å; Y158-M173 HydrophobicContact CD2-CE 3.67Å; Y158-M173 HydrophobicContact CE2-CE 3.15Å
159	D	96.9	Very high	95.9	Very high	124 Å²	124	48.4 Å²	48.4	66%	0.663	26%	0.262	S	S	*	.	S	Bend	trans	-102.5	19	172.8	65.8	-20	0	0	0	112
160	K	98	Very high	95.6	Very high	86 Å²	86	49.1 Å²	49.1	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	-133.1	138.9	-171.5	-75.7	176.7	-170.4	-62	0	110	P155 E164 L165	P155-K160 WeakPolarHBondContact CD-O 3.23Å; K160-E164 HydrophobicContact CB-CB 3.94Å; K160-E164 HydrophobicContact CD-CB 4.49Å; K160-E164 HydrophobicContact CG-CB 4.15Å; K160-L165 HydrophobicContact CB-CD2 3.78Å; K160-L165 HydrophobicContact CB-CG 4.2Å; K160-L165 HydrophobicContact CD-CD2 4.14Å
161	T	98.3	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.			trans	-66.2	160.8	169.1	61.9	0	0	0	0	110.6	V139 R142 P151 F153 A163 E164 L165	V139-T161 HydrophobicContact CG2-CG2 3.64Å; R142-T161 HydrophobicContact CB-CG2 4.05Å; R142-T161 PolarHBondContact O-OG1 2.8Å; P151-T161 WeakPolarHBondContact O-CG2 3.14Å; F153-T161 CarbonylContact O-C 3.54Å; F153-T161 VanDerWaalsContact O-CA 3.26Å; F153-T161 WeakPolarHBondContact O-CA 3.27Å; T161-A163 PolarHBondContact O-N 3.3Å; T161-A163 VanDerWaalsContact O-N 3.13Å; T161-E164 WeakPolarHBondContact CG2-OE2 3.41Å; T161-E164 PolarHBondContact N-OE2 3.41Å; T161-E164 PolarHBondContact O-N 2.82Å; T161-E164 VanDerWaalsContact OG1-CG 3.29Å; T161-E164 WeakPolarHBondContact OG1-CG 3.31Å; T161-E164 PolarHBondContact OG1-N 3.24Å; T161-E164 PolarHBondContact OG1-OE2 2.96Å; T161-L165 PolarHBondContact O-N 3.32Å; T161-L165 VanDerWaalsContact O-N 3.1Å
162	Y	96.4	Very high	94.7	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.4	172.6	-91.6	4.6	0	0	0	114	I134 W149 D150 F153 P155 L165 K170 M173 S174 H175	I134-Y162 HydrophobicContact CD1-CE1 4.42Å; I134-Y162 VanDerWaalsContact CD1-OH 3.29Å; I134-Y162 WeakPolarHBondContact CD1-OH 3.09Å; I134-Y162 WeakPolarHBondContact CG2-OH 3.35Å; W149-Y162 HydrophobicContact CH2-CD2 4.28Å; W149-Y162 HydrophobicContact CH2-CE2 4.21Å; W149-Y162 AromaticContact CZ3-CD2 3.92Å; W149-Y162 HydrophobicContact CZ3-CD2 3.92Å; W149-Y162 HydrophobicContact CZ3-CE2 4.2Å; D150-Y162 PolarHBondContact O-N 2.86Å; F153-Y162 HydrophobicContact CD1-CD1 4.17Å; F153-Y162 AromaticContact CD1-CD2 3.76Å; F153-Y162 HydrophobicContact CD1-CD2 3.76Å; F153-Y162 HydrophobicContact CD1-CE1 4.25Å; F153-Y162 AromaticContact CD1-CE2 3.79Å; F153-Y162 HydrophobicContact CD1-CE2 3.79Å; F153-Y162 AromaticContact CD1-CG 3.98Å; F153-Y162 HydrophobicContact CD1-CG 3.98Å; F153-Y162 HydrophobicContact CE1-CD2 4.34Å; F153-Y162 HydrophobicContact CE1-CE1 4.15Å; F153-Y162 AromaticContact CE1-CE2 3.91Å; F153-Y162 HydrophobicContact CE1-CE2 3.91Å; F153-Y162 AromaticContact CE1-CZ 3.85Å; F153-Y162 PolarHBondContact O-N 3.04Å; P155-Y162 HydrophobicContact CB-CD1 4.32Å; P155-Y162 HydrophobicContact CB-CE1 3.74Å; P155-Y162 HydrophobicContact CG-CD1 3.74Å; P155-Y162 HydrophobicContact CG-CE1 3.57Å; Y162-L165 HydrophobicContact CD1-CD1 3.9Å; Y162-L165 HydrophobicContact CE1-CD1 4.33Å; Y162-K170 HydrophobicContact CD1-CG 4.49Å; Y162-K170 HydrophobicContact CG-CD 4.44Å; Y162-M173 HydrophobicContact CE1-CE 4.29Å; Y162-M173 HydrophobicContact CE1-SD 3.8Å; Y162-S174 WeakPolarHBondContact OH-CA 3.32Å; Y162-H175 AromaticContact CE2-CE1 3.71Å; Y162-H175 AromaticContact CE2-ND1 3.67Å
163	A	96.4	Very high	94.3	Very high	20 Å²	20	54.9 Å²	54.9	17%	0.165	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28	176.5	0	0	0	0	0	112.5	P144 D150 P151 T161	P144-A163 VanDerWaalsContact CD-O 3.25Å; P144-A163 WeakPolarHBondContact CD-O 3.2Å; D150-A163 HydrophobicContact CB-CB 4.05Å; D150-A163 PolarHBondContact O-N 3.43Å; P151-A163 HydrophobicContact CB-CB 4.2Å; P151-A163 HydrophobicContact CG-CB 3.84Å; T161-A163 PolarHBondContact O-N 3.3Å; T161-A163 VanDerWaalsContact O-N 3.13Å
164	E	96.8	Very high	94.1	Very high	65 Å²	65	55.1 Å²	55.1	30%	0.304	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-19.5	177.8	-69	171	115.9	0	0	113.4	R142 K160 T161	R142-E164 VanDerWaalsContact CB-CD 3.46Å; R142-E164 HydrophobicContact CB-CG 4.22Å; R142-E164 WeakPolarHBondContact CB-OE2 3.34Å; R142-E164 IonicContact CZ-OE2 3.88Å; R142-E164 IonicContact NE-OE1 3.83Å; R142-E164 IonicContact NE-OE2 3.16Å; R142-E164 PolarHBondContact NE-OE2 3.46Å; R142-E164 VanDerWaalsContact NE-OE2 3.16Å; R142-E164 IonicContact NH2-OE2 3.81Å; K160-E164 HydrophobicContact CB-CB 3.94Å; K160-E164 HydrophobicContact CD-CB 4.49Å; K160-E164 HydrophobicContact CG-CB 4.15Å; T161-E164 WeakPolarHBondContact CG2-OE2 3.41Å; T161-E164 PolarHBondContact N-OE2 3.41Å; T161-E164 PolarHBondContact O-N 2.82Å; T161-E164 VanDerWaalsContact OG1-CG 3.29Å; T161-E164 WeakPolarHBondContact OG1-CG 3.31Å; T161-E164 PolarHBondContact OG1-N 3.24Å; T161-E164 PolarHBondContact OG1-OE2 2.96Å
165	L	95.2	Very high	93.9	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.079	30%	0.296	C	S	.	.	S	Bend	trans	-71	138.7	177.6	-69.9	178.7	0	0	0	111.3	P155 Y158 K160 T161 Y162 V169 K170	P155-L165 HydrophobicContact CG-CD1 4.13Å; Y158-L165 HydrophobicContact CD1-CD1 4.39Å; Y158-L165 HydrophobicContact CD1-CD2 3.62Å; Y158-L165 HydrophobicContact CE1-CD2 4.12Å; Y158-L165 HydrophobicContact CG-CD2 4.32Å; K160-L165 HydrophobicContact CB-CD2 3.78Å; K160-L165 HydrophobicContact CB-CG 4.2Å; K160-L165 HydrophobicContact CD-CD2 4.14Å; T161-L165 PolarHBondContact O-N 3.32Å; T161-L165 VanDerWaalsContact O-N 3.1Å; Y162-L165 HydrophobicContact CD1-CD1 3.9Å; Y162-L165 HydrophobicContact CE1-CD1 4.33Å; L165-V169 HydrophobicContact CD2-CG1 4.24Å; L165-K170 HydrophobicContact CB-CB 4.46Å
166	P	93.7	Very high	93.7	Very high	68 Å²	68	55.7 Å²	55.7	44%	0.442	30%	0.304	S	S	.	.			trans	-54.9	144.1	165.8	-22.5	32.8	0	0	0	110.8	E168 V169 K170	P166-E168 PolarHBondContact O-N 3.03Å; P166-V169 HydrophobicContact CB-CB 4.48Å; P166-V169 HydrophobicContact CB-CG2 4.11Å; P166-V169 HydrophobicContact CG-CG2 4.14Å; P166-V169 PolarHBondContact O-N 3.13Å; P166-K170 PolarHBondContact O-N 3.02Å
167	K	86.4	Confident	93.5	Very high	105 Å²	105	55.3 Å²	55.3	46%	0.457	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-38.7	-176	-175.3	177.6	179.2	-174.8	0	111.7	E21 V169 K170 N171	E21-K167 IonicContact OE1-NZ 3.85Å; K167-V169 VanDerWaalsContact C-N 3.35Å; K167-K170 PolarHBondContact O-N 3.49Å; K167-N171 WeakPolarHBondContact O-CB 3.2Å; K167-N171 PolarHBondContact O-N 3.03Å; K167-N171 PolarHBondContact O-OD1 3.08Å
168	E	88.6	Confident	93.5	Very high	141 Å²	141	54.9 Å²	54.9	66%	0.659	27%	0.272	S	S	*	.	H	α-helix	trans	-64.7	-39.8	-179.8	-60.8	68.5	-148.4	0	0	111.4	P166 S172	P166-E168 PolarHBondContact O-N 3.03Å; E168-S172 PolarHBondContact O-N 3.28Å
169	V	91.9	Very high	93.5	Very high	48 Å²	48	50.8 Å²	50.8	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-69	-48.8	176.9	177.9	0	0	0	0	109.9	Y158 L165 P166 K167 N171 S172 M173	Y158-V169 HydrophobicContact CE1-CG1 3.77Å; L165-V169 HydrophobicContact CD2-CG1 4.24Å; P166-V169 HydrophobicContact CB-CB 4.48Å; P166-V169 HydrophobicContact CB-CG2 4.11Å; P166-V169 HydrophobicContact CG-CG2 4.14Å; P166-V169 PolarHBondContact O-N 3.13Å; K167-V169 VanDerWaalsContact C-N 3.35Å; V169-N171 VanDerWaalsContact C-N 3.27Å; V169-N171 PolarHBondContact O-N 3.15Å; V169-S172 PolarHBondContact O-N 3.31Å; V169-S172 PolarHBondContact O-OG 3.48Å; V169-M173 VanDerWaalsContact O-CG 3.24Å; V169-M173 WeakPolarHBondContact O-CG 3.29Å
170	K	89.7	Confident	93.4	Very high	36 Å²	36	44.9 Å²	44.9	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-43.6	176.4	-174.6	-173.6	-179.4	-173.1	0	111.3	D150 Y162 L165 P166 K167 S172 M173 S174	D150-K170 IonicContact OD1-NZ 3.02Å; D150-K170 PolarHBondContact OD1-NZ 3.49Å; D150-K170 IonicContact OD2-NZ 2.83Å; D150-K170 PolarHBondContact OD2-NZ 3.48Å; Y162-K170 HydrophobicContact CD1-CG 4.49Å; Y162-K170 HydrophobicContact CG-CD 4.44Å; L165-K170 HydrophobicContact CB-CB 4.46Å; P166-K170 PolarHBondContact O-N 3.02Å; K167-K170 PolarHBondContact O-N 3.49Å; K170-S172 VanDerWaalsContact C-N 3.25Å; K170-S172 PolarHBondContact O-N 2.81Å; K170-M173 PolarHBondContact O-N 3.29Å; K170-S174 WeakPolarHBondContact O-CB 3.21Å; K170-S174 PolarHBondContact O-N 2.98Å; K170-S174 PolarHBondContact O-OG 3.22Å
171	N	85.9	Confident	93.2	Very high	42 Å²	42	42.5 Å²	42.5	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-71.4	-14.3	-176.3	-75.1	-3.1	0	0	0	114.4	K167 V169 Y177	K167-N171 WeakPolarHBondContact O-CB 3.2Å; K167-N171 PolarHBondContact O-N 3.03Å; K167-N171 PolarHBondContact O-OD1 3.08Å; V169-N171 VanDerWaalsContact C-N 3.27Å; V169-N171 PolarHBondContact O-N 3.15Å; N171-Y177 VanDerWaalsContact O-CB 3.28Å; N171-Y177 WeakPolarHBondContact O-CB 3.5Å; N171-Y177 WeakPolarHBondContact O-CD2 3.46Å; N171-Y177 VanDerWaalsContact O-CG 3.27Å
172	S	89.3	Confident	93	Very high	69 Å²	69	44.2 Å²	44.2	48%	0.483	23%	0.234	S	C	.	.	H	α-helix	trans	-90.9	-13.2	177.2	69.8	0	0	0	0	114.1	E168 V169 K170 Y177	E168-S172 PolarHBondContact O-N 3.28Å; V169-S172 PolarHBondContact O-N 3.31Å; V169-S172 PolarHBondContact O-OG 3.48Å; K170-S172 VanDerWaalsContact C-N 3.25Å; K170-S172 PolarHBondContact O-N 2.81Å; S172-Y177 WeakPolarHBondContact O-CD1 3.18Å; S172-Y177 VanDerWaalsContact O-CE1 3.22Å; S172-Y177 WeakPolarHBondContact O-CE1 3.37Å
173	M	91.9	Very high	92.9	Very high	26 Å²	26	44 Å²	44	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-132.3	-17.4	-170.9	63.1	83.5	88.8	0	0	114.4	I134 P155 Y158 Y162 V169 K170 Q178	I134-M173 HydrophobicContact CD1-CE 3.29Å; I134-M173 HydrophobicContact CD1-SD 3.32Å; I134-M173 WeakPolarHBondContact CD1-SD 3.26Å; P155-M173 HydrophobicContact CB-CE 3.77Å; P155-M173 HydrophobicContact CG-CE 3.81Å; Y158-M173 HydrophobicContact CD2-CE 3.67Å; Y158-M173 HydrophobicContact CE2-CE 3.15Å; Y162-M173 HydrophobicContact CE1-CE 4.29Å; Y162-M173 HydrophobicContact CE1-SD 3.8Å; V169-M173 VanDerWaalsContact O-CG 3.24Å; V169-M173 WeakPolarHBondContact O-CG 3.29Å; K170-M173 PolarHBondContact O-N 3.29Å; M173-Q178 PolarHBondContact O-NE2 3.19Å; M173-Q178 VanDerWaalsContact O-NE2 3.13Å
174	S	92.7	Very high	92.7	Very high	5 Å²	5	44 Å²	44	4%	0.035	23%	0.232	C	C	.	.	S	Bend	trans	-58.5	154.8	-171.5	65	0	0	0	0	113.7	Y162 K170 R176 Y177 Q178	Y162-S174 WeakPolarHBondContact OH-CA 3.32Å; K170-S174 WeakPolarHBondContact O-CB 3.21Å; K170-S174 PolarHBondContact O-N 2.98Å; K170-S174 PolarHBondContact O-OG 3.22Å; S174-R176 PolarHBondContact O-N 2.56Å; S174-R176 VanDerWaalsContact O-N 3.16Å; S174-Y177 WeakPolarHBondContact O-CA 3.28Å; S174-Y177 WeakPolarHBondContact O-CB 3.11Å; S174-Y177 PolarHBondContact O-N 3.46Å; S174-Y177 PolarHBondContact OG-N 3.05Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.87Å
175	H	95.1	Very high	92.5	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-47.6	-38.7	168.5	57.1	-70.4	0	0	0	112.9	A113 C115 G132 I134 W149 Y162 A179	A113-H175 HydrophobicContact CB-CB 4.27Å; A113-H175 WeakPolarHBondContact O-CB 3.44Å; C115-H175 HydrophobicContact CB-CB 4.35Å; C115-H175 WeakPolarHBondContact CB-O 3.48Å; G132-H175 CarbonylContact C-O 3.59Å; G132-H175 VanDerWaalsContact CA-O 3.26Å; G132-H175 WeakPolarHBondContact CA-O 3.31Å; I134-H175 HydrophobicContact CB-CB 4.43Å; I134-H175 HydrophobicContact CG2-CB 3.87Å; W149-H175 AromaticContact CH2-CE1 3.57Å; W149-H175 AromaticContact CH2-NE2 3.9Å; W149-H175 AromaticContact CZ2-NE2 3.91Å; Y162-H175 AromaticContact CE2-CE1 3.71Å; Y162-H175 AromaticContact CE2-ND1 3.67Å; H175-A179 PolarHBondContact O-N 3.48Å; H175-A179 VanDerWaalsContact O-N 3.14Å
176	R	93.8	Very high	92.3	Very high	41 Å²	41	48.1 Å²	48.1	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-47.8	173.5	179	-177.1	-69.3	134.9	15.8	112.2	E21 E70 C115 F117 S174 Q178 A179 L180	E21-R176 IonicContact OE2-CZ 2.63Å; E21-R176 IonicContact OE2-NH1 3.34Å; E21-R176 PolarHBondContact OE2-NH1 2.95Å; E70-R176 IonicContact OE1-CZ 2.73Å; E70-R176 VanDerWaalsContact OE1-CZ 3.25Å; E70-R176 IonicContact OE1-NE 3.49Å; E70-R176 PolarHBondContact OE1-NE 3.34Å; E70-R176 IonicContact OE1-NH2 3.02Å; E70-R176 PolarHBondContact OE1-NH2 3.14Å; E70-R176 IonicContact OE2-NH2 2.65Å; C115-R176 HydrophobicContact CB-CB 4.45Å; F117-R176 HydrophobicContact CE2-CG 4.11Å; F117-R176 HydrophobicContact CZ-CG 4.45Å; S174-R176 PolarHBondContact O-N 2.56Å; S174-R176 VanDerWaalsContact O-N 3.16Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 2.95Å; R176-A179 PolarHBondContact O-N 3.36Å; R176-L180 HydrophobicContact CG-CD1 3.88Å; R176-L180 PolarHBondContact O-N 2.92Å
177	Y	93.7	Very high	92.2	Very high	91 Å²	91	45.4 Å²	45.4	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-57.4	-47.3	178.1	172.3	-96.6	0	0	0	111.2	I25 N171 S172 S174 A179 L180 A181	I25-Y177 HydrophobicContact CD1-CD2 4.12Å; I25-Y177 HydrophobicContact CG1-CD2 4.09Å; I25-Y177 HydrophobicContact CG2-CD2 3.75Å; I25-Y177 HydrophobicContact CG2-CE2 4.02Å; N171-Y177 VanDerWaalsContact O-CB 3.28Å; N171-Y177 WeakPolarHBondContact O-CB 3.5Å; N171-Y177 WeakPolarHBondContact O-CD2 3.46Å; N171-Y177 VanDerWaalsContact O-CG 3.27Å; S172-Y177 WeakPolarHBondContact O-CD1 3.18Å; S172-Y177 VanDerWaalsContact O-CE1 3.22Å; S172-Y177 WeakPolarHBondContact O-CE1 3.37Å; S174-Y177 WeakPolarHBondContact O-CA 3.28Å; S174-Y177 WeakPolarHBondContact O-CB 3.11Å; S174-Y177 PolarHBondContact O-N 3.46Å; S174-Y177 PolarHBondContact OG-N 3.05Å; Y177-A179 VanDerWaalsContact C-N 3.32Å; Y177-A179 PolarHBondContact O-N 3.29Å; Y177-L180 PolarHBondContact O-N 2.66Å; Y177-A181 HydrophobicContact CE1-CB 4.45Å; Y177-A181 WeakPolarHBondContact O-CB 3.22Å; Y177-A181 PolarHBondContact O-N 3.06Å
178	Q	95.9	Very high	92.2	Very high	74 Å²	74	40.9 Å²	40.9	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-59.8	-41.1	178.3	-67	-179.2	23.4	0	0	112.6	K133 M173 S174 R176 A181 A182	K133-Q178 PolarHBondContact O-NE2 2.89Å; K133-Q178 PolarHBondContact O-OE1 3.2Å; M173-Q178 PolarHBondContact O-NE2 3.19Å; M173-Q178 VanDerWaalsContact O-NE2 3.13Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.87Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; R176-Q178 PolarHBondContact O-N 2.95Å; Q178-A181 PolarHBondContact O-N 3.13Å; Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.34Å
179	A	97.1	Very high	92	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-42.9	177.8	0	0	0	0	0	112.1	C115 F117 H175 R176 Y177 A182 M183	C115-A179 HydrophobicContact CB-CB 4.05Å; F117-A179 HydrophobicContact CD2-CB 3.8Å; F117-A179 HydrophobicContact CE2-CB 4.36Å; H175-A179 PolarHBondContact O-N 3.48Å; H175-A179 VanDerWaalsContact O-N 3.14Å; R176-A179 PolarHBondContact O-N 3.36Å; Y177-A179 VanDerWaalsContact C-N 3.32Å; Y177-A179 PolarHBondContact O-N 3.29Å; A179-A182 PolarHBondContact O-N 2.92Å; A179-M183 PolarHBondContact O-N 3.32Å
180	L	94.9	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.1	-35.3	177.6	-71.8	168.5	0	0	0	112.5	V22 I25 L26 F117 R176 Y177 M183 S184	V22-L180 HydrophobicContact CB-CD1 4.47Å; V22-L180 HydrophobicContact CG1-CD2 4.09Å; V22-L180 HydrophobicContact CG2-CD1 3.99Å; V22-L180 HydrophobicContact CG2-CD2 4.24Å; I25-L180 HydrophobicContact CB-CB 4.24Å; I25-L180 HydrophobicContact CB-CD1 3.97Å; I25-L180 HydrophobicContact CD1-CD1 3.66Å; I25-L180 HydrophobicContact CG1-CD1 4.41Å; I25-L180 HydrophobicContact CG2-CB 3.52Å; I25-L180 HydrophobicContact CG2-CD1 4.1Å; I25-L180 HydrophobicContact CG2-CG 4.47Å; L26-L180 HydrophobicContact CD1-CD2 4.37Å; L26-L180 HydrophobicContact CD2-CB 4.49Å; L26-L180 HydrophobicContact CD2-CD2 3.98Å; L26-L180 HydrophobicContact CG-CD2 4.04Å; F117-L180 HydrophobicContact CD1-CD2 4.15Å; F117-L180 HydrophobicContact CD2-CD2 4.02Å; F117-L180 HydrophobicContact CD2-CG 4.14Å; F117-L180 HydrophobicContact CE1-CD2 3.8Å; F117-L180 HydrophobicContact CE2-CD1 4.17Å; F117-L180 HydrophobicContact CE2-CD2 3.65Å; F117-L180 HydrophobicContact CE2-CG 3.58Å; F117-L180 HydrophobicContact CG-CD2 4.26Å; F117-L180 HydrophobicContact CZ-CD1 4.13Å; F117-L180 HydrophobicContact CZ-CD2 3.55Å; F117-L180 HydrophobicContact CZ-CG 3.85Å; R176-L180 HydrophobicContact CG-CD1 3.88Å; R176-L180 PolarHBondContact O-N 2.92Å; Y177-L180 PolarHBondContact O-N 2.66Å; L180-M183 PolarHBondContact O-N 2.84Å; L180-S184 WeakPolarHBondContact O-CB 3.15Å; L180-S184 PolarHBondContact O-N 2.96Å
181	A	92.9	Very high	90.6	Very high	36 Å²	36	41.9 Å²	41.9	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-44.6	173	0	0	0	0	0	110.7	Y177 Q178 M183 S184 E185	Y177-A181 HydrophobicContact CE1-CB 4.45Å; Y177-A181 WeakPolarHBondContact O-CB 3.22Å; Y177-A181 PolarHBondContact O-N 3.06Å; Q178-A181 PolarHBondContact O-N 3.13Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 3.38Å; A181-S184 PolarHBondContact O-N 3.44Å; A181-E185 WeakPolarHBondContact O-CB 3.43Å; A181-E185 PolarHBondContact O-N 3.46Å
182	A	94.8	Very high	89.9	Confident	35 Å²	35	48.6 Å²	48.6	29%	0.289	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-41.3	174.4	0	0	0	0	0	112.1	Q178 A179 H186	Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.34Å; A179-A182 PolarHBondContact O-N 2.92Å; A182-H186 WeakPolarHBondContact O-CB 3.32Å; A182-H186 PolarHBondContact O-N 2.94Å; A182-H186 VanDerWaalsContact O-N 3.09Å
183	M	95.1	Very high	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-48.1	173.8	-178.3	-179.2	-78.4	0	0	111.8	L26 F30 F117 F119 F130 A179 L180 A181 E185 H186 F187	L26-M183 HydrophobicContact CD2-CB 4.35Å; L26-M183 HydrophobicContact CD2-CG 4.19Å; L26-M183 HydrophobicContact CD2-SD 4.01Å; F30-M183 HydrophobicContact CE2-CG 4.11Å; F30-M183 HydrophobicContact CE2-SD 3.9Å; F30-M183 HydrophobicContact CZ-SD 4.24Å; F117-M183 HydrophobicContact CB-CE 3.6Å; F117-M183 HydrophobicContact CD1-CE 4.37Å; F117-M183 HydrophobicContact CG-CE 4.26Å; F119-M183 HydrophobicContact CB-CE 4.08Å; F130-M183 HydrophobicContact CB-CB 4.09Å; F130-M183 VanDerWaalsContact CD1-CA 3.49Å; F130-M183 HydrophobicContact CD1-CB 3.99Å; F130-M183 HydrophobicContact CD2-CB 3.96Å; F130-M183 HydrophobicContact CD2-CE 3.33Å; F130-M183 HydrophobicContact CD2-CG 3.98Å; F130-M183 HydrophobicContact CE1-CB 4.44Å; F130-M183 HydrophobicContact CE2-CB 4.39Å; F130-M183 HydrophobicContact CE2-CE 3.72Å; F130-M183 HydrophobicContact CE2-CG 4.01Å; F130-M183 HydrophobicContact CG-CB 3.72Å; F130-M183 HydrophobicContact CG-CE 4.19Å; F130-M183 HydrophobicContact CG-CG 4.24Å; F130-M183 HydrophobicContact CZ-CG 4.35Å; A179-M183 PolarHBondContact O-N 3.32Å; L180-M183 PolarHBondContact O-N 2.84Å; A181-M183 VanDerWaalsContact C-N 3.33Å; A181-M183 PolarHBondContact O-N 3.38Å; M183-E185 PolarHBondContact O-N 3.13Å; M183-H186 WeakPolarHBondContact O-CB 3.26Å; M183-H186 PolarHBondContact O-N 3.34Å; M183-F187 HydrophobicContact CG-CD2 3.88Å; M183-F187 HydrophobicContact CG-CE2 3.84Å; M183-F187 VanDerWaalsContact O-CD2 3.3Å; M183-F187 WeakPolarHBondContact O-CD2 3.37Å; M183-F187 PolarHBondContact O-N 2.93Å; M183-F187 VanDerWaalsContact O-N 3.15Å
184	S	92	Very high	86.9	Confident	18 Å²	18	54.4 Å²	54.4	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-45.8	-179.8	-172.2	0	0	0	0	111.4	L26 L180 A181 H186 F187 A188	L26-S184 PolarHBondContact O-OG 3.43Å; L180-S184 WeakPolarHBondContact O-CB 3.15Å; L180-S184 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-N 3.44Å; S184-H186 VanDerWaalsContact C-N 3.35Å; S184-H186 PolarHBondContact O-N 2.88Å; S184-F187 PolarHBondContact O-N 2.86Å; S184-A188 WeakPolarHBondContact O-CB 3.29Å; S184-A188 PolarHBondContact O-N 2.98Å
185	E	91.7	Very high	84.7	Confident	106 Å²	106	64.9 Å²	64.9	50%	0.495	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-43.1	177.2	-172.7	-174.8	177.1	0	0	112.1	A181 M183 A188 K189	A181-E185 WeakPolarHBondContact O-CB 3.43Å; A181-E185 PolarHBondContact O-N 3.46Å; M183-E185 PolarHBondContact O-N 3.13Å; E185-A188 PolarHBondContact O-N 3.27Å; E185-K189 HydrophobicContact CG-CD 4.41Å; E185-K189 WeakPolarHBondContact O-CG 3.18Å; E185-K189 PolarHBondContact O-N 3.17Å; E185-K189 WeakPolarHBondContact OE1-CE 3.5Å; E185-K189 IonicContact OE1-NZ 3.34Å; E185-K189 PolarHBondContact OE1-NZ 3.48Å
186	H	92.2	Very high	84.1	Confident	62 Å²	62	67.7 Å²	67.7	29%	0.287	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-50.4	177.8	174.5	91	0	0	0	111.9	Q128 F130 A182 M183 S184 K189 I190	Q128-H186 PolarHBondContact OE1-CE1 3.41Å; Q128-H186 VanDerWaalsContact OE1-CE1 3.26Å; Q128-H186 PolarHBondContact OE1-NE2 3.06Å; F130-H186 HydrophobicContact CD1-CB 4.41Å; F130-H186 HydrophobicContact CE1-CB 3.52Å; F130-H186 AromaticContact CE1-CD2 3.94Å; F130-H186 AromaticContact CE1-CG 3.57Å; F130-H186 HydrophobicContact CZ-CB 4.21Å; F130-H186 AromaticContact CZ-CD2 3.79Å; F130-H186 AromaticContact CZ-CG 3.91Å; A182-H186 WeakPolarHBondContact O-CB 3.32Å; A182-H186 PolarHBondContact O-N 2.94Å; A182-H186 VanDerWaalsContact O-N 3.09Å; M183-H186 WeakPolarHBondContact O-CB 3.26Å; M183-H186 PolarHBondContact O-N 3.34Å; S184-H186 VanDerWaalsContact C-N 3.35Å; S184-H186 PolarHBondContact O-N 2.88Å; H186-K189 PolarHBondContact O-N 3.39Å; H186-I190 WeakPolarHBondContact NE2-CD1 3.25Å; H186-I190 PolarHBondContact O-N 3.33Å
187	F	90	Very high	83.6	Confident	10 Å²	10	69.1 Å²	69.1	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-71.3	-30.7	-180	-77	-72.2	0	0	0	113.1	F30 P31 Y32 F119 F130 M183 S184 K189 I190 N191	F30-F187 HydrophobicContact CD2-CB 4.42Å; F30-F187 AromaticContact CD2-CD2 3.92Å; F30-F187 HydrophobicContact CD2-CD2 3.92Å; F30-F187 HydrophobicContact CD2-CG 4.31Å; F30-F187 AromaticContact CE2-CD2 3.51Å; F30-F187 HydrophobicContact CE2-CD2 3.51Å; F30-F187 AromaticContact CE2-CE2 3.74Å; F30-F187 HydrophobicContact CE2-CE2 3.74Å; F30-F187 HydrophobicContact CE2-CG 4.19Å; P31-F187 HydrophobicContact CG-CB 4.01Å; P31-F187 HydrophobicContact CG-CD1 3.73Å; P31-F187 HydrophobicContact CG-CG 4.03Å; Y32-F187 HydrophobicContact CE2-CD1 4.34Å; Y32-F187 AromaticContact CE2-CE1 3.81Å; Y32-F187 HydrophobicContact CE2-CE1 3.81Å; Y32-F187 HydrophobicContact CE2-CZ 4.18Å; F119-F187 AromaticContact CD1-CZ 3.78Å; F119-F187 HydrophobicContact CD1-CZ 3.78Å; F119-F187 HydrophobicContact CD2-CZ 4.38Å; F119-F187 HydrophobicContact CE1-CE1 4.28Å; F119-F187 AromaticContact CE1-CZ 3.67Å; F119-F187 HydrophobicContact CE1-CZ 3.67Å; F119-F187 HydrophobicContact CE2-CZ 4.27Å; F119-F187 HydrophobicContact CG-CZ 4.14Å; F119-F187 HydrophobicContact CZ-CE1 4.45Å; F119-F187 AromaticContact CZ-CZ 3.93Å; F119-F187 HydrophobicContact CZ-CZ 3.93Å; F130-F187 HydrophobicContact CE2-CE2 4.44Å; F130-F187 HydrophobicContact CZ-CE2 4.24Å; M183-F187 HydrophobicContact CG-CD2 3.88Å; M183-F187 HydrophobicContact CG-CE2 3.84Å; M183-F187 VanDerWaalsContact O-CD2 3.3Å; M183-F187 WeakPolarHBondContact O-CD2 3.37Å; M183-F187 PolarHBondContact O-N 2.93Å; M183-F187 VanDerWaalsContact O-N 3.15Å; S184-F187 PolarHBondContact O-N 2.86Å; F187-K189 VanDerWaalsContact C-N 3.32Å; F187-K189 PolarHBondContact O-N 3.33Å; F187-I190 PolarHBondContact O-N 3.43Å; F187-N191 PolarHBondContact O-N 3.01Å; F187-N191 VanDerWaalsContact O-N 3.11Å; F187-N191 PolarHBondContact O-ND2 2.9Å
188	A	86.6	Confident	83.1	Confident	11 Å²	11	67.9 Å²	67.9	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-38.7	172.7	0	0	0	0	0	111.9	S184 E185 R192	S184-A188 WeakPolarHBondContact O-CB 3.29Å; S184-A188 PolarHBondContact O-N 2.98Å; E185-A188 PolarHBondContact O-N 3.27Å; A188-R192 WeakPolarHBondContact O-CG 3.42Å; A188-R192 PolarHBondContact O-N 2.95Å
189	K	85.7	Confident	82.3	Confident	113 Å²	113	67.5 Å²	67.5	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-47.4	175.9	-73.4	172.2	-177	168.3	0	111.8	E185 H186 F187 N191 R192 T193	E185-K189 HydrophobicContact CG-CD 4.41Å; E185-K189 WeakPolarHBondContact O-CG 3.18Å; E185-K189 PolarHBondContact O-N 3.17Å; E185-K189 WeakPolarHBondContact OE1-CE 3.5Å; E185-K189 IonicContact OE1-NZ 3.34Å; E185-K189 PolarHBondContact OE1-NZ 3.48Å; H186-K189 PolarHBondContact O-N 3.39Å; F187-K189 VanDerWaalsContact C-N 3.32Å; F187-K189 PolarHBondContact O-N 3.33Å; K189-N191 VanDerWaalsContact C-N 3.29Å; K189-N191 PolarHBondContact O-N 3.16Å; K189-R192 PolarHBondContact O-N 3.18Å; K189-R192 VanDerWaalsContact O-N 3.07Å; K189-T193 PolarHBondContact O-N 3.1Å; K189-T193 VanDerWaalsContact O-N 3.14Å; K189-T193 PolarHBondContact O-OG1 3.31Å; K189-T193 VanDerWaalsContact O-OG1 3.1Å
190	I	81	Confident	81.4	Confident	74 Å²	74	71.8 Å²	71.8	38%	0.379	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-42.2	178.4	-68.7	176.2	0	0	0	111.6	H186 F187 R192 T193 S194	H186-I190 WeakPolarHBondContact NE2-CD1 3.25Å; H186-I190 PolarHBondContact O-N 3.33Å; F187-I190 PolarHBondContact O-N 3.43Å; I190-R192 VanDerWaalsContact C-N 3.26Å; I190-R192 PolarHBondContact O-N 2.91Å; I190-T193 PolarHBondContact O-N 2.62Å; I190-S194 WeakPolarHBondContact O-CB 3.24Å; I190-S194 PolarHBondContact O-N 3.23Å; I190-S194 VanDerWaalsContact O-N 3.14Å; I190-S194 PolarHBondContact O-OG 3.03Å
191	N	70.5	Confident	80.5	Confident	59 Å²	59	76.5 Å²	76.5	32%	0.316	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-28.5	178.9	-75.2	-20	0	0	0	113.2	F187 K189	F187-N191 PolarHBondContact O-N 3.01Å; F187-N191 VanDerWaalsContact O-N 3.11Å; F187-N191 PolarHBondContact O-ND2 2.9Å; K189-N191 VanDerWaalsContact C-N 3.29Å; K189-N191 PolarHBondContact O-N 3.16Å
192	R	70.3	Confident	79.6	Confident	182 Å²	182	79.4 Å²	79.4	69%	0.687	41%	0.405	S	S	*	.	H	α-helix	trans	-80.5	-30.1	176.7	-69.2	176.7	-170.1	-178.4	4.2	113	A188 K189 I190 S194	A188-R192 WeakPolarHBondContact O-CG 3.42Å; A188-R192 PolarHBondContact O-N 2.95Å; K189-R192 PolarHBondContact O-N 3.18Å; K189-R192 VanDerWaalsContact O-N 3.07Å; I190-R192 VanDerWaalsContact C-N 3.26Å; I190-R192 PolarHBondContact O-N 2.91Å; R192-S194 VanDerWaalsContact C-N 3.35Å
193	T	62.8	Low	78.4	Confident	120 Å²	120	82.8 Å²	82.8	74%	0.736	41%	0.414	S	S	*	.	H	α-helix	trans	-82.3	-16.6	178.3	-42	0	0	0	0	112.7	K189 I190	K189-T193 PolarHBondContact O-N 3.1Å; K189-T193 VanDerWaalsContact O-N 3.14Å; K189-T193 PolarHBondContact O-OG1 3.31Å; K189-T193 VanDerWaalsContact O-OG1 3.1Å; I190-T193 PolarHBondContact O-N 2.62Å
194	S	57	Low	77	Confident	97 Å²	97	89.8 Å²	89.8	68%	0.678	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.8	178.3	-50.1	0	0	0	0	113.5	I190 R192	I190-S194 WeakPolarHBondContact O-CB 3.24Å; I190-S194 PolarHBondContact O-N 3.23Å; I190-S194 VanDerWaalsContact O-N 3.14Å; I190-S194 PolarHBondContact O-OG 3.03Å; R192-S194 VanDerWaalsContact C-N 3.35Å
195	Q	44.7	Very low	75.7	Confident	225 Å²	225	96.3 Å²	96.3	100%	1.051	48%	0.478	S	S	*	.			trans	-109.1	0	171.1	-72.8	-178.7	33.2	0	0	109.1

Retrieved 195 of 195 residues in 144.9 ms (Link to these results)

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