A0A077ZJ27_TRITR 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 A0A077ZJ27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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	34.9	Very low	50.7	Low	206 Å²	206	55.7 Å²	55.7	100%	1.015	30%	0.299	S	S	*	.				0	72.8	0	-162.9	178.9	-79.4	0	0	108.7
2	C	33	Very low	50.3	Low	93 Å²	93	54.9 Å²	54.9	63%	0.628	30%	0.3	S	S	*	.			trans	-89.5	100.5	171.8	-79.4	0	0	0	0	108.1	Y4	C2-Y4 HydrophobicContact CB-CD2 4.14Å; C2-Y4 HydrophobicContact CB-CE2 3.57Å; C2-Y4 PolarHBondContact O-N 3.27Å
3	C	45.2	Very low	50.1	Low	61 Å²	61	51.8 Å²	51.8	41%	0.412	28%	0.283	S	S	.	.			trans	-81.8	104.5	168.3	-64.2	0	0	0	0	107.7
4	Y	49.6	Very low	49.2	Very low	110 Å²	110	56.7 Å²	56.7	43%	0.431	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-89.2	117.6	167.2	-65.6	-78.7	0	0	0	108.1	C2 L6 Y190	C2-Y4 HydrophobicContact CB-CD2 4.14Å; C2-Y4 HydrophobicContact CB-CE2 3.57Å; C2-Y4 PolarHBondContact O-N 3.27Å; Y4-L6 PolarHBondContact O-N 2.68Å; Y4-Y190 HydrophobicContact CD2-CD1 4.39Å; Y4-Y190 HydrophobicContact CD2-CE1 4.32Å
5	P	56.3	Low	48.7	Very low	64 Å²	64	61.9 Å²	61.9	42%	0.416	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-68.5	123.6	177.5	26.9	-31.4	0	0	0	109.5	Q33 L35 P65	P5-Q33 WeakPolarHBondContact CA-O 3.25Å; P5-L35 HydrophobicContact CB-CD1 3.74Å; P5-L35 HydrophobicContact CB-CG 4.33Å; P5-P65 WeakPolarHBondContact O-CD 3.38Å; P5-P65 WeakPolarHBondContact O-CG 3.46Å
6	L	57.1	Low	48.7	Very low	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.4	174.3	-81.1	155.5	0	0	0	109.1	Y4 L32 Q33 V34 L35 P65 I67 Y118 L186	Y4-L6 PolarHBondContact O-N 2.68Å; L6-L32 HydrophobicContact CD1-CB 4.07Å; L6-L32 HydrophobicContact CD1-CD1 3.81Å; L6-L32 HydrophobicContact CD1-CD2 3.88Å; L6-L32 HydrophobicContact CD1-CG 4.12Å; L6-Q33 PolarHBondContact N-O 2.86Å; L6-V34 HydrophobicContact CB-CG2 4.45Å; L6-V34 CarbonylContact O-C 3.55Å; L6-V34 VanDerWaalsContact O-CA 3.32Å; L6-V34 WeakPolarHBondContact O-CA 3.36Å; L6-L35 PolarHBondContact O-N 3.4Å; L6-P65 HydrophobicContact CD2-CB 3.76Å; L6-P65 HydrophobicContact CD2-CG 3.69Å; L6-P65 HydrophobicContact CG-CG 4.17Å; L6-I67 HydrophobicContact CB-CD1 4.44Å; L6-I67 HydrophobicContact CD2-CD1 4.15Å; L6-I67 HydrophobicContact CD2-CG1 4.46Å; L6-Y118 HydrophobicContact CD2-CD2 4.28Å; L6-Y118 HydrophobicContact CD2-CE2 3.47Å; L6-Y118 VanDerWaalsContact CD2-CE2 3.47Å; L6-L186 HydrophobicContact CD1-CD1 4.22Å
7	A	59.1	Low	48.3	Very low	3 Å²	3	59.4 Å²	59.4	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.9	174.6	0	0	0	0	0	111.2	L35 K37 V63 P65 V66 I67	A7-L35 CarbonylContact C-O 3.49Å; A7-L35 VanDerWaalsContact CA-O 3.24Å; A7-L35 WeakPolarHBondContact CA-O 3.47Å; A7-K37 HydrophobicContact CB-CD 4.31Å; A7-V63 HydrophobicContact CB-CB 4.21Å; A7-V63 HydrophobicContact CB-CG1 3.62Å; A7-V63 HydrophobicContact CB-CG2 3.49Å; A7-V63 VanDerWaalsContact CB-CG2 3.49Å; A7-P65 PolarHBondContact N-O 3.07Å; A7-P65 VanDerWaalsContact N-O 3.08Å; A7-V66 HydrophobicContact CB-CG2 4.5Å; A7-V66 WeakPolarHBondContact O-CA 3.21Å; A7-I67 PolarHBondContact O-N 3.39Å
8	T	58.9	Low	48.2	Very low	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	167.3	-61.2	0	0	0	0	109	M22 V34 L35 V36 K37 I67	T8-M22 HydrophobicContact CG2-CE 4.15Å; T8-M22 HydrophobicContact CG2-SD 3.65Å; T8-M22 WeakPolarHBondContact OG1-CE 3.32Å; T8-V34 WeakPolarHBondContact OG1-CG1 3.42Å; T8-L35 PolarHBondContact N-O 3.26Å; T8-V36 WeakPolarHBondContact O-CA 3.36Å; T8-K37 PolarHBondContact O-N 2.92Å; T8-I67 WeakPolarHBondContact CA-O 3.18Å
9	I	58.3	Low	47.8	Very low	3 Å²	3	55.5 Å²	55.5	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.2	176.2	-57.2	167.5	0	0	0	109.3	K37 I39 L41 A59 V63 V66 I67 V68	I9-K37 WeakPolarHBondContact CA-O 3.44Å; I9-I39 HydrophobicContact CD1-CB 4.06Å; I9-I39 HydrophobicContact CD1-CD1 3.46Å; I9-I39 VanDerWaalsContact CD1-CD1 3.46Å; I9-I39 HydrophobicContact CD1-CG1 4.2Å; I9-I39 HydrophobicContact CD1-CG2 4.47Å; I9-I39 HydrophobicContact CG1-CB 4.24Å; I9-I39 HydrophobicContact CG1-CD1 3.82Å; I9-I39 HydrophobicContact CG1-CG1 4.28Å; I9-I39 HydrophobicContact CG2-CB 3.7Å; I9-L41 HydrophobicContact CB-CD1 4.34Å; I9-L41 HydrophobicContact CD1-CD1 4.3Å; I9-L41 HydrophobicContact CG2-CD1 3.64Å; I9-L41 HydrophobicContact CG2-CG 4.2Å; I9-A59 HydrophobicContact CD1-CB 3.45Å; I9-A59 VanDerWaalsContact CD1-CB 3.45Å; I9-V63 HydrophobicContact CD1-CG1 3.96Å; I9-V66 HydrophobicContact CD1-CG2 3.62Å; I9-V66 HydrophobicContact CG1-CG2 4.11Å; I9-I67 PolarHBondContact N-O 3Å; I9-V68 HydrophobicContact CB-CG1 4.24Å
10	H	57.2	Low	47.4	Very low	9 Å²	9	60.2 Å²	60.2	4%	0.042	32%	0.316	C	S	.	.			trans	-122.7	120	174.7	-159.4	-64.7	0	0	0	110.9	S12 Q13 L19 E69	H10-S12 PolarHBondContact CE1-N 3.39Å; H10-S12 PolarHBondContact CE1-OG 2.82Å; H10-S12 PolarHBondContact ND1-N 3.36Å; H10-S12 VanDerWaalsContact ND1-N 3.11Å; H10-Q13 WeakPolarHBondContact CE1-CB 3.43Å; H10-Q13 VanDerWaalsContact CE1-CD 3.45Å; H10-Q13 WeakPolarHBondContact CE1-CG 3.48Å; H10-Q13 PolarHBondContact CE1-N 2.85Å; H10-Q13 PolarHBondContact ND1-N 3.3Å; H10-Q13 VanDerWaalsContact ND1-N 3.16Å; H10-Q13 VanDerWaalsContact NE2-CD 3.28Å; H10-Q13 PolarHBondContact NE2-OE1 2.74Å; H10-L19 HydrophobicContact CB-CD1 3.78Å; H10-L19 HydrophobicContact CB-CD2 4.14Å; H10-L19 WeakPolarHBondContact CD2-CD2 3.4Å; H10-L19 VanDerWaalsContact CG-CD1 3.48Å; H10-E69 IonicContact CD2-OE2 3.71Å
11	H	48	Very low	47.2	Very low	61 Å²	61	59.6 Å²	59.6	28%	0.282	31%	0.312	S	S	.	.	S	Bend	trans	-89.4	-21.1	-175.1	-168.5	-98	0	0	0	114.3	D40 L41 E43	H11-D40 IonicContact CD2-OD1 2.73Å; H11-D40 IonicContact CE1-OD1 3.17Å; H11-D40 IonicContact NE2-OD1 2.64Å; H11-D40 PolarHBondContact NE2-OD1 3.46Å; H11-L41 PolarHBondContact CD2-N 3.28Å; H11-L41 VanDerWaalsContact CD2-N 3.33Å; H11-L41 PolarHBondContact NE2-O 3.26Å; H11-E43 IonicContact ND1-OE1 2.68Å
12	S	46.5	Very low	47.9	Very low	46 Å²	46	50.5 Å²	50.5	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-139.6	15.4	-161.5	62.2	0	0	0	0	118.5	H10	H10-S12 PolarHBondContact CE1-N 3.39Å; H10-S12 PolarHBondContact CE1-OG 2.82Å; H10-S12 PolarHBondContact ND1-N 3.36Å; H10-S12 VanDerWaalsContact ND1-N 3.11Å
13	Q	47.4	Very low	48.3	Very low	15 Å²	15	49.3 Å²	49.3	7%	0.07	26%	0.255	C	S	.	.			trans	-134.1	50.7	-175.7	-76	174.8	24.8	0	0	112.4	H10 N15 D16 L19 F146 R175	H10-Q13 WeakPolarHBondContact CE1-CB 3.43Å; H10-Q13 VanDerWaalsContact CE1-CD 3.45Å; H10-Q13 WeakPolarHBondContact CE1-CG 3.48Å; H10-Q13 PolarHBondContact CE1-N 2.85Å; H10-Q13 PolarHBondContact ND1-N 3.3Å; H10-Q13 VanDerWaalsContact ND1-N 3.16Å; H10-Q13 VanDerWaalsContact NE2-CD 3.28Å; H10-Q13 PolarHBondContact NE2-OE1 2.74Å; Q13-N15 PolarHBondContact O-N 2.94Å; Q13-D16 HydrophobicContact CB-CB 3.62Å; Q13-D16 HydrophobicContact CG-CB 4.05Å; Q13-D16 PolarHBondContact O-N 2.99Å; Q13-D16 PolarHBondContact OE1-OD2 3.33Å; Q13-L19 HydrophobicContact CB-CD1 3.73Å; Q13-L19 HydrophobicContact CB-CG 4.43Å; Q13-L19 VanDerWaalsContact O-CD1 3.29Å; Q13-L19 WeakPolarHBondContact O-CD1 3.24Å; Q13-F146 HydrophobicContact CB-CZ 4.33Å; Q13-F146 HydrophobicContact CG-CE1 3.81Å; Q13-F146 HydrophobicContact CG-CE2 4.31Å; Q13-F146 HydrophobicContact CG-CZ 3.43Å; Q13-F146 VanDerWaalsContact CG-CZ 3.43Å; Q13-R175 VanDerWaalsContact CD-NH2 3.3Å
14	I	37.8	Very low	48.1	Very low	120 Å²	120	51.5 Å²	51.5	62%	0.615	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-22.4	-178	-65.3	172.9	0	0	0	113.3
15	N	40.9	Very low	47.9	Very low	135 Å²	135	51.4 Å²	51.4	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	16.8	180	-62	-35.1	0	0	0	113.8	Q13 P17	Q13-N15 PolarHBondContact O-N 2.94Å; N15-P17 WeakPolarHBondContact O-CD 3.45Å
16	D	48.7	Very low	47.2	Very low	5 Å²	5	56.2 Å²	56.2	3%	0.027	28%	0.284	C	S	.	.			trans	-79.1	112.1	173.6	-168.8	-23.9	0	0	0	109.1	Q13 F18 L19 R175	Q13-D16 HydrophobicContact CB-CB 3.62Å; Q13-D16 HydrophobicContact CG-CB 4.05Å; Q13-D16 PolarHBondContact O-N 2.99Å; Q13-D16 PolarHBondContact OE1-OD2 3.33Å; D16-F18 PolarHBondContact O-N 3.08Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 VanDerWaalsContact OD1-CB 3.23Å; D16-F18 WeakPolarHBondContact OD1-CB 3.32Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.43Å; D16-F18 WeakPolarHBondContact OD1-CG 3.37Å; D16-F18 PolarHBondContact OD1-N 2.94Å; D16-L19 HydrophobicContact CB-CG 4.38Å; D16-L19 PolarHBondContact O-N 3.2Å; D16-L19 VanDerWaalsContact O-N 3.09Å; D16-R175 IonicContact OD1-NH1 2.91Å; D16-R175 IonicContact OD2-CZ 3.36Å; D16-R175 IonicContact OD2-NH1 3.6Å; D16-R175 PolarHBondContact OD2-NH1 3.01Å; D16-R175 IonicContact OD2-NH2 3.84Å
17	P	41.8	Very low	46.6	Very low	76 Å²	76	57.2 Å²	57.2	49%	0.494	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-58.7	-22.1	178.5	24.5	-33.2	0	0	0	112.7	N15 L19 Y20	N15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-L19 PolarHBondContact O-N 2.86Å; P17-Y20 PolarHBondContact O-N 3.22Å
18	F	47.4	Very low	45.5	Very low	29 Å²	29	61.6 Å²	61.6	13%	0.127	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.3	178	-64.7	-67.6	0	0	0	113.5	D16 E21 K169 R170	D16-F18 PolarHBondContact O-N 3.08Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 VanDerWaalsContact OD1-CB 3.23Å; D16-F18 WeakPolarHBondContact OD1-CB 3.32Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.43Å; D16-F18 WeakPolarHBondContact OD1-CG 3.37Å; D16-F18 PolarHBondContact OD1-N 2.94Å; F18-E21 PolarHBondContact O-N 3.18Å; F18-K169 HydrophobicContact CE2-CD 4.26Å; F18-K169 HydrophobicContact CZ-CD 4.2Å; F18-R170 HydrophobicContact CE1-CB 4.45Å
19	L	40.6	Very low	44.8	Very low	15 Å²	15	68.9 Å²	68.9	8%	0.079	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-74.6	-33.3	178.6	-70.8	-177.8	0	0	0	113.7	H10 Q13 D16 P17 E21 M22	H10-L19 HydrophobicContact CB-CD1 3.78Å; H10-L19 HydrophobicContact CB-CD2 4.14Å; H10-L19 WeakPolarHBondContact CD2-CD2 3.4Å; H10-L19 VanDerWaalsContact CG-CD1 3.48Å; Q13-L19 HydrophobicContact CB-CD1 3.73Å; Q13-L19 HydrophobicContact CB-CG 4.43Å; Q13-L19 VanDerWaalsContact O-CD1 3.29Å; Q13-L19 WeakPolarHBondContact O-CD1 3.24Å; D16-L19 HydrophobicContact CB-CG 4.38Å; D16-L19 PolarHBondContact O-N 3.2Å; D16-L19 VanDerWaalsContact O-N 3.09Å; P17-L19 PolarHBondContact O-N 2.86Å; L19-E21 PolarHBondContact O-N 3.45Å; L19-M22 PolarHBondContact O-N 3.33Å
20	Y	39.4	Very low	44.4	Very low	149 Å²	149	69.8 Å²	69.8	58%	0.584	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13.2	174.9	-68.4	-81.1	0	0	0	112.1	P17 D23	P17-Y20 PolarHBondContact O-N 3.22Å; Y20-D23 WeakPolarHBondContact O-CB 3.43Å; Y20-D23 PolarHBondContact O-N 3.41Å
21	E	43.8	Very low	44.3	Very low	48 Å²	48	73.4 Å²	73.4	22%	0.224	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-83.9	-16.4	-179.2	-65.4	177.5	-167.9	0	0	112.8	F18 L19 D23 H25 R170	F18-E21 PolarHBondContact O-N 3.18Å; L19-E21 PolarHBondContact O-N 3.45Å; E21-D23 PolarHBondContact O-N 3.35Å; E21-H25 PolarHBondContact O-CD2 2.94Å; E21-H25 VanDerWaalsContact O-CD2 3.26Å; E21-R170 IonicContact OE1-CZ 3.48Å; E21-R170 IonicContact OE1-NE 2.81Å; E21-R170 IonicContact OE1-NH2 2.74Å; E21-R170 PolarHBondContact OE1-NH2 2.67Å; E21-R170 IonicContact OE2-CZ 3.54Å; E21-R170 IonicContact OE2-NE 3.97Å; E21-R170 PolarHBondContact OE2-NE 2.86Å; E21-R170 IonicContact OE2-NH2 2.78Å; E21-R170 PolarHBondContact OE2-NH2 2.95Å; E21-R170 VanDerWaalsContact OE2-NH2 3.17Å
22	M	48.5	Very low	44.9	Very low	15 Å²	15	72.1 Å²	72.1	7%	0.074	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.6	168.6	-78.3	-167.4	72	0	0	112.4	T8 L19 V24 V34 I67 Y116 L179	T8-M22 HydrophobicContact CG2-CE 4.15Å; T8-M22 HydrophobicContact CG2-SD 3.65Å; T8-M22 WeakPolarHBondContact OG1-CE 3.32Å; L19-M22 PolarHBondContact O-N 3.33Å; M22-V24 VanDerWaalsContact C-N 3.27Å; M22-V24 PolarHBondContact O-N 2.61Å; M22-V34 HydrophobicContact CB-CG1 4.29Å; M22-V34 HydrophobicContact CE-CG1 4.11Å; M22-I67 HydrophobicContact CE-CD1 4.14Å; M22-I67 HydrophobicContact CE-CG2 4.48Å; M22-Y116 HydrophobicContact SD-CE1 4.13Å; M22-L179 HydrophobicContact CG-CD1 4.34Å
23	D	41.3	Very low	45.8	Very low	69 Å²	69	75 Å²	75	37%	0.369	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-69.7	-20.9	-175.2	-70.8	-34.4	0	0	0	113.1	Y20 E21	Y20-D23 WeakPolarHBondContact O-CB 3.43Å; Y20-D23 PolarHBondContact O-N 3.41Å; E21-D23 PolarHBondContact O-N 3.35Å
24	V	42.3	Very low	46.9	Very low	106 Å²	106	75.2 Å²	75.2	64%	0.642	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-152.9	76	-179.7	-163.2	0	0	0	0	112.4	M22 F26	M22-V24 VanDerWaalsContact C-N 3.27Å; M22-V24 PolarHBondContact O-N 2.61Å; V24-F26 HydrophobicContact CG1-CD2 4.26Å; V24-F26 HydrophobicContact CG1-CE2 3.94Å
25	H	44.4	Very low	48.8	Very low	108 Å²	108	72.8 Å²	72.8	50%	0.5	37%	0.372	S	S	.	.			trans	-110.8	109.6	155.3	-86.8	-72.1	0	0	0	109.8	E21 V27	E21-H25 PolarHBondContact O-CD2 2.94Å; E21-H25 VanDerWaalsContact O-CD2 3.26Å; H25-V27 PolarHBondContact O-N 3.47Å
26	F	41.8	Very low	50.7	Low	165 Å²	165	68.5 Å²	68.5	72%	0.724	35%	0.351	S	S	*	.			trans	-58.9	99.8	165.4	-72.8	-91.8	0	0	0	108.7	V24 N28	V24-F26 HydrophobicContact CG1-CD2 4.26Å; V24-F26 HydrophobicContact CG1-CE2 3.94Å; F26-N28 VanDerWaalsContact C-N 3.31Å; F26-N28 PolarHBondContact O-N 3.46Å; F26-N28 VanDerWaalsContact O-N 3.14Å
27	V	44	Very low	52.3	Low	22 Å²	22	72.7 Å²	72.7	13%	0.133	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-83.1	86.2	164.2	-172.3	0	0	0	0	106.9	H25 N29 I30 R187	H25-V27 PolarHBondContact O-N 3.47Å; V27-N29 PolarHBondContact O-N 3.32Å; V27-I30 PolarHBondContact O-N 2.94Å; V27-I30 VanDerWaalsContact O-N 3.08Å; V27-R187 HydrophobicContact CG1-CB 3.94Å; V27-R187 HydrophobicContact CG1-CG 4.25Å
28	N	37.4	Very low	54.2	Low	96 Å²	96	76 Å²	76	51%	0.513	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.6	65.3	165.4	-68	-43.1	0	0	0	115	F26 I30 R187	F26-N28 VanDerWaalsContact C-N 3.31Å; F26-N28 PolarHBondContact O-N 3.46Å; F26-N28 VanDerWaalsContact O-N 3.14Å; N28-I30 PolarHBondContact O-N 3.5Å; N28-R187 PolarHBondContact ND2-NH1 2.82Å
29	N	43.4	Very low	55.9	Low	154 Å²	154	75.7 Å²	75.7	82%	0.824	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	6	178.1	-64.9	-16.1	0	0	0	118.1	V27	V27-N29 PolarHBondContact O-N 3.32Å
30	I	50.2	Low	58.1	Low	23 Å²	23	81.7 Å²	81.7	12%	0.118	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-100.9	122.1	168.6	-56	154.3	0	0	0	108.9	V27 N28 L32 R187 Y190 P192	V27-I30 PolarHBondContact O-N 2.94Å; V27-I30 VanDerWaalsContact O-N 3.08Å; N28-I30 PolarHBondContact O-N 3.5Å; I30-L32 HydrophobicContact CG2-CD2 4.1Å; I30-L32 HydrophobicContact CG2-CG 3.9Å; I30-L32 PolarHBondContact O-N 3.4Å; I30-R187 HydrophobicContact CD1-CG 4.18Å; I30-Y190 WeakPolarHBondContact CD1-O 3.44Å; I30-P192 HydrophobicContact CD1-CB 4.32Å; I30-P192 HydrophobicContact CD1-CG 4.44Å; I30-P192 HydrophobicContact CG1-CB 3.95Å
31	V	54.1	Low	60.5	Low	85 Å²	85	74.7 Å²	74.7	52%	0.515	38%	0.377	S	S	.	.			trans	-88	88.3	169.8	-176.2	0	0	0	0	107.7	Q33	V31-Q33 PolarHBondContact O-N 3.22Å
32	L	61	Low	62.7	Low	34 Å²	34	75.1 Å²	75.1	18%	0.178	38%	0.384	C	S	.	.			trans	-79.9	109.2	162.7	-70.8	177.9	0	0	0	107.3	L6 I30 V34 L186	L6-L32 HydrophobicContact CD1-CB 4.07Å; L6-L32 HydrophobicContact CD1-CD1 3.81Å; L6-L32 HydrophobicContact CD1-CD2 3.88Å; L6-L32 HydrophobicContact CD1-CG 4.12Å; I30-L32 HydrophobicContact CG2-CD2 4.1Å; I30-L32 HydrophobicContact CG2-CG 3.9Å; I30-L32 PolarHBondContact O-N 3.4Å; L32-V34 PolarHBondContact O-N 3.02Å; L32-V34 VanDerWaalsContact O-N 3.17Å; L32-L186 HydrophobicContact CD1-CB 3.87Å; L32-L186 HydrophobicContact CD1-CD1 3.97Å; L32-L186 HydrophobicContact CD1-CG 4.45Å
33	Q	65.4	Low	64.7	Low	106 Å²	106	77.5 Å²	77.5	50%	0.495	40%	0.395	S	S	.	.			trans	-78.1	102.8	173.2	-172.2	173.7	8.4	0	0	108.1	P5 L6 V31 L35	P5-Q33 WeakPolarHBondContact CA-O 3.25Å; L6-Q33 PolarHBondContact N-O 2.86Å; V31-Q33 PolarHBondContact O-N 3.22Å; Q33-L35 HydrophobicContact CG-CD2 4.13Å; Q33-L35 HydrophobicContact CG-CG 4.47Å
34	V	70.6	Confident	67.2	Low	20 Å²	20	76.5 Å²	76.5	12%	0.121	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.7	170.2	-178.1	0	0	0	0	108	L6 T8 M22 L32	L6-V34 HydrophobicContact CB-CG2 4.45Å; L6-V34 CarbonylContact O-C 3.55Å; L6-V34 VanDerWaalsContact O-CA 3.32Å; L6-V34 WeakPolarHBondContact O-CA 3.36Å; T8-V34 WeakPolarHBondContact OG1-CG1 3.42Å; M22-V34 HydrophobicContact CB-CG1 4.29Å; M22-V34 HydrophobicContact CE-CG1 4.11Å; L32-V34 PolarHBondContact O-N 3.02Å; L32-V34 VanDerWaalsContact O-N 3.17Å
35	L	78	Confident	69.8	Low	68 Å²	68	78.9 Å²	78.9	36%	0.356	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.4	173.6	-65	178.2	0	0	0	108.2	P5 L6 A7 T8 Q33 K37	P5-L35 HydrophobicContact CB-CD1 3.74Å; P5-L35 HydrophobicContact CB-CG 4.33Å; L6-L35 PolarHBondContact O-N 3.4Å; A7-L35 CarbonylContact C-O 3.49Å; A7-L35 VanDerWaalsContact CA-O 3.24Å; A7-L35 WeakPolarHBondContact CA-O 3.47Å; T8-L35 PolarHBondContact N-O 3.26Å; Q33-L35 HydrophobicContact CG-CD2 4.13Å; Q33-L35 HydrophobicContact CG-CG 4.47Å; L35-K37 PolarHBondContact O-N 3.14Å
36	V	80.7	Confident	72.3	Confident	46 Å²	46	74.9 Å²	74.9	28%	0.279	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.8	173.5	-177.2	0	0	0	0	109.4	T8	T8-V36 WeakPolarHBondContact O-CA 3.36Å
37	K	81.8	Confident	74.9	Confident	92 Å²	92	73.2 Å²	73.2	40%	0.4	37%	0.373	S	S	.	.			trans	-120.5	123.7	174.2	-71.6	-172.3	177.1	179.4	0	109.8	A7 T8 I9 L35 I39 V63	A7-K37 HydrophobicContact CB-CD 4.31Å; T8-K37 PolarHBondContact O-N 2.92Å; I9-K37 WeakPolarHBondContact CA-O 3.44Å; L35-K37 PolarHBondContact O-N 3.14Å; K37-I39 HydrophobicContact CB-CD1 4.19Å; K37-I39 HydrophobicContact CB-CG1 4.28Å; K37-I39 PolarHBondContact O-N 3.48Å; K37-V63 HydrophobicContact CD-CG2 4.41Å
38	Y	82	Confident	77.4	Confident	145 Å²	145	72.7 Å²	72.7	57%	0.569	37%	0.37	S	S	*	.			trans	-77.9	109.6	169.5	-61.1	-79.9	0	0	0	109
39	I	83.8	Confident	80.3	Confident	24 Å²	24	71.3 Å²	71.3	12%	0.123	36%	0.361	C	S	.	.			trans	-123.8	127.4	176.9	-66.5	172.6	0	0	0	107.3	I9 K37 L41 I62 V63	I9-I39 HydrophobicContact CD1-CB 4.06Å; I9-I39 HydrophobicContact CD1-CD1 3.46Å; I9-I39 VanDerWaalsContact CD1-CD1 3.46Å; I9-I39 HydrophobicContact CD1-CG1 4.2Å; I9-I39 HydrophobicContact CD1-CG2 4.47Å; I9-I39 HydrophobicContact CG1-CB 4.24Å; I9-I39 HydrophobicContact CG1-CD1 3.82Å; I9-I39 HydrophobicContact CG1-CG1 4.28Å; I9-I39 HydrophobicContact CG2-CB 3.7Å; K37-I39 HydrophobicContact CB-CD1 4.19Å; K37-I39 HydrophobicContact CB-CG1 4.28Å; K37-I39 PolarHBondContact O-N 3.48Å; I39-L41 HydrophobicContact CG2-CD2 3.77Å; I39-L41 HydrophobicContact CG2-CG 4Å; I39-L41 PolarHBondContact O-N 3.46Å; I39-I62 HydrophobicContact CD1-CB 4.28Å; I39-I62 HydrophobicContact CD1-CG2 3.7Å; I39-I62 HydrophobicContact CG2-CD1 3.45Å; I39-I62 VanDerWaalsContact CG2-CD1 3.45Å; I39-V63 HydrophobicContact CD1-CG1 3.9Å
40	D	87.2	Confident	82.8	Confident	140 Å²	140	68 Å²	68	75%	0.749	34%	0.343	S	S	*	.			trans	-69.7	110.9	173.4	-170.9	22.1	0	0	0	108.6	H11	H11-D40 IonicContact CD2-OD1 2.73Å; H11-D40 IonicContact CE1-OD1 3.17Å; H11-D40 IonicContact NE2-OD1 2.64Å; H11-D40 PolarHBondContact NE2-OD1 3.46Å
41	L	89.8	Confident	85	Confident	3 Å²	3	67 Å²	67	2%	0.016	34%	0.338	C	S	.	.			trans	-118.6	142.9	-179.7	-66.7	177.3	0	0	0	108.9	I9 H11 I39 E43 K55 T58 A59 V68	I9-L41 HydrophobicContact CB-CD1 4.34Å; I9-L41 HydrophobicContact CD1-CD1 4.3Å; I9-L41 HydrophobicContact CG2-CD1 3.64Å; I9-L41 HydrophobicContact CG2-CG 4.2Å; H11-L41 PolarHBondContact CD2-N 3.28Å; H11-L41 VanDerWaalsContact CD2-N 3.33Å; H11-L41 PolarHBondContact NE2-O 3.26Å; I39-L41 HydrophobicContact CG2-CD2 3.77Å; I39-L41 HydrophobicContact CG2-CG 4Å; I39-L41 PolarHBondContact O-N 3.46Å; L41-E43 PolarHBondContact O-N 3.38Å; L41-K55 HydrophobicContact CB-CG 4.3Å; L41-K55 HydrophobicContact CD1-CD 4.44Å; L41-K55 HydrophobicContact CD1-CG 3.65Å; L41-T58 HydrophobicContact CD2-CG2 3.94Å; L41-A59 HydrophobicContact CD1-CB 3.89Å; L41-A59 HydrophobicContact CD2-CB 4.33Å; L41-V68 HydrophobicContact CD1-CG1 4.22Å
42	P	90.1	Very high	87	Confident	57 Å²	57	63 Å²	63	37%	0.37	31%	0.314	S	S	.	.			trans	-61	137.2	174.6	25.4	-34.6	0	0	0	111.6	Y44 T58	P42-Y44 HydrophobicContact CB-CD1 4.46Å; P42-Y44 HydrophobicContact CB-CE1 4Å; P42-Y44 HydrophobicContact CB-CE2 4.38Å; P42-Y44 HydrophobicContact CG-CD2 4.48Å; P42-Y44 HydrophobicContact CG-CE1 3.79Å; P42-Y44 HydrophobicContact CG-CE2 3.66Å; P42-Y44 WeakPolarHBondContact CG-OH 3.15Å; P42-Y44 PolarHBondContact O-N 3.3Å; P42-T58 HydrophobicContact CG-CG2 4.36Å
43	E	90.1	Very high	88.7	Confident	64 Å²	64	66 Å²	66	30%	0.299	32%	0.323	S	S	.	.			trans	-84.7	98.4	170.5	-63.2	-79.6	-149.3	0	0	108.5	H11 L41 K55 K87	H11-E43 IonicContact ND1-OE1 2.68Å; L41-E43 PolarHBondContact O-N 3.38Å; E43-K55 IonicContact OE2-NZ 3.72Å; E43-K55 PolarHBondContact OE2-NZ 2.74Å; E43-K87 IonicContact OE1-NZ 3.56Å; E43-K87 PolarHBondContact OE1-NZ 3.09Å
44	Y	94.3	Very high	90.2	Very high	49 Å²	49	66.5 Å²	66.5	19%	0.192	32%	0.32	C	S	.	.			trans	-74.4	152.5	-177.9	-64.7	-63.7	0	0	0	112.7	P42 V51 R54 T58	P42-Y44 HydrophobicContact CB-CD1 4.46Å; P42-Y44 HydrophobicContact CB-CE1 4Å; P42-Y44 HydrophobicContact CB-CE2 4.38Å; P42-Y44 HydrophobicContact CG-CD2 4.48Å; P42-Y44 HydrophobicContact CG-CE1 3.79Å; P42-Y44 HydrophobicContact CG-CE2 3.66Å; P42-Y44 WeakPolarHBondContact CG-OH 3.15Å; P42-Y44 PolarHBondContact O-N 3.3Å; Y44-V51 WeakPolarHBondContact O-CG2 3.38Å; Y44-R54 HydrophobicContact CD2-CB 3.37Å; Y44-R54 VanDerWaalsContact CE1-NH2 3.3Å; Y44-R54 VanDerWaalsContact CE2-C 3.46Å; Y44-R54 HydrophobicContact CE2-CB 3.47Å; Y44-R54 VanDerWaalsContact CE2-CB 3.47Å; Y44-R54 HydrophobicContact CG-CB 3.97Å; Y44-T58 PolarHBondContact OH-OG1 3.24Å
45	Q	96.6	Very high	91.4	Very high	155 Å²	155	66 Å²	66	72%	0.724	32%	0.316	S	S	*	.			trans	-96.6	145.2	166.7	-59.1	180	20.5	0	0	109.8	R54 Y85	Q45-R54 PolarHBondContact O-NH1 3.23Å; Q45-Y85 HydrophobicContact CB-CE1 4.16Å; Q45-Y85 HydrophobicContact CG-CE1 4.01Å
46	G	96.4	Very high	92.2	Very high	25 Å²	25	62.8 Å²	62.8	26%	0.258	30%	0.299	S	S	.	.	S	Bend	trans	154.2	-167.1	-179.8	0	0	0	0	0	112.5	Y85	G46-Y85 PolarHBondContact N-OH 2.84Å; G46-Y85 PolarHBondContact O-OH 2.94Å
47	Q	96.5	Very high	92.9	Very high	129 Å²	129	63.8 Å²	63.8	60%	0.603	31%	0.306	S	S	*	.			trans	-71.2	155.2	167.4	-62.2	-58.4	-36.4	0	0	110.1	E49 D50 V51	Q47-E49 VanDerWaalsContact C-N 3.25Å; Q47-E49 PolarHBondContact O-N 3.17Å; Q47-E49 VanDerWaalsContact O-N 3.16Å; Q47-D50 PolarHBondContact O-N 3.43Å; Q47-V51 WeakPolarHBondContact O-CG2 3.48Å; Q47-V51 PolarHBondContact O-N 3.31Å
48	P	96.3	Very high	93.5	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.071	29%	0.294	C	S	.	.	H	α-helix	trans	-49.1	-44	-177.6	-29.5	36.2	0	0	0	114	V51 A52 L113	P48-V51 PolarHBondContact O-N 3.31Å; P48-A52 WeakPolarHBondContact O-CB 3.29Å; P48-A52 PolarHBondContact O-N 3.25Å; P48-L113 HydrophobicContact CB-CD2 3.84Å; P48-L113 HydrophobicContact CG-CD2 4.15Å
49	E	97.4	Very high	94	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-38.9	-179.4	-66	72.4	-156.9	0	0	112.4	Q47 R53 L128 Q130	Q47-E49 VanDerWaalsContact C-N 3.25Å; Q47-E49 PolarHBondContact O-N 3.17Å; Q47-E49 VanDerWaalsContact O-N 3.16Å; E49-R53 WeakPolarHBondContact O-CB 3.29Å; E49-R53 PolarHBondContact O-N 3.16Å; E49-L128 HydrophobicContact CB-CD1 3.62Å; E49-L128 HydrophobicContact CG-CD1 3.9Å; E49-Q130 PolarHBondContact OE1-NE2 3.19Å
50	D	97.1	Very high	94.4	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-70.1	-40.6	179	-67.1	-36	0	0	0	111.2	Q47 R53 R54	Q47-D50 PolarHBondContact O-N 3.43Å; D50-R53 PolarHBondContact O-N 3.43Å; D50-R54 WeakPolarHBondContact O-CB 3.12Å; D50-R54 WeakPolarHBondContact O-CG 3.45Å; D50-R54 PolarHBondContact O-N 3.11Å
51	V	96.6	Very high	94.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-52.5	176.4	175.7	0	0	0	0	109.8	Y44 Q47 P48 R53 R54 K55 D70 P84	Y44-V51 WeakPolarHBondContact O-CG2 3.38Å; Q47-V51 WeakPolarHBondContact O-CG2 3.48Å; Q47-V51 PolarHBondContact O-N 3.31Å; P48-V51 PolarHBondContact O-N 3.31Å; V51-R53 PolarHBondContact O-N 2.89Å; V51-R54 PolarHBondContact O-N 3.01Å; V51-K55 VanDerWaalsContact O-CB 3.28Å; V51-K55 WeakPolarHBondContact O-CB 3.25Å; V51-K55 PolarHBondContact O-N 3.02Å; V51-D70 WeakPolarHBondContact CG1-OD2 2.99Å; V51-P84 HydrophobicContact CG2-CB 4.31Å; V51-P84 HydrophobicContact CG2-CG 4.46Å
52	A	96.1	Very high	94.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-43	179.3	0	0	0	0	0	111.9	P48 C56 D70 T115 A117 L128	P48-A52 WeakPolarHBondContact O-CB 3.29Å; P48-A52 PolarHBondContact O-N 3.25Å; A52-C56 WeakPolarHBondContact O-CB 3.03Å; A52-C56 PolarHBondContact O-N 2.95Å; A52-D70 HydrophobicContact CB-CB 4.31Å; A52-T115 HydrophobicContact CB-CG2 3.68Å; A52-A117 HydrophobicContact CB-CB 4.14Å; A52-L128 HydrophobicContact CB-CD2 4.22Å
53	R	96.9	Very high	94.7	Very high	98 Å²	98	56.7 Å²	56.7	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-49.7	178.5	-175	-179.3	-53.1	-70.4	-3.2	112.1	E49 D50 V51 C56 V57 V126 L128	E49-R53 WeakPolarHBondContact O-CB 3.29Å; E49-R53 PolarHBondContact O-N 3.16Å; D50-R53 PolarHBondContact O-N 3.43Å; V51-R53 PolarHBondContact O-N 2.89Å; R53-C56 WeakPolarHBondContact O-CB 3.17Å; R53-C56 PolarHBondContact O-N 3.4Å; R53-V57 WeakPolarHBondContact O-CG2 3.42Å; R53-V57 PolarHBondContact O-N 2.98Å; R53-V126 HydrophobicContact CG-CB 4.14Å; R53-V126 HydrophobicContact CG-CG1 4.28Å; R53-V126 HydrophobicContact CG-CG2 4.3Å; R53-V126 PolarHBondContact NH1-O 3.32Å; R53-L128 VanDerWaalsContact NH2-CD1 3.32Å
54	R	96.4	Very high	94.6	Very high	117 Å²	117	57.1 Å²	57.1	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.4	-69.6	169.7	66.1	-178.4	7.2	111.1	Y44 Q45 D50 V51 C56 V57 T58	Y44-R54 HydrophobicContact CD2-CB 3.37Å; Y44-R54 VanDerWaalsContact CE1-NH2 3.3Å; Y44-R54 VanDerWaalsContact CE2-C 3.46Å; Y44-R54 HydrophobicContact CE2-CB 3.47Å; Y44-R54 VanDerWaalsContact CE2-CB 3.47Å; Y44-R54 HydrophobicContact CG-CB 3.97Å; Q45-R54 PolarHBondContact O-NH1 3.23Å; D50-R54 WeakPolarHBondContact O-CB 3.12Å; D50-R54 WeakPolarHBondContact O-CG 3.45Å; D50-R54 PolarHBondContact O-N 3.11Å; V51-R54 PolarHBondContact O-N 3.01Å; R54-C56 VanDerWaalsContact C-N 3.29Å; R54-C56 PolarHBondContact O-N 3.48Å; R54-V57 PolarHBondContact O-N 2.82Å; R54-T58 PolarHBondContact O-N 2.85Å; R54-T58 PolarHBondContact O-OG1 2.96Å
55	K	95.2	Very high	94.4	Very high	10 Å²	10	55 Å²	55	4%	0.043	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-43.1	174.6	-173.8	174.6	-81.4	168.9	0	111.1	L41 E43 V51 A59 V68 D70	L41-K55 HydrophobicContact CB-CG 4.3Å; L41-K55 HydrophobicContact CD1-CD 4.44Å; L41-K55 HydrophobicContact CD1-CG 3.65Å; E43-K55 IonicContact OE2-NZ 3.72Å; E43-K55 PolarHBondContact OE2-NZ 2.74Å; V51-K55 VanDerWaalsContact O-CB 3.28Å; V51-K55 WeakPolarHBondContact O-CB 3.25Å; V51-K55 PolarHBondContact O-N 3.02Å; K55-A59 VanDerWaalsContact O-CB 3.25Å; K55-A59 WeakPolarHBondContact O-CB 3.41Å; K55-A59 PolarHBondContact O-N 3.43Å; K55-V68 HydrophobicContact CB-CG2 4.3Å; K55-V68 HydrophobicContact CD-CB 4.41Å; K55-V68 HydrophobicContact CD-CG2 4.5Å; K55-V68 HydrophobicContact CG-CB 4.24Å; K55-V68 HydrophobicContact CG-CG1 4.36Å; K55-V68 HydrophobicContact CG-CG2 4.16Å; K55-D70 IonicContact NZ-OD2 3.52Å; K55-D70 PolarHBondContact NZ-OD2 2.78Å
56	C	95.1	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-41.7	177.1	-170.6	0	0	0	0	113	A52 R53 R54 A59 A60 V68 A117 V126	A52-C56 WeakPolarHBondContact O-CB 3.03Å; A52-C56 PolarHBondContact O-N 2.95Å; R53-C56 WeakPolarHBondContact O-CB 3.17Å; R53-C56 PolarHBondContact O-N 3.4Å; R54-C56 VanDerWaalsContact C-N 3.29Å; R54-C56 PolarHBondContact O-N 3.48Å; C56-A59 WeakPolarHBondContact O-CB 3.42Å; C56-A59 PolarHBondContact O-N 3.42Å; C56-A60 WeakPolarHBondContact O-CB 3.45Å; C56-A60 PolarHBondContact O-N 2.93Å; C56-V68 HydrophobicContact CB-CG2 3.65Å; C56-A117 HydrophobicContact CB-CB 3.63Å; C56-A117 PolarHBondContact SG-O 3.17Å; C56-A117 VanDerWaalsContact SG-O 3.4Å; C56-V126 HydrophobicContact CB-CG1 3.92Å; C56-V126 HydrophobicContact CB-CG2 4.31Å
57	V	94.7	Very high	93.9	Very high	67 Å²	67	46.4 Å²	46.4	41%	0.406	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-48.1	176.6	170.5	0	0	0	0	110.7	R53 R54 A59 A60 E61 V126	R53-V57 WeakPolarHBondContact O-CG2 3.42Å; R53-V57 PolarHBondContact O-N 2.98Å; R54-V57 PolarHBondContact O-N 2.82Å; V57-A59 PolarHBondContact O-N 2.97Å; V57-A60 WeakPolarHBondContact O-CB 3.28Å; V57-A60 PolarHBondContact O-N 3.26Å; V57-E61 PolarHBondContact O-N 3.31Å; V57-V126 HydrophobicContact CG2-CG2 3.85Å
58	T	94.2	Very high	93.8	Very high	26 Å²	26	40.3 Å²	40.3	16%	0.16	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-38.7	178.3	-57.8	0	0	0	0	112.3	L41 P42 Y44 R54 A60 E61	L41-T58 HydrophobicContact CD2-CG2 3.94Å; P42-T58 HydrophobicContact CG-CG2 4.36Å; Y44-T58 PolarHBondContact OH-OG1 3.24Å; R54-T58 PolarHBondContact O-N 2.85Å; R54-T58 PolarHBondContact O-OG1 2.96Å; T58-A60 VanDerWaalsContact C-N 3.29Å; T58-A60 PolarHBondContact O-N 3.09Å; T58-E61 WeakPolarHBondContact O-CB 3.4Å; T58-E61 PolarHBondContact O-N 2.96Å
59	A	93.3	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.2	-42.5	171.4	0	0	0	0	0	112.8	I9 L41 K55 C56 V57 E61 I62 V63 V66 V68	I9-A59 HydrophobicContact CD1-CB 3.45Å; I9-A59 VanDerWaalsContact CD1-CB 3.45Å; L41-A59 HydrophobicContact CD1-CB 3.89Å; L41-A59 HydrophobicContact CD2-CB 4.33Å; K55-A59 VanDerWaalsContact O-CB 3.25Å; K55-A59 WeakPolarHBondContact O-CB 3.41Å; K55-A59 PolarHBondContact O-N 3.43Å; C56-A59 WeakPolarHBondContact O-CB 3.42Å; C56-A59 PolarHBondContact O-N 3.42Å; V57-A59 PolarHBondContact O-N 2.97Å; A59-E61 PolarHBondContact O-N 3.36Å; A59-I62 PolarHBondContact O-N 3.26Å; A59-V63 PolarHBondContact O-N 2.93Å; A59-V63 VanDerWaalsContact O-N 3.07Å; A59-V66 HydrophobicContact CB-CG1 4.3Å; A59-V66 HydrophobicContact CB-CG2 3.92Å; A59-V68 HydrophobicContact CB-CG1 3.61Å
60	A	92.9	Very high	93.5	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-17.5	-178.8	0	0	0	0	0	113.9	C56 V57 T58 I62 V63 Q64 V66 K119	C56-A60 WeakPolarHBondContact O-CB 3.45Å; C56-A60 PolarHBondContact O-N 2.93Å; V57-A60 WeakPolarHBondContact O-CB 3.28Å; V57-A60 PolarHBondContact O-N 3.26Å; T58-A60 VanDerWaalsContact C-N 3.29Å; T58-A60 PolarHBondContact O-N 3.09Å; A60-I62 PolarHBondContact O-N 3.38Å; A60-V63 WeakPolarHBondContact CA-O 3.46Å; A60-Q64 HydrophobicContact CB-CG 3.88Å; A60-Q64 VanDerWaalsContact O-CG 3.32Å; A60-Q64 WeakPolarHBondContact O-CG 3.33Å; A60-Q64 PolarHBondContact O-NE2 2.86Å; A60-V66 HydrophobicContact CB-CG1 3.91Å; A60-K119 HydrophobicContact CB-CD 3.64Å; A60-K119 HydrophobicContact CB-CG 4.41Å
61	E	92.4	Very high	93.4	Very high	153 Å²	153	34.7 Å²	34.7	72%	0.715	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.8	170.5	-63.3	173.9	173.9	0	0	112	V57 T58 A59	V57-E61 PolarHBondContact O-N 3.31Å; T58-E61 WeakPolarHBondContact O-CB 3.4Å; T58-E61 PolarHBondContact O-N 2.96Å; A59-E61 PolarHBondContact O-N 3.36Å
62	I	91	Very high	93.4	Very high	107 Å²	107	34.7 Å²	34.7	55%	0.549	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-41.8	-175.2	-59.2	166.1	0	0	0	111.6	I39 A59 A60	I39-I62 HydrophobicContact CD1-CB 4.28Å; I39-I62 HydrophobicContact CD1-CG2 3.7Å; I39-I62 HydrophobicContact CG2-CD1 3.45Å; I39-I62 VanDerWaalsContact CG2-CD1 3.45Å; A59-I62 PolarHBondContact O-N 3.26Å; A60-I62 PolarHBondContact O-N 3.38Å
63	V	89.3	Confident	93.5	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.121	17%	0.166	C	C	.	.			trans	-147.5	139.1	-177.8	63.8	0	0	0	0	111.1	A7 I9 K37 I39 A59 A60 V66	A7-V63 HydrophobicContact CB-CB 4.21Å; A7-V63 HydrophobicContact CB-CG1 3.62Å; A7-V63 HydrophobicContact CB-CG2 3.49Å; A7-V63 VanDerWaalsContact CB-CG2 3.49Å; I9-V63 HydrophobicContact CD1-CG1 3.96Å; K37-V63 HydrophobicContact CD-CG2 4.41Å; I39-V63 HydrophobicContact CD1-CG1 3.9Å; A59-V63 PolarHBondContact O-N 2.93Å; A59-V63 VanDerWaalsContact O-N 3.07Å; A60-V63 WeakPolarHBondContact CA-O 3.46Å; V63-V66 HydrophobicContact CG1-CB 4.28Å; V63-V66 HydrophobicContact CG1-CG2 3.9Å; V63-V66 WeakPolarHBondContact O-CB 3.21Å
64	Q	87.4	Confident	93.6	Very high	74 Å²	74	30 Å²	30	35%	0.346	15%	0.148	S	C	.	.	S	Bend	trans	-139.8	152.2	172	-65.9	177.5	68.8	0	0	108.5	A60 D120 E121	A60-Q64 HydrophobicContact CB-CG 3.88Å; A60-Q64 VanDerWaalsContact O-CG 3.32Å; A60-Q64 WeakPolarHBondContact O-CG 3.33Å; A60-Q64 PolarHBondContact O-NE2 2.86Å; Q64-D120 PolarHBondContact OE1-O 3.26Å; Q64-E121 HydrophobicContact CB-CG 3.66Å
65	P	90.2	Very high	93.7	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.019	13%	0.127	C	C	.	.	S	Bend	cis	-64.8	153.1	-15.3	31.8	-36.2	0	0	0	111.2	P5 L6 A7 Y118 K119 E121	P5-P65 WeakPolarHBondContact O-CD 3.38Å; P5-P65 WeakPolarHBondContact O-CG 3.46Å; L6-P65 HydrophobicContact CD2-CB 3.76Å; L6-P65 HydrophobicContact CD2-CG 3.69Å; L6-P65 HydrophobicContact CG-CG 4.17Å; A7-P65 PolarHBondContact N-O 3.07Å; A7-P65 VanDerWaalsContact N-O 3.08Å; P65-Y118 HydrophobicContact CB-CE2 4.13Å; P65-K119 WeakPolarHBondContact CA-O 3.4Å; P65-E121 WeakPolarHBondContact CD-OE1 3.37Å
66	V	91.6	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.2	-171.2	68.5	0	0	0	0	113.6	A7 I9 A59 A60 V63 V68 Y118 K119	A7-V66 HydrophobicContact CB-CG2 4.5Å; A7-V66 WeakPolarHBondContact O-CA 3.21Å; I9-V66 HydrophobicContact CD1-CG2 3.62Å; I9-V66 HydrophobicContact CG1-CG2 4.11Å; A59-V66 HydrophobicContact CB-CG1 4.3Å; A59-V66 HydrophobicContact CB-CG2 3.92Å; A60-V66 HydrophobicContact CB-CG1 3.91Å; V63-V66 HydrophobicContact CG1-CB 4.28Å; V63-V66 HydrophobicContact CG1-CG2 3.9Å; V63-V66 WeakPolarHBondContact O-CB 3.21Å; V66-V68 HydrophobicContact CG2-CG1 4.44Å; V66-Y118 WeakPolarHBondContact O-CA 3.49Å; V66-Y118 WeakPolarHBondContact O-CD2 3.15Å; V66-K119 HydrophobicContact CG1-CB 4.33Å; V66-K119 PolarHBondContact N-O 3.48Å; V66-K119 PolarHBondContact O-N 3.08Å
67	I	92.1	Very high	94	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.9	171.6	-59.8	159	0	0	0	107.8	L6 A7 T8 I9 M22 Y116 A117 Y118 L182 L186	L6-I67 HydrophobicContact CB-CD1 4.44Å; L6-I67 HydrophobicContact CD2-CD1 4.15Å; L6-I67 HydrophobicContact CD2-CG1 4.46Å; A7-I67 PolarHBondContact O-N 3.39Å; T8-I67 WeakPolarHBondContact CA-O 3.18Å; I9-I67 PolarHBondContact N-O 3Å; M22-I67 HydrophobicContact CE-CD1 4.14Å; M22-I67 HydrophobicContact CE-CG2 4.48Å; I67-Y116 HydrophobicContact CG2-CD1 3.64Å; I67-Y116 HydrophobicContact CG2-CE1 4.38Å; I67-Y116 HydrophobicContact CG2-CG 4.38Å; I67-A117 WeakPolarHBondContact CA-O 3.36Å; I67-Y118 HydrophobicContact CD1-CD2 4.47Å; I67-Y118 HydrophobicContact CG1-CD2 3.66Å; I67-Y118 HydrophobicContact CG1-CE2 4.42Å; I67-L182 HydrophobicContact CD1-CD2 4.19Å; I67-L182 HydrophobicContact CG2-CD2 4.17Å; I67-L186 HydrophobicContact CD1-CD1 4.31Å
68	V	93.1	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.4	166.7	-54.1	0	0	0	0	109.5	I9 L41 K55 C56 A59 V66 Y116 A117	I9-V68 HydrophobicContact CB-CG1 4.24Å; L41-V68 HydrophobicContact CD1-CG1 4.22Å; K55-V68 HydrophobicContact CB-CG2 4.3Å; K55-V68 HydrophobicContact CD-CB 4.41Å; K55-V68 HydrophobicContact CD-CG2 4.5Å; K55-V68 HydrophobicContact CG-CB 4.24Å; K55-V68 HydrophobicContact CG-CG1 4.36Å; K55-V68 HydrophobicContact CG-CG2 4.16Å; C56-V68 HydrophobicContact CB-CG2 3.65Å; A59-V68 HydrophobicContact CB-CG1 3.61Å; V66-V68 HydrophobicContact CG2-CG1 4.44Å; V68-Y116 CarbonylContact O-C 3.59Å; V68-Y116 WeakPolarHBondContact O-CA 2.97Å; V68-A117 HydrophobicContact CG2-CB 3.73Å; V68-A117 PolarHBondContact N-O 3.49Å; V68-A117 PolarHBondContact O-N 2.71Å
69	E	93	Very high	94.3	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.3	176.8	-170.1	-167.3	151.2	0	0	110.3	H10 T71 T115 Y116 R175	H10-E69 IonicContact CD2-OE2 3.71Å; E69-T71 PolarHBondContact OE1-OG1 2.9Å; E69-T115 WeakPolarHBondContact CA-O 3.3Å; E69-Y116 HydrophobicContact CB-CD1 4.01Å; E69-Y116 HydrophobicContact CB-CE1 3.85Å; E69-Y116 HydrophobicContact CG-CD1 4.14Å; E69-Y116 HydrophobicContact CG-CE1 3.82Å; E69-R175 IonicContact OE1-CZ 2.6Å; E69-R175 VanDerWaalsContact OE1-CZ 3.23Å; E69-R175 IonicContact OE1-NE 2.94Å; E69-R175 PolarHBondContact OE1-NE 3.09Å; E69-R175 IonicContact OE1-NH2 3.02Å; E69-R175 PolarHBondContact OE1-NH2 2.81Å; E69-R175 IonicContact OE2-NE 3.74Å
70	D	94.2	Very high	94.6	Very high	16 Å²	16	30.1 Å²	30.1	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.6	166.2	-141.9	-63.7	0	0	0	110.9	V51 A52 K55 T115	V51-D70 WeakPolarHBondContact CG1-OD2 2.99Å; A52-D70 HydrophobicContact CB-CB 4.31Å; K55-D70 IonicContact NZ-OD2 3.52Å; K55-D70 PolarHBondContact NZ-OD2 2.78Å; D70-T115 PolarHBondContact N-O 3.16Å; D70-T115 PolarHBondContact O-N 3.36Å
71	T	94.7	Very high	94.8	Very high	21 Å²	21	33.8 Å²	33.8	13%	0.129	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.8	-175.7	-66.5	0	0	0	0	110.2	E69 L113 W148	E69-T71 PolarHBondContact OE1-OG1 2.9Å; T71-L113 CarbonylContact C-O 3.59Å; T71-L113 WeakPolarHBondContact CA-O 3.28Å; T71-W148 HydrophobicContact CG2-CZ2 4.07Å
72	C	97.4	Very high	95.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.8	178.6	-61.1	0	0	0	0	110.8	G83 P84 L113	C72-G83 WeakPolarHBondContact CA-O 3.47Å; C72-P84 WeakPolarHBondContact SG-CA 3.44Å; C72-P84 VanDerWaalsContact SG-N 3.4Å; C72-L113 HydrophobicContact CB-CB 4.18Å; C72-L113 PolarHBondContact N-O 3.46Å; C72-L113 PolarHBondContact O-N 3.29Å
73	L	98.3	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.7	161.5	-177.7	66.2	0	0	0	108.3	F75 P82 G83 V86 L98 I137 W148 F152	L73-F75 HydrophobicContact CD2-CE1 3.57Å; L73-F75 HydrophobicContact CD2-CZ 4.17Å; L73-F75 HydrophobicContact CG-CD1 4.31Å; L73-F75 HydrophobicContact CG-CE1 3.69Å; L73-P82 WeakPolarHBondContact O-CD 3.48Å; L73-P82 WeakPolarHBondContact O-CG 3.37Å; L73-G83 PolarHBondContact N-O 3.41Å; L73-G83 WeakPolarHBondContact O-CA 3.4Å; L73-G83 PolarHBondContact O-N 3.35Å; L73-V86 HydrophobicContact CB-CB 4.13Å; L73-V86 HydrophobicContact CB-CG2 3.67Å; L73-V86 HydrophobicContact CD2-CG2 4.24Å; L73-L98 HydrophobicContact CD2-CD1 4.46Å; L73-I137 HydrophobicContact CD1-CD1 4.21Å; L73-I137 HydrophobicContact CD2-CD1 4.14Å; L73-I137 HydrophobicContact CG-CD1 4.41Å; L73-W148 HydrophobicContact CB-CD2 4.06Å; L73-W148 HydrophobicContact CB-CG 4.33Å; L73-W148 HydrophobicContact CB-CZ2 4.33Å; L73-W148 HydrophobicContact CD1-CD2 4.07Å; L73-W148 HydrophobicContact CD1-CE3 3.7Å; L73-W148 HydrophobicContact CD1-CH2 4.08Å; L73-W148 HydrophobicContact CD1-CZ2 4.37Å; L73-W148 HydrophobicContact CD1-CZ3 3.72Å; L73-W148 HydrophobicContact CD2-CB 3.87Å; L73-W148 HydrophobicContact CD2-CD2 3.66Å; L73-W148 HydrophobicContact CD2-CE3 3.8Å; L73-W148 HydrophobicContact CD2-CG 3.69Å; L73-W148 HydrophobicContact CG-CD2 4.14Å; L73-W148 HydrophobicContact CG-CE3 4.22Å; L73-F152 HydrophobicContact CD1-CD2 3.73Å; L73-F152 HydrophobicContact CD1-CE2 4.22Å; L73-F152 HydrophobicContact CD1-CG 4.3Å
74	C	98.6	Very high	95.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.4	-167.5	-61	0	0	0	0	110.7	G80 A110 Y111	C74-G80 VanDerWaalsContact CA-O 3.29Å; C74-G80 WeakPolarHBondContact CA-O 3.23Å; C74-G80 WeakPolarHBondContact CB-O 3.36Å; C74-G80 PolarHBondContact SG-O 3.46Å; C74-A110 CarbonylContact O-C 3.45Å; C74-A110 WeakPolarHBondContact O-CA 3.5Å; C74-A110 WeakPolarHBondContact O-CB 3.3Å; C74-Y111 HydrophobicContact CB-CD1 3.84Å; C74-Y111 HydrophobicContact CB-CD2 3.85Å; C74-Y111 HydrophobicContact CB-CE1 3.4Å; C74-Y111 VanDerWaalsContact CB-CE1 3.4Å; C74-Y111 HydrophobicContact CB-CE2 3.43Å; C74-Y111 VanDerWaalsContact CB-CE2 3.43Å; C74-Y111 HydrophobicContact CB-CG 4.04Å; C74-Y111 PolarHBondContact N-O 3.43Å; C74-Y111 PolarHBondContact O-N 3.02Å; C74-Y111 WeakPolarHBondContact SG-CE2 3.48Å; C74-Y111 VanDerWaalsContact SG-CZ 3.56Å
75	F	98.7	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	176.2	-51	-17.5	0	0	0	109.2	L73 A77 L78 G80 L81 P82 L98 L102 A110 I137	L73-F75 HydrophobicContact CD2-CE1 3.57Å; L73-F75 HydrophobicContact CD2-CZ 4.17Å; L73-F75 HydrophobicContact CG-CD1 4.31Å; L73-F75 HydrophobicContact CG-CE1 3.69Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 2.89Å; F75-L78 HydrophobicContact CB-CB 4.31Å; F75-L78 HydrophobicContact CB-CD1 4.48Å; F75-L78 HydrophobicContact CB-CG 4.3Å; F75-L78 HydrophobicContact CD2-CD1 3.71Å; F75-L78 HydrophobicContact CD2-CG 4.36Å; F75-L78 PolarHBondContact O-N 2.75Å; F75-L78 VanDerWaalsContact O-N 3.11Å; F75-G80 WeakPolarHBondContact O-CA 3.47Å; F75-G80 PolarHBondContact O-N 3.28Å; F75-L81 VanDerWaalsContact CB-O 3.24Å; F75-L81 WeakPolarHBondContact CB-O 3.48Å; F75-L81 WeakPolarHBondContact CG-O 3.42Å; F75-L81 PolarHBondContact N-O 3.3Å; F75-P82 HydrophobicContact CZ-CG 4.37Å; F75-L98 HydrophobicContact CZ-CB 4.17Å; F75-L98 HydrophobicContact CZ-CD2 4.17Å; F75-L102 HydrophobicContact CB-CD1 4.2Å; F75-L102 HydrophobicContact CB-CD2 4.01Å; F75-L102 HydrophobicContact CD1-CD1 4.45Å; F75-L102 HydrophobicContact CD2-CD1 3.78Å; F75-L102 HydrophobicContact CD2-CD2 3.74Å; F75-L102 HydrophobicContact CD2-CG 3.74Å; F75-L102 HydrophobicContact CE2-CD1 4.25Å; F75-L102 HydrophobicContact CE2-CG 4.2Å; F75-L102 HydrophobicContact CG-CD1 3.91Å; F75-L102 HydrophobicContact CG-CD2 4.21Å; F75-L102 HydrophobicContact CG-CG 4.32Å; F75-A110 HydrophobicContact CD1-CB 3.97Å; F75-I137 HydrophobicContact CD1-CD1 3.82Å; F75-I137 HydrophobicContact CD1-CG1 3.63Å; F75-I137 HydrophobicContact CE1-CD1 3.39Å; F75-I137 HydrophobicContact CE1-CG1 3.54Å; F75-I137 HydrophobicContact CG-CG1 4.37Å; F75-I137 HydrophobicContact CZ-CD1 4.23Å; F75-I137 HydrophobicContact CZ-CG1 4.2Å
76	N	98.7	Very high	96.5	Very high	73 Å²	73	21.4 Å²	21.4	39%	0.39	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-63.5	-41	-176.9	-70.1	-32.4	0	0	0	111.2	L78 G79 D107 S109 Y111	N76-L78 PolarHBondContact O-N 3.25Å; N76-L78 VanDerWaalsContact O-N 3.14Å; N76-G79 PolarHBondContact O-N 3.47Å; N76-D107 WeakPolarHBondContact CB-OD2 3.32Å; N76-S109 WeakPolarHBondContact CB-OG 3.42Å; N76-S109 PolarHBondContact N-O 3.2Å; N76-S109 PolarHBondContact ND2-OG 2.89Å; N76-Y111 WeakPolarHBondContact OD1-CD1 3.27Å
77	A	98.5	Very high	96.6	Very high	14 Å²	14	25.1 Å²	25.1	12%	0.116	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.2	174.7	0	0	0	0	0	114.6	F75 L102 W105 D107	F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 2.89Å; A77-L102 HydrophobicContact CB-CD2 3.93Å; A77-W105 HydrophobicContact CB-CB 3.87Å; A77-W105 HydrophobicContact CB-CD2 3.81Å; A77-W105 HydrophobicContact CB-CE3 3.83Å; A77-W105 HydrophobicContact CB-CG 3.83Å; A77-W105 WeakPolarHBondContact O-CH2 3.31Å; A77-W105 VanDerWaalsContact O-CZ3 3.24Å; A77-W105 WeakPolarHBondContact O-CZ3 3.34Å; A77-D107 HydrophobicContact CB-CB 4.16Å; A77-D107 WeakPolarHBondContact CB-O 3.18Å; A77-D107 PolarHBondContact N-OD2 2.82Å
78	L	98.1	Very high	96.7	Very high	43 Å²	43	31.4 Å²	31.4	23%	0.225	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-104.5	24.5	178.3	-55.8	-177.2	0	0	0	112.6	F75 N76 G80 L81 M101 L102 W105	F75-L78 HydrophobicContact CB-CB 4.31Å; F75-L78 HydrophobicContact CB-CD1 4.48Å; F75-L78 HydrophobicContact CB-CG 4.3Å; F75-L78 HydrophobicContact CD2-CD1 3.71Å; F75-L78 HydrophobicContact CD2-CG 4.36Å; F75-L78 PolarHBondContact O-N 2.75Å; F75-L78 VanDerWaalsContact O-N 3.11Å; N76-L78 PolarHBondContact O-N 3.25Å; N76-L78 VanDerWaalsContact O-N 3.14Å; L78-G80 PolarHBondContact O-N 2.87Å; L78-L81 HydrophobicContact CB-CB 3.99Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.08Å; L78-L81 VanDerWaalsContact O-N 3.14Å; L78-M101 HydrophobicContact CD1-CE 4Å; L78-L102 HydrophobicContact CD1-CD2 4.16Å; L78-L102 HydrophobicContact CD2-CD2 4.44Å; L78-L102 HydrophobicContact CG-CD2 3.91Å; L78-W105 HydrophobicContact CD2-CZ2 3.72Å
79	G	97.7	Very high	96.9	Very high	79 Å²	79	34.8 Å²	34.8	81%	0.814	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	26	179.8	0	0	0	0	0	113.6	N76	N76-G79 PolarHBondContact O-N 3.47Å
80	G	98	Very high	97	Very high	14 Å²	14	36.1 Å²	36.1	14%	0.144	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-2.9	-178.2	0	0	0	0	0	115.3	C74 F75 L78 G83	C74-G80 VanDerWaalsContact CA-O 3.29Å; C74-G80 WeakPolarHBondContact CA-O 3.23Å; C74-G80 WeakPolarHBondContact CB-O 3.36Å; C74-G80 PolarHBondContact SG-O 3.46Å; F75-G80 WeakPolarHBondContact O-CA 3.47Å; F75-G80 PolarHBondContact O-N 3.28Å; L78-G80 PolarHBondContact O-N 2.87Å; G80-G83 VanDerWaalsContact O-CA 3.28Å; G80-G83 WeakPolarHBondContact O-CA 3.47Å; G80-G83 PolarHBondContact O-N 3.43Å; G80-G83 VanDerWaalsContact O-N 3.14Å
81	L	98.2	Very high	97	Very high	82 Å²	82	43.5 Å²	43.5	43%	0.429	23%	0.229	S	C	.	.			trans	-70.6	153.3	169.7	-70.5	172.3	0	0	0	111.4	F75 L78 G83 Y85	F75-L81 VanDerWaalsContact CB-O 3.24Å; F75-L81 WeakPolarHBondContact CB-O 3.48Å; F75-L81 WeakPolarHBondContact CG-O 3.42Å; F75-L81 PolarHBondContact N-O 3.3Å; L78-L81 HydrophobicContact CB-CB 3.99Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.08Å; L78-L81 VanDerWaalsContact O-N 3.14Å; L81-G83 VanDerWaalsContact C-N 3.32Å; L81-Y85 HydrophobicContact CD2-CD2 3.86Å; L81-Y85 HydrophobicContact CD2-CE2 4.04Å
82	P	97.6	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-71.8	-17.8	0.1	31	-36.8	0	0	0	114.2	L73 F75 Y85 V86 F89 L98	L73-P82 WeakPolarHBondContact O-CD 3.48Å; L73-P82 WeakPolarHBondContact O-CG 3.37Å; F75-P82 HydrophobicContact CZ-CG 4.37Å; P82-Y85 VanDerWaalsContact O-CB 3.3Å; P82-Y85 WeakPolarHBondContact O-CB 3.36Å; P82-Y85 WeakPolarHBondContact O-CD2 3.49Å; P82-Y85 PolarHBondContact O-N 3.05Å; P82-V86 HydrophobicContact CG-CB 4.11Å; P82-V86 HydrophobicContact CG-CG2 4.19Å; P82-F89 HydrophobicContact CB-CB 4.05Å; P82-F89 HydrophobicContact CB-CD1 4.18Å; P82-F89 HydrophobicContact CB-CD2 3.44Å; P82-F89 VanDerWaalsContact CB-CD2 3.44Å; P82-F89 HydrophobicContact CB-CE2 3.84Å; P82-F89 HydrophobicContact CB-CG 3.62Å; P82-F89 HydrophobicContact CB-CZ 4.36Å; P82-F89 HydrophobicContact CG-CB 4.44Å; P82-F89 HydrophobicContact CG-CG 4.43Å; P82-L98 HydrophobicContact CG-CD2 4.41Å
83	G	97.7	Very high	97.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.4	-125.5	173.8	0	0	0	0	0	112.1	C72 L73 G80 L81 Y85 V86	C72-G83 WeakPolarHBondContact CA-O 3.47Å; L73-G83 PolarHBondContact N-O 3.41Å; L73-G83 WeakPolarHBondContact O-CA 3.4Å; L73-G83 PolarHBondContact O-N 3.35Å; G80-G83 VanDerWaalsContact O-CA 3.28Å; G80-G83 WeakPolarHBondContact O-CA 3.47Å; G80-G83 PolarHBondContact O-N 3.43Å; G80-G83 VanDerWaalsContact O-N 3.14Å; L81-G83 VanDerWaalsContact C-N 3.32Å; G83-Y85 PolarHBondContact O-N 3.08Å; G83-Y85 VanDerWaalsContact O-N 3.1Å; G83-V86 WeakPolarHBondContact O-CB 3.43Å; G83-V86 PolarHBondContact O-N 2.86Å; G83-V86 VanDerWaalsContact O-N 3.17Å
84	P	96.5	Very high	96.9	Very high	25 Å²	25	50.7 Å²	50.7	16%	0.162	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.1	179.7	28.6	-34.4	0	0	0	112.9	V51 C72 V86	V51-P84 HydrophobicContact CG2-CB 4.31Å; V51-P84 HydrophobicContact CG2-CG 4.46Å; C72-P84 WeakPolarHBondContact SG-CA 3.44Å; C72-P84 VanDerWaalsContact SG-N 3.4Å; P84-V86 VanDerWaalsContact C-N 3.33Å
85	Y	96.8	Very high	96.8	Very high	62 Å²	62	52.3 Å²	52.3	24%	0.243	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.2	179.5	-45.6	-58.8	0	0	0	113.2	Q45 G46 L81 P82 G83 K87 W88 F89	Q45-Y85 HydrophobicContact CB-CE1 4.16Å; Q45-Y85 HydrophobicContact CG-CE1 4.01Å; G46-Y85 PolarHBondContact N-OH 2.84Å; G46-Y85 PolarHBondContact O-OH 2.94Å; L81-Y85 HydrophobicContact CD2-CD2 3.86Å; L81-Y85 HydrophobicContact CD2-CE2 4.04Å; P82-Y85 VanDerWaalsContact O-CB 3.3Å; P82-Y85 WeakPolarHBondContact O-CB 3.36Å; P82-Y85 WeakPolarHBondContact O-CD2 3.49Å; P82-Y85 PolarHBondContact O-N 3.05Å; G83-Y85 PolarHBondContact O-N 3.08Å; G83-Y85 VanDerWaalsContact O-N 3.1Å; Y85-K87 PolarHBondContact O-N 3.02Å; Y85-K87 VanDerWaalsContact O-N 3.08Å; Y85-W88 PolarHBondContact O-N 3.28Å; Y85-F89 WeakPolarHBondContact O-CD2 3.18Å; Y85-F89 PolarHBondContact O-N 2.93Å
86	V	96.2	Very high	96.7	Very high	8 Å²	8	55.7 Å²	55.7	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-52.6	-36.3	-173.1	65.8	0	0	0	0	113.5	L73 P82 G83 P84 W88 F89 L90 W148	L73-V86 HydrophobicContact CB-CB 4.13Å; L73-V86 HydrophobicContact CB-CG2 3.67Å; L73-V86 HydrophobicContact CD2-CG2 4.24Å; P82-V86 HydrophobicContact CG-CB 4.11Å; P82-V86 HydrophobicContact CG-CG2 4.19Å; G83-V86 WeakPolarHBondContact O-CB 3.43Å; G83-V86 PolarHBondContact O-N 2.86Å; G83-V86 VanDerWaalsContact O-N 3.17Å; P84-V86 VanDerWaalsContact C-N 3.33Å; V86-W88 VanDerWaalsContact C-N 3.28Å; V86-W88 PolarHBondContact O-N 2.85Å; V86-F89 PolarHBondContact O-N 2.81Å; V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 3.1Å; V86-W148 HydrophobicContact CG2-CG 4.04Å
87	K	93.9	Very high	96.6	Very high	78 Å²	78	52.9 Å²	52.9	34%	0.339	30%	0.3	S	S	.	.	H	α-helix	trans	-52.6	-45.2	175.2	176.8	-178.4	175.3	-175	0	112.1	E43 Y85 K91	E43-K87 IonicContact OE1-NZ 3.56Å; E43-K87 PolarHBondContact OE1-NZ 3.09Å; Y85-K87 PolarHBondContact O-N 3.02Å; Y85-K87 VanDerWaalsContact O-N 3.08Å; K87-K91 WeakPolarHBondContact O-CB 3.39Å; K87-K91 PolarHBondContact O-N 2.93Å
88	W	95.1	Very high	96.6	Very high	133 Å²	133	52.2 Å²	52.2	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-75.9	-40.5	-177.1	-57.4	117.4	0	0	0	112.1	Y85 V86 K91 A92	Y85-W88 PolarHBondContact O-N 3.28Å; V86-W88 VanDerWaalsContact C-N 3.28Å; V86-W88 PolarHBondContact O-N 2.85Å; W88-K91 PolarHBondContact O-N 3.48Å; W88-A92 WeakPolarHBondContact O-CB 3.38Å; W88-A92 PolarHBondContact O-N 3.45Å
89	F	96.7	Very high	96.6	Very high	72 Å²	72	53.1 Å²	53.1	32%	0.316	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-49.6	174.6	-81	-99.6	0	0	0	111	P82 Y85 V86 K91 A92 V93 L98 M101	P82-F89 HydrophobicContact CB-CB 4.05Å; P82-F89 HydrophobicContact CB-CD1 4.18Å; P82-F89 HydrophobicContact CB-CD2 3.44Å; P82-F89 VanDerWaalsContact CB-CD2 3.44Å; P82-F89 HydrophobicContact CB-CE2 3.84Å; P82-F89 HydrophobicContact CB-CG 3.62Å; P82-F89 HydrophobicContact CB-CZ 4.36Å; P82-F89 HydrophobicContact CG-CB 4.44Å; P82-F89 HydrophobicContact CG-CG 4.43Å; Y85-F89 WeakPolarHBondContact O-CD2 3.18Å; Y85-F89 PolarHBondContact O-N 2.93Å; V86-F89 PolarHBondContact O-N 2.81Å; F89-K91 VanDerWaalsContact C-N 3.31Å; F89-K91 PolarHBondContact O-N 3.04Å; F89-A92 PolarHBondContact O-N 3Å; F89-A92 VanDerWaalsContact O-N 3.09Å; F89-V93 VanDerWaalsContact O-CG2 3.27Å; F89-V93 WeakPolarHBondContact O-CG2 3.48Å; F89-V93 PolarHBondContact O-N 3.35Å; F89-L98 HydrophobicContact CB-CD2 3.8Å; F89-M101 HydrophobicContact CD1-CE 3.48Å; F89-M101 VanDerWaalsContact CD1-CE 3.48Å; F89-M101 HydrophobicContact CD1-SD 3.68Å; F89-M101 HydrophobicContact CE1-CE 3.44Å; F89-M101 VanDerWaalsContact CE1-CE 3.44Å; F89-M101 HydrophobicContact CE1-SD 4.18Å
90	L	95.6	Very high	96.6	Very high	35 Å²	35	54.4 Å²	54.4	18%	0.183	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-44.2	176.8	-179.7	66	0	0	0	111.6	V86 A92 G94 P95 L98 G147 W148	V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 3.1Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.98Å; L90-G94 WeakPolarHBondContact O-CA 3.37Å; L90-G94 PolarHBondContact O-N 3.02Å; L90-P95 HydrophobicContact CD1-CG 3.87Å; L90-L98 HydrophobicContact CB-CD1 4.28Å; L90-L98 HydrophobicContact CD1-CD1 3.82Å; L90-G147 WeakPolarHBondContact CD2-O 3.41Å; L90-W148 HydrophobicContact CD1-CB 4.29Å; L90-W148 HydrophobicContact CD2-CB 4.44Å
91	K	94.3	Very high	96.6	Very high	171 Å²	171	56.6 Å²	56.6	74%	0.743	29%	0.286	S	S	*	.	H	α-helix	trans	-61.1	-39.5	176.3	-178.1	178.6	179.1	-179.3	0	112.5	K87 W88 F89	K87-K91 WeakPolarHBondContact O-CB 3.39Å; K87-K91 PolarHBondContact O-N 2.93Å; W88-K91 PolarHBondContact O-N 3.48Å; F89-K91 VanDerWaalsContact C-N 3.31Å; F89-K91 PolarHBondContact O-N 3.04Å
92	A	97	Very high	96.6	Very high	82 Å²	82	52.7 Å²	52.7	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-78.8	-42	-175	0	0	0	0	0	113	W88 F89 L90	W88-A92 WeakPolarHBondContact O-CB 3.38Å; W88-A92 PolarHBondContact O-N 3.45Å; F89-A92 PolarHBondContact O-N 3Å; F89-A92 VanDerWaalsContact O-N 3.09Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.98Å
93	V	96.2	Very high	96.6	Very high	69 Å²	69	57.3 Å²	57.3	42%	0.418	29%	0.29	S	S	.	.	H	α-helix	trans	-119.9	-9.4	-168.8	-52.3	0	0	0	0	114.2	F89 G97 L98 M101	F89-V93 VanDerWaalsContact O-CG2 3.27Å; F89-V93 WeakPolarHBondContact O-CG2 3.48Å; F89-V93 PolarHBondContact O-N 3.35Å; V93-G97 VanDerWaalsContact O-CA 3.24Å; V93-G97 WeakPolarHBondContact O-CA 3.48Å; V93-G97 PolarHBondContact O-N 3.01Å; V93-L98 HydrophobicContact CG2-CD2 4.34Å; V93-L98 HydrophobicContact CG2-CG 4.38Å; V93-M101 HydrophobicContact CG2-SD 4.24Å
94	G	94.8	Very high	96.6	Very high	22 Å²	22	61.9 Å²	61.9	23%	0.227	33%	0.328	C	S	.	.	H	α-helix	trans	65.6	176.8	-176.3	0	0	0	0	0	113.8	L90 E96 G97 L98	L90-G94 WeakPolarHBondContact O-CA 3.37Å; L90-G94 PolarHBondContact O-N 3.02Å; G94-E96 VanDerWaalsContact C-N 3.27Å; G94-E96 PolarHBondContact O-N 3.16Å; G94-G97 PolarHBondContact O-N 3.17Å; G94-G97 VanDerWaalsContact O-N 3.12Å; G94-L98 PolarHBondContact O-N 3Å
95	P	95.7	Very high	96.7	Very high	35 Å²	35	66.3 Å²	66.3	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-57.6	-38	177.2	-26	35.1	0	0	0	113.3	L90 G97 L98 Y99 P140 A150 C151	L90-P95 HydrophobicContact CD1-CG 3.87Å; P95-G97 VanDerWaalsContact C-N 3.32Å; P95-G97 PolarHBondContact O-N 2.73Å; P95-L98 PolarHBondContact O-N 2.85Å; P95-Y99 PolarHBondContact O-N 3.03Å; P95-P140 VanDerWaalsContact C-CG 3.48Å; P95-P140 HydrophobicContact CB-CB 4.09Å; P95-P140 HydrophobicContact CB-CG 3.79Å; P95-A150 HydrophobicContact CB-CB 4.37Å; P95-C151 HydrophobicContact CB-CB 4.25Å
96	E	96.6	Very high	96.7	Very high	71 Å²	71	72.7 Å²	72.7	33%	0.332	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-38.8	177.5	179.8	66.8	-168.5	0	0	111.5	G94 K100 P140	G94-E96 VanDerWaalsContact C-N 3.27Å; G94-E96 PolarHBondContact O-N 3.16Å; E96-K100 HydrophobicContact CG-CD 4.22Å; E96-K100 WeakPolarHBondContact O-CB 3.48Å; E96-K100 WeakPolarHBondContact O-CG 3.44Å; E96-K100 PolarHBondContact O-N 2.64Å; E96-K100 WeakPolarHBondContact OE1-CE 3.26Å; E96-K100 IonicContact OE1-NZ 3.23Å; E96-K100 PolarHBondContact OE1-NZ 3.3Å; E96-P140 HydrophobicContact CB-CG 4.19Å; E96-P140 VanDerWaalsContact OE2-CD 3.24Å; E96-P140 WeakPolarHBondContact OE2-CD 3.33Å
97	G	97.5	Very high	96.8	Very high	14 Å²	14	75.4 Å²	75.4	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-41.3	175.3	0	0	0	0	0	112.8	V93 G94 P95 Y99 K100 M101	V93-G97 VanDerWaalsContact O-CA 3.24Å; V93-G97 WeakPolarHBondContact O-CA 3.48Å; V93-G97 PolarHBondContact O-N 3.01Å; G94-G97 PolarHBondContact O-N 3.17Å; G94-G97 VanDerWaalsContact O-N 3.12Å; P95-G97 VanDerWaalsContact C-N 3.32Å; P95-G97 PolarHBondContact O-N 2.73Å; G97-Y99 VanDerWaalsContact C-N 3.3Å; G97-Y99 PolarHBondContact O-N 2.87Å; G97-K100 PolarHBondContact O-N 2.91Å; G97-K100 VanDerWaalsContact O-N 3.13Å; G97-M101 VanDerWaalsContact O-CG 3.3Å; G97-M101 WeakPolarHBondContact O-CG 3.47Å; G97-M101 PolarHBondContact O-N 3.14Å
98	L	97.9	Very high	97.1	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-56.6	-45	174.1	-72	179.1	0	0	0	111.5	L73 F75 P82 F89 L90 V93 G94 P95 M101 W148	L73-L98 HydrophobicContact CD2-CD1 4.46Å; F75-L98 HydrophobicContact CZ-CB 4.17Å; F75-L98 HydrophobicContact CZ-CD2 4.17Å; P82-L98 HydrophobicContact CG-CD2 4.41Å; F89-L98 HydrophobicContact CB-CD2 3.8Å; L90-L98 HydrophobicContact CB-CD1 4.28Å; L90-L98 HydrophobicContact CD1-CD1 3.82Å; V93-L98 HydrophobicContact CG2-CD2 4.34Å; V93-L98 HydrophobicContact CG2-CG 4.38Å; G94-L98 PolarHBondContact O-N 3Å; P95-L98 PolarHBondContact O-N 2.85Å; L98-M101 HydrophobicContact CD2-SD 4.09Å; L98-M101 PolarHBondContact O-N 3.31Å; L98-W148 HydrophobicContact CD1-CB 3.79Å
99	Y	98	Very high	97.2	Very high	63 Å²	63	69.6 Å²	69.6	25%	0.247	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-48.8	172.7	167.2	-111.5	0	0	0	112.1	P95 G97 M101 L102 I137 V138 K139	P95-Y99 PolarHBondContact O-N 3.03Å; G97-Y99 VanDerWaalsContact C-N 3.3Å; G97-Y99 PolarHBondContact O-N 2.87Å; Y99-M101 VanDerWaalsContact C-N 3.28Å; Y99-M101 PolarHBondContact O-N 2.82Å; Y99-L102 PolarHBondContact O-N 2.87Å; Y99-L102 VanDerWaalsContact O-N 3.14Å; Y99-I137 HydrophobicContact CD2-CG2 4.38Å; Y99-V138 WeakPolarHBondContact CD2-O 3.47Å; Y99-K139 HydrophobicContact CD1-CB 4.26Å; Y99-K139 HydrophobicContact CD1-CG 4.41Å; Y99-K139 HydrophobicContact CE1-CB 3.97Å; Y99-K139 HydrophobicContact CE1-CG 4.22Å; Y99-K139 HydrophobicContact CE2-CB 4.38Å
100	K	98.2	Very high	97.3	Very high	106 Å²	106	66.3 Å²	66.3	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-27.4	-178.8	-78.7	173.5	174.5	150.5	0	114.2	E96 G97 L102 N103	E96-K100 HydrophobicContact CG-CD 4.22Å; E96-K100 WeakPolarHBondContact O-CB 3.48Å; E96-K100 WeakPolarHBondContact O-CG 3.44Å; E96-K100 PolarHBondContact O-N 2.64Å; E96-K100 WeakPolarHBondContact OE1-CE 3.26Å; E96-K100 IonicContact OE1-NZ 3.23Å; E96-K100 PolarHBondContact OE1-NZ 3.3Å; G97-K100 PolarHBondContact O-N 2.91Å; G97-K100 VanDerWaalsContact O-N 3.13Å; K100-L102 PolarHBondContact O-N 2.99Å; K100-L102 VanDerWaalsContact O-N 3.15Å; K100-N103 VanDerWaalsContact O-CB 3.28Å; K100-N103 WeakPolarHBondContact O-CB 3.36Å; K100-N103 VanDerWaalsContact O-CG 3.26Å; K100-N103 PolarHBondContact O-N 3.45Å
101	M	97.9	Very high	97.5	Very high	60 Å²	60	66.7 Å²	66.7	30%	0.296	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	175.1	-75.8	170.5	61.9	0	0	112.5	L78 F89 V93 G97 L98 Y99	L78-M101 HydrophobicContact CD1-CE 4Å; F89-M101 HydrophobicContact CD1-CE 3.48Å; F89-M101 VanDerWaalsContact CD1-CE 3.48Å; F89-M101 HydrophobicContact CD1-SD 3.68Å; F89-M101 HydrophobicContact CE1-CE 3.44Å; F89-M101 VanDerWaalsContact CE1-CE 3.44Å; F89-M101 HydrophobicContact CE1-SD 4.18Å; V93-M101 HydrophobicContact CG2-SD 4.24Å; G97-M101 VanDerWaalsContact O-CG 3.3Å; G97-M101 WeakPolarHBondContact O-CG 3.47Å; G97-M101 PolarHBondContact O-N 3.14Å; L98-M101 HydrophobicContact CD2-SD 4.09Å; L98-M101 PolarHBondContact O-N 3.31Å; Y99-M101 VanDerWaalsContact C-N 3.28Å; Y99-M101 PolarHBondContact O-N 2.82Å
102	L	98.4	Very high	97.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.8	179.2	-67	177.9	0	0	0	113.6	F75 A77 L78 Y99 K100 A104 W105 K108 I137	F75-L102 HydrophobicContact CB-CD1 4.2Å; F75-L102 HydrophobicContact CB-CD2 4.01Å; F75-L102 HydrophobicContact CD1-CD1 4.45Å; F75-L102 HydrophobicContact CD2-CD1 3.78Å; F75-L102 HydrophobicContact CD2-CD2 3.74Å; F75-L102 HydrophobicContact CD2-CG 3.74Å; F75-L102 HydrophobicContact CE2-CD1 4.25Å; F75-L102 HydrophobicContact CE2-CG 4.2Å; F75-L102 HydrophobicContact CG-CD1 3.91Å; F75-L102 HydrophobicContact CG-CD2 4.21Å; F75-L102 HydrophobicContact CG-CG 4.32Å; A77-L102 HydrophobicContact CB-CD2 3.93Å; L78-L102 HydrophobicContact CD1-CD2 4.16Å; L78-L102 HydrophobicContact CD2-CD2 4.44Å; L78-L102 HydrophobicContact CG-CD2 3.91Å; Y99-L102 PolarHBondContact O-N 2.87Å; Y99-L102 VanDerWaalsContact O-N 3.14Å; K100-L102 PolarHBondContact O-N 2.99Å; K100-L102 VanDerWaalsContact O-N 3.15Å; L102-A104 PolarHBondContact O-N 3.17Å; L102-W105 HydrophobicContact CD2-CG 4.49Å; L102-W105 WeakPolarHBondContact O-CB 3.24Å; L102-W105 PolarHBondContact O-N 3.38Å; L102-K108 HydrophobicContact CB-CD 4.03Å; L102-K108 PolarHBondContact O-NZ 3.12Å; L102-I137 HydrophobicContact CD1-CB 3.69Å; L102-I137 HydrophobicContact CD1-CG1 3.74Å; L102-I137 HydrophobicContact CD1-CG2 4.07Å
103	N	97.5	Very high	97.7	Very high	97 Å²	97	55 Å²	55	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.1	-173.9	-81.4	-5.4	0	0	0	114.5	K100 W105	K100-N103 VanDerWaalsContact O-CB 3.28Å; K100-N103 WeakPolarHBondContact O-CB 3.36Å; K100-N103 VanDerWaalsContact O-CG 3.26Å; K100-N103 PolarHBondContact O-N 3.45Å; N103-W105 VanDerWaalsContact C-N 3.28Å; N103-W105 PolarHBondContact O-N 3.14Å
104	A	97.5	Very high	97.7	Very high	96 Å²	96	51.7 Å²	51.7	79%	0.793	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-3	-179.7	0	0	0	0	0	114.7	L102	L102-A104 PolarHBondContact O-N 3.17Å
105	W	98.1	Very high	97.8	Very high	118 Å²	118	50.7 Å²	50.7	45%	0.447	26%	0.26	S	S	.	.			trans	-113.5	134.8	-175.3	-55.7	84.2	0	0	0	110	A77 L78 L102 N103 D107 K108	A77-W105 HydrophobicContact CB-CB 3.87Å; A77-W105 HydrophobicContact CB-CD2 3.81Å; A77-W105 HydrophobicContact CB-CE3 3.83Å; A77-W105 HydrophobicContact CB-CG 3.83Å; A77-W105 WeakPolarHBondContact O-CH2 3.31Å; A77-W105 VanDerWaalsContact O-CZ3 3.24Å; A77-W105 WeakPolarHBondContact O-CZ3 3.34Å; L78-W105 HydrophobicContact CD2-CZ2 3.72Å; L102-W105 HydrophobicContact CD2-CG 4.49Å; L102-W105 WeakPolarHBondContact O-CB 3.24Å; L102-W105 PolarHBondContact O-N 3.38Å; N103-W105 VanDerWaalsContact C-N 3.28Å; N103-W105 PolarHBondContact O-N 3.14Å; W105-D107 VanDerWaalsContact C-N 3.35Å; W105-K108 WeakPolarHBondContact O-CE 3.18Å; W105-K108 PolarHBondContact O-NZ 2.83Å
106	E	98	Very high	97.8	Very high	197 Å²	197	49.2 Å²	49.2	92%	0.921	25%	0.249	S	C	*	.	S	Bend	trans	-68.8	-39.4	170.4	-66.5	-176	169.3	0	0	110.7	K108	E106-K108 PolarHBondContact O-N 3.18Å
107	D	98.5	Very high	97.7	Very high	65 Å²	65	45.8 Å²	45.8	35%	0.348	23%	0.234	S	C	.	.			trans	-69.6	114.3	176.2	-179.7	21.8	0	0	0	111.3	N76 A77 W105 S109	N76-D107 WeakPolarHBondContact CB-OD2 3.32Å; A77-D107 HydrophobicContact CB-CB 4.16Å; A77-D107 WeakPolarHBondContact CB-O 3.18Å; A77-D107 PolarHBondContact N-OD2 2.82Å; W105-D107 VanDerWaalsContact C-N 3.35Å; D107-S109 WeakPolarHBondContact OD1-CA 3.45Å; D107-S109 WeakPolarHBondContact OD1-CB 3.39Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 2.9Å; D107-S109 PolarHBondContact OD2-OG 3.06Å
108	K	98.5	Very high	97.5	Very high	51 Å²	51	45.2 Å²	45.2	22%	0.222	23%	0.227	C	C	.	.			trans	-105.6	2.5	173.8	-52.5	-53.4	-178.4	-176.8	0	112.3	L102 W105 E106 T136 I137	L102-K108 HydrophobicContact CB-CD 4.03Å; L102-K108 PolarHBondContact O-NZ 3.12Å; W105-K108 WeakPolarHBondContact O-CE 3.18Å; W105-K108 PolarHBondContact O-NZ 2.83Å; E106-K108 PolarHBondContact O-N 3.18Å; K108-T136 HydrophobicContact CB-CG2 3.68Å; K108-T136 WeakPolarHBondContact O-CA 3.44Å; K108-I137 PolarHBondContact O-N 3.3Å
109	S	98.8	Very high	97.3	Very high	38 Å²	38	46 Å²	46	27%	0.266	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.1	-177.4	70.4	0	0	0	0	110.9	N76 D107 G135	N76-S109 WeakPolarHBondContact CB-OG 3.42Å; N76-S109 PolarHBondContact N-O 3.2Å; N76-S109 PolarHBondContact ND2-OG 2.89Å; D107-S109 WeakPolarHBondContact OD1-CA 3.45Å; D107-S109 WeakPolarHBondContact OD1-CB 3.39Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 2.9Å; D107-S109 PolarHBondContact OD2-OG 3.06Å; S109-G135 WeakPolarHBondContact CA-O 3.33Å
110	A	98.8	Very high	96.9	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	173.5	-178.6	0	0	0	0	0	109.9	C74 F75 G135 I137 F152	C74-A110 CarbonylContact O-C 3.45Å; C74-A110 WeakPolarHBondContact O-CA 3.5Å; C74-A110 WeakPolarHBondContact O-CB 3.3Å; F75-A110 HydrophobicContact CD1-CB 3.97Å; A110-G135 PolarHBondContact N-O 3.11Å; A110-G135 PolarHBondContact O-N 2.86Å; A110-I137 HydrophobicContact CB-CD1 3.63Å; A110-I137 HydrophobicContact CB-CG1 3.59Å; A110-F152 HydrophobicContact CB-CE2 4.32Å
111	Y	98.8	Very high	96.2	Very high	43 Å²	43	45.5 Å²	45.5	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.8	166.9	61.2	-89.5	0	0	0	111.2	C74 N76 L113 K132 V133	C74-Y111 HydrophobicContact CB-CD1 3.84Å; C74-Y111 HydrophobicContact CB-CD2 3.85Å; C74-Y111 HydrophobicContact CB-CE1 3.4Å; C74-Y111 VanDerWaalsContact CB-CE1 3.4Å; C74-Y111 HydrophobicContact CB-CE2 3.43Å; C74-Y111 VanDerWaalsContact CB-CE2 3.43Å; C74-Y111 HydrophobicContact CB-CG 4.04Å; C74-Y111 PolarHBondContact N-O 3.43Å; C74-Y111 PolarHBondContact O-N 3.02Å; C74-Y111 WeakPolarHBondContact SG-CE2 3.48Å; C74-Y111 VanDerWaalsContact SG-CZ 3.56Å; N76-Y111 WeakPolarHBondContact OD1-CD1 3.27Å; Y111-L113 HydrophobicContact CD2-CB 4.05Å; Y111-L113 HydrophobicContact CE2-CB 4.06Å; Y111-L113 HydrophobicContact CE2-CD2 4.38Å; Y111-K132 HydrophobicContact CD2-CD 3.89Å; Y111-K132 VanDerWaalsContact CD2-CE 3.41Å; Y111-K132 HydrophobicContact CD2-CG 3.93Å; Y111-K132 HydrophobicContact CE2-CD 4.33Å; Y111-K132 HydrophobicContact CG-CD 4.26Å; Y111-K132 HydrophobicContact CG-CG 4.31Å; Y111-V133 CarbonylContact C-O 3.6Å; Y111-V133 WeakPolarHBondContact CA-O 3.29Å; Y111-V133 VanDerWaalsContact CB-O 3.3Å; Y111-V133 WeakPolarHBondContact CB-O 3.25Å
112	A	98.2	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.1	166.1	0	0	0	0	0	109.1	K132 V133 W148 F152 H174	A112-K132 VanDerWaalsContact O-CA 3.32Å; A112-K132 WeakPolarHBondContact O-CA 3.49Å; A112-V133 PolarHBondContact N-O 2.8Å; A112-V133 PolarHBondContact O-N 3.32Å; A112-W148 HydrophobicContact CB-CH2 3.36Å; A112-W148 HydrophobicContact CB-CZ2 4.12Å; A112-W148 HydrophobicContact CB-CZ3 4.12Å; A112-F152 HydrophobicContact CB-CE1 4.12Å; A112-F152 HydrophobicContact CB-CZ 4.04Å; A112-H174 HydrophobicContact CB-CB 4.02Å; A112-H174 WeakPolarHBondContact CB-ND1 3.36Å; A112-H174 WeakPolarHBondContact O-CB 3.13Å
113	L	98.1	Very high	94.2	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.1	-178.4	172.3	69.4	0	0	0	109.3	P48 T71 C72 Y111 Q130 G131 K132	P48-L113 HydrophobicContact CB-CD2 3.84Å; P48-L113 HydrophobicContact CG-CD2 4.15Å; T71-L113 CarbonylContact C-O 3.59Å; T71-L113 WeakPolarHBondContact CA-O 3.28Å; C72-L113 HydrophobicContact CB-CB 4.18Å; C72-L113 PolarHBondContact N-O 3.46Å; C72-L113 PolarHBondContact O-N 3.29Å; Y111-L113 HydrophobicContact CD2-CB 4.05Å; Y111-L113 HydrophobicContact CE2-CB 4.06Å; Y111-L113 HydrophobicContact CE2-CD2 4.38Å; L113-Q130 HydrophobicContact CD1-CB 4.05Å; L113-Q130 HydrophobicContact CD1-CG 4.14Å; L113-G131 WeakPolarHBondContact CA-O 3.39Å; L113-K132 HydrophobicContact CD1-CB 4.23Å
114	C	96	Very high	93.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.1	168.5	178.4	0	0	0	0	107.9	Q130 G131 H174 R175 A178	C114-Q130 VanDerWaalsContact O-CA 3.3Å; C114-Q130 WeakPolarHBondContact O-CA 3.18Å; C114-G131 PolarHBondContact N-O 2.82Å; C114-G131 PolarHBondContact O-N 2.86Å; C114-H174 HydrophobicContact CB-CB 4.49Å; C114-R175 HydrophobicContact CB-CB 4.27Å; C114-A178 HydrophobicContact CB-CB 3.9Å
115	T	96.8	Very high	93.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.8	174.6	-54.4	0	0	0	0	109.1	A52 E69 D70 L128 Q130	A52-T115 HydrophobicContact CB-CG2 3.68Å; E69-T115 WeakPolarHBondContact CA-O 3.3Å; D70-T115 PolarHBondContact N-O 3.16Å; D70-T115 PolarHBondContact O-N 3.36Å; T115-L128 HydrophobicContact CG2-CB 4.29Å; T115-L128 HydrophobicContact CG2-CD2 4.19Å; T115-Q130 HydrophobicContact CG2-CG 3.87Å; T115-Q130 WeakPolarHBondContact OG1-CG 3.41Å; T115-Q130 PolarHBondContact OG1-NE2 3Å; T115-Q130 VanDerWaalsContact OG1-NE2 3.16Å
116	Y	94.9	Very high	93.1	Very high	4 Å²	4	48 Å²	48	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.3	161	-72.4	-70.3	0	0	0	108.9	M22 I67 V68 E69 L128 I129 A178 L179 L182	M22-Y116 HydrophobicContact SD-CE1 4.13Å; I67-Y116 HydrophobicContact CG2-CD1 3.64Å; I67-Y116 HydrophobicContact CG2-CE1 4.38Å; I67-Y116 HydrophobicContact CG2-CG 4.38Å; V68-Y116 CarbonylContact O-C 3.59Å; V68-Y116 WeakPolarHBondContact O-CA 2.97Å; E69-Y116 HydrophobicContact CB-CD1 4.01Å; E69-Y116 HydrophobicContact CB-CE1 3.85Å; E69-Y116 HydrophobicContact CG-CD1 4.14Å; E69-Y116 HydrophobicContact CG-CE1 3.82Å; Y116-L128 WeakPolarHBondContact O-CA 3.31Å; Y116-I129 PolarHBondContact N-O 2.94Å; Y116-I129 PolarHBondContact O-N 2.89Å; Y116-A178 HydrophobicContact CD2-CB 3.63Å; Y116-A178 HydrophobicContact CE2-CB 3.78Å; Y116-L179 HydrophobicContact CE2-CB 3.96Å; Y116-L179 HydrophobicContact CE2-CD1 4.33Å; Y116-L182 HydrophobicContact CD1-CD2 4.06Å; Y116-L182 HydrophobicContact CD2-CB 4.35Å; Y116-L182 HydrophobicContact CD2-CD2 4.01Å; Y116-L182 HydrophobicContact CE1-CD2 4.48Å; Y116-L182 HydrophobicContact CE2-CD2 4.46Å; Y116-L182 HydrophobicContact CG-CD2 3.79Å
117	A	95.6	Very high	93.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.3	171	0	0	0	0	0	109.3	A52 C56 I67 V68 V126 H127 L128	A52-A117 HydrophobicContact CB-CB 4.14Å; C56-A117 HydrophobicContact CB-CB 3.63Å; C56-A117 PolarHBondContact SG-O 3.17Å; C56-A117 VanDerWaalsContact SG-O 3.4Å; I67-A117 WeakPolarHBondContact CA-O 3.36Å; V68-A117 HydrophobicContact CG2-CB 3.73Å; V68-A117 PolarHBondContact N-O 3.49Å; V68-A117 PolarHBondContact O-N 2.71Å; A117-V126 HydrophobicContact CB-CG1 3.93Å; A117-H127 CarbonylContact C-O 3.51Å; A117-H127 WeakPolarHBondContact CA-O 3.47Å; A117-L128 HydrophobicContact CB-CD2 3.49Å; A117-L128 VanDerWaalsContact CB-CD2 3.49Å
118	Y	93.7	Very high	93	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.5	-176.9	173.1	-106.6	0	0	0	111.2	L6 P65 V66 I67 D120 V126 H127 F185 L186 L189 Y190	L6-Y118 HydrophobicContact CD2-CD2 4.28Å; L6-Y118 HydrophobicContact CD2-CE2 3.47Å; L6-Y118 VanDerWaalsContact CD2-CE2 3.47Å; P65-Y118 HydrophobicContact CB-CE2 4.13Å; V66-Y118 WeakPolarHBondContact O-CA 3.49Å; V66-Y118 WeakPolarHBondContact O-CD2 3.15Å; I67-Y118 HydrophobicContact CD1-CD2 4.47Å; I67-Y118 HydrophobicContact CG1-CD2 3.66Å; I67-Y118 HydrophobicContact CG1-CE2 4.42Å; Y118-D120 HydrophobicContact CE1-CB 3.95Å; Y118-V126 WeakPolarHBondContact O-CA 3.29Å; Y118-H127 PolarHBondContact N-O 3.43Å; Y118-H127 PolarHBondContact O-N 2.84Å; Y118-F185 AromaticContact CD1-CE1 3.53Å; Y118-F185 HydrophobicContact CD1-CE1 3.53Å; Y118-F185 HydrophobicContact CD1-CZ 4.24Å; Y118-F185 HydrophobicContact CE1-CE1 4.04Å; Y118-F185 HydrophobicContact CG-CE1 4.27Å; Y118-L186 HydrophobicContact CD2-CD2 4.28Å; Y118-L186 HydrophobicContact CE1-CD2 4.29Å; Y118-L186 HydrophobicContact CE2-CD2 4.02Å; Y118-L189 HydrophobicContact CD1-CD1 4.3Å; Y118-L189 HydrophobicContact CE1-CD1 3.65Å; Y118-Y190 PolarHBondContact OH-OH 3.14Å
119	K	93.1	Very high	93	Very high	17 Å²	17	38.1 Å²	38.1	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126	169.3	-175.4	173.9	175.3	-55.4	0	110.6	A60 P65 V66 S123 V126	A60-K119 HydrophobicContact CB-CD 3.64Å; A60-K119 HydrophobicContact CB-CG 4.41Å; P65-K119 WeakPolarHBondContact CA-O 3.4Å; V66-K119 HydrophobicContact CG1-CB 4.33Å; V66-K119 PolarHBondContact N-O 3.48Å; V66-K119 PolarHBondContact O-N 3.08Å; K119-S123 VanDerWaalsContact CE-O 3.29Å; K119-S123 WeakPolarHBondContact CE-O 2.88Å; K119-S123 PolarHBondContact NZ-O 2.84Å; K119-S123 VanDerWaalsContact NZ-O 3.14Å; K119-V126 HydrophobicContact CB-CG2 4.32Å; K119-V126 HydrophobicContact CD-CG2 4.16Å
120	D	88.6	Confident	92.9	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.182	21%	0.205	C	C	.	.			trans	-83.9	164.6	173.2	-175.7	30.7	0	0	0	111.7	Q64 Y118 S122 Y190	Q64-D120 PolarHBondContact OE1-O 3.26Å; Y118-D120 HydrophobicContact CE1-CB 3.95Å; D120-S122 VanDerWaalsContact C-N 3.32Å; D120-S122 WeakPolarHBondContact OD2-CB 3.44Å; D120-S122 PolarHBondContact OD2-N 3.27Å; D120-S122 PolarHBondContact OD2-OG 3.23Å; D120-Y190 PolarHBondContact OD1-OH 2.96Å
121	E	83.6	Confident	92.9	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	21%	0.205	S	C	*	.	S	Bend	trans	-63.4	-36	173.2	-67.3	-179.3	-169.4	0	0	112.4	Q64 P65	Q64-E121 HydrophobicContact CB-CG 3.66Å; P65-E121 WeakPolarHBondContact CD-OE1 3.37Å
122	S	77.5	Confident	92.8	Very high	105 Å²	105	42.2 Å²	42.2	73%	0.734	22%	0.219	S	C	*	.	S	Bend	trans	-81.5	-16.4	-171.4	70.4	0	0	0	0	114.5	D120	D120-S122 VanDerWaalsContact C-N 3.32Å; D120-S122 WeakPolarHBondContact OD2-CB 3.44Å; D120-S122 PolarHBondContact OD2-N 3.27Å; D120-S122 PolarHBondContact OD2-OG 3.23Å
123	S	77.3	Confident	92.9	Very high	34 Å²	34	42.9 Å²	42.9	24%	0.238	22%	0.223	C	C	.	.			trans	-125.3	140.1	-169.1	-175.5	0	0	0	0	112.4	K119 Q125	K119-S123 VanDerWaalsContact CE-O 3.29Å; K119-S123 WeakPolarHBondContact CE-O 2.88Å; K119-S123 PolarHBondContact NZ-O 2.84Å; K119-S123 VanDerWaalsContact NZ-O 3.14Å; S123-Q125 PolarHBondContact O-N 3.13Å; S123-Q125 WeakPolarHBondContact OG-CB 3.41Å; S123-Q125 PolarHBondContact OG-N 2.96Å
124	N	82.2	Confident	92.9	Very high	159 Å²	159	44.8 Å²	44.8	85%	0.85	24%	0.24	S	C	*	.	S	Bend	trans	-80.9	-0.1	166.6	-77.6	-19.7	0	0	0	112.6
125	Q	93.1	Very high	93	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-84.1	134.1	178.8	-169.5	173.7	5.7	0	0	111.4	S123	S123-Q125 PolarHBondContact O-N 3.13Å; S123-Q125 WeakPolarHBondContact OG-CB 3.41Å; S123-Q125 PolarHBondContact OG-N 2.96Å
126	V	95.8	Very high	93.1	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-97.5	121.7	165.7	175.7	0	0	0	0	108.8	R53 C56 V57 A117 Y118 K119 L128	R53-V126 HydrophobicContact CG-CB 4.14Å; R53-V126 HydrophobicContact CG-CG1 4.28Å; R53-V126 HydrophobicContact CG-CG2 4.3Å; R53-V126 PolarHBondContact NH1-O 3.32Å; C56-V126 HydrophobicContact CB-CG1 3.92Å; C56-V126 HydrophobicContact CB-CG2 4.31Å; V57-V126 HydrophobicContact CG2-CG2 3.85Å; A117-V126 HydrophobicContact CB-CG1 3.93Å; Y118-V126 WeakPolarHBondContact O-CA 3.29Å; K119-V126 HydrophobicContact CB-CG2 4.32Å; K119-V126 HydrophobicContact CD-CG2 4.16Å; V126-L128 HydrophobicContact CG1-CD2 3.91Å
127	H	96.4	Very high	93.3	Very high	43 Å²	43	47.1 Å²	47.1	20%	0.199	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.5	174.1	-60.7	-88.6	0	0	0	109.2	A117 Y118 I129 F185	A117-H127 CarbonylContact C-O 3.51Å; A117-H127 WeakPolarHBondContact CA-O 3.47Å; Y118-H127 PolarHBondContact N-O 3.43Å; Y118-H127 PolarHBondContact O-N 2.84Å; H127-I129 HydrophobicContact CB-CD1 4.04Å; H127-F185 HydrophobicContact CB-CE1 4.11Å; H127-F185 HydrophobicContact CB-CE2 4.33Å; H127-F185 HydrophobicContact CB-CZ 3.68Å; H127-F185 AromaticContact CD2-CZ 3.82Å; H127-F185 AromaticContact CG-CZ 3.39Å; H127-F185 AromaticContact ND1-CE2 3.81Å; H127-F185 AromaticContact ND1-CZ 3.54Å
128	L	97.6	Very high	93.4	Very high	47 Å²	47	48 Å²	48	25%	0.246	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	175.5	-58.5	-176.4	0	0	0	109	E49 A52 R53 T115 Y116 A117 V126	E49-L128 HydrophobicContact CB-CD1 3.62Å; E49-L128 HydrophobicContact CG-CD1 3.9Å; A52-L128 HydrophobicContact CB-CD2 4.22Å; R53-L128 VanDerWaalsContact NH2-CD1 3.32Å; T115-L128 HydrophobicContact CG2-CB 4.29Å; T115-L128 HydrophobicContact CG2-CD2 4.19Å; Y116-L128 WeakPolarHBondContact O-CA 3.31Å; A117-L128 HydrophobicContact CB-CD2 3.49Å; A117-L128 VanDerWaalsContact CB-CD2 3.49Å; V126-L128 HydrophobicContact CG1-CD2 3.91Å
129	I	97.3	Very high	93.6	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.077	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.9	-178.6	-58.8	89.3	0	0	0	108	Y116 H127 K181 L182 F185	Y116-I129 PolarHBondContact N-O 2.94Å; Y116-I129 PolarHBondContact O-N 2.89Å; H127-I129 HydrophobicContact CB-CD1 4.04Å; I129-K181 HydrophobicContact CG2-CB 3.42Å; I129-K181 VanDerWaalsContact CG2-CB 3.42Å; I129-L182 HydrophobicContact CD1-CD1 3.99Å; I129-L182 HydrophobicContact CG1-CD1 4.41Å; I129-L182 HydrophobicContact CG2-CB 4.28Å; I129-F185 HydrophobicContact CD1-CD1 4.19Å; I129-F185 HydrophobicContact CD1-CE1 4.42Å; I129-F185 HydrophobicContact CG1-CG 4.41Å
130	Q	98.1	Very high	93.8	Very high	60 Å²	60	55.1 Å²	55.1	28%	0.28	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139	-168.7	-70.5	-178.1	-37.6	0	0	113.5	E49 L113 C114 T115 K181	E49-Q130 PolarHBondContact OE1-NE2 3.19Å; L113-Q130 HydrophobicContact CD1-CB 4.05Å; L113-Q130 HydrophobicContact CD1-CG 4.14Å; C114-Q130 VanDerWaalsContact O-CA 3.3Å; C114-Q130 WeakPolarHBondContact O-CA 3.18Å; T115-Q130 HydrophobicContact CG2-CG 3.87Å; T115-Q130 WeakPolarHBondContact OG1-CG 3.41Å; T115-Q130 PolarHBondContact OG1-NE2 3Å; T115-Q130 VanDerWaalsContact OG1-NE2 3.16Å; Q130-K181 VanDerWaalsContact O-CD 3.25Å; Q130-K181 WeakPolarHBondContact O-CD 3.27Å; Q130-K181 PolarHBondContact O-NZ 3.34Å
131	G	97.6	Very high	94.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.8	164.8	0	0	0	0	0	109.7	L113 C114 H174	L113-G131 WeakPolarHBondContact CA-O 3.39Å; C114-G131 PolarHBondContact N-O 2.82Å; C114-G131 PolarHBondContact O-N 2.86Å; G131-H174 CarbonylContact C-O 3.33Å; G131-H174 VanDerWaalsContact CA-O 3.29Å; G131-H174 WeakPolarHBondContact CA-O 3.28Å
132	K	98.3	Very high	94.7	Very high	109 Å²	109	53.2 Å²	53.2	47%	0.474	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.3	-172.2	178.9	174.7	172.4	165.2	0	109.5	Y111 A112 L113 Q177	Y111-K132 HydrophobicContact CD2-CD 3.89Å; Y111-K132 VanDerWaalsContact CD2-CE 3.41Å; Y111-K132 HydrophobicContact CD2-CG 3.93Å; Y111-K132 HydrophobicContact CE2-CD 4.33Å; Y111-K132 HydrophobicContact CG-CD 4.26Å; Y111-K132 HydrophobicContact CG-CG 4.31Å; A112-K132 VanDerWaalsContact O-CA 3.32Å; A112-K132 WeakPolarHBondContact O-CA 3.49Å; L113-K132 HydrophobicContact CD1-CB 4.23Å; K132-Q177 PolarHBondContact O-OE1 3.15Å
133	V	98.4	Very high	95.1	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.7	176.2	175.6	0	0	0	0	108.4	Y111 A112 F152 P154 Y161 I172 H174	Y111-V133 CarbonylContact C-O 3.6Å; Y111-V133 WeakPolarHBondContact CA-O 3.29Å; Y111-V133 VanDerWaalsContact CB-O 3.3Å; Y111-V133 WeakPolarHBondContact CB-O 3.25Å; A112-V133 PolarHBondContact N-O 2.8Å; A112-V133 PolarHBondContact O-N 3.32Å; V133-F152 HydrophobicContact CG1-CE1 4.13Å; V133-F152 HydrophobicContact CG1-CZ 4.24Å; V133-P154 HydrophobicContact CG1-CB 3.7Å; V133-Y161 WeakPolarHBondContact CG1-OH 3.28Å; V133-I172 WeakPolarHBondContact CG2-O 3.49Å; V133-H174 HydrophobicContact CB-CB 4.31Å; V133-H174 HydrophobicContact CG2-CB 3.95Å; V133-H174 VanDerWaalsContact CG2-N 3.28Å
134	A	98.7	Very high	94.6	Very high	47 Å²	47	54.1 Å²	54.1	39%	0.388	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	151.3	170.3	0	0	0	0	0	110.2	D155	A134-D155 WeakPolarHBondContact CB-OD2 3.31Å; A134-D155 PolarHBondContact O-N 3.17Å
135	G	98.6	Very high	93.8	Very high	1 Å²	1	54 Å²	54	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-168.2	-178.1	0	0	0	0	0	112.1	S109 A110 Q153 D155	S109-G135 WeakPolarHBondContact CA-O 3.33Å; A110-G135 PolarHBondContact N-O 3.11Å; A110-G135 PolarHBondContact O-N 2.86Å; G135-Q153 CarbonylContact C-O 3.59Å; G135-Q153 WeakPolarHBondContact CA-O 3.47Å; G135-D155 VanDerWaalsContact CA-OD1 3.27Å; G135-D155 WeakPolarHBondContact CA-OD1 3.34Å
136	T	98.7	Very high	92.6	Very high	50 Å²	50	52 Å²	52	31%	0.307	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.8	179.8	-62.9	0	0	0	0	110.1	K108 V138 Q153	K108-T136 HydrophobicContact CB-CG2 3.68Å; K108-T136 WeakPolarHBondContact O-CA 3.44Å; T136-V138 HydrophobicContact CG2-CG1 4.03Å; T136-Q153 PolarHBondContact N-O 3.3Å; T136-Q153 PolarHBondContact O-N 3.45Å
137	I	98.7	Very high	92	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.4	170.2	-55.1	-57.9	0	0	0	109.4	L73 F75 Y99 L102 K108 A110 C151 F152	L73-I137 HydrophobicContact CD1-CD1 4.21Å; L73-I137 HydrophobicContact CD2-CD1 4.14Å; L73-I137 HydrophobicContact CG-CD1 4.41Å; F75-I137 HydrophobicContact CD1-CD1 3.82Å; F75-I137 HydrophobicContact CD1-CG1 3.63Å; F75-I137 HydrophobicContact CE1-CD1 3.39Å; F75-I137 HydrophobicContact CE1-CG1 3.54Å; F75-I137 HydrophobicContact CG-CG1 4.37Å; F75-I137 HydrophobicContact CZ-CD1 4.23Å; F75-I137 HydrophobicContact CZ-CG1 4.2Å; Y99-I137 HydrophobicContact CD2-CG2 4.38Å; L102-I137 HydrophobicContact CD1-CB 3.69Å; L102-I137 HydrophobicContact CD1-CG1 3.74Å; L102-I137 HydrophobicContact CD1-CG2 4.07Å; K108-I137 PolarHBondContact O-N 3.3Å; A110-I137 HydrophobicContact CB-CD1 3.63Å; A110-I137 HydrophobicContact CB-CG1 3.59Å; I137-C151 CarbonylContact C-O 3.59Å; I137-C151 VanDerWaalsContact CA-O 3.26Å; I137-C151 WeakPolarHBondContact CA-O 3.23Å; I137-C151 HydrophobicContact CG2-CB 4.5Å; I137-F152 HydrophobicContact CD1-CD2 4.04Å
138	V	98.4	Very high	91.9	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.121	28%	0.283	C	S	.	.			trans	-121.3	163.5	-174.2	-63.4	0	0	0	0	110.8	Y99 T136 C151 Q153 T160	Y99-V138 WeakPolarHBondContact CD2-O 3.47Å; T136-V138 HydrophobicContact CG2-CG1 4.03Å; V138-C151 PolarHBondContact N-O 3.39Å; V138-C151 WeakPolarHBondContact O-CB 3.32Å; V138-Q153 HydrophobicContact CG1-CB 3.99Å; V138-Q153 HydrophobicContact CG2-CB 4.01Å; V138-T160 HydrophobicContact CG2-CG2 3.62Å
139	K	97.8	Very high	91.8	Very high	128 Å²	128	50 Å²	50	56%	0.557	28%	0.277	S	S	*	.	S	Bend	trans	-54.9	131.8	170	-172.6	177.1	-178.1	-179.7	0	108.6	Y99 R141	Y99-K139 HydrophobicContact CD1-CB 4.26Å; Y99-K139 HydrophobicContact CD1-CG 4.41Å; Y99-K139 HydrophobicContact CE1-CB 3.97Å; Y99-K139 HydrophobicContact CE1-CG 4.22Å; Y99-K139 HydrophobicContact CE2-CB 4.38Å; K139-R141 WeakPolarHBondContact O-CG 3.5Å; K139-R141 PolarHBondContact O-N 3.4Å
140	P	97.5	Very high	91.8	Very high	38 Å²	38	49.5 Å²	49.5	25%	0.247	28%	0.275	C	S	.	.			trans	-54.3	132.1	-173.7	-26.2	32	0	0	0	113.7	P95 E96 A150 C151	P95-P140 VanDerWaalsContact C-CG 3.48Å; P95-P140 HydrophobicContact CB-CB 4.09Å; P95-P140 HydrophobicContact CB-CG 3.79Å; E96-P140 HydrophobicContact CB-CG 4.19Å; E96-P140 VanDerWaalsContact OE2-CD 3.24Å; E96-P140 WeakPolarHBondContact OE2-CD 3.33Å; P140-A150 CarbonylContact C-O 3.47Å; P140-A150 WeakPolarHBondContact CA-O 3.3Å; P140-A150 HydrophobicContact CB-CB 4.09Å; P140-C151 HydrophobicContact CG-CB 4.22Å
141	R	97.4	Very high	91.8	Very high	77 Å²	77	46.6 Å²	46.6	29%	0.291	26%	0.262	S	S	.	.			trans	-137.8	156.3	173.2	-54.6	-174.9	-60.9	-88.5	14.5	110.6	K139 A150 E158 T160 E163	K139-R141 WeakPolarHBondContact O-CG 3.5Å; K139-R141 PolarHBondContact O-N 3.4Å; R141-A150 PolarHBondContact N-O 3.36Å; R141-A150 WeakPolarHBondContact O-CA 3.43Å; R141-A150 WeakPolarHBondContact O-CB 3.38Å; R141-E158 PolarHBondContact NH2-O 3.28Å; R141-T160 HydrophobicContact CB-CG2 4.05Å; R141-T160 PolarHBondContact O-OG1 3.13Å; R141-E163 HydrophobicContact CB-CG 4.02Å; R141-E163 VanDerWaalsContact CB-OE1 3.3Å; R141-E163 WeakPolarHBondContact CB-OE1 3.29Å; R141-E163 IonicContact CZ-OE2 3.66Å; R141-E163 IonicContact NE-OE1 2.92Å; R141-E163 IonicContact NE-OE2 2.75Å; R141-E163 PolarHBondContact NE-OE2 3.49Å; R141-E163 IonicContact NH2-OE2 3.63Å
142	G	94.3	Very high	91.8	Very high	42 Å²	42	46.6 Å²	46.6	43%	0.433	26%	0.262	S	S	.	.	S	Bend	trans	80.7	165.7	-176.4	0	0	0	0	0	113.5	S144	G142-S144 PolarHBondContact O-N 2.94Å
143	T	84.5	Confident	91.8	Very high	115 Å²	115	43.1 Å²	43.1	71%	0.706	25%	0.247	S	C	*	.			trans	-88.9	101	176.3	-56.8	0	0	0	0	108.3	N145	T143-N145 PolarHBondContact O-N 2.6Å
144	S	68.2	Low	91.8	Very high	42 Å²	42	42.6 Å²	42.6	29%	0.294	24%	0.244	S	C	.	.			trans	-81.9	103	173.1	174.1	0	0	0	0	109.2	G142 F146 G147	G142-S144 PolarHBondContact O-N 2.94Å; S144-F146 PolarHBondContact OG-O 3.13Å; S144-G147 PolarHBondContact OG-O 3.39Å
145	N	63.7	Low	91.8	Very high	156 Å²	156	45 Å²	45	83%	0.834	25%	0.25	S	C	*	.	S	Bend	trans	-73.6	-21.2	166.1	-67.9	-27.8	0	0	0	111.2	T143	T143-N145 PolarHBondContact O-N 2.6Å
146	F	67.8	Low	91.7	Very high	78 Å²	78	48.9 Å²	48.9	34%	0.342	29%	0.29	S	S	.	.	S	Bend	trans	-150.4	141.5	-176.8	-169.6	-100.9	0	0	0	112.5	Q13 S144	Q13-F146 HydrophobicContact CB-CZ 4.33Å; Q13-F146 HydrophobicContact CG-CE1 3.81Å; Q13-F146 HydrophobicContact CG-CE2 4.31Å; Q13-F146 HydrophobicContact CG-CZ 3.43Å; Q13-F146 VanDerWaalsContact CG-CZ 3.43Å; S144-F146 PolarHBondContact OG-O 3.13Å
147	G	83.4	Confident	91.6	Very high	17 Å²	17	50 Å²	50	18%	0.175	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-157.1	166.2	0	0	0	0	0	115.9	L90 S144	L90-G147 WeakPolarHBondContact CD2-O 3.41Å; S144-G147 PolarHBondContact OG-O 3.39Å
148	W	95.5	Very high	91.6	Very high	16 Å²	16	57.2 Å²	57.2	6%	0.061	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.4	-177.8	43.2	-98.8	0	0	0	111.9	T71 L73 V86 L90 L98 A112 A150 C151 F152 Y161 H174	T71-W148 HydrophobicContact CG2-CZ2 4.07Å; L73-W148 HydrophobicContact CB-CD2 4.06Å; L73-W148 HydrophobicContact CB-CG 4.33Å; L73-W148 HydrophobicContact CB-CZ2 4.33Å; L73-W148 HydrophobicContact CD1-CD2 4.07Å; L73-W148 HydrophobicContact CD1-CE3 3.7Å; L73-W148 HydrophobicContact CD1-CH2 4.08Å; L73-W148 HydrophobicContact CD1-CZ2 4.37Å; L73-W148 HydrophobicContact CD1-CZ3 3.72Å; L73-W148 HydrophobicContact CD2-CB 3.87Å; L73-W148 HydrophobicContact CD2-CD2 3.66Å; L73-W148 HydrophobicContact CD2-CE3 3.8Å; L73-W148 HydrophobicContact CD2-CG 3.69Å; L73-W148 HydrophobicContact CG-CD2 4.14Å; L73-W148 HydrophobicContact CG-CE3 4.22Å; V86-W148 HydrophobicContact CG2-CG 4.04Å; L90-W148 HydrophobicContact CD1-CB 4.29Å; L90-W148 HydrophobicContact CD2-CB 4.44Å; L98-W148 HydrophobicContact CD1-CB 3.79Å; A112-W148 HydrophobicContact CB-CH2 3.36Å; A112-W148 HydrophobicContact CB-CZ2 4.12Å; A112-W148 HydrophobicContact CB-CZ3 4.12Å; W148-A150 PolarHBondContact O-N 2.94Å; W148-C151 PolarHBondContact O-N 3.42Å; W148-C151 PolarHBondContact O-SG 2.87Å; W148-F152 HydrophobicContact CE3-CB 3.69Å; W148-F152 HydrophobicContact CE3-CG 4.23Å; W148-F152 HydrophobicContact CZ3-CB 3.59Å; W148-F152 AromaticContact CZ3-CD1 3.83Å; W148-F152 HydrophobicContact CZ3-CD1 3.83Å; W148-F152 HydrophobicContact CZ3-CD2 4.36Å; W148-F152 AromaticContact CZ3-CG 3.67Å; W148-F152 HydrophobicContact CZ3-CG 3.67Å; W148-Y161 HydrophobicContact CH2-CD2 4.32Å; W148-Y161 HydrophobicContact CH2-CE2 4.17Å; W148-Y161 AromaticContact CZ3-CD2 3.98Å; W148-Y161 HydrophobicContact CZ3-CD2 3.98Å; W148-Y161 HydrophobicContact CZ3-CE2 4.16Å; W148-H174 AromaticContact CH2-CE1 3.54Å; W148-H174 AromaticContact CH2-NE2 3.96Å; W148-H174 AromaticContact CZ2-CE1 3.88Å; W148-H174 AromaticContact CZ2-NE2 3.86Å
149	D	95.9	Very high	91.5	Very high	22 Å²	22	59.7 Å²	59.7	12%	0.118	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-49.5	-37.5	-175.1	-78.5	-5	0	0	0	113.4	C151 F152 Y161 A162 K169	D149-C151 PolarHBondContact O-N 3.06Å; D149-F152 PolarHBondContact O-N 3.25Å; D149-Y161 PolarHBondContact O-N 3.22Å; D149-A162 HydrophobicContact CB-CB 3.91Å; D149-A162 PolarHBondContact O-N 3.47Å; D149-K169 IonicContact OD1-NZ 3.76Å; D149-K169 PolarHBondContact OD1-NZ 3.5Å; D149-K169 IonicContact OD2-NZ 2.82Å; D149-K169 PolarHBondContact OD2-NZ 3.14Å
150	A	96.7	Very high	91.5	Very high	5 Å²	5	53.6 Å²	53.6	4%	0.041	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.7	-177.2	0	0	0	0	0	113.6	P95 P140 R141 W148 T160 A162	P95-A150 HydrophobicContact CB-CB 4.37Å; P140-A150 CarbonylContact C-O 3.47Å; P140-A150 WeakPolarHBondContact CA-O 3.3Å; P140-A150 HydrophobicContact CB-CB 4.09Å; R141-A150 PolarHBondContact N-O 3.36Å; R141-A150 WeakPolarHBondContact O-CA 3.43Å; R141-A150 WeakPolarHBondContact O-CB 3.38Å; W148-A150 PolarHBondContact O-N 2.94Å; A150-T160 WeakPolarHBondContact O-CG2 3.48Å; A150-A162 HydrophobicContact CB-CB 3.94Å
151	C	97.7	Very high	91.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-105.7	8.4	-179	66.8	0	0	0	0	113.8	P95 I137 V138 P140 W148 D149	P95-C151 HydrophobicContact CB-CB 4.25Å; I137-C151 CarbonylContact C-O 3.59Å; I137-C151 VanDerWaalsContact CA-O 3.26Å; I137-C151 WeakPolarHBondContact CA-O 3.23Å; I137-C151 HydrophobicContact CG2-CB 4.5Å; V138-C151 PolarHBondContact N-O 3.39Å; V138-C151 WeakPolarHBondContact O-CB 3.32Å; P140-C151 HydrophobicContact CG-CB 4.22Å; W148-C151 PolarHBondContact O-N 3.42Å; W148-C151 PolarHBondContact O-SG 2.87Å; D149-C151 PolarHBondContact O-N 3.06Å
152	F	98.2	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.9	178.9	-177.5	-100.2	0	0	0	110.9	L73 A110 A112 V133 I137 W148 D149 P154 T160 Y161	L73-F152 HydrophobicContact CD1-CD2 3.73Å; L73-F152 HydrophobicContact CD1-CE2 4.22Å; L73-F152 HydrophobicContact CD1-CG 4.3Å; A110-F152 HydrophobicContact CB-CE2 4.32Å; A112-F152 HydrophobicContact CB-CE1 4.12Å; A112-F152 HydrophobicContact CB-CZ 4.04Å; V133-F152 HydrophobicContact CG1-CE1 4.13Å; V133-F152 HydrophobicContact CG1-CZ 4.24Å; I137-F152 HydrophobicContact CD1-CD2 4.04Å; W148-F152 HydrophobicContact CE3-CB 3.69Å; W148-F152 HydrophobicContact CE3-CG 4.23Å; W148-F152 HydrophobicContact CZ3-CB 3.59Å; W148-F152 AromaticContact CZ3-CD1 3.83Å; W148-F152 HydrophobicContact CZ3-CD1 3.83Å; W148-F152 HydrophobicContact CZ3-CD2 4.36Å; W148-F152 AromaticContact CZ3-CG 3.67Å; W148-F152 HydrophobicContact CZ3-CG 3.67Å; D149-F152 PolarHBondContact O-N 3.25Å; F152-P154 HydrophobicContact CE1-CB 4.05Å; F152-T160 VanDerWaalsContact O-CA 3.28Å; F152-T160 WeakPolarHBondContact O-CA 3.3Å; F152-T160 WeakPolarHBondContact O-CB 3.48Å; F152-Y161 AromaticContact CD1-CD2 3.68Å; F152-Y161 HydrophobicContact CD1-CD2 3.68Å; F152-Y161 HydrophobicContact CD1-CE1 4.43Å; F152-Y161 AromaticContact CD1-CE2 3.53Å; F152-Y161 HydrophobicContact CD1-CE2 3.53Å; F152-Y161 HydrophobicContact CD1-CG 4.19Å; F152-Y161 AromaticContact CD1-CZ 3.94Å; F152-Y161 HydrophobicContact CE1-CD2 4.3Å; F152-Y161 HydrophobicContact CE1-CE1 4.37Å; F152-Y161 AromaticContact CE1-CE2 3.67Å; F152-Y161 HydrophobicContact CE1-CE2 3.67Å; F152-Y161 AromaticContact CE1-CZ 3.72Å; F152-Y161 PolarHBondContact O-N 3.03Å
153	Q	98.3	Very high	91.4	Very high	36 Å²	36	50.6 Å²	50.6	17%	0.168	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.3	173.3	178.9	175.5	-33.8	0	0	108.5	G135 T136 V138 H157	G135-Q153 CarbonylContact C-O 3.59Å; G135-Q153 WeakPolarHBondContact CA-O 3.47Å; T136-Q153 PolarHBondContact N-O 3.3Å; T136-Q153 PolarHBondContact O-N 3.45Å; V138-Q153 HydrophobicContact CG1-CB 3.99Å; V138-Q153 HydrophobicContact CG2-CB 4.01Å; Q153-H157 VanDerWaalsContact CG-O 3.27Å; Q153-H157 WeakPolarHBondContact CG-O 3.37Å; Q153-H157 PolarHBondContact NE2-O 3.02Å
154	P	98.3	Very high	91.9	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.7	178.1	29.6	-34.5	0	0	0	110.8	V133 F152 H157 L159 Y161 M164 I172	V133-P154 HydrophobicContact CG1-CB 3.7Å; F152-P154 HydrophobicContact CE1-CB 4.05Å; P154-H157 HydrophobicContact CG-CB 4.04Å; P154-H157 PolarHBondContact O-N 3.22Å; P154-L159 WeakPolarHBondContact CD-O 3.32Å; P154-Y161 HydrophobicContact CB-CE1 3.96Å; P154-Y161 HydrophobicContact CG-CD1 3.97Å; P154-Y161 HydrophobicContact CG-CE1 3.64Å; P154-M164 HydrophobicContact CG-CE 3.54Å; P154-I172 HydrophobicContact CB-CD1 4.26Å; P154-I172 HydrophobicContact CG-CD1 3.76Å
155	D	98.4	Very high	93	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	139.9	178.9	-70.8	-18.8	0	0	0	111	A134 G135 H157	A134-D155 WeakPolarHBondContact CB-OD2 3.31Å; A134-D155 PolarHBondContact O-N 3.17Å; G135-D155 VanDerWaalsContact CA-OD1 3.27Å; G135-D155 WeakPolarHBondContact CA-OD1 3.34Å; D155-H157 VanDerWaalsContact C-N 3.33Å; D155-H157 PolarHBondContact O-CD2 3.05Å
156	G	97.2	Very high	94.1	Very high	83 Å²	83	42.9 Å²	42.9	86%	0.856	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	1.6	-176.2	0	0	0	0	0	114.9
157	H	96.7	Very high	95.1	Very high	73 Å²	73	44.5 Å²	44.5	34%	0.338	26%	0.259	S	S	.	.			trans	-128.2	149.7	176.4	-58.9	-97.3	0	0	0	111.8	Q153 P154 D155 M164 I172	Q153-H157 VanDerWaalsContact CG-O 3.27Å; Q153-H157 WeakPolarHBondContact CG-O 3.37Å; Q153-H157 PolarHBondContact NE2-O 3.02Å; P154-H157 HydrophobicContact CG-CB 4.04Å; P154-H157 PolarHBondContact O-N 3.22Å; D155-H157 VanDerWaalsContact C-N 3.33Å; D155-H157 PolarHBondContact O-CD2 3.05Å; H157-M164 HydrophobicContact CB-CE 3.6Å; H157-I172 WeakPolarHBondContact NE2-CD1 3.43Å
158	E	97.2	Very high	95.5	Very high	156 Å²	156	48.5 Å²	48.5	73%	0.729	27%	0.273	S	S	*	.	S	Bend	trans	-91	-17.9	175.3	-62.7	-57.2	140.2	0	0	113.1	R141	R141-E158 PolarHBondContact NH2-O 3.28Å
159	L	97.4	Very high	95.3	Very high	71 Å²	71	48.5 Å²	48.5	37%	0.372	27%	0.273	S	S	.	.	S	Bend	trans	-91.5	144.5	-177.4	-60	-175.7	0	0	0	110.9	P154 E163 M164	P154-L159 WeakPolarHBondContact CD-O 3.32Å; L159-E163 HydrophobicContact CB-CB 3.95Å; L159-E163 HydrophobicContact CD2-CB 4.13Å; L159-E163 HydrophobicContact CG-CB 4.45Å; L159-M164 HydrophobicContact CB-CE 4.17Å; L159-M164 HydrophobicContact CB-CG 4.01Å; L159-M164 HydrophobicContact CD1-CG 4.4Å
160	T	97.6	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.			trans	-72	162.5	164	73.8	0	0	0	0	110.2	V138 R141 A150 F152 A162 E163 M164	V138-T160 HydrophobicContact CG2-CG2 3.62Å; R141-T160 HydrophobicContact CB-CG2 4.05Å; R141-T160 PolarHBondContact O-OG1 3.13Å; A150-T160 WeakPolarHBondContact O-CG2 3.48Å; F152-T160 VanDerWaalsContact O-CA 3.28Å; F152-T160 WeakPolarHBondContact O-CA 3.3Å; F152-T160 WeakPolarHBondContact O-CB 3.48Å; T160-A162 PolarHBondContact O-N 3.12Å; T160-A162 VanDerWaalsContact O-N 3.13Å; T160-A162 PolarHBondContact OG1-N 2.99Å; T160-E163 PolarHBondContact N-OE2 3.16Å; T160-E163 PolarHBondContact O-N 3.35Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 2.98Å; T160-M164 WeakPolarHBondContact O-CG 3.48Å; T160-M164 PolarHBondContact O-N 3.31Å
161	Y	95.6	Very high	94.5	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.012	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.9	173.3	-82	-13.9	0	0	0	113.5	V133 W148 D149 F152 P154 E163 M164 K169 I172 H174	V133-Y161 WeakPolarHBondContact CG1-OH 3.28Å; W148-Y161 HydrophobicContact CH2-CD2 4.32Å; W148-Y161 HydrophobicContact CH2-CE2 4.17Å; W148-Y161 AromaticContact CZ3-CD2 3.98Å; W148-Y161 HydrophobicContact CZ3-CD2 3.98Å; W148-Y161 HydrophobicContact CZ3-CE2 4.16Å; D149-Y161 PolarHBondContact O-N 3.22Å; F152-Y161 AromaticContact CD1-CD2 3.68Å; F152-Y161 HydrophobicContact CD1-CD2 3.68Å; F152-Y161 HydrophobicContact CD1-CE1 4.43Å; F152-Y161 AromaticContact CD1-CE2 3.53Å; F152-Y161 HydrophobicContact CD1-CE2 3.53Å; F152-Y161 HydrophobicContact CD1-CG 4.19Å; F152-Y161 AromaticContact CD1-CZ 3.94Å; F152-Y161 HydrophobicContact CE1-CD2 4.3Å; F152-Y161 HydrophobicContact CE1-CE1 4.37Å; F152-Y161 AromaticContact CE1-CE2 3.67Å; F152-Y161 HydrophobicContact CE1-CE2 3.67Å; F152-Y161 AromaticContact CE1-CZ 3.72Å; F152-Y161 PolarHBondContact O-N 3.03Å; P154-Y161 HydrophobicContact CB-CE1 3.96Å; P154-Y161 HydrophobicContact CG-CD1 3.97Å; P154-Y161 HydrophobicContact CG-CE1 3.64Å; Y161-E163 VanDerWaalsContact C-N 3.33Å; Y161-M164 HydrophobicContact CD1-SD 3.87Å; Y161-M164 HydrophobicContact CE1-SD 4.42Å; Y161-K169 HydrophobicContact CD1-CG 4.17Å; Y161-K169 HydrophobicContact CE1-CG 4.47Å; Y161-K169 HydrophobicContact CG-CD 4.31Å; Y161-K169 HydrophobicContact CG-CG 4.36Å; Y161-I172 HydrophobicContact CE1-CD1 4.01Å; Y161-I172 HydrophobicContact CE1-CG1 4.22Å; Y161-H174 AromaticContact CE2-CE1 3.91Å; Y161-H174 AromaticContact CE2-ND1 3.72Å
162	A	95.6	Very high	94.3	Very high	19 Å²	19	57.8 Å²	57.8	16%	0.157	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.6	178.1	0	0	0	0	0	113.6	D149 A150 T160	D149-A162 HydrophobicContact CB-CB 3.91Å; D149-A162 PolarHBondContact O-N 3.47Å; A150-A162 HydrophobicContact CB-CB 3.94Å; T160-A162 PolarHBondContact O-N 3.12Å; T160-A162 VanDerWaalsContact O-N 3.13Å; T160-A162 PolarHBondContact OG1-N 2.99Å
163	E	96	Very high	94	Very high	72 Å²	72	58 Å²	58	34%	0.336	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-21.4	173	-68.5	178	123.2	0	0	112.2	R141 L159 T160 Y161	R141-E163 HydrophobicContact CB-CG 4.02Å; R141-E163 VanDerWaalsContact CB-OE1 3.3Å; R141-E163 WeakPolarHBondContact CB-OE1 3.29Å; R141-E163 IonicContact CZ-OE2 3.66Å; R141-E163 IonicContact NE-OE1 2.92Å; R141-E163 IonicContact NE-OE2 2.75Å; R141-E163 PolarHBondContact NE-OE2 3.49Å; R141-E163 IonicContact NH2-OE2 3.63Å; L159-E163 HydrophobicContact CB-CB 3.95Å; L159-E163 HydrophobicContact CD2-CB 4.13Å; L159-E163 HydrophobicContact CG-CB 4.45Å; T160-E163 PolarHBondContact N-OE2 3.16Å; T160-E163 PolarHBondContact O-N 3.35Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 2.98Å; Y161-E163 VanDerWaalsContact C-N 3.33Å
164	M	94.3	Very high	93.9	Very high	19 Å²	19	56.6 Å²	56.6	9%	0.094	31%	0.314	C	S	.	.	S	Bend	trans	-73.4	148.1	176.5	-66.6	178.1	-179.2	0	0	111.8	P154 H157 L159 T160 Y161 E168 K169 I172	P154-M164 HydrophobicContact CG-CE 3.54Å; H157-M164 HydrophobicContact CB-CE 3.6Å; L159-M164 HydrophobicContact CB-CE 4.17Å; L159-M164 HydrophobicContact CB-CG 4.01Å; L159-M164 HydrophobicContact CD1-CG 4.4Å; T160-M164 WeakPolarHBondContact O-CG 3.48Å; T160-M164 PolarHBondContact O-N 3.31Å; Y161-M164 HydrophobicContact CD1-SD 3.87Å; Y161-M164 HydrophobicContact CE1-SD 4.42Å; M164-E168 HydrophobicContact CB-CB 4.25Å; M164-K169 HydrophobicContact CB-CB 4.34Å; M164-I172 HydrophobicContact CE-CD1 3.74Å; M164-I172 HydrophobicContact SD-CD1 3.73Å
165	S	91.7	Very high	93.6	Very high	56 Å²	56	57.4 Å²	57.4	39%	0.392	32%	0.317	S	S	.	.			trans	-64.4	157.3	163.8	66.9	0	0	0	0	110.8	E167 E168 K169	S165-E167 PolarHBondContact O-N 3.05Å; S165-E168 VanDerWaalsContact CB-OE2 3.31Å; S165-E168 WeakPolarHBondContact CB-OE2 3.07Å; S165-E168 PolarHBondContact N-OE2 3.13Å; S165-E168 PolarHBondContact O-N 2.94Å; S165-E168 WeakPolarHBondContact OG-CB 3.24Å; S165-E168 VanDerWaalsContact OG-CD 3.26Å; S165-E168 VanDerWaalsContact OG-CG 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.19Å; S165-E168 PolarHBondContact OG-N 2.89Å; S165-E168 PolarHBondContact OG-OE2 2.88Å; S165-K169 PolarHBondContact O-N 2.94Å
166	S	86.8	Confident	93.2	Very high	76 Å²	76	53.9 Å²	53.9	53%	0.531	30%	0.301	S	S	.	.	H	α-helix	trans	-56.7	-36	176.4	-56.8	0	0	0	0	112.5	R170	S166-R170 VanDerWaalsContact O-CB 3.31Å; S166-R170 WeakPolarHBondContact O-CB 3.42Å; S166-R170 PolarHBondContact O-N 3.19Å
167	E	88.9	Confident	93	Very high	113 Å²	113	53 Å²	53	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-48.9	178.4	-174.4	61.7	-169.1	0	0	111.6	S165 K169 R170 T171	S165-E167 PolarHBondContact O-N 3.05Å; E167-K169 PolarHBondContact O-N 2.8Å; E167-R170 WeakPolarHBondContact O-CB 2.98Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 VanDerWaalsContact O-N 3.13Å; E167-R170 IonicContact OE2-CZ 3.58Å; E167-R170 IonicContact OE2-NH1 2.71Å; E167-R170 PolarHBondContact OE2-NH1 3.22Å; E167-T171 WeakPolarHBondContact O-CG2 3.36Å; E167-T171 PolarHBondContact O-N 3.5Å
168	E	91.2	Very high	92.8	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-48.3	176.3	-71.6	164.1	134.3	0	0	111.1	M164 S165 R170 T171	M164-E168 HydrophobicContact CB-CB 4.25Å; S165-E168 VanDerWaalsContact CB-OE2 3.31Å; S165-E168 WeakPolarHBondContact CB-OE2 3.07Å; S165-E168 PolarHBondContact N-OE2 3.13Å; S165-E168 PolarHBondContact O-N 2.94Å; S165-E168 WeakPolarHBondContact OG-CB 3.24Å; S165-E168 VanDerWaalsContact OG-CD 3.26Å; S165-E168 VanDerWaalsContact OG-CG 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.19Å; S165-E168 PolarHBondContact OG-N 2.89Å; S165-E168 PolarHBondContact OG-OE2 2.88Å; E168-R170 VanDerWaalsContact C-N 3.27Å; E168-R170 PolarHBondContact O-N 2.68Å; E168-T171 PolarHBondContact O-N 3.39Å; E168-T171 VanDerWaalsContact O-N 3.11Å; E168-T171 PolarHBondContact O-OG1 2.89Å
169	K	91.7	Very high	92.5	Very high	17 Å²	17	43.6 Å²	43.6	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-40.9	176.8	-174.3	-176.9	180	-172.6	0	111.2	F18 D149 Y161 M164 S165 E167 T171 I172 S173	F18-K169 HydrophobicContact CE2-CD 4.26Å; F18-K169 HydrophobicContact CZ-CD 4.2Å; D149-K169 IonicContact OD1-NZ 3.76Å; D149-K169 PolarHBondContact OD1-NZ 3.5Å; D149-K169 IonicContact OD2-NZ 2.82Å; D149-K169 PolarHBondContact OD2-NZ 3.14Å; Y161-K169 HydrophobicContact CD1-CG 4.17Å; Y161-K169 HydrophobicContact CE1-CG 4.47Å; Y161-K169 HydrophobicContact CG-CD 4.31Å; Y161-K169 HydrophobicContact CG-CG 4.36Å; M164-K169 HydrophobicContact CB-CB 4.34Å; S165-K169 PolarHBondContact O-N 2.94Å; E167-K169 PolarHBondContact O-N 2.8Å; K169-T171 PolarHBondContact O-N 2.98Å; K169-I172 PolarHBondContact O-N 2.93Å; K169-S173 WeakPolarHBondContact O-CB 3.26Å; K169-S173 PolarHBondContact O-N 3.06Å; K169-S173 PolarHBondContact O-OG 3.38Å
170	R	86.4	Confident	92	Very high	86 Å²	86	45.9 Å²	45.9	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-34.7	179.4	-167.9	-173.4	-70	140.1	-2.3	111.6	F18 E21 S166 E167 E168 I172 A176	F18-R170 HydrophobicContact CE1-CB 4.45Å; E21-R170 IonicContact OE1-CZ 3.48Å; E21-R170 IonicContact OE1-NE 2.81Å; E21-R170 IonicContact OE1-NH2 2.74Å; E21-R170 PolarHBondContact OE1-NH2 2.67Å; E21-R170 IonicContact OE2-CZ 3.54Å; E21-R170 IonicContact OE2-NE 3.97Å; E21-R170 PolarHBondContact OE2-NE 2.86Å; E21-R170 IonicContact OE2-NH2 2.78Å; E21-R170 PolarHBondContact OE2-NH2 2.95Å; E21-R170 VanDerWaalsContact OE2-NH2 3.17Å; S166-R170 VanDerWaalsContact O-CB 3.31Å; S166-R170 WeakPolarHBondContact O-CB 3.42Å; S166-R170 PolarHBondContact O-N 3.19Å; E167-R170 WeakPolarHBondContact O-CB 2.98Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 VanDerWaalsContact O-N 3.13Å; E167-R170 IonicContact OE2-CZ 3.58Å; E167-R170 IonicContact OE2-NH1 2.71Å; E167-R170 PolarHBondContact OE2-NH1 3.22Å; E168-R170 VanDerWaalsContact C-N 3.27Å; E168-R170 PolarHBondContact O-N 2.68Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 3.24Å; R170-A176 WeakPolarHBondContact O-CB 3.21Å
171	T	90.1	Very high	91.8	Very high	102 Å²	102	50.5 Å²	50.5	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-67.5	-29.9	180	65.7	0	0	0	0	114.5	E167 E168 K169	E167-T171 WeakPolarHBondContact O-CG2 3.36Å; E167-T171 PolarHBondContact O-N 3.5Å; E168-T171 PolarHBondContact O-N 3.39Å; E168-T171 VanDerWaalsContact O-N 3.11Å; E168-T171 PolarHBondContact O-OG1 2.89Å; K169-T171 PolarHBondContact O-N 2.98Å
172	I	92.7	Very high	91.6	Very high	34 Å²	34	50.5 Å²	50.5	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-116	-17.2	-171.6	64.4	172.6	0	0	0	114.2	V133 P154 H157 Y161 M164 K169 R170 Q177	V133-I172 WeakPolarHBondContact CG2-O 3.49Å; P154-I172 HydrophobicContact CB-CD1 4.26Å; P154-I172 HydrophobicContact CG-CD1 3.76Å; H157-I172 WeakPolarHBondContact NE2-CD1 3.43Å; Y161-I172 HydrophobicContact CE1-CD1 4.01Å; Y161-I172 HydrophobicContact CE1-CG1 4.22Å; M164-I172 HydrophobicContact CE-CD1 3.74Å; M164-I172 HydrophobicContact SD-CD1 3.73Å; K169-I172 PolarHBondContact O-N 2.93Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 3.24Å; I172-Q177 PolarHBondContact O-NE2 2.95Å
173	S	92.8	Very high	91.1	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.035	26%	0.262	C	S	.	.			trans	-63.1	147.3	-166.5	69.3	0	0	0	0	113.6	K169 R175 A176 Q177	K169-S173 WeakPolarHBondContact O-CB 3.26Å; K169-S173 PolarHBondContact O-N 3.06Å; K169-S173 PolarHBondContact O-OG 3.38Å; S173-R175 PolarHBondContact O-N 2.92Å; S173-A176 PolarHBondContact O-N 3.41Å; S173-A176 VanDerWaalsContact OG-CB 3.29Å; S173-A176 WeakPolarHBondContact OG-CB 3.3Å; S173-A176 PolarHBondContact OG-N 3.3Å; S173-A176 VanDerWaalsContact OG-N 3.13Å; S173-Q177 WeakPolarHBondContact O-CG 3.11Å; S173-Q177 PolarHBondContact O-N 2.89Å
174	H	94.8	Very high	90.8	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.023	27%	0.269	C	S	.	.	H	α-helix	trans	-51.7	-38.9	172.6	56.4	-70.2	0	0	0	112.3	A112 C114 G131 V133 W148 Y161 A178	A112-H174 HydrophobicContact CB-CB 4.02Å; A112-H174 WeakPolarHBondContact CB-ND1 3.36Å; A112-H174 WeakPolarHBondContact O-CB 3.13Å; C114-H174 HydrophobicContact CB-CB 4.49Å; G131-H174 CarbonylContact C-O 3.33Å; G131-H174 VanDerWaalsContact CA-O 3.29Å; G131-H174 WeakPolarHBondContact CA-O 3.28Å; V133-H174 HydrophobicContact CB-CB 4.31Å; V133-H174 HydrophobicContact CG2-CB 3.95Å; V133-H174 VanDerWaalsContact CG2-N 3.28Å; W148-H174 AromaticContact CH2-CE1 3.54Å; W148-H174 AromaticContact CH2-NE2 3.96Å; W148-H174 AromaticContact CZ2-CE1 3.88Å; W148-H174 AromaticContact CZ2-NE2 3.86Å; Y161-H174 AromaticContact CE2-CE1 3.91Å; Y161-H174 AromaticContact CE2-ND1 3.72Å; H174-A178 WeakPolarHBondContact O-CB 3.24Å; H174-A178 PolarHBondContact O-N 3.39Å
175	R	92.7	Very high	90.6	Very high	18 Å²	18	53.7 Å²	53.7	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-47.4	174.1	-177.9	177.6	-65.8	139.5	-9.6	112.7	Q13 D16 E69 C114 S173 Q177 A178 L179	Q13-R175 VanDerWaalsContact CD-NH2 3.3Å; D16-R175 IonicContact OD1-NH1 2.91Å; D16-R175 IonicContact OD2-CZ 3.36Å; D16-R175 IonicContact OD2-NH1 3.6Å; D16-R175 PolarHBondContact OD2-NH1 3.01Å; D16-R175 IonicContact OD2-NH2 3.84Å; E69-R175 IonicContact OE1-CZ 2.6Å; E69-R175 VanDerWaalsContact OE1-CZ 3.23Å; E69-R175 IonicContact OE1-NE 2.94Å; E69-R175 PolarHBondContact OE1-NE 3.09Å; E69-R175 IonicContact OE1-NH2 3.02Å; E69-R175 PolarHBondContact OE1-NH2 2.81Å; E69-R175 IonicContact OE2-NE 3.74Å; C114-R175 HydrophobicContact CB-CB 4.27Å; S173-R175 PolarHBondContact O-N 2.92Å; R175-Q177 VanDerWaalsContact C-N 3.31Å; R175-Q177 PolarHBondContact O-N 3.01Å; R175-A178 WeakPolarHBondContact O-CB 3.5Å; R175-A178 PolarHBondContact O-N 2.96Å; R175-A178 VanDerWaalsContact O-N 3.12Å; R175-L179 WeakPolarHBondContact O-CB 3.24Å; R175-L179 PolarHBondContact O-N 3.16Å
176	A	89.4	Confident	90.3	Very high	23 Å²	23	51.5 Å²	51.5	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-41.3	178.6	0	0	0	0	0	111.9	R170 S173 A178 L179 Q180	R170-A176 WeakPolarHBondContact O-CB 3.21Å; S173-A176 PolarHBondContact O-N 3.41Å; S173-A176 VanDerWaalsContact OG-CB 3.29Å; S173-A176 WeakPolarHBondContact OG-CB 3.3Å; S173-A176 PolarHBondContact OG-N 3.3Å; S173-A176 VanDerWaalsContact OG-N 3.13Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 2.96Å; A176-L179 PolarHBondContact O-N 2.85Å; A176-Q180 WeakPolarHBondContact O-CB 3.44Å; A176-Q180 PolarHBondContact O-N 3.03Å
177	Q	93.6	Very high	90	Very high	64 Å²	64	52.8 Å²	52.8	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-42.5	172.7	-68	-176.8	21.2	0	0	112.4	K132 I172 S173 R175 K181	K132-Q177 PolarHBondContact O-OE1 3.15Å; I172-Q177 PolarHBondContact O-NE2 2.95Å; S173-Q177 WeakPolarHBondContact O-CG 3.11Å; S173-Q177 PolarHBondContact O-N 2.89Å; R175-Q177 VanDerWaalsContact C-N 3.31Å; R175-Q177 PolarHBondContact O-N 3.01Å; Q177-K181 WeakPolarHBondContact O-CG 3.5Å; Q177-K181 PolarHBondContact O-N 3.11Å
178	A	93.2	Very high	89.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-41.3	177.8	0	0	0	0	0	111.2	C114 Y116 H174 R175 A176 K181 L182	C114-A178 HydrophobicContact CB-CB 3.9Å; Y116-A178 HydrophobicContact CD2-CB 3.63Å; Y116-A178 HydrophobicContact CE2-CB 3.78Å; H174-A178 WeakPolarHBondContact O-CB 3.24Å; H174-A178 PolarHBondContact O-N 3.39Å; R175-A178 WeakPolarHBondContact O-CB 3.5Å; R175-A178 PolarHBondContact O-N 2.96Å; R175-A178 VanDerWaalsContact O-N 3.12Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 2.96Å; A178-K181 PolarHBondContact O-N 3.41Å; A178-L182 WeakPolarHBondContact O-CB 3.1Å; A178-L182 PolarHBondContact O-N 3.14Å
179	L	89.3	Confident	89.5	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-39.4	-179.5	-176.3	61	0	0	0	112	M22 Y116 R175 A176 L182 S183	M22-L179 HydrophobicContact CG-CD1 4.34Å; Y116-L179 HydrophobicContact CE2-CB 3.96Å; Y116-L179 HydrophobicContact CE2-CD1 4.33Å; R175-L179 WeakPolarHBondContact O-CB 3.24Å; R175-L179 PolarHBondContact O-N 3.16Å; A176-L179 PolarHBondContact O-N 2.85Å; L179-L182 HydrophobicContact CD1-CD2 4.3Å; L179-L182 PolarHBondContact O-N 3.29Å; L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-N 3Å; L179-S183 PolarHBondContact O-OG 2.89Å
180	Q	88.7	Confident	88.9	Confident	120 Å²	120	54.7 Å²	54.7	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-59.2	-50.5	173.3	-178.4	-175.9	-8	0	0	110.7	A176 L182 S183 E184	A176-Q180 WeakPolarHBondContact O-CB 3.44Å; A176-Q180 PolarHBondContact O-N 3.03Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.14Å; Q180-S183 WeakPolarHBondContact O-CB 3.48Å; Q180-S183 PolarHBondContact O-N 2.85Å; Q180-E184 PolarHBondContact NE2-OE1 2.81Å; Q180-E184 VanDerWaalsContact NE2-OE1 3.17Å; Q180-E184 WeakPolarHBondContact O-CG 3.47Å; Q180-E184 PolarHBondContact O-N 3.22Å
181	K	93.3	Very high	88.2	Confident	97 Å²	97	54.9 Å²	54.9	42%	0.422	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-37	177.5	-68.6	174.2	-171.7	179.7	0	112.1	I129 Q130 Q177 A178 S183 E184 F185	I129-K181 HydrophobicContact CG2-CB 3.42Å; I129-K181 VanDerWaalsContact CG2-CB 3.42Å; Q130-K181 VanDerWaalsContact O-CD 3.25Å; Q130-K181 WeakPolarHBondContact O-CD 3.27Å; Q130-K181 PolarHBondContact O-NZ 3.34Å; Q177-K181 WeakPolarHBondContact O-CG 3.5Å; Q177-K181 PolarHBondContact O-N 3.11Å; A178-K181 PolarHBondContact O-N 3.41Å; K181-S183 VanDerWaalsContact C-N 3.35Å; K181-E184 PolarHBondContact O-N 3.46Å; K181-F185 VanDerWaalsContact O-CB 3.26Å; K181-F185 WeakPolarHBondContact O-CB 3.27Å; K181-F185 PolarHBondContact O-N 2.95Å
182	L	90.3	Very high	87	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-43	176.2	177	65.7	0	0	0	110.5	I67 Y116 I129 A178 L179 Q180 F185 L186	I67-L182 HydrophobicContact CD1-CD2 4.19Å; I67-L182 HydrophobicContact CG2-CD2 4.17Å; Y116-L182 HydrophobicContact CD1-CD2 4.06Å; Y116-L182 HydrophobicContact CD2-CB 4.35Å; Y116-L182 HydrophobicContact CD2-CD2 4.01Å; Y116-L182 HydrophobicContact CE1-CD2 4.48Å; Y116-L182 HydrophobicContact CE2-CD2 4.46Å; Y116-L182 HydrophobicContact CG-CD2 3.79Å; I129-L182 HydrophobicContact CD1-CD1 3.99Å; I129-L182 HydrophobicContact CG1-CD1 4.41Å; I129-L182 HydrophobicContact CG2-CB 4.28Å; A178-L182 WeakPolarHBondContact O-CB 3.1Å; A178-L182 PolarHBondContact O-N 3.14Å; L179-L182 HydrophobicContact CD1-CD2 4.3Å; L179-L182 PolarHBondContact O-N 3.29Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.14Å; L182-F185 PolarHBondContact O-N 2.92Å; L182-L186 HydrophobicContact CD1-CD1 4.06Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.4Å; L182-L186 WeakPolarHBondContact O-CB 3.2Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.1Å; L182-L186 PolarHBondContact O-N 2.97Å
183	S	85.7	Confident	85.5	Confident	27 Å²	27	61.7 Å²	61.7	19%	0.189	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-45.1	177.1	-59.2	0	0	0	0	111.6	L179 Q180 K181 R187	L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-N 3Å; L179-S183 PolarHBondContact O-OG 2.89Å; Q180-S183 WeakPolarHBondContact O-CB 3.48Å; Q180-S183 PolarHBondContact O-N 2.85Å; K181-S183 VanDerWaalsContact C-N 3.35Å; S183-R187 WeakPolarHBondContact O-CB 3.42Å; S183-R187 PolarHBondContact O-N 3.26Å
184	E	88.5	Confident	85.2	Confident	103 Å²	103	64.5 Å²	64.5	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.9	-70.8	169.6	-170	0	0	111.8	Q180 K181 R187 L188	Q180-E184 PolarHBondContact NE2-OE1 2.81Å; Q180-E184 VanDerWaalsContact NE2-OE1 3.17Å; Q180-E184 WeakPolarHBondContact O-CG 3.47Å; Q180-E184 PolarHBondContact O-N 3.22Å; K181-E184 PolarHBondContact O-N 3.46Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 2.58Å; E184-L188 WeakPolarHBondContact O-CG 3.5Å; E184-L188 PolarHBondContact O-N 2.82Å; E184-L188 VanDerWaalsContact O-N 3.14Å
185	F	90.1	Very high	84.7	Confident	47 Å²	47	67.6 Å²	67.6	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-48.6	177.6	173.4	-98.2	0	0	0	112.2	Y118 H127 I129 K181 L182 R187 L188 L189	Y118-F185 AromaticContact CD1-CE1 3.53Å; Y118-F185 HydrophobicContact CD1-CE1 3.53Å; Y118-F185 HydrophobicContact CD1-CZ 4.24Å; Y118-F185 HydrophobicContact CE1-CE1 4.04Å; Y118-F185 HydrophobicContact CG-CE1 4.27Å; H127-F185 HydrophobicContact CB-CE1 4.11Å; H127-F185 HydrophobicContact CB-CE2 4.33Å; H127-F185 HydrophobicContact CB-CZ 3.68Å; H127-F185 AromaticContact CD2-CZ 3.82Å; H127-F185 AromaticContact CG-CZ 3.39Å; H127-F185 AromaticContact ND1-CE2 3.81Å; H127-F185 AromaticContact ND1-CZ 3.54Å; I129-F185 HydrophobicContact CD1-CD1 4.19Å; I129-F185 HydrophobicContact CD1-CE1 4.42Å; I129-F185 HydrophobicContact CG1-CG 4.41Å; K181-F185 VanDerWaalsContact O-CB 3.26Å; K181-F185 WeakPolarHBondContact O-CB 3.27Å; K181-F185 PolarHBondContact O-N 2.95Å; L182-F185 PolarHBondContact O-N 2.92Å; F185-R187 VanDerWaalsContact C-N 3.3Å; F185-R187 PolarHBondContact O-N 3.34Å; F185-L188 PolarHBondContact O-N 3.43Å; F185-L189 HydrophobicContact CD1-CD1 3.98Å; F185-L189 HydrophobicContact CE1-CD1 3.23Å; F185-L189 HydrophobicContact CE1-CG 4.09Å; F185-L189 HydrophobicContact CE2-CD1 4.26Å; F185-L189 HydrophobicContact CE2-CG 4.39Å; F185-L189 HydrophobicContact CZ-CD1 3.4Å; F185-L189 HydrophobicContact CZ-CD2 4.4Å; F185-L189 HydrophobicContact CZ-CG 3.99Å; F185-L189 PolarHBondContact O-N 2.9Å; F185-L189 VanDerWaalsContact O-N 3.08Å
186	L	85.4	Confident	84.2	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-34.6	178.4	-68.4	173.1	0	0	0	111.8	L6 L32 I67 Y118 L182 L188 L189 Y190	L6-L186 HydrophobicContact CD1-CD1 4.22Å; L32-L186 HydrophobicContact CD1-CB 3.87Å; L32-L186 HydrophobicContact CD1-CD1 3.97Å; L32-L186 HydrophobicContact CD1-CG 4.45Å; I67-L186 HydrophobicContact CD1-CD1 4.31Å; Y118-L186 HydrophobicContact CD2-CD2 4.28Å; Y118-L186 HydrophobicContact CE1-CD2 4.29Å; Y118-L186 HydrophobicContact CE2-CD2 4.02Å; L182-L186 HydrophobicContact CD1-CD1 4.06Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.4Å; L182-L186 WeakPolarHBondContact O-CB 3.2Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.1Å; L182-L186 PolarHBondContact O-N 2.97Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.82Å; L186-L189 PolarHBondContact O-N 2.65Å; L186-Y190 HydrophobicContact CD2-CE2 4.3Å; L186-Y190 WeakPolarHBondContact O-CD2 3.18Å; L186-Y190 PolarHBondContact O-N 2.63Å
187	R	81.1	Confident	83.9	Confident	103 Å²	103	73.2 Å²	73.2	39%	0.389	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-37.7	173.9	-171.5	-176.2	-174.9	-175.2	4.1	112.7	V27 N28 I30 S183 E184 F185 Y190 P191	V27-R187 HydrophobicContact CG1-CB 3.94Å; V27-R187 HydrophobicContact CG1-CG 4.25Å; N28-R187 PolarHBondContact ND2-NH1 2.82Å; I30-R187 HydrophobicContact CD1-CG 4.18Å; S183-R187 WeakPolarHBondContact O-CB 3.42Å; S183-R187 PolarHBondContact O-N 3.26Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 2.58Å; F185-R187 VanDerWaalsContact C-N 3.3Å; F185-R187 PolarHBondContact O-N 3.34Å; R187-Y190 CarbonylContact O-C 3.54Å; R187-P191 WeakPolarHBondContact O-CA 3.49Å
188	L	86.4	Confident	83.3	Confident	147 Å²	147	73.8 Å²	73.8	77%	0.77	37%	0.374	S	S	*	.	H	α-helix	trans	-73.5	-32.6	177.4	-69.6	172.8	0	0	0	112.1	E184 F185 L186	E184-L188 WeakPolarHBondContact O-CG 3.5Å; E184-L188 PolarHBondContact O-N 2.82Å; E184-L188 VanDerWaalsContact O-N 3.14Å; F185-L188 PolarHBondContact O-N 3.43Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.82Å
189	L	83.8	Confident	82.7	Confident	78 Å²	78	78.7 Å²	78.7	41%	0.408	40%	0.399	S	S	.	.	H	α-helix	trans	-72.7	-37.8	175.1	-73.9	-176.4	0	0	0	112.9	Y118 F185 L186 P191	Y118-L189 HydrophobicContact CD1-CD1 4.3Å; Y118-L189 HydrophobicContact CE1-CD1 3.65Å; F185-L189 HydrophobicContact CD1-CD1 3.98Å; F185-L189 HydrophobicContact CE1-CD1 3.23Å; F185-L189 HydrophobicContact CE1-CG 4.09Å; F185-L189 HydrophobicContact CE2-CD1 4.26Å; F185-L189 HydrophobicContact CE2-CG 4.39Å; F185-L189 HydrophobicContact CZ-CD1 3.4Å; F185-L189 HydrophobicContact CZ-CD2 4.4Å; F185-L189 HydrophobicContact CZ-CG 3.99Å; F185-L189 PolarHBondContact O-N 2.9Å; F185-L189 VanDerWaalsContact O-N 3.08Å; L186-L189 PolarHBondContact O-N 2.65Å; L189-P191 WeakPolarHBondContact O-CD 3.5Å
190	Y	79.6	Confident	82.2	Confident	44 Å²	44	82 Å²	82	17%	0.173	42%	0.415	C	S	.	.	S	Bend	trans	-122.3	70.4	-179.3	-55	-74.2	0	0	0	109.3	Y4 I30 Y118 D120 L186 R187	Y4-Y190 HydrophobicContact CD2-CD1 4.39Å; Y4-Y190 HydrophobicContact CD2-CE1 4.32Å; I30-Y190 WeakPolarHBondContact CD1-O 3.44Å; Y118-Y190 PolarHBondContact OH-OH 3.14Å; D120-Y190 PolarHBondContact OD1-OH 2.96Å; L186-Y190 HydrophobicContact CD2-CE2 4.3Å; L186-Y190 WeakPolarHBondContact O-CD2 3.18Å; L186-Y190 PolarHBondContact O-N 2.63Å; R187-Y190 CarbonylContact O-C 3.54Å
191	P	70.9	Confident	81.7	Confident	91 Å²	91	79.1 Å²	79.1	59%	0.591	40%	0.404	S	S	*	.			trans	-59.1	144.1	-179.5	25.8	-34	0	0	0	110.4	R187 L189 D193	R187-P191 WeakPolarHBondContact O-CA 3.49Å; L189-P191 WeakPolarHBondContact O-CD 3.5Å; P191-D193 PolarHBondContact O-N 3.04Å
192	P	64.8	Low	80.7	Confident	59 Å²	59	77.6 Å²	77.6	38%	0.383	40%	0.402	S	S	.	.			trans	-64.2	138.3	172.9	27.8	-28.5	0	0	0	108.9	I30	I30-P192 HydrophobicContact CD1-CB 4.32Å; I30-P192 HydrophobicContact CD1-CG 4.44Å; I30-P192 HydrophobicContact CG1-CB 3.95Å
193	D	62	Low	79.8	Confident	219 Å²	219	84.5 Å²	84.5	100%	1.171	44%	0.438	S	S	*	.			trans	-53.2	0	168.3	-66.6	-42.7	0	0	0	111.4	P191	P191-D193 PolarHBondContact O-N 3.04Å

Retrieved 193 of 193 residues in 117.9 ms (Link to these results)

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