A0A3Q0KGU1_SCHMA Loading...

Inosine triphosphate pyrophosphatase

Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) or 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 A0A3Q0KGU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	84.1	Confident	240 Å²	240	65.5 Å²	65.5	100%	1.182	36%	0.355	S	S	*	.				0	127.3	0	-74.3	-176.8	-133.5	0	0	107	R3	M1-R3 PolarHBondContact O-N 3.24Å
2	S	56.6	Low	84.8	Confident	114 Å²	114	67.6 Å²	67.6	80%	0.797	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.4	124.1	173	54.3	0	0	0	0	108.9	Q4	S2-Q4 PolarHBondContact O-N 3.26Å
3	R	72.9	Confident	85.5	Confident	134 Å²	134	66.9 Å²	66.9	51%	0.506	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-60.9	121.2	173.3	-86.6	-179.7	164.6	-165.5	-5.8	108.4	M1 P62 D117	M1-R3 PolarHBondContact O-N 3.24Å; R3-P62 HydrophobicContact CB-CG 4.15Å; R3-P62 HydrophobicContact CG-CG 4.3Å; R3-D117 IonicContact NH1-OD2 3.59Å; R3-D117 PolarHBondContact NH1-OD2 3.34Å
4	Q	88	Confident	86.1	Confident	99 Å²	99	63.7 Å²	63.7	46%	0.463	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-86.6	122	178.5	-174.9	171.5	52.4	0	0	109.1	S2 K31	S2-Q4 PolarHBondContact O-N 3.26Å; Q4-K31 HydrophobicContact CG-CB 4Å
5	L	93.8	Very high	86.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.5	176	-179.1	62	0	0	0	109.6	K29 V30 K31 P62 L64 Y115 L183 F188	L5-K29 PolarHBondContact N-O 2.91Å; L5-V30 HydrophobicContact CB-CG2 4.46Å; L5-V30 HydrophobicContact CD2-CG2 4.18Å; L5-V30 CarbonylContact O-C 3.51Å; L5-V30 WeakPolarHBondContact O-CA 3.36Å; L5-K31 PolarHBondContact O-N 3.11Å; L5-P62 HydrophobicContact CD1-CB 4.19Å; L5-L64 HydrophobicContact CD1-CB 4.07Å; L5-L64 HydrophobicContact CD2-CB 4.42Å; L5-L64 HydrophobicContact CD2-CD2 4.36Å; L5-L64 HydrophobicContact CG-CB 4.39Å; L5-Y115 HydrophobicContact CD1-CD2 4Å; L5-Y115 HydrophobicContact CD1-CE2 3.56Å; L5-L183 HydrophobicContact CD2-CD1 3.55Å; L5-L183 HydrophobicContact CD2-CD2 4.22Å; L5-F188 HydrophobicContact CB-CZ 4.35Å
6	T	96.2	Very high	87	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.049	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.7	175.1	-57.1	0	0	0	0	110.8	V8 K31 V33 I59 P62 V63 L64	T6-V8 HydrophobicContact CG2-CG2 3.86Å; T6-K31 CarbonylContact C-O 3.54Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.2Å; T6-V33 HydrophobicContact CG2-CB 4.02Å; T6-V33 HydrophobicContact CG2-CG2 3.52Å; T6-I59 HydrophobicContact CG2-CD1 4.02Å; T6-I59 HydrophobicContact CG2-CG1 4.16Å; T6-I59 HydrophobicContact CG2-CG2 4.14Å; T6-P62 PolarHBondContact N-O 2.91Å; T6-V63 CarbonylContact O-C 3.48Å; T6-V63 WeakPolarHBondContact O-CA 3.41Å; T6-L64 PolarHBondContact O-N 3.48Å
7	F	97.1	Very high	87.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.3	169.3	-179.6	-126.5	0	0	0	110.1	T9 L15 F18 V30 K31 T32 V33 L64 E66 F113	F7-T9 HydrophobicContact CD1-CG2 3.82Å; F7-T9 HydrophobicContact CE1-CG2 3.25Å; F7-T9 HydrophobicContact CZ-CG2 3.74Å; F7-L15 HydrophobicContact CD1-CD1 3.96Å; F7-L15 HydrophobicContact CE1-CD1 4.07Å; F7-F18 HydrophobicContact CB-CE1 4.15Å; F7-F18 HydrophobicContact CB-CZ 4.13Å; F7-F18 HydrophobicContact CD1-CB 4.38Å; F7-F18 AromaticContact CD1-CD1 3.56Å; F7-F18 HydrophobicContact CD1-CD1 3.56Å; F7-F18 HydrophobicContact CD1-CD2 4.21Å; F7-F18 AromaticContact CD1-CE1 3.84Å; F7-F18 HydrophobicContact CD1-CE1 3.84Å; F7-F18 HydrophobicContact CD1-CE2 4.41Å; F7-F18 AromaticContact CD1-CG 3.78Å; F7-F18 HydrophobicContact CD1-CG 3.78Å; F7-F18 HydrophobicContact CD1-CZ 4.26Å; F7-F18 HydrophobicContact CD2-CD2 4.25Å; F7-F18 HydrophobicContact CD2-CE2 4.1Å; F7-F18 HydrophobicContact CD2-CZ 4.37Å; F7-F18 HydrophobicContact CE1-CB 3.66Å; F7-F18 AromaticContact CE1-CD1 3.73Å; F7-F18 HydrophobicContact CE1-CD1 3.73Å; F7-F18 AromaticContact CE1-CD2 3.96Å; F7-F18 HydrophobicContact CE1-CD2 3.96Å; F7-F18 HydrophobicContact CE1-CE1 4.41Å; F7-F18 AromaticContact CE1-CG 3.49Å; F7-F18 HydrophobicContact CE1-CG 3.49Å; F7-F18 VanDerWaalsContact CE1-CG 3.49Å; F7-F18 HydrophobicContact CE2-CD2 4.05Å; F7-F18 HydrophobicContact CE2-CE2 4.32Å; F7-F18 HydrophobicContact CE2-CG 4.41Å; F7-F18 HydrophobicContact CG-CD1 4.16Å; F7-F18 HydrophobicContact CG-CD2 4.34Å; F7-F18 HydrophobicContact CG-CE1 4.01Å; F7-F18 HydrophobicContact CG-CE2 4.16Å; F7-F18 HydrophobicContact CG-CG 4.33Å; F7-F18 HydrophobicContact CG-CZ 4.01Å; F7-F18 HydrophobicContact CZ-CB 3.98Å; F7-F18 HydrophobicContact CZ-CD1 4.48Å; F7-F18 AromaticContact CZ-CD2 3.89Å; F7-F18 HydrophobicContact CZ-CD2 3.89Å; F7-F18 AromaticContact CZ-CG 3.85Å; F7-F18 HydrophobicContact CZ-CG 3.85Å; F7-V30 HydrophobicContact CB-CG1 3.77Å; F7-K31 PolarHBondContact N-O 3.31Å; F7-T32 WeakPolarHBondContact O-CA 3.48Å; F7-V33 PolarHBondContact O-N 3.32Å; F7-L64 CarbonylContact C-O 3.58Å; F7-L64 WeakPolarHBondContact CA-O 3.5Å; F7-L64 HydrophobicContact CD2-CB 4.3Å; F7-L64 HydrophobicContact CD2-CD2 4.15Å; F7-L64 HydrophobicContact CD2-CG 4.2Å; F7-L64 WeakPolarHBondContact CD2-O 3.36Å; F7-E66 HydrophobicContact CE2-CB 4.46Å; F7-E66 HydrophobicContact CE2-CG 4.08Å; F7-E66 HydrophobicContact CZ-CG 3.97Å; F7-F113 HydrophobicContact CE2-CD1 4.41Å; F7-F113 AromaticContact CE2-CE1 3.8Å; F7-F113 HydrophobicContact CE2-CE1 3.8Å; F7-F113 HydrophobicContact CZ-CE1 4.33Å
8	V	97.4	Very high	87.9	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.6	-176.7	-178.5	0	0	0	0	110.5	T6 V33 L35 L37 A55 I59 L64 I65	T6-V8 HydrophobicContact CG2-CG2 3.86Å; V8-V33 VanDerWaalsContact CA-O 3.28Å; V8-V33 WeakPolarHBondContact CA-O 3.45Å; V8-L35 HydrophobicContact CG1-CB 3.72Å; V8-L35 HydrophobicContact CG1-CD1 3.96Å; V8-L35 HydrophobicContact CG1-CG 3.99Å; V8-L35 HydrophobicContact CG2-CD1 4.44Å; V8-L37 HydrophobicContact CG1-CD1 3.91Å; V8-A55 HydrophobicContact CB-CB 4.46Å; V8-A55 HydrophobicContact CG2-CB 4.24Å; V8-I59 HydrophobicContact CG2-CG1 4.14Å; V8-L64 PolarHBondContact N-O 3.47Å; V8-I65 HydrophobicContact CB-CG2 3.95Å
9	T	95.2	Very high	88.1	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.135	32%	0.319	C	S	.	.			trans	-157.7	134.9	174.7	-176	0	0	0	0	110.7	F7 N11 L15 V33	F7-T9 HydrophobicContact CD1-CG2 3.82Å; F7-T9 HydrophobicContact CE1-CG2 3.25Å; F7-T9 HydrophobicContact CZ-CG2 3.74Å; T9-N11 PolarHBondContact OG1-N 2.81Å; T9-L15 HydrophobicContact CG2-CB 3.97Å; T9-L15 HydrophobicContact CG2-CD1 4.45Å; T9-V33 PolarHBondContact N-O 2.85Å
10	G	92.3	Very high	88.3	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	33%	0.329	S	S	.	.	S	Bend	trans	-92	3.8	169.6	0	0	0	0	0	114.2	D34	G10-D34 VanDerWaalsContact CA-CG 3.44Å; G10-D34 WeakPolarHBondContact CA-OD1 3.31Å
11	N	92.8	Very high	88.5	Confident	54 Å²	54	59.2 Å²	59.2	29%	0.289	32%	0.318	S	S	.	.			trans	-101.3	113.6	-177.2	-176.1	-44.2	0	0	0	111	T9 N13 K14 L15	T9-N11 PolarHBondContact OG1-N 2.81Å; N11-N13 VanDerWaalsContact C-N 3.33Å; N11-N13 PolarHBondContact O-N 3.12Å; N11-N13 WeakPolarHBondContact OD1-CB 3.13Å; N11-N13 PolarHBondContact OD1-N 3.47Å; N11-K14 HydrophobicContact CB-CB 3.91Å; N11-K14 HydrophobicContact CB-CD 3.58Å; N11-K14 HydrophobicContact CB-CG 3.79Å; N11-K14 PolarHBondContact O-N 3.28Å; N11-K14 PolarHBondContact OD1-N 3.08Å; N11-L15 PolarHBondContact O-N 3.47Å
12	P	93.4	Very high	90.8	Very high	90 Å²	90	48 Å²	48	58%	0.584	26%	0.263	S	S	*	.	H	α-helix	trans	-67	-30.4	-175.7	25.9	-34.4	0	0	0	113.4	T16	P12-T16 WeakPolarHBondContact O-CB 3.43Å; P12-T16 PolarHBondContact O-N 3.48Å; P12-T16 PolarHBondContact O-OG1 3.14Å
13	N	93.3	Very high	92.3	Very high	59 Å²	59	44.1 Å²	44.1	32%	0.316	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-43.7	176.1	-69.4	-27.5	0	0	0	110.8	N11 L15 T16 E17 D142 F143	N11-N13 VanDerWaalsContact C-N 3.33Å; N11-N13 PolarHBondContact O-N 3.12Å; N11-N13 WeakPolarHBondContact OD1-CB 3.13Å; N11-N13 PolarHBondContact OD1-N 3.47Å; N13-L15 VanDerWaalsContact C-N 3.34Å; N13-L15 PolarHBondContact O-N 3.34Å; N13-T16 PolarHBondContact O-N 2.79Å; N13-E17 PolarHBondContact O-N 2.96Å; N13-D142 PolarHBondContact ND2-O 3.14Å; N13-F143 HydrophobicContact CB-CD1 4.2Å; N13-F143 HydrophobicContact CB-CD2 3.54Å; N13-F143 HydrophobicContact CB-CE1 4.18Å; N13-F143 HydrophobicContact CB-CE2 3.52Å; N13-F143 HydrophobicContact CB-CG 3.9Å; N13-F143 HydrophobicContact CB-CZ 3.85Å
14	K	94.1	Very high	92.8	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.096	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-44.6	174	-67.3	178.3	153.5	-151.4	0	111.1	N11 T16 E17 F18 E66 T68 F143	N11-K14 HydrophobicContact CB-CB 3.91Å; N11-K14 HydrophobicContact CB-CD 3.58Å; N11-K14 HydrophobicContact CB-CG 3.79Å; N11-K14 PolarHBondContact O-N 3.28Å; N11-K14 PolarHBondContact OD1-N 3.08Å; K14-T16 PolarHBondContact O-N 3.03Å; K14-E17 PolarHBondContact O-N 2.77Å; K14-F18 WeakPolarHBondContact O-CB 3.35Å; K14-F18 PolarHBondContact O-N 2.83Å; K14-E66 WeakPolarHBondContact CB-OE1 3.31Å; K14-E66 WeakPolarHBondContact CD-OE1 3.38Å; K14-E66 WeakPolarHBondContact CE-OE1 3.23Å; K14-E66 WeakPolarHBondContact CG-OE1 3.45Å; K14-E66 IonicContact NZ-OE1 3.52Å; K14-E66 PolarHBondContact NZ-OE1 3.26Å; K14-T68 PolarHBondContact NZ-OG1 3.38Å; K14-F143 HydrophobicContact CG-CE2 4.1Å; K14-F143 HydrophobicContact CG-CZ 4.08Å
15	L	94	Very high	92.7	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-45.1	176.3	177.6	58.5	0	0	0	112.2	F7 T9 N11 N13 E17 F18 L19 T32	F7-L15 HydrophobicContact CD1-CD1 3.96Å; F7-L15 HydrophobicContact CE1-CD1 4.07Å; T9-L15 HydrophobicContact CG2-CB 3.97Å; T9-L15 HydrophobicContact CG2-CD1 4.45Å; N11-L15 PolarHBondContact O-N 3.47Å; N13-L15 VanDerWaalsContact C-N 3.34Å; N13-L15 PolarHBondContact O-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.08Å; L15-F18 PolarHBondContact O-N 3.01Å; L15-L19 HydrophobicContact CD1-CD1 3.9Å; L15-L19 HydrophobicContact CD1-CD2 4.46Å; L15-L19 HydrophobicContact CD1-CG 3.89Å; L15-L19 HydrophobicContact CG-CD1 4.03Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.86Å; L15-T32 HydrophobicContact CD1-CG2 3.47Å; L15-T32 VanDerWaalsContact CD1-CG2 3.47Å
16	T	92.8	Very high	92.4	Very high	62 Å²	62	45.8 Å²	45.8	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-42.7	178.5	-61.2	0	0	0	0	111.7	P12 N13 K14 K20	P12-T16 WeakPolarHBondContact O-CB 3.43Å; P12-T16 PolarHBondContact O-N 3.48Å; P12-T16 PolarHBondContact O-OG1 3.14Å; N13-T16 PolarHBondContact O-N 2.79Å; K14-T16 PolarHBondContact O-N 3.03Å; T16-K20 HydrophobicContact CG2-CD 4.47Å; T16-K20 WeakPolarHBondContact O-CG 3.32Å; T16-K20 PolarHBondContact O-N 2.89Å
17	E	94.2	Very high	91.8	Very high	14 Å²	14	49 Å²	49	7%	0.065	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-44.6	175.8	-72.4	-169.3	170.8	0	0	112.1	N13 K14 L15 L19 K20 I21 F143 K166 R172	N13-E17 PolarHBondContact O-N 2.96Å; K14-E17 PolarHBondContact O-N 2.77Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.08Å; E17-L19 PolarHBondContact O-N 3.07Å; E17-K20 PolarHBondContact O-N 3.04Å; E17-I21 HydrophobicContact CB-CD1 4.41Å; E17-I21 WeakPolarHBondContact O-CD1 3.32Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.41Å; E17-I21 PolarHBondContact O-N 3.35Å; E17-F143 WeakPolarHBondContact OE1-CE1 3.23Å; E17-K166 WeakPolarHBondContact OE1-CE 3.49Å; E17-K166 IonicContact OE1-NZ 3.58Å; E17-K166 PolarHBondContact OE1-NZ 2.7Å; E17-K166 IonicContact OE2-NZ 3.23Å; E17-R172 IonicContact OE2-CZ 2.82Å; E17-R172 IonicContact OE2-NE 3.55Å; E17-R172 IonicContact OE2-NH1 2.94Å; E17-R172 PolarHBondContact OE2-NH1 2.61Å
18	F	95.2	Very high	91.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-52	176.5	171.4	-91.7	0	0	0	111.6	F7 K14 L15 K20 I21 I22 V30 L64 F113 L176	F7-F18 HydrophobicContact CB-CE1 4.15Å; F7-F18 HydrophobicContact CB-CZ 4.13Å; F7-F18 HydrophobicContact CD1-CB 4.38Å; F7-F18 AromaticContact CD1-CD1 3.56Å; F7-F18 HydrophobicContact CD1-CD1 3.56Å; F7-F18 HydrophobicContact CD1-CD2 4.21Å; F7-F18 AromaticContact CD1-CE1 3.84Å; F7-F18 HydrophobicContact CD1-CE1 3.84Å; F7-F18 HydrophobicContact CD1-CE2 4.41Å; F7-F18 AromaticContact CD1-CG 3.78Å; F7-F18 HydrophobicContact CD1-CG 3.78Å; F7-F18 HydrophobicContact CD1-CZ 4.26Å; F7-F18 HydrophobicContact CD2-CD2 4.25Å; F7-F18 HydrophobicContact CD2-CE2 4.1Å; F7-F18 HydrophobicContact CD2-CZ 4.37Å; F7-F18 HydrophobicContact CE1-CB 3.66Å; F7-F18 AromaticContact CE1-CD1 3.73Å; F7-F18 HydrophobicContact CE1-CD1 3.73Å; F7-F18 AromaticContact CE1-CD2 3.96Å; F7-F18 HydrophobicContact CE1-CD2 3.96Å; F7-F18 HydrophobicContact CE1-CE1 4.41Å; F7-F18 AromaticContact CE1-CG 3.49Å; F7-F18 HydrophobicContact CE1-CG 3.49Å; F7-F18 VanDerWaalsContact CE1-CG 3.49Å; F7-F18 HydrophobicContact CE2-CD2 4.05Å; F7-F18 HydrophobicContact CE2-CE2 4.32Å; F7-F18 HydrophobicContact CE2-CG 4.41Å; F7-F18 HydrophobicContact CG-CD1 4.16Å; F7-F18 HydrophobicContact CG-CD2 4.34Å; F7-F18 HydrophobicContact CG-CE1 4.01Å; F7-F18 HydrophobicContact CG-CE2 4.16Å; F7-F18 HydrophobicContact CG-CG 4.33Å; F7-F18 HydrophobicContact CG-CZ 4.01Å; F7-F18 HydrophobicContact CZ-CB 3.98Å; F7-F18 HydrophobicContact CZ-CD1 4.48Å; F7-F18 AromaticContact CZ-CD2 3.89Å; F7-F18 HydrophobicContact CZ-CD2 3.89Å; F7-F18 AromaticContact CZ-CG 3.85Å; F7-F18 HydrophobicContact CZ-CG 3.85Å; K14-F18 WeakPolarHBondContact O-CB 3.35Å; K14-F18 PolarHBondContact O-N 2.83Å; L15-F18 PolarHBondContact O-N 3.01Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.88Å; F18-I21 PolarHBondContact O-N 2.94Å; F18-I21 VanDerWaalsContact O-N 3.13Å; F18-I22 HydrophobicContact CD1-CG2 4.43Å; F18-I22 HydrophobicContact CE1-CB 4.25Å; F18-I22 HydrophobicContact CE1-CG1 4.44Å; F18-I22 HydrophobicContact CE1-CG2 4.05Å; F18-I22 HydrophobicContact CE2-CB 4.38Å; F18-I22 HydrophobicContact CE2-CD1 4.13Å; F18-I22 HydrophobicContact CE2-CG1 4.38Å; F18-I22 HydrophobicContact CZ-CB 4.1Å; F18-I22 HydrophobicContact CZ-CD1 4.09Å; F18-I22 HydrophobicContact CZ-CG1 3.95Å; F18-I22 HydrophobicContact CZ-CG2 4.38Å; F18-I22 WeakPolarHBondContact O-CB 3.34Å; F18-I22 WeakPolarHBondContact O-CG2 3.44Å; F18-I22 PolarHBondContact O-N 3.15Å; F18-V30 HydrophobicContact CE1-CG1 3.92Å; F18-V30 HydrophobicContact CZ-CG1 4.09Å; F18-L64 HydrophobicContact CE2-CD2 3.7Å; F18-L64 HydrophobicContact CZ-CD2 4.19Å; F18-F113 AromaticContact CD2-CE1 3.87Å; F18-F113 HydrophobicContact CD2-CE1 3.87Å; F18-F113 HydrophobicContact CD2-CZ 4.16Å; F18-F113 HydrophobicContact CE2-CE1 4.21Å; F18-L176 HydrophobicContact CD2-CD1 3.76Å; F18-L176 HydrophobicContact CD2-CD2 3.9Å; F18-L176 HydrophobicContact CE2-CD1 3.6Å; F18-L176 HydrophobicContact CE2-CD2 4.26Å
19	L	92.9	Very high	90.7	Very high	94 Å²	94	56 Å²	56	49%	0.492	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-33.6	-178.5	-69.6	175	0	0	0	112.7	L15 E17	L15-L19 HydrophobicContact CD1-CD1 3.9Å; L15-L19 HydrophobicContact CD1-CD2 4.46Å; L15-L19 HydrophobicContact CD1-CG 3.89Å; L15-L19 HydrophobicContact CG-CD1 4.03Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.86Å; E17-L19 PolarHBondContact O-N 3.07Å
20	K	91.4	Very high	90.5	Very high	123 Å²	123	56.3 Å²	56.3	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-71	-31	176.2	-76.2	-178.6	178.3	-168.7	0	113.4	T16 E17 F18	T16-K20 HydrophobicContact CG2-CD 4.47Å; T16-K20 WeakPolarHBondContact O-CG 3.32Å; T16-K20 PolarHBondContact O-N 2.89Å; E17-K20 PolarHBondContact O-N 3.04Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.88Å
21	I	92.6	Very high	90.6	Very high	17 Å²	17	59 Å²	59	9%	0.087	33%	0.334	C	S	.	.	H	α-helix	trans	-93.5	-38.1	-174.7	-59	161	0	0	0	111.2	E17 F18 G23 N167 R172 L176	E17-I21 HydrophobicContact CB-CD1 4.41Å; E17-I21 WeakPolarHBondContact O-CD1 3.32Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.41Å; E17-I21 PolarHBondContact O-N 3.35Å; F18-I21 PolarHBondContact O-N 2.94Å; F18-I21 VanDerWaalsContact O-N 3.13Å; I21-G23 PolarHBondContact O-N 3.08Å; I21-N167 HydrophobicContact CD1-CB 4.32Å; I21-N167 HydrophobicContact CG1-CB 4.08Å; I21-R172 HydrophobicContact CD1-CG 4.22Å; I21-L176 HydrophobicContact CB-CD2 3.6Å; I21-L176 HydrophobicContact CG2-CB 4.09Å; I21-L176 HydrophobicContact CG2-CD2 3.59Å; I21-L176 HydrophobicContact CG2-CG 4.29Å
22	I	90.9	Very high	90.7	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-34.4	-176.2	-163.8	70	0	0	0	111.4	F18 F26 L176 K180	F18-I22 HydrophobicContact CD1-CG2 4.43Å; F18-I22 HydrophobicContact CE1-CB 4.25Å; F18-I22 HydrophobicContact CE1-CG1 4.44Å; F18-I22 HydrophobicContact CE1-CG2 4.05Å; F18-I22 HydrophobicContact CE2-CB 4.38Å; F18-I22 HydrophobicContact CE2-CD1 4.13Å; F18-I22 HydrophobicContact CE2-CG1 4.38Å; F18-I22 HydrophobicContact CZ-CB 4.1Å; F18-I22 HydrophobicContact CZ-CD1 4.09Å; F18-I22 HydrophobicContact CZ-CG1 3.95Å; F18-I22 HydrophobicContact CZ-CG2 4.38Å; F18-I22 WeakPolarHBondContact O-CB 3.34Å; F18-I22 WeakPolarHBondContact O-CG2 3.44Å; F18-I22 PolarHBondContact O-N 3.15Å; I22-F26 HydrophobicContact CD1-CD2 3.88Å; I22-F26 HydrophobicContact CD1-CE2 4.1Å; I22-F26 HydrophobicContact CD1-CG 4.17Å; I22-F26 HydrophobicContact CG1-CB 3.77Å; I22-F26 HydrophobicContact CG1-CD2 3.57Å; I22-F26 HydrophobicContact CG1-CE2 4.28Å; I22-F26 HydrophobicContact CG1-CG 3.7Å; I22-F26 VanDerWaalsContact O-CD2 3.28Å; I22-F26 WeakPolarHBondContact O-CD2 3.25Å; I22-L176 HydrophobicContact CB-CD2 4.01Å; I22-L176 HydrophobicContact CD1-CD1 3.95Å; I22-L176 HydrophobicContact CD1-CD2 4.18Å; I22-L176 HydrophobicContact CD1-CG 4.06Å; I22-K180 HydrophobicContact CD1-CG 3.84Å
23	G	87.4	Confident	90.8	Very high	31 Å²	31	56.8 Å²	56.8	32%	0.32	32%	0.32	S	S	.	.			trans	84.7	170.1	172.3	0	0	0	0	0	114.6	I21 E25 F26	I21-G23 PolarHBondContact O-N 3.08Å; G23-E25 VanDerWaalsContact C-N 3.25Å; G23-E25 PolarHBondContact O-N 3.21Å; G23-F26 PolarHBondContact O-N 3.46Å
24	E	85	Confident	91	Very high	183 Å²	183	59.5 Å²	59.5	86%	0.855	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.6	-174.3	-63.7	-176.5	169.8	0	0	113.6	F26 A27	E24-F26 PolarHBondContact O-N 2.86Å; E24-F26 VanDerWaalsContact O-N 3.11Å; E24-A27 WeakPolarHBondContact O-CB 3.02Å; E24-A27 PolarHBondContact O-N 3.44Å
25	E	85.8	Confident	90.9	Very high	85 Å²	85	60.4 Å²	60.4	40%	0.397	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.6	-18.8	177.8	69.8	-166.3	-176.7	0	0	113.4	G23 K29 K180	G23-E25 VanDerWaalsContact C-N 3.25Å; G23-E25 PolarHBondContact O-N 3.21Å; E25-K29 WeakPolarHBondContact O-CE 3.46Å; E25-K29 PolarHBondContact O-NZ 2.97Å; E25-K180 WeakPolarHBondContact OE1-CE 3.43Å; E25-K180 IonicContact OE1-NZ 2.79Å
26	F	87.2	Confident	90.8	Very high	3 Å²	3	66.2 Å²	66.2	1%	0.013	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-104.7	5.8	173.6	-65.5	-85.1	0	0	0	113.8	I22 G23 E24 G28 K29 V30 K180 L183 L184 F188	I22-F26 HydrophobicContact CD1-CD2 3.88Å; I22-F26 HydrophobicContact CD1-CE2 4.1Å; I22-F26 HydrophobicContact CD1-CG 4.17Å; I22-F26 HydrophobicContact CG1-CB 3.77Å; I22-F26 HydrophobicContact CG1-CD2 3.57Å; I22-F26 HydrophobicContact CG1-CE2 4.28Å; I22-F26 HydrophobicContact CG1-CG 3.7Å; I22-F26 VanDerWaalsContact O-CD2 3.28Å; I22-F26 WeakPolarHBondContact O-CD2 3.25Å; G23-F26 PolarHBondContact O-N 3.46Å; E24-F26 PolarHBondContact O-N 2.86Å; E24-F26 VanDerWaalsContact O-N 3.11Å; F26-G28 PolarHBondContact O-N 3.37Å; F26-K29 WeakPolarHBondContact O-CB 3.28Å; F26-K29 PolarHBondContact O-N 2.95Å; F26-V30 HydrophobicContact CB-CG2 4.02Å; F26-V30 PolarHBondContact O-N 3.39Å; F26-K180 HydrophobicContact CE2-CB 4.05Å; F26-K180 HydrophobicContact CE2-CG 3.7Å; F26-K180 HydrophobicContact CZ-CB 4.27Å; F26-K180 HydrophobicContact CZ-CG 4.27Å; F26-L183 HydrophobicContact CD1-CD1 4.26Å; F26-L183 HydrophobicContact CE1-CB 3.63Å; F26-L183 HydrophobicContact CE1-CD1 3.59Å; F26-L183 HydrophobicContact CE1-CG 4.29Å; F26-L183 HydrophobicContact CZ-CB 3.92Å; F26-L183 HydrophobicContact CZ-CD1 4.11Å; F26-L184 HydrophobicContact CZ-CD2 4.27Å; F26-L184 HydrophobicContact CZ-CG 4.1Å; F26-F188 HydrophobicContact CD1-CD2 4.15Å; F26-F188 AromaticContact CD1-CE2 3.58Å; F26-F188 HydrophobicContact CD1-CE2 3.58Å; F26-F188 HydrophobicContact CD1-CZ 4.32Å; F26-F188 AromaticContact CE1-CD2 3.72Å; F26-F188 HydrophobicContact CE1-CD2 3.72Å; F26-F188 AromaticContact CE1-CE2 3.43Å; F26-F188 HydrophobicContact CE1-CE2 3.43Å; F26-F188 VanDerWaalsContact CE1-CE2 3.43Å
27	A	82.7	Confident	90.8	Very high	76 Å²	76	63.9 Å²	63.9	63%	0.628	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.8	176.7	0	0	0	0	0	110.9	E24 K29	E24-A27 WeakPolarHBondContact O-CB 3.02Å; E24-A27 PolarHBondContact O-N 3.44Å; A27-K29 PolarHBondContact O-N 2.77Å; A27-K29 VanDerWaalsContact O-N 3.08Å
28	G	84.7	Confident	90.6	Very high	75 Å²	75	67.1 Å²	67.1	77%	0.773	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-11.2	-176.1	0	0	0	0	0	115.5	F26	F26-G28 PolarHBondContact O-N 3.37Å
29	K	87.4	Confident	90.3	Very high	77 Å²	77	70.8 Å²	70.8	34%	0.335	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-21	178.4	-59.3	-179.2	-174.8	164.2	0	113.1	L5 E25 F26 A27 F188	L5-K29 PolarHBondContact N-O 2.91Å; E25-K29 WeakPolarHBondContact O-CE 3.46Å; E25-K29 PolarHBondContact O-NZ 2.97Å; F26-K29 WeakPolarHBondContact O-CB 3.28Å; F26-K29 PolarHBondContact O-N 2.95Å; A27-K29 PolarHBondContact O-N 2.77Å; A27-K29 VanDerWaalsContact O-N 3.08Å; K29-F188 HydrophobicContact CB-CE1 3.77Å; K29-F188 HydrophobicContact CB-CZ 3.72Å; K29-F188 HydrophobicContact CD-CD1 3.76Å; K29-F188 HydrophobicContact CD-CD2 4.28Å; K29-F188 HydrophobicContact CD-CE1 3.75Å; K29-F188 HydrophobicContact CD-CE2 4.28Å; K29-F188 HydrophobicContact CD-CG 4.04Å; K29-F188 HydrophobicContact CD-CZ 4.01Å; K29-F188 HydrophobicContact CG-CD1 4.45Å; K29-F188 HydrophobicContact CG-CE1 4.05Å; K29-F188 HydrophobicContact CG-CZ 4.37Å
30	V	91.7	Very high	90.4	Very high	27 Å²	27	68.7 Å²	68.7	16%	0.164	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.6	-179.7	-172.6	0	0	0	0	110.9	L5 F7 F18 F26	L5-V30 HydrophobicContact CB-CG2 4.46Å; L5-V30 HydrophobicContact CD2-CG2 4.18Å; L5-V30 CarbonylContact O-C 3.51Å; L5-V30 WeakPolarHBondContact O-CA 3.36Å; F7-V30 HydrophobicContact CB-CG1 3.77Å; F18-V30 HydrophobicContact CE1-CG1 3.92Å; F18-V30 HydrophobicContact CZ-CG1 4.09Å; F26-V30 HydrophobicContact CB-CG2 4.02Å; F26-V30 PolarHBondContact O-N 3.39Å
31	K	94	Very high	90.5	Very high	100 Å²	100	71.4 Å²	71.4	44%	0.435	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.4	165.8	178.8	-178.5	177.1	-174.7	0	109	Q4 L5 T6 F7 V33	Q4-K31 HydrophobicContact CG-CB 4Å; L5-K31 PolarHBondContact O-N 3.11Å; T6-K31 CarbonylContact C-O 3.54Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.2Å; F7-K31 PolarHBondContact N-O 3.31Å; K31-V33 HydrophobicContact CD-CG2 4.26Å; K31-V33 HydrophobicContact CG-CG2 4.21Å
32	T	94.4	Very high	90.7	Very high	66 Å²	66	72.1 Å²	72.1	41%	0.405	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.7	176.8	58.6	0	0	0	0	109.6	F7 L15	F7-T32 WeakPolarHBondContact O-CA 3.48Å; L15-T32 HydrophobicContact CD1-CG2 3.47Å; L15-T32 VanDerWaalsContact CD1-CG2 3.47Å
33	V	96.2	Very high	91	Very high	31 Å²	31	74 Å²	74	19%	0.188	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	176.9	-176.8	0	0	0	0	109.5	T6 F7 V8 T9 K31 L35 I59	T6-V33 HydrophobicContact CG2-CB 4.02Å; T6-V33 HydrophobicContact CG2-CG2 3.52Å; F7-V33 PolarHBondContact O-N 3.32Å; V8-V33 VanDerWaalsContact CA-O 3.28Å; V8-V33 WeakPolarHBondContact CA-O 3.45Å; T9-V33 PolarHBondContact N-O 2.85Å; K31-V33 HydrophobicContact CD-CG2 4.26Å; K31-V33 HydrophobicContact CG-CG2 4.21Å; V33-L35 HydrophobicContact CG1-CD1 4.39Å; V33-L35 HydrophobicContact CG1-CD2 4.04Å; V33-L35 HydrophobicContact CG1-CG 3.81Å; V33-I59 HydrophobicContact CB-CD1 4.36Å; V33-I59 HydrophobicContact CG1-CD1 4.19Å; V33-I59 HydrophobicContact CG2-CD1 4.25Å
34	D	95.8	Very high	91.5	Very high	116 Å²	116	73.9 Å²	73.9	62%	0.62	42%	0.419	S	S	*	.			trans	-89.5	117.6	168.8	-172.9	-4	0	0	0	108.8	G10	G10-D34 VanDerWaalsContact CA-CG 3.44Å; G10-D34 WeakPolarHBondContact CA-OD1 3.31Å
35	L	93.7	Very high	92.1	Very high	42 Å²	42	69.4 Å²	69.4	22%	0.22	40%	0.398	C	S	.	.			trans	-133.5	133.6	172.6	-64.7	177	0	0	0	108.7	V8 V33 L37 I58 I59	V8-L35 HydrophobicContact CG1-CB 3.72Å; V8-L35 HydrophobicContact CG1-CD1 3.96Å; V8-L35 HydrophobicContact CG1-CG 3.99Å; V8-L35 HydrophobicContact CG2-CD1 4.44Å; V33-L35 HydrophobicContact CG1-CD1 4.39Å; V33-L35 HydrophobicContact CG1-CD2 4.04Å; V33-L35 HydrophobicContact CG1-CG 3.81Å; L35-L37 HydrophobicContact CB-CD2 4.14Å; L35-L37 HydrophobicContact CB-CG 4.13Å; L35-L37 HydrophobicContact CD1-CD2 4.49Å; L35-L37 PolarHBondContact O-N 3.27Å; L35-I58 HydrophobicContact CD1-CB 4.1Å; L35-I58 HydrophobicContact CD1-CD1 4.21Å; L35-I58 HydrophobicContact CD1-CG2 3.79Å; L35-I58 HydrophobicContact CD2-CG2 4.18Å; L35-I59 HydrophobicContact CD1-CD1 3.86Å; L35-I59 HydrophobicContact CD1-CG1 4.11Å
36	D	90.3	Very high	92.6	Very high	162 Å²	162	69.2 Å²	69.2	87%	0.866	40%	0.4	S	S	*	.			trans	-77.2	117.7	164.2	-167.6	25.7	0	0	0	108.7
37	L	92.9	Very high	93.1	Very high	14 Å²	14	69.4 Å²	69.4	7%	0.073	40%	0.401	C	S	.	.			trans	-119.6	143.5	-174.8	-64.5	172.8	0	0	0	109.4	V8 L35 E39 K51 A55 I58 I65	V8-L37 HydrophobicContact CG1-CD1 3.91Å; L35-L37 HydrophobicContact CB-CD2 4.14Å; L35-L37 HydrophobicContact CB-CG 4.13Å; L35-L37 HydrophobicContact CD1-CD2 4.49Å; L35-L37 PolarHBondContact O-N 3.27Å; L37-E39 PolarHBondContact O-N 2.8Å; L37-K51 HydrophobicContact CB-CG 4.15Å; L37-K51 HydrophobicContact CD1-CG 3.8Å; L37-A55 HydrophobicContact CD1-CB 3.8Å; L37-A55 HydrophobicContact CD2-CB 4.35Å; L37-I58 HydrophobicContact CD2-CD1 3.94Å; L37-I65 HydrophobicContact CD1-CG2 4.36Å
38	P	90.3	Very high	93.9	Very high	82 Å²	82	65.8 Å²	65.8	53%	0.532	37%	0.371	S	S	.	.			trans	-57	126.4	175.9	-23.9	33.6	0	0	0	112.1
39	E	88.8	Confident	94.5	Very high	76 Å²	76	64.5 Å²	64.5	36%	0.355	35%	0.346	S	S	.	.			trans	-91.1	101	167.1	-71.1	179.8	-163.8	0	0	108.2	L37 K84 W85	L37-E39 PolarHBondContact O-N 2.8Å; E39-K84 IonicContact OE1-NZ 3.44Å; E39-K84 PolarHBondContact OE1-NZ 3.42Å; E39-W85 PolarHBondContact OE2-NE1 2.75Å
40	V	94.6	Very high	95	Very high	51 Å²	51	64.9 Å²	64.9	31%	0.309	35%	0.349	S	S	.	.			trans	-75.2	163.6	177.4	-61	0	0	0	0	111.6	V47 Q50	V40-V47 HydrophobicContact CG2-CG2 4.34Å; V40-V47 WeakPolarHBondContact O-CG2 3.28Å; V40-Q50 HydrophobicContact CG1-CB 4.05Å; V40-Q50 HydrophobicContact CG1-CG 4.37Å; V40-Q50 HydrophobicContact CG2-CB 3.74Å; V40-Q50 HydrophobicContact CG2-CG 3.95Å
41	Q	95	Very high	95.3	Very high	180 Å²	180	65 Å²	65	84%	0.841	35%	0.347	S	S	*	.	S	Bend	trans	-87.3	137.2	167.5	-63.2	175.3	6.6	0	0	109.6	F82	Q41-F82 HydrophobicContact CB-CE1 4.42Å; Q41-F82 HydrophobicContact CB-CZ 4.39Å; Q41-F82 HydrophobicContact CG-CE1 4.33Å
42	G	95.8	Very high	95.4	Very high	31 Å²	31	60.2 Å²	60.2	32%	0.32	33%	0.327	S	S	.	.	S	Bend	trans	163.7	-163.3	176.8	0	0	0	0	0	112.4
43	S	96.8	Very high	95.6	Very high	47 Å²	47	58.9 Å²	58.9	33%	0.329	32%	0.317	S	S	.	.			trans	-67.1	171	168.9	65.2	0	0	0	0	111.7	E45 D46 V47	S43-E45 PolarHBondContact O-N 3.3Å; S43-D46 WeakPolarHBondContact CB-OD2 3.34Å; S43-D46 PolarHBondContact N-OD2 2.94Å; S43-D46 PolarHBondContact O-N 3.43Å; S43-D46 PolarHBondContact OG-N 2.99Å; S43-D46 PolarHBondContact OG-OD2 3.43Å; S43-V47 WeakPolarHBondContact O-CG2 3.4Å; S43-V47 PolarHBondContact O-N 3.49Å
44	I	97.7	Very high	95.6	Very high	27 Å²	27	58.7 Å²	58.7	14%	0.138	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-39.8	174.2	-64.8	172.8	0	0	0	109.8	S48 A69 P81 V110 T112	I44-S48 VanDerWaalsContact O-CB 3.3Å; I44-S48 WeakPolarHBondContact O-CB 3.38Å; I44-S48 PolarHBondContact O-N 2.92Å; I44-S48 PolarHBondContact O-OG 2.97Å; I44-A69 HydrophobicContact CD1-CB 3.61Å; I44-A69 HydrophobicContact CG1-CB 3.86Å; I44-P81 HydrophobicContact CG1-CG 4.37Å; I44-V110 HydrophobicContact CD1-CB 4.32Å; I44-V110 HydrophobicContact CD1-CG1 4.08Å; I44-V110 HydrophobicContact CD1-CG2 4.44Å; I44-T112 VanDerWaalsContact CG2-OG1 3.24Å; I44-T112 WeakPolarHBondContact CG2-OG1 3.48Å
45	E	97.8	Very high	95.7	Very high	90 Å²	90	53.1 Å²	53.1	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-50	177.2	-65.4	79	-178.1	0	0	111.3	S43 V47 S48 I49 L125	S43-E45 PolarHBondContact O-N 3.3Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-N 3.28Å; E45-I49 WeakPolarHBondContact O-CB 3.41Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; E45-I49 PolarHBondContact O-N 3.36Å; E45-L125 HydrophobicContact CB-CD1 3.89Å; E45-L125 HydrophobicContact CG-CD1 3.82Å
46	D	97.7	Very high	95.9	Very high	80 Å²	80	52 Å²	52	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-46.5	179.8	-63.3	-45.7	0	0	0	111.5	S43 S48 I49 Q50	S43-D46 WeakPolarHBondContact CB-OD2 3.34Å; S43-D46 PolarHBondContact N-OD2 2.94Å; S43-D46 PolarHBondContact O-N 3.43Å; S43-D46 PolarHBondContact OG-N 2.99Å; S43-D46 PolarHBondContact OG-OD2 3.43Å; D46-S48 PolarHBondContact O-N 3.49Å; D46-I49 PolarHBondContact O-N 3.48Å; D46-Q50 WeakPolarHBondContact O-CB 3.32Å; D46-Q50 WeakPolarHBondContact O-CG 3.34Å; D46-Q50 PolarHBondContact O-N 2.56Å
47	V	97.7	Very high	96.1	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-48.2	178	173.9	0	0	0	0	110.1	V40 S43 E45 K51 P81	V40-V47 HydrophobicContact CG2-CG2 4.34Å; V40-V47 WeakPolarHBondContact O-CG2 3.28Å; S43-V47 WeakPolarHBondContact O-CG2 3.4Å; S43-V47 PolarHBondContact O-N 3.49Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.04Å; V47-K51 WeakPolarHBondContact O-CB 3.48Å; V47-K51 PolarHBondContact O-N 3.44Å; V47-P81 HydrophobicContact CG2-CB 4.08Å; V47-P81 HydrophobicContact CG2-CG 4.16Å
48	S	97.8	Very high	96.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-42.6	-178.3	-58.4	0	0	0	0	112.1	I44 E45 D46 C52	I44-S48 VanDerWaalsContact O-CB 3.3Å; I44-S48 WeakPolarHBondContact O-CB 3.38Å; I44-S48 PolarHBondContact O-N 2.92Å; I44-S48 PolarHBondContact O-OG 2.97Å; E45-S48 PolarHBondContact O-N 3.28Å; D46-S48 PolarHBondContact O-N 3.49Å; S48-C52 WeakPolarHBondContact O-CB 3.37Å; S48-C52 PolarHBondContact O-N 2.98Å
49	I	98.1	Very high	96.5	Very high	48 Å²	48	53.9 Å²	53.9	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-51.8	178.6	-69.5	167.4	0	0	0	110.4	E45 D46 K51 C52 L53 V123 L125	E45-I49 WeakPolarHBondContact O-CB 3.41Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; E45-I49 PolarHBondContact O-N 3.36Å; D46-I49 PolarHBondContact O-N 3.48Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 2.97Å; I49-C52 WeakPolarHBondContact O-CB 3.35Å; I49-C52 PolarHBondContact O-N 3.47Å; I49-L53 HydrophobicContact CG2-CD1 3.88Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.13Å; I49-L53 PolarHBondContact O-N 3.1Å; I49-V123 HydrophobicContact CG1-CB 4.31Å; I49-V123 HydrophobicContact CG1-CG1 4.38Å; I49-V123 HydrophobicContact CG2-CB 4.49Å; I49-V123 HydrophobicContact CG2-CG2 4.18Å; I49-L125 HydrophobicContact CD1-CD1 4.1Å; I49-L125 HydrophobicContact CG1-CD1 4.05Å; I49-L125 HydrophobicContact CG1-CD2 4.06Å; I49-L125 HydrophobicContact CG1-CG 4.37Å
50	Q	97.7	Very high	96.7	Very high	85 Å²	85	56.8 Å²	56.8	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-38.7	-177	-69	-57.7	-40.7	0	0	112.2	V40 D46 S54	V40-Q50 HydrophobicContact CG1-CB 4.05Å; V40-Q50 HydrophobicContact CG1-CG 4.37Å; V40-Q50 HydrophobicContact CG2-CB 3.74Å; V40-Q50 HydrophobicContact CG2-CG 3.95Å; D46-Q50 WeakPolarHBondContact O-CB 3.32Å; D46-Q50 WeakPolarHBondContact O-CG 3.34Å; D46-Q50 PolarHBondContact O-N 2.56Å; Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.93Å; Q50-S54 PolarHBondContact O-OG 2.97Å
51	K	97.4	Very high	96.7	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-43.9	173.8	-171.2	178.4	-172.4	-175.3	0	111.5	L37 V47 I49 S54 A55 I65 E66 D67	L37-K51 HydrophobicContact CB-CG 4.15Å; L37-K51 HydrophobicContact CD1-CG 3.8Å; V47-K51 WeakPolarHBondContact O-CB 3.48Å; V47-K51 PolarHBondContact O-N 3.44Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 2.97Å; K51-S54 PolarHBondContact O-N 2.86Å; K51-A55 PolarHBondContact O-N 3.21Å; K51-I65 HydrophobicContact CB-CD1 4.46Å; K51-I65 HydrophobicContact CD-CD1 4.21Å; K51-I65 HydrophobicContact CG-CD1 4.46Å; K51-I65 HydrophobicContact CG-CG1 4.38Å; K51-E66 PolarHBondContact NZ-O 3.22Å; K51-D67 IonicContact NZ-OD1 2.89Å; K51-D67 PolarHBondContact NZ-OD1 3.22Å
52	C	97.9	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-47.1	177.8	-169	0	0	0	0	112.2	S48 I49 S54 A55 F56 I65 A114 C116 V123	S48-C52 WeakPolarHBondContact O-CB 3.37Å; S48-C52 PolarHBondContact O-N 2.98Å; I49-C52 WeakPolarHBondContact O-CB 3.35Å; I49-C52 PolarHBondContact O-N 3.47Å; C52-S54 VanDerWaalsContact C-N 3.29Å; C52-S54 PolarHBondContact O-N 2.82Å; C52-A55 WeakPolarHBondContact O-CB 3.47Å; C52-A55 PolarHBondContact O-N 2.9Å; C52-F56 PolarHBondContact O-N 3.43Å; C52-I65 HydrophobicContact CB-CD1 4.46Å; C52-I65 HydrophobicContact CB-CG1 3.73Å; C52-A114 HydrophobicContact CB-CB 3.69Å; C52-A114 PolarHBondContact SG-O 3.47Å; C52-C116 VanDerWaalsContact SG-CB 3.57Å; C52-V123 HydrophobicContact CB-CG1 4.04Å
53	L	97.6	Very high	96.7	Very high	39 Å²	39	45.8 Å²	45.8	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-36.3	177	-68.6	175.8	0	0	0	112.1	I49 F56 K57 L119 V123	I49-L53 HydrophobicContact CG2-CD1 3.88Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.13Å; I49-L53 PolarHBondContact O-N 3.1Å; L53-F56 PolarHBondContact O-N 2.75Å; L53-K57 VanDerWaalsContact O-CG 3.31Å; L53-K57 WeakPolarHBondContact O-CG 3.41Å; L53-K57 PolarHBondContact O-N 3.25Å; L53-K57 VanDerWaalsContact O-N 3.08Å; L53-L119 HydrophobicContact CD2-CD2 4.01Å; L53-V123 HydrophobicContact CD2-CG2 3.69Å; L53-V123 HydrophobicContact CG-CG2 3.91Å
54	S	97	Very high	96.8	Very high	26 Å²	26	43.5 Å²	43.5	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-43.4	174.7	-60.1	0	0	0	0	111.5	Q50 K51 C52 K57 I58	Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.93Å; Q50-S54 PolarHBondContact O-OG 2.97Å; K51-S54 PolarHBondContact O-N 2.86Å; C52-S54 VanDerWaalsContact C-N 3.29Å; C52-S54 PolarHBondContact O-N 2.82Å; S54-K57 PolarHBondContact O-N 3.02Å; S54-I58 PolarHBondContact O-N 3.22Å
55	A	97.4	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-45.9	173.6	0	0	0	0	0	111.7	V8 L37 K51 C52 K57 I58 I59 V63 I65	V8-A55 HydrophobicContact CB-CB 4.46Å; V8-A55 HydrophobicContact CG2-CB 4.24Å; L37-A55 HydrophobicContact CD1-CB 3.8Å; L37-A55 HydrophobicContact CD2-CB 4.35Å; K51-A55 PolarHBondContact O-N 3.21Å; C52-A55 WeakPolarHBondContact O-CB 3.47Å; C52-A55 PolarHBondContact O-N 2.9Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 2.96Å; A55-I58 PolarHBondContact O-N 2.99Å; A55-I58 VanDerWaalsContact O-N 3.12Å; A55-I59 WeakPolarHBondContact O-CB 3.38Å; A55-I59 WeakPolarHBondContact O-CG1 3.21Å; A55-I59 PolarHBondContact O-N 3.16Å; A55-V63 HydrophobicContact CB-CB 4.44Å; A55-V63 HydrophobicContact CB-CG1 4.38Å; A55-V63 HydrophobicContact CB-CG2 4.39Å; A55-I65 HydrophobicContact CB-CG2 3.9Å
56	F	96.8	Very high	96.8	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-42.5	-179.8	-176.3	-90.7	0	0	0	111.9	C52 L53 I58 I59 N60 G61 V63 C116 D117 L119	C52-F56 PolarHBondContact O-N 3.43Å; L53-F56 PolarHBondContact O-N 2.75Å; F56-I58 PolarHBondContact O-N 3.42Å; F56-I59 PolarHBondContact O-N 3.49Å; F56-N60 WeakPolarHBondContact O-CA 3.5Å; F56-N60 PolarHBondContact O-N 3.41Å; F56-G61 WeakPolarHBondContact CD2-O 3.15Å; F56-G61 WeakPolarHBondContact CE2-O 3.36Å; F56-V63 HydrophobicContact CB-CG2 3.77Å; F56-V63 HydrophobicContact CD2-CG2 4.13Å; F56-V63 HydrophobicContact CG-CG2 4.47Å; F56-C116 HydrophobicContact CB-CB 4.45Å; F56-C116 HydrophobicContact CD2-CB 4.2Å; F56-D117 VanDerWaalsContact CE2-C 3.48Å; F56-L119 HydrophobicContact CD1-CD2 3.65Å; F56-L119 HydrophobicContact CD1-CG 3.93Å; F56-L119 HydrophobicContact CE1-CD1 4.35Å; F56-L119 HydrophobicContact CE1-CD2 3.94Å; F56-L119 HydrophobicContact CE1-CG 3.67Å
57	K	96	Very high	96.7	Very high	152 Å²	152	34.8 Å²	34.8	66%	0.661	18%	0.179	S	C	*	.	H	α-helix	trans	-60.2	-32	177.4	-74.1	170.7	-176.8	176.3	0	113.4	L53 S54 A55	L53-K57 VanDerWaalsContact O-CG 3.31Å; L53-K57 WeakPolarHBondContact O-CG 3.41Å; L53-K57 PolarHBondContact O-N 3.25Å; L53-K57 VanDerWaalsContact O-N 3.08Å; S54-K57 PolarHBondContact O-N 3.02Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 2.96Å
58	I	96.1	Very high	96.7	Very high	102 Å²	102	35.5 Å²	35.5	52%	0.523	18%	0.183	S	C	.	.	H	α-helix	trans	-85.1	-46.1	-179.6	-62.7	167.7	0	0	0	110.8	L35 L37 S54 A55 F56	L35-I58 HydrophobicContact CD1-CB 4.1Å; L35-I58 HydrophobicContact CD1-CD1 4.21Å; L35-I58 HydrophobicContact CD1-CG2 3.79Å; L35-I58 HydrophobicContact CD2-CG2 4.18Å; L37-I58 HydrophobicContact CD2-CD1 3.94Å; S54-I58 PolarHBondContact O-N 3.22Å; A55-I58 PolarHBondContact O-N 2.99Å; A55-I58 VanDerWaalsContact O-N 3.12Å; F56-I58 PolarHBondContact O-N 3.42Å
59	I	95.3	Very high	96.7	Very high	44 Å²	44	35.6 Å²	35.6	23%	0.226	18%	0.183	C	C	.	.	H	α-helix	trans	-76.2	-31.8	-175.7	-63.1	-57.9	0	0	0	112.1	T6 V8 V33 L35 A55 F56 G61 V63	T6-I59 HydrophobicContact CG2-CD1 4.02Å; T6-I59 HydrophobicContact CG2-CG1 4.16Å; T6-I59 HydrophobicContact CG2-CG2 4.14Å; V8-I59 HydrophobicContact CG2-CG1 4.14Å; V33-I59 HydrophobicContact CB-CD1 4.36Å; V33-I59 HydrophobicContact CG1-CD1 4.19Å; V33-I59 HydrophobicContact CG2-CD1 4.25Å; L35-I59 HydrophobicContact CD1-CD1 3.86Å; L35-I59 HydrophobicContact CD1-CG1 4.11Å; A55-I59 WeakPolarHBondContact O-CB 3.38Å; A55-I59 WeakPolarHBondContact O-CG1 3.21Å; A55-I59 PolarHBondContact O-N 3.16Å; F56-I59 PolarHBondContact O-N 3.49Å; I59-G61 PolarHBondContact O-N 3.06Å; I59-V63 HydrophobicContact CB-CG1 3.59Å; I59-V63 HydrophobicContact CG1-CG1 3.79Å; I59-V63 HydrophobicContact CG2-CG1 3.76Å
60	N	93.2	Very high	96.7	Very high	138 Å²	138	33.3 Å²	33.3	74%	0.738	17%	0.172	S	C	*	.			trans	52.9	49.1	-176.3	-167.8	37.3	0	0	0	113	F56	F56-N60 WeakPolarHBondContact O-CA 3.5Å; F56-N60 PolarHBondContact O-N 3.41Å
61	G	93.1	Very high	96.8	Very high	17 Å²	17	29.9 Å²	29.9	18%	0.175	16%	0.157	C	C	.	.	S	Bend	trans	-175.4	-180	-179.6	0	0	0	0	0	111.1	F56 I59 V63	F56-G61 WeakPolarHBondContact CD2-O 3.15Å; F56-G61 WeakPolarHBondContact CE2-O 3.36Å; I59-G61 PolarHBondContact O-N 3.06Å; G61-V63 WeakPolarHBondContact O-CG1 3.34Å; G61-V63 PolarHBondContact O-N 3.13Å; G61-V63 VanDerWaalsContact O-N 3.15Å
62	P	95.4	Very high	96.8	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.084	15%	0.151	C	C	.	.			trans	-53.7	119.1	179.2	-30.1	39.1	0	0	0	112.5	R3 L5 T6 Y115 C116 D117	R3-P62 HydrophobicContact CB-CG 4.15Å; R3-P62 HydrophobicContact CG-CG 4.3Å; L5-P62 HydrophobicContact CD1-CB 4.19Å; T6-P62 PolarHBondContact N-O 2.91Å; P62-Y115 HydrophobicContact CB-CE2 4.16Å; P62-C116 WeakPolarHBondContact CA-O 3.43Å; P62-D117 HydrophobicContact CG-CB 4.41Å
63	V	97.1	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.3	179.1	-66.3	0	0	0	0	111.7	T6 A55 F56 I59 G61 Y115 C116	T6-V63 CarbonylContact O-C 3.48Å; T6-V63 WeakPolarHBondContact O-CA 3.41Å; A55-V63 HydrophobicContact CB-CB 4.44Å; A55-V63 HydrophobicContact CB-CG1 4.38Å; A55-V63 HydrophobicContact CB-CG2 4.39Å; F56-V63 HydrophobicContact CB-CG2 3.77Å; F56-V63 HydrophobicContact CD2-CG2 4.13Å; F56-V63 HydrophobicContact CG-CG2 4.47Å; I59-V63 HydrophobicContact CB-CG1 3.59Å; I59-V63 HydrophobicContact CG1-CG1 3.79Å; I59-V63 HydrophobicContact CG2-CG1 3.76Å; G61-V63 WeakPolarHBondContact O-CG1 3.34Å; G61-V63 PolarHBondContact O-N 3.13Å; G61-V63 VanDerWaalsContact O-N 3.15Å; V63-Y115 WeakPolarHBondContact O-CA 3.39Å; V63-Y115 WeakPolarHBondContact O-CD2 3.38Å; V63-C116 HydrophobicContact CG2-CB 4.03Å; V63-C116 PolarHBondContact N-O 3.4Å; V63-C116 PolarHBondContact O-N 2.86Å; V63-C116 VanDerWaalsContact O-N 3.1Å
64	L	97.7	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.8	168	-173.5	71.7	0	0	0	108	L5 T6 F7 V8 F18 F113 A114 Y115 V179	L5-L64 HydrophobicContact CD1-CB 4.07Å; L5-L64 HydrophobicContact CD2-CB 4.42Å; L5-L64 HydrophobicContact CD2-CD2 4.36Å; L5-L64 HydrophobicContact CG-CB 4.39Å; T6-L64 PolarHBondContact O-N 3.48Å; F7-L64 CarbonylContact C-O 3.58Å; F7-L64 WeakPolarHBondContact CA-O 3.5Å; F7-L64 HydrophobicContact CD2-CB 4.3Å; F7-L64 HydrophobicContact CD2-CD2 4.15Å; F7-L64 HydrophobicContact CD2-CG 4.2Å; F7-L64 WeakPolarHBondContact CD2-O 3.36Å; V8-L64 PolarHBondContact N-O 3.47Å; F18-L64 HydrophobicContact CE2-CD2 3.7Å; F18-L64 HydrophobicContact CZ-CD2 4.19Å; L64-F113 HydrophobicContact CD1-CB 4.08Å; L64-F113 HydrophobicContact CD1-CD1 4.04Å; L64-F113 HydrophobicContact CD1-CG 4.5Å; L64-F113 HydrophobicContact CD2-CD1 3.91Å; L64-F113 HydrophobicContact CD2-CE1 4.28Å; L64-F113 HydrophobicContact CG-CD1 3.86Å; L64-A114 WeakPolarHBondContact CA-O 3.32Å; L64-Y115 HydrophobicContact CD1-CD2 4.48Å; L64-V179 HydrophobicContact CD1-CG1 4.09Å; L64-V179 HydrophobicContact CD1-CG2 4.32Å; L64-V179 HydrophobicContact CD2-CG1 3.97Å
65	I	97.8	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	164.9	168.5	61.9	79.3	0	0	0	109.8	V8 L37 K51 C52 A55 F113 A114	V8-I65 HydrophobicContact CB-CG2 3.95Å; L37-I65 HydrophobicContact CD1-CG2 4.36Å; K51-I65 HydrophobicContact CB-CD1 4.46Å; K51-I65 HydrophobicContact CD-CD1 4.21Å; K51-I65 HydrophobicContact CG-CD1 4.46Å; K51-I65 HydrophobicContact CG-CG1 4.38Å; C52-I65 HydrophobicContact CB-CD1 4.46Å; C52-I65 HydrophobicContact CB-CG1 3.73Å; A55-I65 HydrophobicContact CB-CG2 3.9Å; I65-F113 VanDerWaalsContact O-CA 3.27Å; I65-F113 WeakPolarHBondContact O-CA 3.35Å; I65-F113 WeakPolarHBondContact O-CD1 3.34Å; I65-A114 HydrophobicContact CD1-CB 3.58Å; I65-A114 HydrophobicContact CG1-CB 3.9Å; I65-A114 PolarHBondContact N-O 3.49Å; I65-A114 PolarHBondContact O-N 3.34Å
66	E	97.1	Very high	96.9	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151	162.5	61.6	158.3	-118.4	0	0	112.3	F7 K14 K51 T112 F113 R172	F7-E66 HydrophobicContact CE2-CB 4.46Å; F7-E66 HydrophobicContact CE2-CG 4.08Å; F7-E66 HydrophobicContact CZ-CG 3.97Å; K14-E66 WeakPolarHBondContact CB-OE1 3.31Å; K14-E66 WeakPolarHBondContact CD-OE1 3.38Å; K14-E66 WeakPolarHBondContact CE-OE1 3.23Å; K14-E66 WeakPolarHBondContact CG-OE1 3.45Å; K14-E66 IonicContact NZ-OE1 3.52Å; K14-E66 PolarHBondContact NZ-OE1 3.26Å; K51-E66 PolarHBondContact NZ-O 3.22Å; E66-T112 CarbonylContact C-O 3.5Å; E66-T112 WeakPolarHBondContact CA-O 2.91Å; E66-F113 HydrophobicContact CB-CD1 3.84Å; E66-F113 HydrophobicContact CB-CE1 3.66Å; E66-F113 HydrophobicContact CB-CE2 4.45Å; E66-F113 HydrophobicContact CB-CG 4.32Å; E66-F113 HydrophobicContact CB-CZ 3.96Å; E66-F113 HydrophobicContact CG-CE1 4.3Å; E66-F113 WeakPolarHBondContact OE2-CZ 3.45Å; E66-R172 IonicContact OE1-CZ 2.75Å; E66-R172 IonicContact OE1-NE 3.51Å; E66-R172 PolarHBondContact OE1-NE 2.77Å; E66-R172 IonicContact OE1-NH2 3.84Å; E66-R172 PolarHBondContact OE1-NH2 3.42Å; E66-R172 IonicContact OE2-CZ 3.83Å; E66-R172 IonicContact OE2-NE 3.63Å; E66-R172 PolarHBondContact OE2-NE 2.97Å; E66-R172 IonicContact OE2-NH2 3.51Å
67	D	96.6	Very high	97	Very high	11 Å²	11	41 Å²	41	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.4	165.7	-147.9	67.1	0	0	0	111.1	K51 C111 T112	K51-D67 IonicContact NZ-OD1 2.89Å; K51-D67 PolarHBondContact NZ-OD1 3.22Å; D67-C111 WeakPolarHBondContact O-CA 3.45Å; D67-T112 PolarHBondContact N-O 3.31Å; D67-T112 PolarHBondContact O-N 3.34Å
68	T	97.1	Very high	97.1	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.135	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	-172.4	46.6	0	0	0	0	109.7	K14 V110	K14-T68 PolarHBondContact NZ-OG1 3.38Å; T68-V110 CarbonylContact C-O 3.58Å; T68-V110 WeakPolarHBondContact CA-O 3.49Å
69	A	98.3	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.8	177.4	0	0	0	0	0	110.7	I44 G80 V110	I44-A69 HydrophobicContact CD1-CB 3.61Å; I44-A69 HydrophobicContact CG1-CB 3.86Å; A69-G80 WeakPolarHBondContact CA-O 3.37Å; A69-G80 WeakPolarHBondContact CB-O 3.35Å; A69-V110 HydrophobicContact CB-CB 4.17Å; A69-V110 PolarHBondContact N-O 3.3Å; A69-V110 PolarHBondContact O-N 3Å
70	L	98.8	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.3	169.2	-171.2	63.7	0	0	0	108.2	F72 G80 I83 A107 A109 I134 W145 I148 F149	L70-F72 HydrophobicContact CD2-CE1 3.56Å; L70-F72 HydrophobicContact CD2-CZ 4.19Å; L70-F72 HydrophobicContact CG-CD1 4.23Å; L70-F72 HydrophobicContact CG-CE1 3.68Å; L70-G80 PolarHBondContact N-O 2.89Å; L70-G80 VanDerWaalsContact N-O 3.14Å; L70-G80 WeakPolarHBondContact O-CA 3.48Å; L70-G80 PolarHBondContact O-N 3.13Å; L70-I83 HydrophobicContact CB-CB 3.99Å; L70-I83 HydrophobicContact CB-CD1 3.96Å; L70-I83 HydrophobicContact CB-CG1 3.62Å; L70-I83 HydrophobicContact CB-CG2 4.23Å; L70-I83 HydrophobicContact CD2-CD1 3.89Å; L70-I83 HydrophobicContact CD2-CG1 4.09Å; L70-I83 HydrophobicContact CG-CD1 4.45Å; L70-I83 HydrophobicContact CG-CG1 4.5Å; L70-A107 HydrophobicContact CD1-CB 4.33Å; L70-A109 HydrophobicContact CD1-CB 4.4Å; L70-I134 HydrophobicContact CD1-CD1 4.22Å; L70-I134 HydrophobicContact CD2-CD1 3.84Å; L70-I134 HydrophobicContact CG-CD1 4.24Å; L70-W145 HydrophobicContact CB-CD2 4.27Å; L70-W145 HydrophobicContact CB-CZ2 4.19Å; L70-W145 HydrophobicContact CD1-CD2 4.25Å; L70-W145 HydrophobicContact CD1-CE3 3.93Å; L70-W145 HydrophobicContact CD1-CH2 3.99Å; L70-W145 HydrophobicContact CD1-CZ2 4.27Å; L70-W145 HydrophobicContact CD1-CZ3 3.81Å; L70-W145 HydrophobicContact CD2-CB 4.1Å; L70-W145 HydrophobicContact CD2-CD2 3.7Å; L70-W145 HydrophobicContact CD2-CE3 3.9Å; L70-W145 HydrophobicContact CD2-CG 3.79Å; L70-W145 HydrophobicContact CG-CD2 4.3Å; L70-W145 HydrophobicContact CG-CE3 4.42Å; L70-I148 HydrophobicContact CD2-CD1 4.37Å; L70-F149 HydrophobicContact CD1-CD2 3.73Å; L70-F149 HydrophobicContact CD1-CE2 4.19Å; L70-F149 HydrophobicContact CD1-CG 4.48Å
71	C	98.7	Very high	97.5	Very high	13 Å²	13	26 Å²	26	9%	0.088	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.3	-166	-58.9	0	0	0	0	109.9	G77 A107 D108	C71-G77 VanDerWaalsContact CA-O 3.29Å; C71-G77 WeakPolarHBondContact CA-O 3.35Å; C71-G77 WeakPolarHBondContact CB-O 3.46Å; C71-A107 CarbonylContact O-C 3.57Å; C71-A107 WeakPolarHBondContact O-CA 3.36Å; C71-D108 HydrophobicContact CB-CB 4.31Å; C71-D108 PolarHBondContact N-O 2.86Å; C71-D108 PolarHBondContact O-N 3.24Å
72	F	98.7	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.8	178.2	-53.3	-25.1	0	0	0	109.7	L70 A74 L75 N76 G77 M78 P79 I83 L95 L99 A107 I134	L70-F72 HydrophobicContact CD2-CE1 3.56Å; L70-F72 HydrophobicContact CD2-CZ 4.19Å; L70-F72 HydrophobicContact CG-CD1 4.23Å; L70-F72 HydrophobicContact CG-CE1 3.68Å; F72-A74 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.35Å; F72-L75 HydrophobicContact CB-CB 4.34Å; F72-L75 HydrophobicContact CB-CG 4.34Å; F72-L75 HydrophobicContact CD2-CD1 3.84Å; F72-L75 HydrophobicContact CD2-CG 4.43Å; F72-L75 CarbonylContact O-C 3.53Å; F72-L75 PolarHBondContact O-N 3.03Å; F72-L75 VanDerWaalsContact O-N 3.17Å; F72-N76 PolarHBondContact O-N 2.84Å; F72-G77 WeakPolarHBondContact O-CA 3.46Å; F72-G77 PolarHBondContact O-N 2.83Å; F72-M78 VanDerWaalsContact CB-O 3.24Å; F72-M78 WeakPolarHBondContact CB-O 3.4Å; F72-M78 WeakPolarHBondContact CG-O 3.36Å; F72-M78 PolarHBondContact N-O 3.32Å; F72-P79 HydrophobicContact CE2-CG 4.32Å; F72-I83 HydrophobicContact CZ-CD1 4.2Å; F72-L95 HydrophobicContact CE2-CD2 4.41Å; F72-L95 HydrophobicContact CZ-CB 4.31Å; F72-L95 HydrophobicContact CZ-CD2 4.22Å; F72-L99 HydrophobicContact CB-CD2 3.91Å; F72-L99 HydrophobicContact CD1-CD1 4.42Å; F72-L99 HydrophobicContact CD2-CD1 4.18Å; F72-L99 HydrophobicContact CD2-CD2 3.68Å; F72-L99 HydrophobicContact CD2-CG 4.21Å; F72-L99 HydrophobicContact CE2-CD1 4.44Å; F72-L99 HydrophobicContact CE2-CD2 4.43Å; F72-L99 HydrophobicContact CG-CD1 4.17Å; F72-L99 HydrophobicContact CG-CD2 3.99Å; F72-A107 HydrophobicContact CD1-CB 3.89Å; F72-I134 HydrophobicContact CD1-CD1 4.04Å; F72-I134 HydrophobicContact CD1-CG1 3.77Å; F72-I134 HydrophobicContact CE1-CD1 3.55Å; F72-I134 HydrophobicContact CE1-CG1 3.58Å; F72-I134 HydrophobicContact CZ-CG1 4.41Å
73	K	98.6	Very high	97.8	Very high	96 Å²	96	26.9 Å²	26.9	42%	0.417	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-63.4	-42.5	-180	-63.9	-59.7	-178.9	-179.2	0	111.2	L75 N76 D104 R106 D108	K73-L75 PolarHBondContact O-N 3.07Å; K73-L75 VanDerWaalsContact O-N 3.1Å; K73-N76 PolarHBondContact O-N 3.32Å; K73-D104 WeakPolarHBondContact CB-OD2 3.31Å; K73-R106 HydrophobicContact CB-CB 3.9Å; K73-R106 WeakPolarHBondContact CB-O 3.41Å; K73-R106 HydrophobicContact CG-CB 3.54Å; K73-R106 WeakPolarHBondContact CG-O 3.22Å; K73-R106 PolarHBondContact N-O 3.22Å; K73-D108 VanDerWaalsContact CE-OD2 3.3Å; K73-D108 WeakPolarHBondContact CE-OD2 3.38Å; K73-D108 IonicContact NZ-OD1 3.72Å; K73-D108 IonicContact NZ-OD2 2.61Å; K73-D108 PolarHBondContact NZ-OD2 2.58Å
74	A	98.3	Very high	97.7	Very high	17 Å²	17	32.5 Å²	32.5	14%	0.14	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-52.7	-29.8	173.4	0	0	0	0	0	114.8	F72 L99 F102 D104	F72-A74 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.35Å; A74-L99 HydrophobicContact CB-CD2 3.81Å; A74-F102 HydrophobicContact CB-CB 3.62Å; A74-F102 HydrophobicContact CB-CD1 4.11Å; A74-F102 HydrophobicContact CB-CD2 4.32Å; A74-F102 HydrophobicContact CB-CG 3.77Å; A74-D104 HydrophobicContact CB-CB 4.08Å; A74-D104 WeakPolarHBondContact CB-O 3.47Å; A74-D104 PolarHBondContact N-OD2 3.32Å
75	L	97.8	Very high	97.7	Very high	42 Å²	42	38.8 Å²	38.8	22%	0.22	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-107.3	27	-179.4	-55.4	-176.1	0	0	0	112.4	F72 K73 G77 M78 L99 F102	F72-L75 HydrophobicContact CB-CB 4.34Å; F72-L75 HydrophobicContact CB-CG 4.34Å; F72-L75 HydrophobicContact CD2-CD1 3.84Å; F72-L75 HydrophobicContact CD2-CG 4.43Å; F72-L75 CarbonylContact O-C 3.53Å; F72-L75 PolarHBondContact O-N 3.03Å; F72-L75 VanDerWaalsContact O-N 3.17Å; K73-L75 PolarHBondContact O-N 3.07Å; K73-L75 VanDerWaalsContact O-N 3.1Å; L75-G77 PolarHBondContact O-N 3.26Å; L75-G77 VanDerWaalsContact O-N 3.14Å; L75-M78 HydrophobicContact CB-CB 3.88Å; L75-M78 WeakPolarHBondContact O-CB 3.37Å; L75-M78 PolarHBondContact O-N 2.86Å; L75-L99 HydrophobicContact CG-CD2 4.3Å; L75-F102 HydrophobicContact CD2-CD2 4.16Å; L75-F102 HydrophobicContact CD2-CE1 4.18Å; L75-F102 HydrophobicContact CD2-CE2 3.44Å; L75-F102 VanDerWaalsContact CD2-CE2 3.44Å; L75-F102 HydrophobicContact CD2-CZ 3.45Å; L75-F102 VanDerWaalsContact CD2-CZ 3.45Å
76	N	97.6	Very high	97.7	Very high	163 Å²	163	42.4 Å²	42.4	87%	0.872	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.3	-179.1	-65.2	-43.5	0	0	0	113.3	F72 K73	F72-N76 PolarHBondContact O-N 2.84Å; K73-N76 PolarHBondContact O-N 3.32Å
77	G	97.9	Very high	97.7	Very high	27 Å²	27	43.7 Å²	43.7	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-3.8	179.9	0	0	0	0	0	115.2	C71 F72 L75 G80	C71-G77 VanDerWaalsContact CA-O 3.29Å; C71-G77 WeakPolarHBondContact CA-O 3.35Å; C71-G77 WeakPolarHBondContact CB-O 3.46Å; F72-G77 WeakPolarHBondContact O-CA 3.46Å; F72-G77 PolarHBondContact O-N 2.83Å; L75-G77 PolarHBondContact O-N 3.26Å; L75-G77 VanDerWaalsContact O-N 3.14Å; G77-G80 VanDerWaalsContact O-CA 3.29Å; G77-G80 WeakPolarHBondContact O-CA 2.93Å; G77-G80 PolarHBondContact O-N 2.99Å; G77-G80 VanDerWaalsContact O-N 3.14Å
78	M	98.1	Very high	97.8	Very high	102 Å²	102	51.2 Å²	51.2	50%	0.502	25%	0.25	S	C	.	.			trans	-73.8	156.3	168.7	-71	-66.3	-159.6	0	0	111.5	F72 L75 F82	F72-M78 VanDerWaalsContact CB-O 3.24Å; F72-M78 WeakPolarHBondContact CB-O 3.4Å; F72-M78 WeakPolarHBondContact CG-O 3.36Å; F72-M78 PolarHBondContact N-O 3.32Å; L75-M78 HydrophobicContact CB-CB 3.88Å; L75-M78 WeakPolarHBondContact O-CB 3.37Å; L75-M78 PolarHBondContact O-N 2.86Å; M78-F82 HydrophobicContact CE-CE2 4.32Å; M78-F82 HydrophobicContact SD-CD2 4.11Å; M78-F82 HydrophobicContact SD-CE2 4.27Å
79	P	97.6	Very high	97.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-73.7	-7.7	-3.6	33.1	-37.3	0	0	0	113.8	F72 F82 I83 F86	F72-P79 HydrophobicContact CE2-CG 4.32Å; P79-F82 HydrophobicContact CB-CB 4.37Å; P79-F82 VanDerWaalsContact O-CB 3.32Å; P79-F82 WeakPolarHBondContact O-CB 3.38Å; P79-F82 WeakPolarHBondContact O-CD2 3.1Å; P79-F82 PolarHBondContact O-N 3.44Å; P79-I83 HydrophobicContact CG-CB 4.07Å; P79-I83 HydrophobicContact CG-CD1 3.49Å; P79-I83 VanDerWaalsContact CG-CD1 3.49Å; P79-I83 HydrophobicContact CG-CG1 4.37Å; P79-F86 HydrophobicContact CB-CB 4.35Å; P79-F86 HydrophobicContact CB-CD1 4.1Å; P79-F86 HydrophobicContact CB-CD2 3.36Å; P79-F86 HydrophobicContact CB-CE1 4.22Å; P79-F86 HydrophobicContact CB-CE2 3.52Å; P79-F86 HydrophobicContact CB-CG 3.67Å; P79-F86 HydrophobicContact CB-CZ 3.95Å; P79-F86 HydrophobicContact CG-CB 4.29Å; P79-F86 HydrophobicContact CG-CD1 4.47Å; P79-F86 HydrophobicContact CG-CD2 4.21Å; P79-F86 HydrophobicContact CG-CG 4.06Å
80	G	98	Very high	97.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	-124.5	173.2	0	0	0	0	0	111.6	A69 L70 G77 F82 I83	A69-G80 WeakPolarHBondContact CA-O 3.37Å; A69-G80 WeakPolarHBondContact CB-O 3.35Å; L70-G80 PolarHBondContact N-O 2.89Å; L70-G80 VanDerWaalsContact N-O 3.14Å; L70-G80 WeakPolarHBondContact O-CA 3.48Å; L70-G80 PolarHBondContact O-N 3.13Å; G77-G80 VanDerWaalsContact O-CA 3.29Å; G77-G80 WeakPolarHBondContact O-CA 2.93Å; G77-G80 PolarHBondContact O-N 2.99Å; G77-G80 VanDerWaalsContact O-N 3.14Å; G80-F82 PolarHBondContact O-N 3.46Å; G80-I83 WeakPolarHBondContact O-CB 3.37Å; G80-I83 WeakPolarHBondContact O-CG2 3.33Å; G80-I83 PolarHBondContact O-N 3.06Å
81	P	97.5	Very high	97.8	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.104	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.3	180	29.4	-34.4	0	0	0	112.7	I44 V47 I83	I44-P81 HydrophobicContact CG1-CG 4.37Å; V47-P81 HydrophobicContact CG2-CB 4.08Å; V47-P81 HydrophobicContact CG2-CG 4.16Å; P81-I83 PolarHBondContact O-N 3.32Å
82	F	97.3	Very high	97.8	Very high	47 Å²	47	58.3 Å²	58.3	21%	0.206	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.4	-179.7	-49.1	-62.8	0	0	0	113.6	Q41 M78 P79 G80 K84 W85 F86	Q41-F82 HydrophobicContact CB-CE1 4.42Å; Q41-F82 HydrophobicContact CB-CZ 4.39Å; Q41-F82 HydrophobicContact CG-CE1 4.33Å; M78-F82 HydrophobicContact CE-CE2 4.32Å; M78-F82 HydrophobicContact SD-CD2 4.11Å; M78-F82 HydrophobicContact SD-CE2 4.27Å; P79-F82 HydrophobicContact CB-CB 4.37Å; P79-F82 VanDerWaalsContact O-CB 3.32Å; P79-F82 WeakPolarHBondContact O-CB 3.38Å; P79-F82 WeakPolarHBondContact O-CD2 3.1Å; P79-F82 PolarHBondContact O-N 3.44Å; G80-F82 PolarHBondContact O-N 3.46Å; F82-K84 PolarHBondContact O-N 3.04Å; F82-W85 WeakPolarHBondContact O-CB 3.16Å; F82-W85 PolarHBondContact O-N 2.78Å; F82-F86 HydrophobicContact CB-CD2 4.16Å; F82-F86 HydrophobicContact CB-CE2 4.05Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å; F82-F86 PolarHBondContact O-N 3.23Å
83	I	97.7	Very high	97.7	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-52.8	-34.4	-173.4	-174.6	64	0	0	0	113.8	L70 F72 P79 G80 P81 W85 F86 L87 L95 W145	L70-I83 HydrophobicContact CB-CB 3.99Å; L70-I83 HydrophobicContact CB-CD1 3.96Å; L70-I83 HydrophobicContact CB-CG1 3.62Å; L70-I83 HydrophobicContact CB-CG2 4.23Å; L70-I83 HydrophobicContact CD2-CD1 3.89Å; L70-I83 HydrophobicContact CD2-CG1 4.09Å; L70-I83 HydrophobicContact CG-CD1 4.45Å; L70-I83 HydrophobicContact CG-CG1 4.5Å; F72-I83 HydrophobicContact CZ-CD1 4.2Å; P79-I83 HydrophobicContact CG-CB 4.07Å; P79-I83 HydrophobicContact CG-CD1 3.49Å; P79-I83 VanDerWaalsContact CG-CD1 3.49Å; P79-I83 HydrophobicContact CG-CG1 4.37Å; G80-I83 WeakPolarHBondContact O-CB 3.37Å; G80-I83 WeakPolarHBondContact O-CG2 3.33Å; G80-I83 PolarHBondContact O-N 3.06Å; P81-I83 PolarHBondContact O-N 3.32Å; I83-W85 VanDerWaalsContact C-N 3.27Å; I83-W85 PolarHBondContact O-N 3.19Å; I83-F86 PolarHBondContact O-N 3.06Å; I83-L87 VanDerWaalsContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CB 3.27Å; I83-L87 PolarHBondContact O-N 3.01Å; I83-L95 HydrophobicContact CD1-CD1 3.92Å; I83-L95 HydrophobicContact CD1-CD2 3.9Å; I83-W145 HydrophobicContact CG1-CG 4.11Å
84	K	95.5	Very high	97.7	Very high	119 Å²	119	56.7 Å²	56.7	52%	0.517	30%	0.302	S	S	.	.	H	α-helix	trans	-55.6	-42.4	176.1	174.8	-178.4	164.4	-168.8	0	112	E39 F82 K88	E39-K84 IonicContact OE1-NZ 3.44Å; E39-K84 PolarHBondContact OE1-NZ 3.42Å; F82-K84 PolarHBondContact O-N 3.04Å; K84-K88 WeakPolarHBondContact O-CB 3.3Å; K84-K88 PolarHBondContact O-N 3.26Å
85	W	96.6	Very high	97.7	Very high	132 Å²	132	55.9 Å²	55.9	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-72.7	-40.5	-179.4	-62.4	104.7	0	0	0	111.9	E39 F82 I83 K88 A89	E39-W85 PolarHBondContact OE2-NE1 2.75Å; F82-W85 WeakPolarHBondContact O-CB 3.16Å; F82-W85 PolarHBondContact O-N 2.78Å; I83-W85 VanDerWaalsContact C-N 3.27Å; I83-W85 PolarHBondContact O-N 3.19Å; W85-K88 PolarHBondContact O-N 2.9Å; W85-A89 WeakPolarHBondContact O-CB 3.21Å; W85-A89 PolarHBondContact O-N 3.35Å
86	F	98	Very high	97.7	Very high	75 Å²	75	54.4 Å²	54.4	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-47.7	175	-78.9	-105.2	0	0	0	111.4	P79 F82 I83 K88 A89 V90 L95 M98	P79-F86 HydrophobicContact CB-CB 4.35Å; P79-F86 HydrophobicContact CB-CD1 4.1Å; P79-F86 HydrophobicContact CB-CD2 3.36Å; P79-F86 HydrophobicContact CB-CE1 4.22Å; P79-F86 HydrophobicContact CB-CE2 3.52Å; P79-F86 HydrophobicContact CB-CG 3.67Å; P79-F86 HydrophobicContact CB-CZ 3.95Å; P79-F86 HydrophobicContact CG-CB 4.29Å; P79-F86 HydrophobicContact CG-CD1 4.47Å; P79-F86 HydrophobicContact CG-CD2 4.21Å; P79-F86 HydrophobicContact CG-CG 4.06Å; F82-F86 HydrophobicContact CB-CD2 4.16Å; F82-F86 HydrophobicContact CB-CE2 4.05Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å; F82-F86 PolarHBondContact O-N 3.23Å; I83-F86 PolarHBondContact O-N 3.06Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 3.09Å; F86-A89 PolarHBondContact O-N 2.9Å; F86-A89 VanDerWaalsContact O-N 3.08Å; F86-V90 WeakPolarHBondContact O-CG2 3.45Å; F86-V90 PolarHBondContact O-N 2.91Å; F86-L95 HydrophobicContact CB-CD2 3.84Å; F86-M98 HydrophobicContact CD1-CE 3.49Å; F86-M98 VanDerWaalsContact CD1-CE 3.49Å; F86-M98 HydrophobicContact CD1-SD 4.04Å; F86-M98 HydrophobicContact CE1-CE 3.55Å
87	L	98.1	Very high	97.8	Very high	30 Å²	30	54 Å²	54	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-42.8	175.7	178.8	65.9	0	0	0	111.7	I83 A89 G91 P92 L95 G144 W145	I83-L87 VanDerWaalsContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CB 3.27Å; I83-L87 PolarHBondContact O-N 3.01Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.83Å; L87-G91 WeakPolarHBondContact O-CA 3.43Å; L87-G91 PolarHBondContact O-N 3.44Å; L87-P92 HydrophobicContact CD1-CB 4.18Å; L87-L95 HydrophobicContact CB-CD1 4.09Å; L87-L95 HydrophobicContact CD1-CD1 3.67Å; L87-L95 HydrophobicContact CG-CD1 4.48Å; L87-G144 WeakPolarHBondContact CD2-O 3.24Å; L87-W145 HydrophobicContact CD2-CB 4.42Å
88	K	97.5	Very high	97.7	Very high	170 Å²	170	55.6 Å²	55.6	74%	0.739	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-38.3	176.5	-176.3	178.4	178.6	-178.8	0	112.3	K84 W85 F86	K84-K88 WeakPolarHBondContact O-CB 3.3Å; K84-K88 PolarHBondContact O-N 3.26Å; W85-K88 PolarHBondContact O-N 2.9Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 3.09Å
89	A	98.2	Very high	97.8	Very high	82 Å²	82	50.8 Å²	50.8	68%	0.678	25%	0.251	S	S	*	.	H	α-helix	trans	-76.4	-46.3	-175.6	0	0	0	0	0	113	W85 F86 L87	W85-A89 WeakPolarHBondContact O-CB 3.21Å; W85-A89 PolarHBondContact O-N 3.35Å; F86-A89 PolarHBondContact O-N 2.9Å; F86-A89 VanDerWaalsContact O-N 3.08Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.83Å
90	V	98	Very high	97.8	Very high	58 Å²	58	54.2 Å²	54.2	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-108.7	-6.9	-171.9	-54.2	0	0	0	0	113.9	F86 G94 L95 M98	F86-V90 WeakPolarHBondContact O-CG2 3.45Å; F86-V90 PolarHBondContact O-N 2.91Å; V90-G94 WeakPolarHBondContact O-CA 3.4Å; V90-G94 PolarHBondContact O-N 3.05Å; V90-L95 HydrophobicContact CG2-CD2 3.9Å; V90-L95 HydrophobicContact CG2-CG 3.99Å; V90-M98 HydrophobicContact CG2-SD 4.04Å
91	G	98	Very high	97.7	Very high	21 Å²	21	61.9 Å²	61.9	22%	0.216	31%	0.313	C	S	.	.	H	α-helix	trans	69	172.5	-174.3	0	0	0	0	0	112.9	L87 D93 G94 L95	L87-G91 WeakPolarHBondContact O-CA 3.43Å; L87-G91 PolarHBondContact O-N 3.44Å; G91-D93 PolarHBondContact O-N 2.71Å; G91-G94 PolarHBondContact O-N 3.49Å; G91-G94 VanDerWaalsContact O-N 3.12Å; G91-L95 PolarHBondContact O-N 2.92Å
92	P	98.1	Very high	97.8	Very high	23 Å²	23	66.4 Å²	66.4	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-30.5	177.5	26.8	-34.8	0	0	0	111.9	L87 G94 P96 P137 C147 I148	L87-P92 HydrophobicContact CD1-CB 4.18Å; P92-G94 VanDerWaalsContact C-N 3.33Å; P92-G94 PolarHBondContact O-N 2.83Å; P92-P96 WeakPolarHBondContact O-CD 3.44Å; P92-P137 HydrophobicContact CB-CB 4.37Å; P92-P137 HydrophobicContact CB-CG 3.95Å; P92-P137 HydrophobicContact CG-CG 4.49Å; P92-C147 VanDerWaalsContact CB-SG 3.53Å; P92-I148 HydrophobicContact CB-CG2 4Å; P92-I148 WeakPolarHBondContact O-CG2 3.44Å
93	D	98.1	Very high	97.8	Very high	59 Å²	59	70.5 Å²	70.5	32%	0.316	36%	0.356	S	S	.	.	H	α-helix	trans	-71.2	-29	177	-48.8	-89.6	0	0	0	112.7	G91 R97 P137 R141	G91-D93 PolarHBondContact O-N 2.71Å; D93-R97 VanDerWaalsContact CB-NH1 3.32Å; D93-R97 VanDerWaalsContact O-CZ 3.32Å; D93-R97 PolarHBondContact O-NH1 3.17Å; D93-P137 HydrophobicContact CB-CG 4.49Å; D93-R141 IonicContact OD1-CZ 3.17Å; D93-R141 IonicContact OD1-NH1 3.73Å; D93-R141 IonicContact OD1-NH2 2.69Å; D93-R141 PolarHBondContact OD1-NH2 3.01Å; D93-R141 IonicContact OD2-CZ 2.58Å; D93-R141 IonicContact OD2-NH1 2.66Å; D93-R141 PolarHBondContact OD2-NH1 3Å; D93-R141 IonicContact OD2-NH2 3.54Å
94	G	98.3	Very high	97.8	Very high	3 Å²	3	72.9 Å²	72.9	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-77.7	-31.5	-177.5	0	0	0	0	0	113.9	V90 G91 P92 R97 M98	V90-G94 WeakPolarHBondContact O-CA 3.4Å; V90-G94 PolarHBondContact O-N 3.05Å; G91-G94 PolarHBondContact O-N 3.49Å; G91-G94 VanDerWaalsContact O-N 3.12Å; P92-G94 VanDerWaalsContact C-N 3.33Å; P92-G94 PolarHBondContact O-N 2.83Å; G94-R97 WeakPolarHBondContact O-CB 3.19Å; G94-R97 PolarHBondContact O-N 3.21Å; G94-R97 VanDerWaalsContact O-N 3.14Å; G94-M98 WeakPolarHBondContact O-CG 3.22Å; G94-M98 PolarHBondContact O-N 3.32Å; G94-M98 VanDerWaalsContact O-N 3.08Å
95	L	98.3	Very high	97.9	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-48.4	-177.8	-69.7	172.8	0	0	0	113.1	F72 I83 F86 L87 V90 G91 R97 M98 W145 I148	F72-L95 HydrophobicContact CE2-CD2 4.41Å; F72-L95 HydrophobicContact CZ-CB 4.31Å; F72-L95 HydrophobicContact CZ-CD2 4.22Å; I83-L95 HydrophobicContact CD1-CD1 3.92Å; I83-L95 HydrophobicContact CD1-CD2 3.9Å; F86-L95 HydrophobicContact CB-CD2 3.84Å; L87-L95 HydrophobicContact CB-CD1 4.09Å; L87-L95 HydrophobicContact CD1-CD1 3.67Å; L87-L95 HydrophobicContact CG-CD1 4.48Å; V90-L95 HydrophobicContact CG2-CD2 3.9Å; V90-L95 HydrophobicContact CG2-CG 3.99Å; G91-L95 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.03Å; L95-M98 HydrophobicContact CD2-SD 4.07Å; L95-M98 WeakPolarHBondContact O-CB 2.85Å; L95-M98 PolarHBondContact O-N 3.07Å; L95-W145 HydrophobicContact CD1-CB 4.45Å; L95-I148 HydrophobicContact CB-CD1 3.57Å; L95-I148 HydrophobicContact CD1-CD1 3.43Å; L95-I148 VanDerWaalsContact CD1-CD1 3.43Å; L95-I148 HydrophobicContact CG-CD1 4.15Å
96	P	98.3	Very high	98.1	Very high	11 Å²	11	68.5 Å²	68.5	7%	0.071	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-38	172.2	-21.1	31.2	0	0	0	112.7	P92 M98 L99 I134 V135 I148	P92-P96 WeakPolarHBondContact O-CD 3.44Å; P96-M98 PolarHBondContact O-N 3.04Å; P96-L99 WeakPolarHBondContact O-CB 3.46Å; P96-L99 PolarHBondContact O-N 3.4Å; P96-I134 HydrophobicContact CB-CG2 3.97Å; P96-I134 HydrophobicContact CG-CG2 3.76Å; P96-V135 WeakPolarHBondContact CG-O 3.39Å; P96-I148 HydrophobicContact CG-CG2 4.25Å
97	R	98.1	Very high	98.1	Very high	154 Å²	154	64.9 Å²	64.9	58%	0.581	33%	0.333	S	S	*	.	H	α-helix	trans	-62.1	-31.3	-180	-72.3	-167	-59.8	-93.2	2	112.9	D93 G94 L95 L99 T100	D93-R97 VanDerWaalsContact CB-NH1 3.32Å; D93-R97 VanDerWaalsContact O-CZ 3.32Å; D93-R97 PolarHBondContact O-NH1 3.17Å; G94-R97 WeakPolarHBondContact O-CB 3.19Å; G94-R97 PolarHBondContact O-N 3.21Å; G94-R97 VanDerWaalsContact O-N 3.14Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.03Å; R97-L99 PolarHBondContact O-N 2.84Å; R97-T100 WeakPolarHBondContact O-CB 3.48Å; R97-T100 PolarHBondContact O-N 3.12Å; R97-T100 PolarHBondContact O-OG1 2.94Å
98	M	97.4	Very high	98.1	Very high	62 Å²	62	64.7 Å²	64.7	31%	0.305	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20	175	-66.9	172	66.9	0	0	113.6	F86 V90 G94 L95 P96	F86-M98 HydrophobicContact CD1-CE 3.49Å; F86-M98 VanDerWaalsContact CD1-CE 3.49Å; F86-M98 HydrophobicContact CD1-SD 4.04Å; F86-M98 HydrophobicContact CE1-CE 3.55Å; V90-M98 HydrophobicContact CG2-SD 4.04Å; G94-M98 WeakPolarHBondContact O-CG 3.22Å; G94-M98 PolarHBondContact O-N 3.32Å; G94-M98 VanDerWaalsContact O-N 3.08Å; L95-M98 HydrophobicContact CD2-SD 4.07Å; L95-M98 WeakPolarHBondContact O-CB 2.85Å; L95-M98 PolarHBondContact O-N 3.07Å; P96-M98 PolarHBondContact O-N 3.04Å
99	L	98.3	Very high	98.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.2	-176.7	-58.5	174.1	0	0	0	113.2	F72 A74 L75 P96 R97 D101 F102 N103 Y105 I134	F72-L99 HydrophobicContact CB-CD2 3.91Å; F72-L99 HydrophobicContact CD1-CD1 4.42Å; F72-L99 HydrophobicContact CD2-CD1 4.18Å; F72-L99 HydrophobicContact CD2-CD2 3.68Å; F72-L99 HydrophobicContact CD2-CG 4.21Å; F72-L99 HydrophobicContact CE2-CD1 4.44Å; F72-L99 HydrophobicContact CE2-CD2 4.43Å; F72-L99 HydrophobicContact CG-CD1 4.17Å; F72-L99 HydrophobicContact CG-CD2 3.99Å; A74-L99 HydrophobicContact CB-CD2 3.81Å; L75-L99 HydrophobicContact CG-CD2 4.3Å; P96-L99 WeakPolarHBondContact O-CB 3.46Å; P96-L99 PolarHBondContact O-N 3.4Å; R97-L99 PolarHBondContact O-N 2.84Å; L99-D101 PolarHBondContact O-N 2.96Å; L99-F102 PolarHBondContact O-N 2.78Å; L99-F102 VanDerWaalsContact O-N 3.12Å; L99-N103 PolarHBondContact O-N 3.46Å; L99-N103 VanDerWaalsContact O-N 3.12Å; L99-Y105 HydrophobicContact CB-CD1 3.92Å; L99-Y105 HydrophobicContact CB-CE1 3.89Å; L99-Y105 HydrophobicContact CD1-CD1 4.12Å; L99-I134 HydrophobicContact CD1-CB 3.82Å; L99-I134 HydrophobicContact CD1-CG1 3.86Å; L99-I134 HydrophobicContact CD1-CG2 4.03Å
100	T	97.5	Very high	98.2	Very high	73 Å²	73	53 Å²	53	45%	0.448	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-54.3	-49.7	-172	-51.2	0	0	0	0	112.5	R97 F102 N103	R97-T100 WeakPolarHBondContact O-CB 3.48Å; R97-T100 PolarHBondContact O-N 3.12Å; R97-T100 PolarHBondContact O-OG1 2.94Å; T100-F102 VanDerWaalsContact C-N 3.28Å; T100-F102 PolarHBondContact O-N 3.37Å; T100-N103 PolarHBondContact O-N 3.39Å
101	D	97.5	Very high	98.2	Very high	162 Å²	162	50.3 Å²	50.3	87%	0.866	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-73.3	-21.1	-175.9	-67	-13.4	0	0	0	113.2	L99	L99-D101 PolarHBondContact O-N 2.96Å
102	F	98	Very high	98.3	Very high	111 Å²	111	49.3 Å²	49.3	49%	0.487	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-80.7	-24.2	173.6	-64.9	-86.2	0	0	0	112.2	A74 L75 L99 T100 D104	A74-F102 HydrophobicContact CB-CB 3.62Å; A74-F102 HydrophobicContact CB-CD1 4.11Å; A74-F102 HydrophobicContact CB-CD2 4.32Å; A74-F102 HydrophobicContact CB-CG 3.77Å; L75-F102 HydrophobicContact CD2-CD2 4.16Å; L75-F102 HydrophobicContact CD2-CE1 4.18Å; L75-F102 HydrophobicContact CD2-CE2 3.44Å; L75-F102 VanDerWaalsContact CD2-CE2 3.44Å; L75-F102 HydrophobicContact CD2-CZ 3.45Å; L75-F102 VanDerWaalsContact CD2-CZ 3.45Å; L99-F102 PolarHBondContact O-N 2.78Å; L99-F102 VanDerWaalsContact O-N 3.12Å; T100-F102 VanDerWaalsContact C-N 3.28Å; T100-F102 PolarHBondContact O-N 3.37Å; F102-D104 PolarHBondContact O-N 3.16Å; F102-D104 VanDerWaalsContact O-N 3.08Å
103	N	97.5	Very high	98.3	Very high	134 Å²	134	48.2 Å²	48.2	72%	0.717	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	30.4	-171.9	-166.4	39.2	0	0	0	113.3	L99 T100	L99-N103 PolarHBondContact O-N 3.46Å; L99-N103 VanDerWaalsContact O-N 3.12Å; T100-N103 PolarHBondContact O-N 3.39Å
104	D	98.6	Very high	98.3	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	22%	0.218	S	C	.	.			trans	-130	111.8	174.4	175.8	18	0	0	0	109.1	K73 A74 F102 R106	K73-D104 WeakPolarHBondContact CB-OD2 3.31Å; A74-D104 HydrophobicContact CB-CB 4.08Å; A74-D104 WeakPolarHBondContact CB-O 3.47Å; A74-D104 PolarHBondContact N-OD2 3.32Å; F102-D104 PolarHBondContact O-N 3.16Å; F102-D104 VanDerWaalsContact O-N 3.08Å; D104-R106 VanDerWaalsContact OD1-CB 3.22Å; D104-R106 WeakPolarHBondContact OD1-CB 3.38Å; D104-R106 VanDerWaalsContact OD1-CG 3.23Å; D104-R106 WeakPolarHBondContact OD1-CG 3.38Å; D104-R106 PolarHBondContact OD1-N 2.91Å
105	Y	98.6	Very high	98.3	Very high	78 Å²	78	45.4 Å²	45.4	31%	0.306	22%	0.217	S	C	.	.			trans	-102.8	7.5	-177.6	-63.1	-91.6	0	0	0	112.2	L99 C133 I134	L99-Y105 HydrophobicContact CB-CD1 3.92Å; L99-Y105 HydrophobicContact CB-CE1 3.89Å; L99-Y105 HydrophobicContact CD1-CD1 4.12Å; Y105-C133 CarbonylContact O-C 3.59Å; Y105-C133 VanDerWaalsContact O-CA 3.31Å; Y105-C133 WeakPolarHBondContact O-CA 3.32Å; Y105-I134 WeakPolarHBondContact CB-O 3.19Å; Y105-I134 PolarHBondContact O-N 3.05Å
106	R	98.8	Very high	98.2	Very high	80 Å²	80	45.6 Å²	45.6	30%	0.302	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138	178.7	-65.6	-60.3	-57.2	173.7	-2.8	110.4	K73 D104 G132 C133 D152	K73-R106 HydrophobicContact CB-CB 3.9Å; K73-R106 WeakPolarHBondContact CB-O 3.41Å; K73-R106 HydrophobicContact CG-CB 3.54Å; K73-R106 WeakPolarHBondContact CG-O 3.22Å; K73-R106 PolarHBondContact N-O 3.22Å; D104-R106 VanDerWaalsContact OD1-CB 3.22Å; D104-R106 WeakPolarHBondContact OD1-CB 3.38Å; D104-R106 VanDerWaalsContact OD1-CG 3.23Å; D104-R106 WeakPolarHBondContact OD1-CG 3.38Å; D104-R106 PolarHBondContact OD1-N 2.91Å; R106-G132 PolarHBondContact NE-O 3.31Å; R106-G132 PolarHBondContact NH1-O 3.25Å; R106-C133 PolarHBondContact NH1-SG 2.94Å; R106-D152 IonicContact CZ-OD1 3.31Å; R106-D152 VanDerWaalsContact CZ-OD1 3.31Å; R106-D152 IonicContact CZ-OD2 3.72Å; R106-D152 IonicContact NH1-OD1 2.67Å; R106-D152 PolarHBondContact NH1-OD1 3.03Å; R106-D152 IonicContact NH1-OD2 3.79Å; R106-D152 VanDerWaalsContact NH2-CG 3.3Å; R106-D152 IonicContact NH2-OD1 3.07Å; R106-D152 PolarHBondContact NH2-OD1 2.98Å; R106-D152 IonicContact NH2-OD2 2.75Å; R106-D152 PolarHBondContact NH2-OD2 2.93Å
107	A	98.8	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.7	176.3	0	0	0	0	0	112.2	L70 C71 F72 G132 I134 F149	L70-A107 HydrophobicContact CD1-CB 4.33Å; C71-A107 CarbonylContact O-C 3.57Å; C71-A107 WeakPolarHBondContact O-CA 3.36Å; F72-A107 HydrophobicContact CD1-CB 3.89Å; A107-G132 PolarHBondContact N-O 3.21Å; A107-G132 CarbonylContact O-C 3.58Å; A107-G132 PolarHBondContact O-N 3.04Å; A107-G132 VanDerWaalsContact O-O 3.13Å; A107-I134 HydrophobicContact CB-CD1 3.58Å; A107-I134 HydrophobicContact CB-CG1 3.67Å; A107-F149 HydrophobicContact CB-CE2 4.43Å
108	D	98.9	Very high	97.9	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	168.7	-68.8	-18.1	0	0	0	109.8	C71 K73 V110 I129 P131	C71-D108 HydrophobicContact CB-CB 4.31Å; C71-D108 PolarHBondContact N-O 2.86Å; C71-D108 PolarHBondContact O-N 3.24Å; K73-D108 VanDerWaalsContact CE-OD2 3.3Å; K73-D108 WeakPolarHBondContact CE-OD2 3.38Å; K73-D108 IonicContact NZ-OD1 3.72Å; K73-D108 IonicContact NZ-OD2 2.61Å; K73-D108 PolarHBondContact NZ-OD2 2.58Å; D108-V110 HydrophobicContact CB-CG2 4.12Å; D108-I129 HydrophobicContact CB-CG2 3.89Å; D108-P131 WeakPolarHBondContact OD1-CA 3.46Å
109	A	98.8	Very high	97.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.9	162.8	0	0	0	0	0	108.6	L70 I129 T130 W145 F149 Y158 H171	L70-A109 HydrophobicContact CD1-CB 4.4Å; A109-I129 CarbonylContact O-C 3.59Å; A109-I129 WeakPolarHBondContact O-CA 3.46Å; A109-T130 PolarHBondContact N-O 2.69Å; A109-T130 PolarHBondContact O-N 2.66Å; A109-W145 HydrophobicContact CB-CH2 3.53Å; A109-W145 HydrophobicContact CB-CZ3 3.96Å; A109-F149 HydrophobicContact CB-CD1 4.23Å; A109-F149 HydrophobicContact CB-CD2 4.37Å; A109-F149 HydrophobicContact CB-CE1 3.77Å; A109-F149 HydrophobicContact CB-CE2 3.93Å; A109-F149 HydrophobicContact CB-CZ 3.62Å; A109-Y158 HydrophobicContact CB-CE2 4.22Å; A109-H171 HydrophobicContact CB-CB 4.24Å; A109-H171 VanDerWaalsContact O-CB 3.23Å; A109-H171 WeakPolarHBondContact O-CB 3.48Å
110	V	98.8	Very high	97.4	Very high	7 Å²	7	51 Å²	51	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.1	-175.3	-173.7	0	0	0	0	110.1	I44 T68 A69 D108 T127 G128 I129 H171	I44-V110 HydrophobicContact CD1-CB 4.32Å; I44-V110 HydrophobicContact CD1-CG1 4.08Å; I44-V110 HydrophobicContact CD1-CG2 4.44Å; T68-V110 CarbonylContact C-O 3.58Å; T68-V110 WeakPolarHBondContact CA-O 3.49Å; A69-V110 HydrophobicContact CB-CB 4.17Å; A69-V110 PolarHBondContact N-O 3.3Å; A69-V110 PolarHBondContact O-N 3Å; D108-V110 HydrophobicContact CB-CG2 4.12Å; V110-T127 HydrophobicContact CG1-CG2 3.55Å; V110-G128 WeakPolarHBondContact CA-O 3.46Å; V110-I129 HydrophobicContact CG1-CG1 4.25Å; V110-I129 HydrophobicContact CG2-CG1 4.26Å; V110-I129 HydrophobicContact CG2-CG2 4.45Å; V110-H171 VanDerWaalsContact C-CD2 3.44Å; V110-H171 PolarHBondContact O-CD2 2.96Å
111	C	98.5	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.2	169	-166.4	0	0	0	0	107.6	D67 T127 G128 H171 R172 A175	D67-C111 WeakPolarHBondContact O-CA 3.45Å; C111-T127 CarbonylContact O-C 3.56Å; C111-T127 WeakPolarHBondContact O-CA 3.33Å; C111-G128 PolarHBondContact N-O 2.85Å; C111-G128 PolarHBondContact O-N 3.24Å; C111-H171 HydrophobicContact CB-CB 4.18Å; C111-H171 VanDerWaalsContact CB-CD2 3.48Å; C111-H171 WeakPolarHBondContact CB-CD2 3.48Å; C111-H171 PolarHBondContact N-CD2 2.85Å; C111-R172 HydrophobicContact CB-CB 4.29Å; C111-A175 HydrophobicContact CB-CB 4.11Å; C111-A175 WeakPolarHBondContact O-CB 3.45Å
112	T	98.6	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.4	173.3	-58.5	0	0	0	0	108.2	I44 E66 D67 L125 F126 T127	I44-T112 VanDerWaalsContact CG2-OG1 3.24Å; I44-T112 WeakPolarHBondContact CG2-OG1 3.48Å; E66-T112 CarbonylContact C-O 3.5Å; E66-T112 WeakPolarHBondContact CA-O 2.91Å; D67-T112 PolarHBondContact N-O 3.31Å; D67-T112 PolarHBondContact O-N 3.34Å; T112-L125 HydrophobicContact CG2-CB 4.34Å; T112-L125 HydrophobicContact CG2-CD2 4.16Å; T112-F126 WeakPolarHBondContact CA-O 3.34Å; T112-T127 PolarHBondContact OG1-OG1 3.28Å
113	F	98.5	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.6	163.4	-76.6	-91.1	0	0	0	109.1	F7 F18 L64 I65 E66 L125 F126 R172 A175 L176 V179	F7-F113 HydrophobicContact CE2-CD1 4.41Å; F7-F113 AromaticContact CE2-CE1 3.8Å; F7-F113 HydrophobicContact CE2-CE1 3.8Å; F7-F113 HydrophobicContact CZ-CE1 4.33Å; F18-F113 AromaticContact CD2-CE1 3.87Å; F18-F113 HydrophobicContact CD2-CE1 3.87Å; F18-F113 HydrophobicContact CD2-CZ 4.16Å; F18-F113 HydrophobicContact CE2-CE1 4.21Å; L64-F113 HydrophobicContact CD1-CB 4.08Å; L64-F113 HydrophobicContact CD1-CD1 4.04Å; L64-F113 HydrophobicContact CD1-CG 4.5Å; L64-F113 HydrophobicContact CD2-CD1 3.91Å; L64-F113 HydrophobicContact CD2-CE1 4.28Å; L64-F113 HydrophobicContact CG-CD1 3.86Å; I65-F113 VanDerWaalsContact O-CA 3.27Å; I65-F113 WeakPolarHBondContact O-CA 3.35Å; I65-F113 WeakPolarHBondContact O-CD1 3.34Å; E66-F113 HydrophobicContact CB-CD1 3.84Å; E66-F113 HydrophobicContact CB-CE1 3.66Å; E66-F113 HydrophobicContact CB-CE2 4.45Å; E66-F113 HydrophobicContact CB-CG 4.32Å; E66-F113 HydrophobicContact CB-CZ 3.96Å; E66-F113 HydrophobicContact CG-CE1 4.3Å; E66-F113 WeakPolarHBondContact OE2-CZ 3.45Å; F113-L125 WeakPolarHBondContact O-CA 3.46Å; F113-F126 HydrophobicContact CB-CB 4.27Å; F113-F126 HydrophobicContact CB-CD2 4.35Å; F113-F126 PolarHBondContact N-O 3.06Å; F113-F126 PolarHBondContact O-N 3.19Å; F113-R172 HydrophobicContact CE2-CG 4.07Å; F113-R172 HydrophobicContact CZ-CG 4.13Å; F113-A175 HydrophobicContact CD2-CB 3.6Å; F113-A175 HydrophobicContact CE2-CB 3.99Å; F113-L176 HydrophobicContact CD1-CD1 4.25Å; F113-L176 HydrophobicContact CD2-CD1 4.34Å; F113-L176 HydrophobicContact CE1-CD1 3.81Å; F113-L176 HydrophobicContact CE2-CB 4.07Å; F113-L176 HydrophobicContact CE2-CD1 3.93Å; F113-L176 HydrophobicContact CZ-CB 4.44Å; F113-L176 HydrophobicContact CZ-CD1 3.66Å; F113-V179 HydrophobicContact CB-CG2 3.56Å; F113-V179 HydrophobicContact CD1-CG2 4.47Å; F113-V179 HydrophobicContact CD2-CG2 4.24Å; F113-V179 HydrophobicContact CG-CG2 3.85Å
114	A	98.5	Very high	97.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.9	174.3	0	0	0	0	0	110	C52 L64 I65 V123 Q124 L125	C52-A114 HydrophobicContact CB-CB 3.69Å; C52-A114 PolarHBondContact SG-O 3.47Å; L64-A114 WeakPolarHBondContact CA-O 3.32Å; I65-A114 HydrophobicContact CD1-CB 3.58Å; I65-A114 HydrophobicContact CG1-CB 3.9Å; I65-A114 PolarHBondContact N-O 3.49Å; I65-A114 PolarHBondContact O-N 3.34Å; A114-V123 HydrophobicContact CB-CG1 3.8Å; A114-Q124 CarbonylContact C-O 3.55Å; A114-Q124 WeakPolarHBondContact CA-O 3.24Å; A114-L125 HydrophobicContact CB-CD2 3.48Å; A114-L125 VanDerWaalsContact CB-CD2 3.48Å
115	Y	98.1	Very high	97.3	Very high	4 Å²	4	43 Å²	43	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.6	-175.9	175.9	-103.8	0	0	0	111.5	L5 P62 V63 L64 D117 V123 Q124 F182 L183 E187	L5-Y115 HydrophobicContact CD1-CD2 4Å; L5-Y115 HydrophobicContact CD1-CE2 3.56Å; P62-Y115 HydrophobicContact CB-CE2 4.16Å; V63-Y115 WeakPolarHBondContact O-CA 3.39Å; V63-Y115 WeakPolarHBondContact O-CD2 3.38Å; L64-Y115 HydrophobicContact CD1-CD2 4.48Å; Y115-D117 HydrophobicContact CE1-CB 3.94Å; Y115-D117 VanDerWaalsContact OH-CB 3.25Å; Y115-D117 WeakPolarHBondContact OH-CB 3.13Å; Y115-V123 WeakPolarHBondContact O-CA 3.44Å; Y115-V123 WeakPolarHBondContact O-CG1 3.22Å; Y115-Q124 HydrophobicContact CD1-CB 4.46Å; Y115-Q124 HydrophobicContact CD1-CG 4.38Å; Y115-Q124 PolarHBondContact N-O 2.89Å; Y115-Q124 PolarHBondContact O-N 2.83Å; Y115-F182 HydrophobicContact CD1-CD1 4.42Å; Y115-F182 AromaticContact CD1-CE1 3.42Å; Y115-F182 HydrophobicContact CD1-CE1 3.42Å; Y115-F182 VanDerWaalsContact CD1-CE1 3.42Å; Y115-F182 AromaticContact CD1-CZ 3.87Å; Y115-F182 HydrophobicContact CD1-CZ 3.87Å; Y115-F182 AromaticContact CE1-CE1 3.57Å; Y115-F182 HydrophobicContact CE1-CE1 3.57Å; Y115-F182 AromaticContact CE1-CZ 3.99Å; Y115-F182 HydrophobicContact CE1-CZ 3.99Å; Y115-F182 HydrophobicContact CG-CE1 4.15Å; Y115-L183 HydrophobicContact CE2-CD2 4.32Å; Y115-E187 HydrophobicContact CE1-CG 4.28Å; Y115-E187 WeakPolarHBondContact OH-CG 3.44Å; Y115-E187 PolarHBondContact OH-OE1 2.94Å; Y115-E187 PolarHBondContact OH-OE2 3.08Å
116	C	97.1	Very high	97.3	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	127.4	176.5	-176.2	0	0	0	0	110.7	C52 F56 P62 V63 S118 V123	C52-C116 VanDerWaalsContact SG-CB 3.57Å; F56-C116 HydrophobicContact CB-CB 4.45Å; F56-C116 HydrophobicContact CD2-CB 4.2Å; P62-C116 WeakPolarHBondContact CA-O 3.43Å; V63-C116 HydrophobicContact CG2-CB 4.03Å; V63-C116 PolarHBondContact N-O 3.4Å; V63-C116 PolarHBondContact O-N 2.86Å; V63-C116 VanDerWaalsContact O-N 3.1Å; C116-S118 PolarHBondContact SG-O 2.91Å; C116-S118 VanDerWaalsContact SG-O 3.35Å; C116-V123 HydrophobicContact CB-CG2 4.31Å
117	D	95	Very high	97.3	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.102	20%	0.199	C	C	.	.	S	Bend	trans	-117.3	-10.5	176.3	80.6	-45.1	0	0	0	113.4	R3 F56 P62 Y115 K121	R3-D117 IonicContact NH1-OD2 3.59Å; R3-D117 PolarHBondContact NH1-OD2 3.34Å; F56-D117 VanDerWaalsContact CE2-C 3.48Å; P62-D117 HydrophobicContact CG-CB 4.41Å; Y115-D117 HydrophobicContact CE1-CB 3.94Å; Y115-D117 VanDerWaalsContact OH-CB 3.25Å; Y115-D117 WeakPolarHBondContact OH-CB 3.13Å; D117-K121 IonicContact OD1-NZ 3.07Å; D117-K121 PolarHBondContact OD1-NZ 2.93Å; D117-K121 IonicContact OD2-NZ 3.51Å; D117-K121 PolarHBondContact OD2-NZ 3.37Å
118	S	94	Very high	97.2	Very high	27 Å²	27	38.3 Å²	38.3	19%	0.189	20%	0.2	C	C	.	.			trans	-160.8	147.3	-178	178.3	0	0	0	0	110.1	C116 E120	C116-S118 PolarHBondContact SG-O 2.91Å; C116-S118 VanDerWaalsContact SG-O 3.35Å; S118-E120 WeakPolarHBondContact OG-CB 3.3Å; S118-E120 PolarHBondContact OG-N 3.49Å; S118-E120 VanDerWaalsContact OG-N 3.08Å
119	L	92.5	Very high	97.2	Very high	110 Å²	110	40.9 Å²	40.9	58%	0.576	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.4	170.6	-63.9	179	0	0	0	113.1	L53 F56 K121	L53-L119 HydrophobicContact CD2-CD2 4.01Å; F56-L119 HydrophobicContact CD1-CD2 3.65Å; F56-L119 HydrophobicContact CD1-CG 3.93Å; F56-L119 HydrophobicContact CE1-CD1 4.35Å; F56-L119 HydrophobicContact CE1-CD2 3.94Å; F56-L119 HydrophobicContact CE1-CG 3.67Å; L119-K121 VanDerWaalsContact C-N 3.33Å
120	E	93.7	Very high	97.2	Very high	185 Å²	185	41.2 Å²	41.2	86%	0.864	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.2	178.6	-60.3	178.7	170.7	0	0	112.7	S118	S118-E120 WeakPolarHBondContact OG-CB 3.3Å; S118-E120 PolarHBondContact OG-N 3.49Å; S118-E120 VanDerWaalsContact OG-N 3.08Å
121	K	94	Very high	97.2	Very high	114 Å²	114	43.2 Å²	43.2	50%	0.496	23%	0.228	S	C	.	.	S	Bend	trans	-113.5	148.6	-179.8	-61	179.9	-164.6	160.8	0	110.3	D117 L119	D117-K121 IonicContact OD1-NZ 3.07Å; D117-K121 PolarHBondContact OD1-NZ 2.93Å; D117-K121 IonicContact OD2-NZ 3.51Å; D117-K121 PolarHBondContact OD2-NZ 3.37Å; L119-K121 VanDerWaalsContact C-N 3.33Å
122	P	96.5	Very high	97.2	Very high	102 Å²	102	43.2 Å²	43.2	66%	0.662	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-63.7	142.6	170.9	27.6	-33.7	0	0	0	110.6	Q124	P122-Q124 PolarHBondContact O-N 3.08Å; P122-Q124 PolarHBondContact O-NE2 2.82Å; P122-Q124 VanDerWaalsContact O-NE2 3.09Å
123	V	98	Very high	97.3	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.127	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57	128.8	171	176.4	0	0	0	0	109.1	I49 C52 L53 A114 Y115 C116 L125	I49-V123 HydrophobicContact CG1-CB 4.31Å; I49-V123 HydrophobicContact CG1-CG1 4.38Å; I49-V123 HydrophobicContact CG2-CB 4.49Å; I49-V123 HydrophobicContact CG2-CG2 4.18Å; C52-V123 HydrophobicContact CB-CG1 4.04Å; L53-V123 HydrophobicContact CD2-CG2 3.69Å; L53-V123 HydrophobicContact CG-CG2 3.91Å; A114-V123 HydrophobicContact CB-CG1 3.8Å; Y115-V123 WeakPolarHBondContact O-CA 3.44Å; Y115-V123 WeakPolarHBondContact O-CG1 3.22Å; C116-V123 HydrophobicContact CB-CG2 4.31Å; V123-L125 HydrophobicContact CG1-CD2 3.98Å
124	Q	98.2	Very high	97.3	Very high	73 Å²	73	45 Å²	45	34%	0.341	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.8	177.2	-57.2	-62.6	-52.4	0	0	109.3	A114 Y115 P122 F126 F182	A114-Q124 CarbonylContact C-O 3.55Å; A114-Q124 WeakPolarHBondContact CA-O 3.24Å; Y115-Q124 HydrophobicContact CD1-CB 4.46Å; Y115-Q124 HydrophobicContact CD1-CG 4.38Å; Y115-Q124 PolarHBondContact N-O 2.89Å; Y115-Q124 PolarHBondContact O-N 2.83Å; P122-Q124 PolarHBondContact O-N 3.08Å; P122-Q124 PolarHBondContact O-NE2 2.82Å; P122-Q124 VanDerWaalsContact O-NE2 3.09Å; Q124-F126 HydrophobicContact CB-CE2 3.81Å; Q124-F126 HydrophobicContact CB-CZ 3.73Å; Q124-F182 HydrophobicContact CG-CE2 4.14Å; Q124-F182 HydrophobicContact CG-CZ 4Å
125	L	98.5	Very high	97.3	Very high	54 Å²	54	46.5 Å²	46.5	28%	0.283	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.5	-179.9	-61.1	-176	0	0	0	111.2	E45 I49 T112 F113 A114 V123	E45-L125 HydrophobicContact CB-CD1 3.89Å; E45-L125 HydrophobicContact CG-CD1 3.82Å; I49-L125 HydrophobicContact CD1-CD1 4.1Å; I49-L125 HydrophobicContact CG1-CD1 4.05Å; I49-L125 HydrophobicContact CG1-CD2 4.06Å; I49-L125 HydrophobicContact CG1-CG 4.37Å; T112-L125 HydrophobicContact CG2-CB 4.34Å; T112-L125 HydrophobicContact CG2-CD2 4.16Å; F113-L125 WeakPolarHBondContact O-CA 3.46Å; A114-L125 HydrophobicContact CB-CD2 3.48Å; A114-L125 VanDerWaalsContact CB-CD2 3.48Å; V123-L125 HydrophobicContact CG1-CD2 3.98Å
126	F	98.6	Very high	97.3	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	102.7	179.1	-50.3	-83	0	0	0	109.3	T112 F113 Q124 K178 V179 F182	T112-F126 WeakPolarHBondContact CA-O 3.34Å; F113-F126 HydrophobicContact CB-CB 4.27Å; F113-F126 HydrophobicContact CB-CD2 4.35Å; F113-F126 PolarHBondContact N-O 3.06Å; F113-F126 PolarHBondContact O-N 3.19Å; Q124-F126 HydrophobicContact CB-CE2 3.81Å; Q124-F126 HydrophobicContact CB-CZ 3.73Å; F126-K178 HydrophobicContact CB-CB 4.08Å; F126-K178 HydrophobicContact CD1-CB 3.88Å; F126-K178 HydrophobicContact CG-CB 4.38Å; F126-V179 HydrophobicContact CB-CG2 3.81Å; F126-V179 HydrophobicContact CD2-CG2 3.57Å; F126-V179 HydrophobicContact CE2-CG2 4.28Å; F126-V179 HydrophobicContact CG-CG2 3.73Å; F126-F182 HydrophobicContact CE1-CB 3.58Å; F126-F182 HydrophobicContact CE1-CD1 4.42Å; F126-F182 HydrophobicContact CE1-CD2 4.1Å; F126-F182 AromaticContact CE1-CG 3.78Å; F126-F182 HydrophobicContact CE1-CG 3.78Å; F126-F182 HydrophobicContact CE2-CD1 4.35Å; F126-F182 HydrophobicContact CE2-CG 4.5Å; F126-F182 HydrophobicContact CZ-CB 3.66Å; F126-F182 AromaticContact CZ-CD1 3.63Å; F126-F182 HydrophobicContact CZ-CD1 3.63Å; F126-F182 AromaticContact CZ-CD2 3.83Å; F126-F182 HydrophobicContact CZ-CD2 3.83Å; F126-F182 HydrophobicContact CZ-CE1 4.24Å; F126-F182 HydrophobicContact CZ-CE2 4.4Å; F126-F182 AromaticContact CZ-CG 3.41Å; F126-F182 HydrophobicContact CZ-CG 3.41Å; F126-F182 VanDerWaalsContact CZ-CG 3.41Å
127	T	98.7	Very high	97.3	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.221	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.7	-175.1	-51.7	0	0	0	0	111.4	V110 C111 T112 I129 K178	V110-T127 HydrophobicContact CG1-CG2 3.55Å; C111-T127 CarbonylContact O-C 3.56Å; C111-T127 WeakPolarHBondContact O-CA 3.33Å; T112-T127 PolarHBondContact OG1-OG1 3.28Å; T127-I129 HydrophobicContact CG2-CD1 4.37Å; T127-I129 HydrophobicContact CG2-CG1 4.02Å; T127-K178 WeakPolarHBondContact O-CE 3.37Å; T127-K178 PolarHBondContact O-NZ 2.91Å
128	G	98.6	Very high	97.5	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.1	169.7	0	0	0	0	0	110.1	V110 C111 H171	V110-G128 WeakPolarHBondContact CA-O 3.46Å; C111-G128 PolarHBondContact N-O 2.85Å; C111-G128 PolarHBondContact O-N 3.24Å; G128-H171 WeakPolarHBondContact CA-O 3.17Å; G128-H171 WeakPolarHBondContact O-CB 3.31Å
129	I	98.7	Very high	97.7	Very high	80 Å²	80	55.6 Å²	55.6	41%	0.41	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.1	-176	-56.4	178.9	0	0	0	109.3	D108 A109 V110 T127 K174	D108-I129 HydrophobicContact CB-CG2 3.89Å; A109-I129 CarbonylContact O-C 3.59Å; A109-I129 WeakPolarHBondContact O-CA 3.46Å; V110-I129 HydrophobicContact CG1-CG1 4.25Å; V110-I129 HydrophobicContact CG2-CG1 4.26Å; V110-I129 HydrophobicContact CG2-CG2 4.45Å; T127-I129 HydrophobicContact CG2-CD1 4.37Å; T127-I129 HydrophobicContact CG2-CG1 4.02Å; I129-K174 VanDerWaalsContact O-CD 3.26Å; I129-K174 WeakPolarHBondContact O-CD 3.47Å; I129-K174 PolarHBondContact O-NZ 2.89Å
130	T	98.8	Very high	97.9	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.6	169.4	-55.9	0	0	0	0	109.3	A109 F149 P151 Y158 I169 H171 K174	A109-T130 PolarHBondContact N-O 2.69Å; A109-T130 PolarHBondContact O-N 2.66Å; T130-F149 HydrophobicContact CG2-CE1 4.26Å; T130-F149 HydrophobicContact CG2-CZ 4.46Å; T130-F149 WeakPolarHBondContact O-CZ 3.04Å; T130-P151 HydrophobicContact CG2-CB 3.82Å; T130-Y158 VanDerWaalsContact CB-OH 3.24Å; T130-Y158 WeakPolarHBondContact CB-OH 3Å; T130-Y158 VanDerWaalsContact CG2-OH 3.23Å; T130-Y158 WeakPolarHBondContact CG2-OH 3.29Å; T130-I169 PolarHBondContact OG1-O 3.41Å; T130-I169 VanDerWaalsContact OG1-O 3.06Å; T130-H171 PolarHBondContact OG1-N 2.82Å; T130-K174 PolarHBondContact OG1-NZ 3.35Å
131	P	98.8	Very high	98	Very high	49 Å²	49	51.4 Å²	51.4	32%	0.318	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.4	172.1	-19.4	33.6	0	0	0	111.9	D108 D152	D108-P131 WeakPolarHBondContact OD1-CA 3.46Å; P131-D152 WeakPolarHBondContact CB-OD2 3.39Å; P131-D152 PolarHBondContact O-N 3.08Å
132	G	98.8	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-162.9	179.7	0	0	0	0	0	113.4	R106 A107 Q150 D152	R106-G132 PolarHBondContact NE-O 3.31Å; R106-G132 PolarHBondContact NH1-O 3.25Å; A107-G132 PolarHBondContact N-O 3.21Å; A107-G132 CarbonylContact O-C 3.58Å; A107-G132 PolarHBondContact O-N 3.04Å; A107-G132 VanDerWaalsContact O-O 3.13Å; G132-Q150 CarbonylContact C-O 3.56Å; G132-Q150 WeakPolarHBondContact CA-O 3.46Å; G132-D152 WeakPolarHBondContact CA-OD1 3.23Å
133	C	98.7	Very high	97.9	Very high	34 Å²	34	48.1 Å²	48.1	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.2	175.7	-65.2	0	0	0	0	111.3	Y105 R106 V135 Q150	Y105-C133 CarbonylContact O-C 3.59Å; Y105-C133 VanDerWaalsContact O-CA 3.31Å; Y105-C133 WeakPolarHBondContact O-CA 3.32Å; R106-C133 PolarHBondContact NH1-SG 2.94Å; C133-V135 HydrophobicContact CB-CG1 4.47Å; C133-Q150 PolarHBondContact N-O 3.12Å; C133-Q150 PolarHBondContact O-N 3.25Å
134	I	98.8	Very high	97.8	Very high	4 Å²	4	49 Å²	49	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.3	164.9	-55.2	-52.7	0	0	0	108.6	L70 F72 P96 L99 Y105 A107 I148 F149	L70-I134 HydrophobicContact CD1-CD1 4.22Å; L70-I134 HydrophobicContact CD2-CD1 3.84Å; L70-I134 HydrophobicContact CG-CD1 4.24Å; F72-I134 HydrophobicContact CD1-CD1 4.04Å; F72-I134 HydrophobicContact CD1-CG1 3.77Å; F72-I134 HydrophobicContact CE1-CD1 3.55Å; F72-I134 HydrophobicContact CE1-CG1 3.58Å; F72-I134 HydrophobicContact CZ-CG1 4.41Å; P96-I134 HydrophobicContact CB-CG2 3.97Å; P96-I134 HydrophobicContact CG-CG2 3.76Å; L99-I134 HydrophobicContact CD1-CB 3.82Å; L99-I134 HydrophobicContact CD1-CG1 3.86Å; L99-I134 HydrophobicContact CD1-CG2 4.03Å; Y105-I134 WeakPolarHBondContact CB-O 3.19Å; Y105-I134 PolarHBondContact O-N 3.05Å; A107-I134 HydrophobicContact CB-CD1 3.58Å; A107-I134 HydrophobicContact CB-CG1 3.67Å; I134-I148 CarbonylContact C-O 3.6Å; I134-I148 VanDerWaalsContact CA-O 3.31Å; I134-I148 WeakPolarHBondContact CA-O 3.31Å; I134-I148 HydrophobicContact CG2-CD1 4.19Å; I134-F149 HydrophobicContact CD1-CD2 4.19Å
135	V	98.6	Very high	97.8	Very high	30 Å²	30	46.2 Å²	46.2	18%	0.182	27%	0.266	C	S	.	.			trans	-126.4	165.8	-178.7	-62.8	0	0	0	0	110.5	P96 C133 I148 Q150 T157	P96-V135 WeakPolarHBondContact CG-O 3.39Å; C133-V135 HydrophobicContact CB-CG1 4.47Å; V135-I148 WeakPolarHBondContact CG2-O 3.25Å; V135-I148 PolarHBondContact N-O 2.94Å; V135-I148 WeakPolarHBondContact O-CB 3.24Å; V135-Q150 HydrophobicContact CG1-CB 4.05Å; V135-Q150 HydrophobicContact CG2-CB 4.27Å; V135-T157 HydrophobicContact CG2-CG2 3.53Å
136	S	98.3	Very high	97.8	Very high	90 Å²	90	44.3 Å²	44.3	63%	0.629	26%	0.256	S	S	*	.	S	Bend	trans	-56.5	143.1	168	-70	0	0	0	0	110.3	R138	S136-R138 PolarHBondContact O-N 3.3Å
137	P	98.4	Very high	97.8	Very high	29 Å²	29	43.4 Å²	43.4	19%	0.188	25%	0.252	C	S	.	.			trans	-57.6	130.4	-173	-23.7	31.3	0	0	0	113.1	P92 D93 C147 I148	P92-P137 HydrophobicContact CB-CB 4.37Å; P92-P137 HydrophobicContact CB-CG 3.95Å; P92-P137 HydrophobicContact CG-CG 4.49Å; D93-P137 HydrophobicContact CB-CG 4.49Å; P137-C147 CarbonylContact C-O 3.6Å; P137-C147 VanDerWaalsContact CA-O 3.25Å; P137-C147 WeakPolarHBondContact CA-O 3.41Å; P137-C147 HydrophobicContact CB-CB 4.45Å; P137-I148 HydrophobicContact CB-CG2 4.02Å; P137-I148 HydrophobicContact CG-CG2 3.65Å
138	R	98.6	Very high	97.8	Very high	84 Å²	84	41.7 Å²	41.7	32%	0.317	24%	0.242	S	C	.	.			trans	-134.6	150.4	173	-63.6	-179.2	-70.9	164.2	-0.3	110.5	S136 C147 K155 T157 E160	S136-R138 PolarHBondContact O-N 3.3Å; R138-C147 PolarHBondContact N-O 3.35Å; R138-C147 VanDerWaalsContact O-CA 3.31Å; R138-C147 WeakPolarHBondContact O-CA 3.38Å; R138-C147 VanDerWaalsContact O-CB 3.24Å; R138-C147 WeakPolarHBondContact O-CB 3.18Å; R138-K155 PolarHBondContact NH1-O 2.62Å; R138-K155 PolarHBondContact NH2-O 3Å; R138-T157 HydrophobicContact CB-CG2 4.1Å; R138-T157 PolarHBondContact O-OG1 3.31Å; R138-E160 VanDerWaalsContact CB-CD 3.41Å; R138-E160 HydrophobicContact CB-CG 4.15Å; R138-E160 WeakPolarHBondContact CB-OE1 3.45Å; R138-E160 WeakPolarHBondContact CB-OE2 3.47Å; R138-E160 IonicContact CZ-OE2 3.56Å; R138-E160 IonicContact NE-OE2 3.56Å; R138-E160 IonicContact NH1-OE2 3.85Å; R138-E160 IonicContact NH2-OE2 3.97Å
139	G	98	Very high	97.8	Very high	42 Å²	42	41.6 Å²	41.6	43%	0.433	24%	0.241	S	C	.	.	S	Bend	trans	73	-170.4	-175.8	0	0	0	0	0	114.6
140	P	97.1	Very high	97.8	Very high	71 Å²	71	40.1 Å²	40.1	46%	0.461	23%	0.232	S	C	.	.			trans	-58.7	144.3	178.4	-25.3	35.7	0	0	0	113.8	D142 C147 A159	P140-D142 WeakPolarHBondContact CB-OD1 3.34Å; P140-C147 WeakPolarHBondContact O-CB 3.24Å; P140-A159 VanDerWaalsContact CD-O 3.31Å; P140-A159 WeakPolarHBondContact CD-O 3.12Å; P140-A159 VanDerWaalsContact O-CB 3.24Å; P140-A159 WeakPolarHBondContact O-CB 3.32Å
141	R	96.1	Very high	97.8	Very high	136 Å²	136	39.9 Å²	39.9	51%	0.513	23%	0.231	S	C	.	.			trans	-104.9	23.2	179.7	-60	-178.6	175.8	-151.7	-4.6	112.7	D93 C147	D93-R141 IonicContact OD1-CZ 3.17Å; D93-R141 IonicContact OD1-NH1 3.73Å; D93-R141 IonicContact OD1-NH2 2.69Å; D93-R141 PolarHBondContact OD1-NH2 3.01Å; D93-R141 IonicContact OD2-CZ 2.58Å; D93-R141 IonicContact OD2-NH1 2.66Å; D93-R141 PolarHBondContact OD2-NH1 3Å; D93-R141 IonicContact OD2-NH2 3.54Å; R141-C147 HydrophobicContact CG-CB 4.41Å
142	D	93.4	Very high	97.7	Very high	119 Å²	119	40.3 Å²	40.3	64%	0.636	23%	0.23	S	C	*	.	S	Bend	trans	-92.7	-7.4	-170.5	63.3	-17.5	0	0	0	114.1	N13 P140	N13-D142 PolarHBondContact ND2-O 3.14Å; P140-D142 WeakPolarHBondContact CB-OD1 3.34Å
143	F	94.9	Very high	97.7	Very high	28 Å²	28	48.3 Å²	48.3	12%	0.123	27%	0.273	C	S	.	.	S	Bend	trans	-133.4	91.6	176.3	-169.4	-157.9	0	0	0	113.9	N13 K14 E17 W145 D146	N13-F143 HydrophobicContact CB-CD1 4.2Å; N13-F143 HydrophobicContact CB-CD2 3.54Å; N13-F143 HydrophobicContact CB-CE1 4.18Å; N13-F143 HydrophobicContact CB-CE2 3.52Å; N13-F143 HydrophobicContact CB-CG 3.9Å; N13-F143 HydrophobicContact CB-CZ 3.85Å; K14-F143 HydrophobicContact CG-CE2 4.1Å; K14-F143 HydrophobicContact CG-CZ 4.08Å; E17-F143 WeakPolarHBondContact OE1-CE1 3.23Å; F143-W145 PolarHBondContact O-N 3.42Å; F143-D146 WeakPolarHBondContact CD1-OD2 3.34Å; F143-D146 WeakPolarHBondContact O-CB 3.26Å; F143-D146 PolarHBondContact O-N 2.84Å
144	G	95.2	Very high	97.6	Very high	39 Å²	39	49.8 Å²	49.8	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-131.7	171.3	0	0	0	0	0	112.7	L87	L87-G144 WeakPolarHBondContact CD2-O 3.24Å
145	W	97.9	Very high	97.6	Very high	15 Å²	15	58.3 Å²	58.3	6%	0.057	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.3	-178.4	45.7	-102.6	0	0	0	113	L70 I83 L87 L95 A109 F143 C147 I148 F149 Y158 H171	L70-W145 HydrophobicContact CB-CD2 4.27Å; L70-W145 HydrophobicContact CB-CZ2 4.19Å; L70-W145 HydrophobicContact CD1-CD2 4.25Å; L70-W145 HydrophobicContact CD1-CE3 3.93Å; L70-W145 HydrophobicContact CD1-CH2 3.99Å; L70-W145 HydrophobicContact CD1-CZ2 4.27Å; L70-W145 HydrophobicContact CD1-CZ3 3.81Å; L70-W145 HydrophobicContact CD2-CB 4.1Å; L70-W145 HydrophobicContact CD2-CD2 3.7Å; L70-W145 HydrophobicContact CD2-CE3 3.9Å; L70-W145 HydrophobicContact CD2-CG 3.79Å; L70-W145 HydrophobicContact CG-CD2 4.3Å; L70-W145 HydrophobicContact CG-CE3 4.42Å; I83-W145 HydrophobicContact CG1-CG 4.11Å; L87-W145 HydrophobicContact CD2-CB 4.42Å; L95-W145 HydrophobicContact CD1-CB 4.45Å; A109-W145 HydrophobicContact CB-CH2 3.53Å; A109-W145 HydrophobicContact CB-CZ3 3.96Å; F143-W145 PolarHBondContact O-N 3.42Å; W145-C147 PolarHBondContact O-N 3.42Å; W145-C147 VanDerWaalsContact O-N 3.13Å; W145-I148 HydrophobicContact CB-CD1 4.09Å; W145-I148 HydrophobicContact CB-CG1 3.94Å; W145-I148 WeakPolarHBondContact O-CG1 3.43Å; W145-I148 PolarHBondContact O-N 3.23Å; W145-F149 HydrophobicContact CE3-CB 3.74Å; W145-F149 HydrophobicContact CE3-CG 4.31Å; W145-F149 HydrophobicContact CZ3-CB 3.74Å; W145-F149 HydrophobicContact CZ3-CD1 4.23Å; W145-F149 HydrophobicContact CZ3-CD2 4.37Å; W145-F149 AromaticContact CZ3-CG 3.84Å; W145-F149 HydrophobicContact CZ3-CG 3.84Å; W145-Y158 HydrophobicContact CH2-CE2 4.49Å; W145-Y158 HydrophobicContact CZ3-CD2 4.13Å; W145-Y158 HydrophobicContact CZ3-CE2 4.14Å; W145-H171 AromaticContact CH2-CE1 3.65Å; W145-H171 AromaticContact CH2-NE2 3.75Å
146	D	98.3	Very high	97.6	Very high	14 Å²	14	60.7 Å²	60.7	8%	0.075	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-56	-35.4	-177	-83.5	2.9	0	0	0	113.1	F143 I148 F149 Y158 A159 K166	F143-D146 WeakPolarHBondContact CD1-OD2 3.34Å; F143-D146 WeakPolarHBondContact O-CB 3.26Å; F143-D146 PolarHBondContact O-N 2.84Å; D146-I148 PolarHBondContact O-N 2.89Å; D146-F149 PolarHBondContact O-N 2.87Å; D146-Y158 PolarHBondContact O-N 2.98Å; D146-A159 HydrophobicContact CB-CB 4.08Å; D146-A159 PolarHBondContact O-N 3.22Å; D146-K166 IonicContact OD1-NZ 2.75Å; D146-K166 IonicContact OD2-NZ 2.78Å; D146-K166 PolarHBondContact OD2-NZ 3.49Å
147	C	98.5	Very high	97.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.014	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-67.3	-12.7	-179.3	61.9	0	0	0	0	114.4	P92 P137 R138 P140 R141 W145 T157 A159	P92-C147 VanDerWaalsContact CB-SG 3.53Å; P137-C147 CarbonylContact C-O 3.6Å; P137-C147 VanDerWaalsContact CA-O 3.25Å; P137-C147 WeakPolarHBondContact CA-O 3.41Å; P137-C147 HydrophobicContact CB-CB 4.45Å; R138-C147 PolarHBondContact N-O 3.35Å; R138-C147 VanDerWaalsContact O-CA 3.31Å; R138-C147 WeakPolarHBondContact O-CA 3.38Å; R138-C147 VanDerWaalsContact O-CB 3.24Å; R138-C147 WeakPolarHBondContact O-CB 3.18Å; P140-C147 WeakPolarHBondContact O-CB 3.24Å; R141-C147 HydrophobicContact CG-CB 4.41Å; W145-C147 PolarHBondContact O-N 3.42Å; W145-C147 VanDerWaalsContact O-N 3.13Å; C147-T157 WeakPolarHBondContact O-CG2 3.48Å; C147-A159 HydrophobicContact CB-CB 3.9Å
148	I	98.7	Very high	97.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-113.3	-3.8	179.6	62.5	162.1	0	0	0	113.5	L70 P92 L95 P96 I134 V135 P137 W145 D146	L70-I148 HydrophobicContact CD2-CD1 4.37Å; P92-I148 HydrophobicContact CB-CG2 4Å; P92-I148 WeakPolarHBondContact O-CG2 3.44Å; L95-I148 HydrophobicContact CB-CD1 3.57Å; L95-I148 HydrophobicContact CD1-CD1 3.43Å; L95-I148 VanDerWaalsContact CD1-CD1 3.43Å; L95-I148 HydrophobicContact CG-CD1 4.15Å; P96-I148 HydrophobicContact CG-CG2 4.25Å; I134-I148 CarbonylContact C-O 3.6Å; I134-I148 VanDerWaalsContact CA-O 3.31Å; I134-I148 WeakPolarHBondContact CA-O 3.31Å; I134-I148 HydrophobicContact CG2-CD1 4.19Å; V135-I148 WeakPolarHBondContact CG2-O 3.25Å; V135-I148 PolarHBondContact N-O 2.94Å; V135-I148 WeakPolarHBondContact O-CB 3.24Å; P137-I148 HydrophobicContact CB-CG2 4.02Å; P137-I148 HydrophobicContact CG-CG2 3.65Å; W145-I148 HydrophobicContact CB-CD1 4.09Å; W145-I148 HydrophobicContact CB-CG1 3.94Å; W145-I148 WeakPolarHBondContact O-CG1 3.43Å; W145-I148 PolarHBondContact O-N 3.23Å; D146-I148 PolarHBondContact O-N 2.89Å
149	F	98.8	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.6	-177	-176.4	-96.4	0	0	0	110.6	L70 A107 A109 T130 I134 W145 D146 P151 T157 Y158	L70-F149 HydrophobicContact CD1-CD2 3.73Å; L70-F149 HydrophobicContact CD1-CE2 4.19Å; L70-F149 HydrophobicContact CD1-CG 4.48Å; A107-F149 HydrophobicContact CB-CE2 4.43Å; A109-F149 HydrophobicContact CB-CD1 4.23Å; A109-F149 HydrophobicContact CB-CD2 4.37Å; A109-F149 HydrophobicContact CB-CE1 3.77Å; A109-F149 HydrophobicContact CB-CE2 3.93Å; A109-F149 HydrophobicContact CB-CZ 3.62Å; T130-F149 HydrophobicContact CG2-CE1 4.26Å; T130-F149 HydrophobicContact CG2-CZ 4.46Å; T130-F149 WeakPolarHBondContact O-CZ 3.04Å; I134-F149 HydrophobicContact CD1-CD2 4.19Å; W145-F149 HydrophobicContact CE3-CB 3.74Å; W145-F149 HydrophobicContact CE3-CG 4.31Å; W145-F149 HydrophobicContact CZ3-CB 3.74Å; W145-F149 HydrophobicContact CZ3-CD1 4.23Å; W145-F149 HydrophobicContact CZ3-CD2 4.37Å; W145-F149 AromaticContact CZ3-CG 3.84Å; W145-F149 HydrophobicContact CZ3-CG 3.84Å; D146-F149 PolarHBondContact O-N 2.87Å; F149-P151 HydrophobicContact CE1-CB 3.89Å; F149-T157 CarbonylContact O-C 3.51Å; F149-T157 WeakPolarHBondContact O-CA 3.44Å; F149-Y158 HydrophobicContact CB-CD2 4.49Å; F149-Y158 HydrophobicContact CD1-CD1 4.23Å; F149-Y158 AromaticContact CD1-CD2 3.61Å; F149-Y158 HydrophobicContact CD1-CD2 3.61Å; F149-Y158 HydrophobicContact CD1-CE1 4.02Å; F149-Y158 AromaticContact CD1-CE2 3.31Å; F149-Y158 HydrophobicContact CD1-CE2 3.31Å; F149-Y158 HydrophobicContact CD1-CG 4.04Å; F149-Y158 AromaticContact CD1-CZ 3.55Å; F149-Y158 HydrophobicContact CE1-CD2 4.36Å; F149-Y158 HydrophobicContact CE1-CE1 4.03Å; F149-Y158 AromaticContact CE1-CE2 3.63Å; F149-Y158 HydrophobicContact CE1-CE2 3.63Å; F149-Y158 AromaticContact CE1-CZ 3.44Å; F149-Y158 VanDerWaalsContact CE1-CZ 3.44Å; F149-Y158 WeakPolarHBondContact CE1-OH 3.44Å; F149-Y158 HydrophobicContact CG-CD2 4.43Å; F149-Y158 HydrophobicContact CG-CE2 4.33Å; F149-Y158 PolarHBondContact O-N 2.84Å
150	Q	98.8	Very high	97.6	Very high	50 Å²	50	53.1 Å²	53.1	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.5	171.4	-177.6	-178.4	-70.4	0	0	109	G132 C133 V135 F154 K155	G132-Q150 CarbonylContact C-O 3.56Å; G132-Q150 WeakPolarHBondContact CA-O 3.46Å; C133-Q150 PolarHBondContact N-O 3.12Å; C133-Q150 PolarHBondContact O-N 3.25Å; V135-Q150 HydrophobicContact CG1-CB 4.05Å; V135-Q150 HydrophobicContact CG2-CB 4.27Å; Q150-F154 WeakPolarHBondContact CG-O 3.43Å; Q150-F154 PolarHBondContact NE2-O 3.17Å; Q150-K155 PolarHBondContact OE1-O 3.18Å
151	P	98.7	Very high	97.6	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	154.2	176.4	28.3	-33.8	0	0	0	111.6	T130 F149 F154 Y158 M161 I169	T130-P151 HydrophobicContact CG2-CB 3.82Å; F149-P151 HydrophobicContact CE1-CB 3.89Å; P151-F154 HydrophobicContact CB-CD2 4.37Å; P151-F154 HydrophobicContact CG-CB 4.05Å; P151-F154 HydrophobicContact CG-CD2 3.94Å; P151-F154 HydrophobicContact CG-CG 4.2Å; P151-F154 PolarHBondContact O-N 3.38Å; P151-Y158 HydrophobicContact CB-CE1 3.99Å; P151-Y158 HydrophobicContact CG-CD1 4.01Å; P151-Y158 HydrophobicContact CG-CE1 3.69Å; P151-M161 HydrophobicContact CG-CE 3.32Å; P151-M161 HydrophobicContact CG-SD 4.34Å; P151-I169 HydrophobicContact CB-CD1 4.27Å; P151-I169 HydrophobicContact CG-CD1 3.86Å
152	D	98.5	Very high	97.6	Very high	57 Å²	57	49.1 Å²	49.1	31%	0.305	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	143.9	175.7	-74.3	-13.5	0	0	0	112.1	R106 P131 G132 F154	R106-D152 IonicContact CZ-OD1 3.31Å; R106-D152 VanDerWaalsContact CZ-OD1 3.31Å; R106-D152 IonicContact CZ-OD2 3.72Å; R106-D152 IonicContact NH1-OD1 2.67Å; R106-D152 PolarHBondContact NH1-OD1 3.03Å; R106-D152 IonicContact NH1-OD2 3.79Å; R106-D152 VanDerWaalsContact NH2-CG 3.3Å; R106-D152 IonicContact NH2-OD1 3.07Å; R106-D152 PolarHBondContact NH2-OD1 2.98Å; R106-D152 IonicContact NH2-OD2 2.75Å; R106-D152 PolarHBondContact NH2-OD2 2.93Å; P131-D152 WeakPolarHBondContact CB-OD2 3.39Å; P131-D152 PolarHBondContact O-N 3.08Å; G132-D152 WeakPolarHBondContact CA-OD1 3.23Å; D152-F154 VanDerWaalsContact O-CD2 3.28Å; D152-F154 WeakPolarHBondContact O-CD2 3.36Å; D152-F154 PolarHBondContact O-N 3.03Å
153	N	97.3	Very high	97.6	Very high	168 Å²	168	49.7 Å²	49.7	90%	0.898	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	7.4	-177.5	-46.8	-61.3	0	0	0	115.6
154	F	97.7	Very high	97.5	Very high	65 Å²	65	52.6 Å²	52.6	29%	0.285	28%	0.275	S	S	.	.			trans	-120.1	152.8	172.5	-65.3	-96.1	0	0	0	111.6	Q150 P151 D152 M161 I165 I169	Q150-F154 WeakPolarHBondContact CG-O 3.43Å; Q150-F154 PolarHBondContact NE2-O 3.17Å; P151-F154 HydrophobicContact CB-CD2 4.37Å; P151-F154 HydrophobicContact CG-CB 4.05Å; P151-F154 HydrophobicContact CG-CD2 3.94Å; P151-F154 HydrophobicContact CG-CG 4.2Å; P151-F154 PolarHBondContact O-N 3.38Å; D152-F154 VanDerWaalsContact O-CD2 3.28Å; D152-F154 WeakPolarHBondContact O-CD2 3.36Å; D152-F154 PolarHBondContact O-N 3.03Å; F154-M161 HydrophobicContact CB-CE 3.49Å; F154-M161 VanDerWaalsContact CB-CE 3.49Å; F154-M161 HydrophobicContact CD1-CE 3.61Å; F154-M161 HydrophobicContact CD2-CE 4.17Å; F154-M161 HydrophobicContact CE1-CE 4.41Å; F154-M161 HydrophobicContact CG-CE 3.48Å; F154-M161 VanDerWaalsContact CG-CE 3.48Å; F154-I165 HydrophobicContact CE1-CG2 4.03Å; F154-I169 HydrophobicContact CD2-CD1 3.74Å; F154-I169 HydrophobicContact CE1-CD1 4.21Å; F154-I169 HydrophobicContact CE2-CD1 3.37Å; F154-I169 HydrophobicContact CE2-CG2 4.08Å; F154-I169 HydrophobicContact CG-CD1 4.35Å; F154-I169 HydrophobicContact CZ-CD1 3.64Å; F154-I169 HydrophobicContact CZ-CG2 3.89Å
155	K	97.9	Very high	97.6	Very high	183 Å²	183	53.6 Å²	53.6	80%	0.796	27%	0.27	S	S	*	.	S	Bend	trans	-96.3	-12.9	173.8	-63.8	-175.6	179	-179.4	0	113.3	R138 Q150	R138-K155 PolarHBondContact NH1-O 2.62Å; R138-K155 PolarHBondContact NH2-O 3Å; Q150-K155 PolarHBondContact OE1-O 3.18Å
156	Q	98.6	Very high	97.5	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	27%	0.269	S	S	.	.	S	Bend	trans	-95.9	146.5	-178.8	-72.6	166.1	-82.8	0	0	110.3	E160 M161	Q156-E160 HydrophobicContact CB-CB 3.94Å; Q156-E160 HydrophobicContact CG-CB 4.11Å; Q156-E160 PolarHBondContact NE2-O 2.92Å; Q156-M161 HydrophobicContact CB-CE 4.21Å; Q156-M161 HydrophobicContact CB-CG 3.95Å; Q156-M161 WeakPolarHBondContact O-CE 3.28Å
157	T	98.7	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.			trans	-72.3	162.6	162.8	60.5	0	0	0	0	110.8	V135 R138 C147 F149 A159 E160 M161	V135-T157 HydrophobicContact CG2-CG2 3.53Å; R138-T157 HydrophobicContact CB-CG2 4.1Å; R138-T157 PolarHBondContact O-OG1 3.31Å; C147-T157 WeakPolarHBondContact O-CG2 3.48Å; F149-T157 CarbonylContact O-C 3.51Å; F149-T157 WeakPolarHBondContact O-CA 3.44Å; T157-A159 PolarHBondContact O-N 3.03Å; T157-E160 WeakPolarHBondContact CB-OE2 3.29Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.35Å; T157-E160 PolarHBondContact N-OE2 2.73Å; T157-E160 PolarHBondContact O-N 3.06Å; T157-E160 WeakPolarHBondContact OG1-CG 3.4Å; T157-E160 PolarHBondContact OG1-N 3.1Å; T157-E160 PolarHBondContact OG1-OE2 3.31Å; T157-M161 WeakPolarHBondContact O-CG 3.42Å; T157-M161 PolarHBondContact O-N 3.34Å
158	Y	98.4	Very high	97.1	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.6	-32.7	173.5	-79.5	-15.6	0	0	0	113.2	A109 T130 W145 D146 F149 P151 E160 M161 K166 I169 H171	A109-Y158 HydrophobicContact CB-CE2 4.22Å; T130-Y158 VanDerWaalsContact CB-OH 3.24Å; T130-Y158 WeakPolarHBondContact CB-OH 3Å; T130-Y158 VanDerWaalsContact CG2-OH 3.23Å; T130-Y158 WeakPolarHBondContact CG2-OH 3.29Å; W145-Y158 HydrophobicContact CH2-CE2 4.49Å; W145-Y158 HydrophobicContact CZ3-CD2 4.13Å; W145-Y158 HydrophobicContact CZ3-CE2 4.14Å; D146-Y158 PolarHBondContact O-N 2.98Å; F149-Y158 HydrophobicContact CB-CD2 4.49Å; F149-Y158 HydrophobicContact CD1-CD1 4.23Å; F149-Y158 AromaticContact CD1-CD2 3.61Å; F149-Y158 HydrophobicContact CD1-CD2 3.61Å; F149-Y158 HydrophobicContact CD1-CE1 4.02Å; F149-Y158 AromaticContact CD1-CE2 3.31Å; F149-Y158 HydrophobicContact CD1-CE2 3.31Å; F149-Y158 HydrophobicContact CD1-CG 4.04Å; F149-Y158 AromaticContact CD1-CZ 3.55Å; F149-Y158 HydrophobicContact CE1-CD2 4.36Å; F149-Y158 HydrophobicContact CE1-CE1 4.03Å; F149-Y158 AromaticContact CE1-CE2 3.63Å; F149-Y158 HydrophobicContact CE1-CE2 3.63Å; F149-Y158 AromaticContact CE1-CZ 3.44Å; F149-Y158 VanDerWaalsContact CE1-CZ 3.44Å; F149-Y158 WeakPolarHBondContact CE1-OH 3.44Å; F149-Y158 HydrophobicContact CG-CD2 4.43Å; F149-Y158 HydrophobicContact CG-CE2 4.33Å; F149-Y158 PolarHBondContact O-N 2.84Å; P151-Y158 HydrophobicContact CB-CE1 3.99Å; P151-Y158 HydrophobicContact CG-CD1 4.01Å; P151-Y158 HydrophobicContact CG-CE1 3.69Å; Y158-E160 VanDerWaalsContact C-N 3.33Å; Y158-M161 HydrophobicContact CD1-SD 3.93Å; Y158-M161 PolarHBondContact O-N 2.84Å; Y158-K166 HydrophobicContact CD1-CG 4.12Å; Y158-K166 HydrophobicContact CG-CD 4.36Å; Y158-K166 HydrophobicContact CG-CG 4.32Å; Y158-I169 HydrophobicContact CE1-CD1 4.36Å; Y158-H171 AromaticContact CE2-CE1 3.75Å; Y158-H171 AromaticContact CE2-ND1 3.62Å
159	A	98.1	Very high	97	Very high	19 Å²	19	59.1 Å²	59.1	16%	0.157	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-71.2	-28.7	177.8	0	0	0	0	0	113.1	P140 D146 C147 T157	P140-A159 VanDerWaalsContact CD-O 3.31Å; P140-A159 WeakPolarHBondContact CD-O 3.12Å; P140-A159 VanDerWaalsContact O-CB 3.24Å; P140-A159 WeakPolarHBondContact O-CB 3.32Å; D146-A159 HydrophobicContact CB-CB 4.08Å; D146-A159 PolarHBondContact O-N 3.22Å; C147-A159 HydrophobicContact CB-CB 3.9Å; T157-A159 PolarHBondContact O-N 3.03Å
160	E	98.5	Very high	97	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.304	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-83.8	-12.1	177.5	-69.7	168.7	119.2	0	0	113.3	R138 Q156 T157 Y158	R138-E160 VanDerWaalsContact CB-CD 3.41Å; R138-E160 HydrophobicContact CB-CG 4.15Å; R138-E160 WeakPolarHBondContact CB-OE1 3.45Å; R138-E160 WeakPolarHBondContact CB-OE2 3.47Å; R138-E160 IonicContact CZ-OE2 3.56Å; R138-E160 IonicContact NE-OE2 3.56Å; R138-E160 IonicContact NH1-OE2 3.85Å; R138-E160 IonicContact NH2-OE2 3.97Å; Q156-E160 HydrophobicContact CB-CB 3.94Å; Q156-E160 HydrophobicContact CG-CB 4.11Å; Q156-E160 PolarHBondContact NE2-O 2.92Å; T157-E160 WeakPolarHBondContact CB-OE2 3.29Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.35Å; T157-E160 PolarHBondContact N-OE2 2.73Å; T157-E160 PolarHBondContact O-N 3.06Å; T157-E160 WeakPolarHBondContact OG1-CG 3.4Å; T157-E160 PolarHBondContact OG1-N 3.1Å; T157-E160 PolarHBondContact OG1-OE2 3.31Å; Y158-E160 VanDerWaalsContact C-N 3.33Å
161	M	97.6	Very high	96.9	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	30%	0.296	C	S	.	.	S	Bend	trans	-80.4	144.8	-178.5	-72	179.6	-178.4	0	0	111.9	P151 F154 Q156 T157 Y158 K163 K166 I169	P151-M161 HydrophobicContact CG-CE 3.32Å; P151-M161 HydrophobicContact CG-SD 4.34Å; F154-M161 HydrophobicContact CB-CE 3.49Å; F154-M161 VanDerWaalsContact CB-CE 3.49Å; F154-M161 HydrophobicContact CD1-CE 3.61Å; F154-M161 HydrophobicContact CD2-CE 4.17Å; F154-M161 HydrophobicContact CE1-CE 4.41Å; F154-M161 HydrophobicContact CG-CE 3.48Å; F154-M161 VanDerWaalsContact CG-CE 3.48Å; Q156-M161 HydrophobicContact CB-CE 4.21Å; Q156-M161 HydrophobicContact CB-CG 3.95Å; Q156-M161 WeakPolarHBondContact O-CE 3.28Å; T157-M161 WeakPolarHBondContact O-CG 3.42Å; T157-M161 PolarHBondContact O-N 3.34Å; Y158-M161 HydrophobicContact CD1-SD 3.93Å; Y158-M161 PolarHBondContact O-N 2.84Å; M161-K163 PolarHBondContact O-N 3.36Å; M161-K166 HydrophobicContact CB-CB 4.21Å; M161-I169 HydrophobicContact CE-CD1 4Å; M161-I169 HydrophobicContact SD-CD1 3.9Å
162	D	95.9	Very high	96.9	Very high	109 Å²	109	56.9 Å²	56.9	58%	0.583	30%	0.296	S	S	*	.			trans	-57.3	139.2	161.6	-71.9	-40.8	0	0	0	110.1	S164 I165 K166	D162-S164 PolarHBondContact O-N 3.13Å; D162-S164 VanDerWaalsContact O-N 3.12Å; D162-I165 HydrophobicContact CB-CD1 4.15Å; D162-I165 HydrophobicContact CB-CG1 4.22Å; D162-I165 PolarHBondContact O-N 2.86Å; D162-K166 PolarHBondContact O-N 2.79Å
163	K	93.1	Very high	96.8	Very high	131 Å²	131	54.4 Å²	54.4	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-56.6	-33.6	-176.9	-65.9	-175.6	179.2	-178.1	0	112.5	M161 N167	M161-K163 PolarHBondContact O-N 3.36Å; K163-N167 VanDerWaalsContact O-CB 3.22Å; K163-N167 WeakPolarHBondContact O-CB 3.45Å; K163-N167 PolarHBondContact O-N 3.19Å; K163-N167 PolarHBondContact O-OD1 3.03Å
164	S	93.8	Very high	96.9	Very high	90 Å²	90	50.3 Å²	50.3	63%	0.629	26%	0.258	S	S	*	.	H	α-helix	trans	-66.7	-43.3	176.3	51.5	0	0	0	0	112.5	D162 N167 S168	D162-S164 PolarHBondContact O-N 3.13Å; D162-S164 VanDerWaalsContact O-N 3.12Å; S164-N167 PolarHBondContact O-N 2.91Å; S164-S168 PolarHBondContact O-N 2.91Å; S164-S168 VanDerWaalsContact O-N 3.14Å
165	I	95.6	Very high	96.9	Very high	60 Å²	60	47.2 Å²	47.2	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-46.5	177.3	-60.9	175.3	0	0	0	109.9	F154 D162 N167 S168	F154-I165 HydrophobicContact CE1-CG2 4.03Å; D162-I165 HydrophobicContact CB-CD1 4.15Å; D162-I165 HydrophobicContact CB-CG1 4.22Å; D162-I165 PolarHBondContact O-N 2.86Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 2.9Å; I165-S168 PolarHBondContact O-N 3.03Å; I165-S168 VanDerWaalsContact O-N 3.08Å; I165-S168 PolarHBondContact O-OG 3.12Å
166	K	96.6	Very high	96.8	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-55.7	-48.8	175.1	-176.9	-172.5	173.1	-167.6	0	110.7	E17 D146 Y158 M161 D162 S168 I169 S170	E17-K166 WeakPolarHBondContact OE1-CE 3.49Å; E17-K166 IonicContact OE1-NZ 3.58Å; E17-K166 PolarHBondContact OE1-NZ 2.7Å; E17-K166 IonicContact OE2-NZ 3.23Å; D146-K166 IonicContact OD1-NZ 2.75Å; D146-K166 IonicContact OD2-NZ 2.78Å; D146-K166 PolarHBondContact OD2-NZ 3.49Å; Y158-K166 HydrophobicContact CD1-CG 4.12Å; Y158-K166 HydrophobicContact CG-CD 4.36Å; Y158-K166 HydrophobicContact CG-CG 4.32Å; M161-K166 HydrophobicContact CB-CB 4.21Å; D162-K166 PolarHBondContact O-N 2.79Å; K166-S168 PolarHBondContact O-N 3.2Å; K166-I169 PolarHBondContact O-N 3.28Å; K166-I169 VanDerWaalsContact O-N 3.12Å; K166-S170 WeakPolarHBondContact O-CB 3.46Å; K166-S170 PolarHBondContact O-N 3.08Å
167	N	94.2	Very high	96.7	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-17	-179.8	-74	-0.6	0	0	0	113.7	I21 K163 S164 I165 S173	I21-N167 HydrophobicContact CD1-CB 4.32Å; I21-N167 HydrophobicContact CG1-CB 4.08Å; K163-N167 VanDerWaalsContact O-CB 3.22Å; K163-N167 WeakPolarHBondContact O-CB 3.45Å; K163-N167 PolarHBondContact O-N 3.19Å; K163-N167 PolarHBondContact O-OD1 3.03Å; S164-N167 PolarHBondContact O-N 2.91Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 2.9Å; N167-S173 WeakPolarHBondContact O-CB 3.42Å; N167-S173 PolarHBondContact O-OG 3.14Å
168	S	94.3	Very high	96.7	Very high	88 Å²	88	44 Å²	44	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-83	-21.7	174.5	73	0	0	0	0	113.5	S164 I165 K166	S164-S168 PolarHBondContact O-N 2.91Å; S164-S168 VanDerWaalsContact O-N 3.14Å; I165-S168 PolarHBondContact O-N 3.03Å; I165-S168 VanDerWaalsContact O-N 3.08Å; I165-S168 PolarHBondContact O-OG 3.12Å; K166-S168 PolarHBondContact O-N 3.2Å
169	I	96.5	Very high	96.6	Very high	28 Å²	28	43.9 Å²	43.9	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-118.3	-17.3	-174.5	67.4	173.9	0	0	0	114.7	T130 P151 F154 Y158 M161 K166 K174	T130-I169 PolarHBondContact OG1-O 3.41Å; T130-I169 VanDerWaalsContact OG1-O 3.06Å; P151-I169 HydrophobicContact CB-CD1 4.27Å; P151-I169 HydrophobicContact CG-CD1 3.86Å; F154-I169 HydrophobicContact CD2-CD1 3.74Å; F154-I169 HydrophobicContact CE1-CD1 4.21Å; F154-I169 HydrophobicContact CE2-CD1 3.37Å; F154-I169 HydrophobicContact CE2-CG2 4.08Å; F154-I169 HydrophobicContact CG-CD1 4.35Å; F154-I169 HydrophobicContact CZ-CD1 3.64Å; F154-I169 HydrophobicContact CZ-CG2 3.89Å; Y158-I169 HydrophobicContact CE1-CD1 4.36Å; M161-I169 HydrophobicContact CE-CD1 4Å; M161-I169 HydrophobicContact SD-CD1 3.9Å; K166-I169 PolarHBondContact O-N 3.28Å; K166-I169 VanDerWaalsContact O-N 3.12Å; I169-K174 WeakPolarHBondContact O-CE 3.21Å; I169-K174 PolarHBondContact O-NZ 3.14Å; I169-K174 VanDerWaalsContact O-NZ 3.1Å
170	S	97.7	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.			trans	-62.8	155.2	-167.7	71.1	0	0	0	0	113.9	K166 R172 S173 K174	K166-S170 WeakPolarHBondContact O-CB 3.46Å; K166-S170 PolarHBondContact O-N 3.08Å; S170-R172 PolarHBondContact O-N 2.83Å; S170-S173 PolarHBondContact N-OG 3Å; S170-S173 PolarHBondContact O-N 3.01Å; S170-S173 PolarHBondContact O-OG 3.49Å; S170-S173 WeakPolarHBondContact OG-CB 3.17Å; S170-S173 PolarHBondContact OG-N 3.14Å; S170-S173 PolarHBondContact OG-OG 3.17Å; S170-K174 WeakPolarHBondContact O-CG 3.3Å; S170-K174 PolarHBondContact O-N 3.49Å
171	H	98.3	Very high	96.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-52.4	-41.2	167.5	57.9	-65.6	0	0	0	112.5	A109 V110 C111 G128 T130 W145 Y158 A175	A109-H171 HydrophobicContact CB-CB 4.24Å; A109-H171 VanDerWaalsContact O-CB 3.23Å; A109-H171 WeakPolarHBondContact O-CB 3.48Å; V110-H171 VanDerWaalsContact C-CD2 3.44Å; V110-H171 PolarHBondContact O-CD2 2.96Å; C111-H171 HydrophobicContact CB-CB 4.18Å; C111-H171 VanDerWaalsContact CB-CD2 3.48Å; C111-H171 WeakPolarHBondContact CB-CD2 3.48Å; C111-H171 PolarHBondContact N-CD2 2.85Å; G128-H171 WeakPolarHBondContact CA-O 3.17Å; G128-H171 WeakPolarHBondContact O-CB 3.31Å; T130-H171 PolarHBondContact OG1-N 2.82Å; W145-H171 AromaticContact CH2-CE1 3.65Å; W145-H171 AromaticContact CH2-NE2 3.75Å; Y158-H171 AromaticContact CE2-CE1 3.75Å; Y158-H171 AromaticContact CE2-ND1 3.62Å; H171-A175 WeakPolarHBondContact O-CB 3.22Å; H171-A175 PolarHBondContact O-N 3.23Å
172	R	97.8	Very high	96.1	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-47.2	177.3	-179.6	175	-72.9	91.3	12.5	112.6	E17 I21 E66 C111 F113 S170 A175 L176	E17-R172 IonicContact OE2-CZ 2.82Å; E17-R172 IonicContact OE2-NE 3.55Å; E17-R172 IonicContact OE2-NH1 2.94Å; E17-R172 PolarHBondContact OE2-NH1 2.61Å; I21-R172 HydrophobicContact CD1-CG 4.22Å; E66-R172 IonicContact OE1-CZ 2.75Å; E66-R172 IonicContact OE1-NE 3.51Å; E66-R172 PolarHBondContact OE1-NE 2.77Å; E66-R172 IonicContact OE1-NH2 3.84Å; E66-R172 PolarHBondContact OE1-NH2 3.42Å; E66-R172 IonicContact OE2-CZ 3.83Å; E66-R172 IonicContact OE2-NE 3.63Å; E66-R172 PolarHBondContact OE2-NE 2.97Å; E66-R172 IonicContact OE2-NH2 3.51Å; C111-R172 HydrophobicContact CB-CB 4.29Å; F113-R172 HydrophobicContact CE2-CG 4.07Å; F113-R172 HydrophobicContact CZ-CG 4.13Å; S170-R172 PolarHBondContact O-N 2.83Å; R172-A175 PolarHBondContact O-N 2.9Å; R172-L176 WeakPolarHBondContact O-CB 3.24Å; R172-L176 PolarHBondContact O-N 2.88Å
173	S	97	Very high	95.9	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-42.4	179.7	55.5	0	0	0	0	112.5	N167 S170 A175 L176 E177	N167-S173 WeakPolarHBondContact O-CB 3.42Å; N167-S173 PolarHBondContact O-OG 3.14Å; S170-S173 PolarHBondContact N-OG 3Å; S170-S173 PolarHBondContact O-N 3.01Å; S170-S173 PolarHBondContact O-OG 3.49Å; S170-S173 WeakPolarHBondContact OG-CB 3.17Å; S170-S173 PolarHBondContact OG-N 3.14Å; S170-S173 PolarHBondContact OG-OG 3.17Å; S173-A175 VanDerWaalsContact C-N 3.27Å; S173-A175 PolarHBondContact O-N 3.28Å; S173-L176 PolarHBondContact O-N 3.33Å; S173-L176 VanDerWaalsContact O-N 3.16Å; S173-E177 WeakPolarHBondContact O-CG 3.21Å; S173-E177 PolarHBondContact O-N 3Å
174	K	98.3	Very high	95.7	Very high	81 Å²	81	37.7 Å²	37.7	35%	0.352	20%	0.204	S	C	.	.	H	α-helix	trans	-57.7	-39.4	172.7	-71.4	168.5	177.5	163.6	0	112.9	I129 T130 I169 S170	I129-K174 VanDerWaalsContact O-CD 3.26Å; I129-K174 WeakPolarHBondContact O-CD 3.47Å; I129-K174 PolarHBondContact O-NZ 2.89Å; T130-K174 PolarHBondContact OG1-NZ 3.35Å; I169-K174 WeakPolarHBondContact O-CE 3.21Å; I169-K174 PolarHBondContact O-NZ 3.14Å; I169-K174 VanDerWaalsContact O-NZ 3.1Å; S170-K174 WeakPolarHBondContact O-CG 3.3Å; S170-K174 PolarHBondContact O-N 3.49Å
175	A	98.4	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-42.4	177	0	0	0	0	0	111	C111 F113 H171 R172 S173 K178 V179	C111-A175 HydrophobicContact CB-CB 4.11Å; C111-A175 WeakPolarHBondContact O-CB 3.45Å; F113-A175 HydrophobicContact CD2-CB 3.6Å; F113-A175 HydrophobicContact CE2-CB 3.99Å; H171-A175 WeakPolarHBondContact O-CB 3.22Å; H171-A175 PolarHBondContact O-N 3.23Å; R172-A175 PolarHBondContact O-N 2.9Å; S173-A175 VanDerWaalsContact C-N 3.27Å; S173-A175 PolarHBondContact O-N 3.28Å; A175-K178 WeakPolarHBondContact O-CB 3.49Å; A175-K178 PolarHBondContact O-N 3.27Å; A175-V179 PolarHBondContact O-N 3.3Å
176	L	96.5	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-32.5	-176.5	-160.2	65.5	0	0	0	113.2	F18 I21 I22 F113 R172 S173 K178 V179 K180	F18-L176 HydrophobicContact CD2-CD1 3.76Å; F18-L176 HydrophobicContact CD2-CD2 3.9Å; F18-L176 HydrophobicContact CE2-CD1 3.6Å; F18-L176 HydrophobicContact CE2-CD2 4.26Å; I21-L176 HydrophobicContact CB-CD2 3.6Å; I21-L176 HydrophobicContact CG2-CB 4.09Å; I21-L176 HydrophobicContact CG2-CD2 3.59Å; I21-L176 HydrophobicContact CG2-CG 4.29Å; I22-L176 HydrophobicContact CB-CD2 4.01Å; I22-L176 HydrophobicContact CD1-CD1 3.95Å; I22-L176 HydrophobicContact CD1-CD2 4.18Å; I22-L176 HydrophobicContact CD1-CG 4.06Å; F113-L176 HydrophobicContact CD1-CD1 4.25Å; F113-L176 HydrophobicContact CD2-CD1 4.34Å; F113-L176 HydrophobicContact CE1-CD1 3.81Å; F113-L176 HydrophobicContact CE2-CB 4.07Å; F113-L176 HydrophobicContact CE2-CD1 3.93Å; F113-L176 HydrophobicContact CZ-CB 4.44Å; F113-L176 HydrophobicContact CZ-CD1 3.66Å; R172-L176 WeakPolarHBondContact O-CB 3.24Å; R172-L176 PolarHBondContact O-N 2.88Å; S173-L176 PolarHBondContact O-N 3.33Å; S173-L176 VanDerWaalsContact O-N 3.16Å; L176-K178 PolarHBondContact O-N 2.97Å; L176-V179 HydrophobicContact CD1-CB 4.04Å; L176-V179 HydrophobicContact CD1-CG1 4.24Å; L176-V179 HydrophobicContact CD1-CG2 4.26Å; L176-V179 CarbonylContact O-C 3.58Å; L176-V179 WeakPolarHBondContact O-CA 3.31Å; L176-V179 WeakPolarHBondContact O-CB 3.44Å; L176-V179 PolarHBondContact O-N 3.14Å; L176-V179 VanDerWaalsContact O-N 3.07Å; L176-K180 WeakPolarHBondContact O-CG 3.43Å; L176-K180 PolarHBondContact O-N 3.23Å
177	E	96.3	Very high	93.4	Very high	87 Å²	87	42.3 Å²	42.3	41%	0.407	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-33.9	171.8	-72.4	-54.3	138.8	0	0	112.4	S173 K180 S181	S173-E177 WeakPolarHBondContact O-CG 3.21Å; S173-E177 PolarHBondContact O-N 3Å; E177-K180 IonicContact OE1-NZ 2.7Å; E177-K180 PolarHBondContact OE1-NZ 2.75Å; E177-K180 IonicContact OE2-NZ 3.42Å; E177-K180 PolarHBondContact OE2-NZ 3.28Å; E177-K180 VanDerWaalsContact OE2-NZ 3.17Å; E177-S181 WeakPolarHBondContact O-CB 3.46Å; E177-S181 PolarHBondContact O-N 3.35Å; E177-S181 PolarHBondContact O-OG 3.18Å
178	K	97.6	Very high	92	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	22%	0.222	S	C	.	.	H	α-helix	trans	-67.7	-41.3	172.3	-60.4	175.8	179.1	-173.2	0	111.4	F126 T127 A175 L176 S181 F182	F126-K178 HydrophobicContact CB-CB 4.08Å; F126-K178 HydrophobicContact CD1-CB 3.88Å; F126-K178 HydrophobicContact CG-CB 4.38Å; T127-K178 WeakPolarHBondContact O-CE 3.37Å; T127-K178 PolarHBondContact O-NZ 2.91Å; A175-K178 WeakPolarHBondContact O-CB 3.49Å; A175-K178 PolarHBondContact O-N 3.27Å; L176-K178 PolarHBondContact O-N 2.97Å; K178-S181 PolarHBondContact O-N 3.02Å; K178-F182 WeakPolarHBondContact O-CB 3.46Å; K178-F182 PolarHBondContact O-N 2.75Å
179	V	96.4	Very high	90.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-48.4	174.4	174.5	0	0	0	0	110.7	L64 F113 F126 A175 L176 S181 F182 L183	L64-V179 HydrophobicContact CD1-CG1 4.09Å; L64-V179 HydrophobicContact CD1-CG2 4.32Å; L64-V179 HydrophobicContact CD2-CG1 3.97Å; F113-V179 HydrophobicContact CB-CG2 3.56Å; F113-V179 HydrophobicContact CD1-CG2 4.47Å; F113-V179 HydrophobicContact CD2-CG2 4.24Å; F113-V179 HydrophobicContact CG-CG2 3.85Å; F126-V179 HydrophobicContact CB-CG2 3.81Å; F126-V179 HydrophobicContact CD2-CG2 3.57Å; F126-V179 HydrophobicContact CE2-CG2 4.28Å; F126-V179 HydrophobicContact CG-CG2 3.73Å; A175-V179 PolarHBondContact O-N 3.3Å; L176-V179 HydrophobicContact CD1-CB 4.04Å; L176-V179 HydrophobicContact CD1-CG1 4.24Å; L176-V179 HydrophobicContact CD1-CG2 4.26Å; L176-V179 CarbonylContact O-C 3.58Å; L176-V179 WeakPolarHBondContact O-CA 3.31Å; L176-V179 WeakPolarHBondContact O-CB 3.44Å; L176-V179 PolarHBondContact O-N 3.14Å; L176-V179 VanDerWaalsContact O-N 3.07Å; V179-S181 PolarHBondContact O-N 3.2Å; V179-F182 WeakPolarHBondContact O-CB 3.23Å; V179-F182 PolarHBondContact O-N 3.07Å; V179-F182 VanDerWaalsContact O-N 3.13Å; V179-L183 HydrophobicContact CG1-CD1 3.6Å; V179-L183 HydrophobicContact CG1-CG 4.02Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.29Å
180	K	94.3	Very high	89.8	Confident	30 Å²	30	50.7 Å²	50.7	13%	0.13	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-49.8	178.7	-68.7	170.2	61.6	-164.9	0	111.2	I22 E25 F26 L176 E177 F182 L183 L184	I22-K180 HydrophobicContact CD1-CG 3.84Å; E25-K180 WeakPolarHBondContact OE1-CE 3.43Å; E25-K180 IonicContact OE1-NZ 2.79Å; F26-K180 HydrophobicContact CE2-CB 4.05Å; F26-K180 HydrophobicContact CE2-CG 3.7Å; F26-K180 HydrophobicContact CZ-CB 4.27Å; F26-K180 HydrophobicContact CZ-CG 4.27Å; L176-K180 WeakPolarHBondContact O-CG 3.43Å; L176-K180 PolarHBondContact O-N 3.23Å; E177-K180 IonicContact OE1-NZ 2.7Å; E177-K180 PolarHBondContact OE1-NZ 2.75Å; E177-K180 IonicContact OE2-NZ 3.42Å; E177-K180 PolarHBondContact OE2-NZ 3.28Å; E177-K180 VanDerWaalsContact OE2-NZ 3.17Å; K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 2.67Å; K180-L183 PolarHBondContact O-N 3.42Å; K180-L184 WeakPolarHBondContact O-CB 3.48Å; K180-L184 VanDerWaalsContact O-CG 3.31Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å; K180-L184 PolarHBondContact O-N 2.86Å
181	S	94.2	Very high	89.4	Confident	65 Å²	65	53.3 Å²	53.3	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-41.3	176.7	-58.4	0	0	0	0	111.9	E177 K178 V179 N185	E177-S181 WeakPolarHBondContact O-CB 3.46Å; E177-S181 PolarHBondContact O-N 3.35Å; E177-S181 PolarHBondContact O-OG 3.18Å; K178-S181 PolarHBondContact O-N 3.02Å; V179-S181 PolarHBondContact O-N 3.2Å; S181-N185 PolarHBondContact O-N 3.1Å; S181-N185 PolarHBondContact O-ND2 3.12Å
182	F	94.7	Very high	88.9	Confident	37 Å²	37	56.2 Å²	56.2	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-50.2	176.6	172.3	-94.6	0	0	0	112.3	Y115 Q124 F126 K178 V179 K180 L184 N185 H186 E187	Y115-F182 HydrophobicContact CD1-CD1 4.42Å; Y115-F182 AromaticContact CD1-CE1 3.42Å; Y115-F182 HydrophobicContact CD1-CE1 3.42Å; Y115-F182 VanDerWaalsContact CD1-CE1 3.42Å; Y115-F182 AromaticContact CD1-CZ 3.87Å; Y115-F182 HydrophobicContact CD1-CZ 3.87Å; Y115-F182 AromaticContact CE1-CE1 3.57Å; Y115-F182 HydrophobicContact CE1-CE1 3.57Å; Y115-F182 AromaticContact CE1-CZ 3.99Å; Y115-F182 HydrophobicContact CE1-CZ 3.99Å; Y115-F182 HydrophobicContact CG-CE1 4.15Å; Q124-F182 HydrophobicContact CG-CE2 4.14Å; Q124-F182 HydrophobicContact CG-CZ 4Å; F126-F182 HydrophobicContact CE1-CB 3.58Å; F126-F182 HydrophobicContact CE1-CD1 4.42Å; F126-F182 HydrophobicContact CE1-CD2 4.1Å; F126-F182 AromaticContact CE1-CG 3.78Å; F126-F182 HydrophobicContact CE1-CG 3.78Å; F126-F182 HydrophobicContact CE2-CD1 4.35Å; F126-F182 HydrophobicContact CE2-CG 4.5Å; F126-F182 HydrophobicContact CZ-CB 3.66Å; F126-F182 AromaticContact CZ-CD1 3.63Å; F126-F182 HydrophobicContact CZ-CD1 3.63Å; F126-F182 AromaticContact CZ-CD2 3.83Å; F126-F182 HydrophobicContact CZ-CD2 3.83Å; F126-F182 HydrophobicContact CZ-CE1 4.24Å; F126-F182 HydrophobicContact CZ-CE2 4.4Å; F126-F182 AromaticContact CZ-CG 3.41Å; F126-F182 HydrophobicContact CZ-CG 3.41Å; F126-F182 VanDerWaalsContact CZ-CG 3.41Å; K178-F182 WeakPolarHBondContact O-CB 3.46Å; K178-F182 PolarHBondContact O-N 2.75Å; V179-F182 WeakPolarHBondContact O-CB 3.23Å; V179-F182 PolarHBondContact O-N 3.07Å; V179-F182 VanDerWaalsContact O-N 3.13Å; K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 2.67Å; F182-L184 PolarHBondContact O-N 3.36Å; F182-N185 PolarHBondContact O-N 3.02Å; F182-N185 VanDerWaalsContact O-N 3.16Å; F182-H186 AromaticContact CD2-CD2 3.55Å; F182-H186 HydrophobicContact CE2-CB 4.32Å; F182-H186 AromaticContact CE2-CD2 3.7Å; F182-H186 HydrophobicContact CZ-CB 4.29Å; F182-H186 WeakPolarHBondContact O-CB 3.44Å; F182-H186 PolarHBondContact O-CD2 3.12Å; F182-H186 VanDerWaalsContact O-CD2 3.32Å; F182-H186 PolarHBondContact O-N 3.38Å; F182-E187 HydrophobicContact CE1-CG 4.46Å
183	L	92.1	Very high	88.4	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-38.2	-175.3	-67	174.6	0	0	0	112.6	L5 F26 Y115 V179 K180 N185 H186 E187 F188	L5-L183 HydrophobicContact CD2-CD1 3.55Å; L5-L183 HydrophobicContact CD2-CD2 4.22Å; F26-L183 HydrophobicContact CD1-CD1 4.26Å; F26-L183 HydrophobicContact CE1-CB 3.63Å; F26-L183 HydrophobicContact CE1-CD1 3.59Å; F26-L183 HydrophobicContact CE1-CG 4.29Å; F26-L183 HydrophobicContact CZ-CB 3.92Å; F26-L183 HydrophobicContact CZ-CD1 4.11Å; Y115-L183 HydrophobicContact CE2-CD2 4.32Å; V179-L183 HydrophobicContact CG1-CD1 3.6Å; V179-L183 HydrophobicContact CG1-CG 4.02Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.29Å; K180-L183 PolarHBondContact O-N 3.42Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 3.32Å; L183-H186 PolarHBondContact O-N 2.95Å; L183-E187 HydrophobicContact CD2-CB 3.95Å; L183-E187 HydrophobicContact CD2-CG 3.75Å; L183-E187 PolarHBondContact O-N 2.9Å; L183-F188 HydrophobicContact CB-CD2 4.13Å; L183-F188 HydrophobicContact CB-CE2 4.07Å; L183-F188 HydrophobicContact CD1-CE2 4.41Å; L183-F188 PolarHBondContact O-N 3.17Å
184	L	88.8	Confident	87.8	Confident	74 Å²	74	62.6 Å²	62.6	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-30.3	176.4	-70.8	172.4	0	0	0	112.6	F26 K180 F182	F26-L184 HydrophobicContact CZ-CD2 4.27Å; F26-L184 HydrophobicContact CZ-CG 4.1Å; K180-L184 WeakPolarHBondContact O-CB 3.48Å; K180-L184 VanDerWaalsContact O-CG 3.31Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å; K180-L184 PolarHBondContact O-N 2.86Å; F182-L184 PolarHBondContact O-N 3.36Å
185	N	87.6	Confident	87.1	Confident	96 Å²	96	61.4 Å²	61.4	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-90.5	-19.7	-178.9	-71.6	-37.3	0	0	0	113.9	S181 F182 L183	S181-N185 PolarHBondContact O-N 3.1Å; S181-N185 PolarHBondContact O-ND2 3.12Å; F182-N185 PolarHBondContact O-N 3.02Å; F182-N185 VanDerWaalsContact O-N 3.16Å; L183-N185 VanDerWaalsContact C-N 3.26Å; L183-N185 PolarHBondContact O-N 3.32Å
186	H	82	Confident	86.3	Confident	128 Å²	128	65.8 Å²	65.8	59%	0.593	32%	0.32	S	S	*	.	H	α-helix	trans	-132.4	-24.9	-167.9	-63.7	-66.1	0	0	0	116.6	F182 L183	F182-H186 AromaticContact CD2-CD2 3.55Å; F182-H186 HydrophobicContact CE2-CB 4.32Å; F182-H186 AromaticContact CE2-CD2 3.7Å; F182-H186 HydrophobicContact CZ-CB 4.29Å; F182-H186 WeakPolarHBondContact O-CB 3.44Å; F182-H186 PolarHBondContact O-CD2 3.12Å; F182-H186 VanDerWaalsContact O-CD2 3.32Å; F182-H186 PolarHBondContact O-N 3.38Å; L183-H186 PolarHBondContact O-N 2.95Å
187	E	68.6	Low	85.5	Confident	29 Å²	29	70.8 Å²	70.8	14%	0.136	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-26.2	-171.5	-76.8	-65.1	156.8	0	0	114.7	Y115 F182 L183	Y115-E187 HydrophobicContact CE1-CG 4.28Å; Y115-E187 WeakPolarHBondContact OH-CG 3.44Å; Y115-E187 PolarHBondContact OH-OE1 2.94Å; Y115-E187 PolarHBondContact OH-OE2 3.08Å; F182-E187 HydrophobicContact CE1-CG 4.46Å; L183-E187 HydrophobicContact CD2-CB 3.95Å; L183-E187 HydrophobicContact CD2-CG 3.75Å; L183-E187 PolarHBondContact O-N 2.9Å
188	F	64.1	Low	84.6	Confident	53 Å²	53	69.5 Å²	69.5	23%	0.232	34%	0.34	C	S	.	.			trans	-114	22.6	-176.1	-63	-62.4	0	0	0	114.5	L5 F26 K29 L183	L5-F188 HydrophobicContact CB-CZ 4.35Å; F26-F188 HydrophobicContact CD1-CD2 4.15Å; F26-F188 AromaticContact CD1-CE2 3.58Å; F26-F188 HydrophobicContact CD1-CE2 3.58Å; F26-F188 HydrophobicContact CD1-CZ 4.32Å; F26-F188 AromaticContact CE1-CD2 3.72Å; F26-F188 HydrophobicContact CE1-CD2 3.72Å; F26-F188 AromaticContact CE1-CE2 3.43Å; F26-F188 HydrophobicContact CE1-CE2 3.43Å; F26-F188 VanDerWaalsContact CE1-CE2 3.43Å; K29-F188 HydrophobicContact CB-CE1 3.77Å; K29-F188 HydrophobicContact CB-CZ 3.72Å; K29-F188 HydrophobicContact CD-CD1 3.76Å; K29-F188 HydrophobicContact CD-CD2 4.28Å; K29-F188 HydrophobicContact CD-CE1 3.75Å; K29-F188 HydrophobicContact CD-CE2 4.28Å; K29-F188 HydrophobicContact CD-CG 4.04Å; K29-F188 HydrophobicContact CD-CZ 4.01Å; K29-F188 HydrophobicContact CG-CD1 4.45Å; K29-F188 HydrophobicContact CG-CE1 4.05Å; K29-F188 HydrophobicContact CG-CZ 4.37Å; L183-F188 HydrophobicContact CB-CD2 4.13Å; L183-F188 HydrophobicContact CB-CE2 4.07Å; L183-F188 HydrophobicContact CD1-CE2 4.41Å; L183-F188 PolarHBondContact O-N 3.17Å
189	Q	55.2	Low	83.5	Confident	212 Å²	212	66 Å²	66	99%	0.991	33%	0.328	S	S	*	.			trans	-87.4	0	165.3	-66.5	-171.2	-9.7	0	0	110.3

Retrieved 189 of 189 residues in 202.1 ms (Link to these results)

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