A0A077ZBH9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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	33.4	Very low	25.5	Very low	251 Å²	251	161.9 Å²	161.9	100%	1.236	85%	0.854	S	S	*	*				0	105.1	0	-81.2	-178.9	-173.4	0	0	107.4
2	E	23.4	Very low	25.8	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	83%	0.828	S	S	*	*			trans	-82.4	135.1	172.8	-67.8	172.6	137.9	0	0	109.6
3	Y	24.7	Very low	25.9	Very low	240 Å²	240	151.1 Å²	151.1	94%	0.941	82%	0.815	S	S	*	*			trans	-142.9	119.1	150.5	-98.4	-85.8	0	0	0	108.3
4	C	21.1	Very low	26.2	Very low	112 Å²	112	149.2 Å²	149.2	76%	0.757	80%	0.799	S	S	*	*			trans	-45.8	141.8	-176.1	-52.5	0	0	0	0	114.4
5	S	22.7	Very low	26.3	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	76%	0.764	S	S	*	*			cis	71.6	71.8	48.4	85.6	0	0	0	0	115.6
6	T	25.7	Very low	26.3	Very low	151 Å²	151	137.8 Å²	137.8	93%	0.926	74%	0.743	S	S	*	*	S	Bend	trans	-179.9	105.8	132.4	17.1	0	0	0	0	109
7	G	24.2	Very low	26.6	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	72%	0.721	S	S	*	*			trans	85	47.1	164.2	0	0	0	0	0	117.9	R9	G7-R9 PolarHBondContact O-N 3.17Å
8	N	23.6	Very low	26.7	Very low	165 Å²	165	130.3 Å²	130.3	88%	0.882	70%	0.702	S	S	*	*			trans	-53.7	93.2	172.4	-88.1	-18.4	0	0	0	113.3
9	R	27	Very low	26.6	Very low	226 Å²	226	125.2 Å²	125.2	85%	0.853	68%	0.68	S	S	*	*			trans	-103.4	100.2	141.9	-84.8	-174	178.1	174.5	0.8	107	G7 W11	G7-R9 PolarHBondContact O-N 3.17Å; R9-W11 PolarHBondContact O-N 3.41Å; R9-W11 VanDerWaalsContact O-N 3.08Å
10	A	24.8	Very low	26.6	Very low	87 Å²	87	121.9 Å²	121.9	72%	0.719	66%	0.661	S	S	*	*			trans	-46.3	120.4	156.1	0	0	0	0	0	106.6	T12	A10-T12 VanDerWaalsContact C-N 3.31Å; A10-T12 PolarHBondContact O-N 3.38Å
11	W	29.7	Very low	26.8	Very low	189 Å²	189	118 Å²	118	72%	0.716	64%	0.641	S	S	*	*			trans	-62.1	101.9	177.8	-75.6	52.8	0	0	0	106.4	R9 A15 I16	R9-W11 PolarHBondContact O-N 3.41Å; R9-W11 VanDerWaalsContact O-N 3.08Å; W11-A15 HydrophobicContact CE3-CB 4.25Å; W11-I16 HydrophobicContact CB-CG1 4.39Å; W11-I16 HydrophobicContact CE3-CG1 4.21Å
12	T	29.5	Very low	26.5	Very low	88 Å²	88	112.2 Å²	112.2	54%	0.54	61%	0.612	S	S	.	*			trans	-59.1	147.9	172.8	47.8	0	0	0	0	107.6	A10 Q14 A15 I16	A10-T12 VanDerWaalsContact C-N 3.31Å; A10-T12 PolarHBondContact O-N 3.38Å; T12-Q14 PolarHBondContact O-N 3.26Å; T12-A15 WeakPolarHBondContact O-CB 3.4Å; T12-A15 PolarHBondContact O-N 3.23Å; T12-I16 PolarHBondContact O-N 3.22Å
13	S	27.4	Very low	26.7	Very low	95 Å²	95	108.2 Å²	108.2	66%	0.664	60%	0.6	S	S	*	*	H	α-helix	trans	-46.7	-31.8	174.4	-37.1	0	0	0	0	111.7	I16 D17	S13-I16 PolarHBondContact O-N 3.27Å; S13-D17 WeakPolarHBondContact O-CB 3.48Å; S13-D17 VanDerWaalsContact O-CG 3.23Å; S13-D17 PolarHBondContact O-N 3.48Å
14	Q	29.9	Very low	27	Very low	125 Å²	125	100 Å²	100	58%	0.584	57%	0.572	S	S	*	*	H	α-helix	trans	-58.4	-41.6	171.6	-141	96.6	11.7	0	0	115.2	T12 D17 N18	T12-Q14 PolarHBondContact O-N 3.26Å; Q14-D17 PolarHBondContact O-N 3.12Å; Q14-N18 WeakPolarHBondContact O-CB 3.46Å; Q14-N18 PolarHBondContact O-N 2.84Å; Q14-N18 PolarHBondContact O-ND2 2.82Å
15	A	27.2	Very low	27.5	Very low	34 Å²	34	98.3 Å²	98.3	28%	0.281	56%	0.555	S	S	.	*	H	α-helix	trans	-71.9	-34.3	179.8	0	0	0	0	0	111.6	W11 T12 A19	W11-A15 HydrophobicContact CE3-CB 4.25Å; T12-A15 WeakPolarHBondContact O-CB 3.4Å; T12-A15 PolarHBondContact O-N 3.23Å; A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 2.83Å
16	I	27.1	Very low	27.9	Very low	82 Å²	82	99.2 Å²	99.2	42%	0.421	56%	0.557	S	S	.	*	H	α-helix	trans	-69.4	-43.8	172.6	-61.9	174.4	0	0	0	109.9	W11 T12 S13 N18 A19 I20	W11-I16 HydrophobicContact CB-CG1 4.39Å; W11-I16 HydrophobicContact CE3-CG1 4.21Å; T12-I16 PolarHBondContact O-N 3.22Å; S13-I16 PolarHBondContact O-N 3.27Å; I16-N18 PolarHBondContact O-N 2.88Å; I16-A19 PolarHBondContact O-N 3.37Å; I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 WeakPolarHBondContact O-CB 3.3Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 3.07Å
17	D	30.3	Very low	28.1	Very low	71 Å²	71	100 Å²	100	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-60.7	-43.6	175.4	-74.6	-21.5	0	0	0	111.4	S13 Q14 A19 I20 V21	S13-D17 WeakPolarHBondContact O-CB 3.48Å; S13-D17 VanDerWaalsContact O-CG 3.23Å; S13-D17 PolarHBondContact O-N 3.48Å; Q14-D17 PolarHBondContact O-N 3.12Å; D17-A19 PolarHBondContact O-N 3.34Å; D17-I20 PolarHBondContact O-N 2.66Å; D17-V21 WeakPolarHBondContact O-CB 3.35Å; D17-V21 WeakPolarHBondContact O-CG2 3.21Å; D17-V21 PolarHBondContact O-N 2.79Å
18	N	28.1	Very low	28.7	Very low	69 Å²	69	98.4 Å²	98.4	37%	0.369	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-38	176	-73.1	-16.9	0	0	0	112.6	Q14 I16 M22	Q14-N18 WeakPolarHBondContact O-CB 3.46Å; Q14-N18 PolarHBondContact O-N 2.84Å; Q14-N18 PolarHBondContact O-ND2 2.82Å; I16-N18 PolarHBondContact O-N 2.88Å; N18-M22 PolarHBondContact O-N 2.84Å
19	A	25.8	Very low	29.2	Very low	34 Å²	34	98.2 Å²	98.2	28%	0.281	51%	0.508	S	S	.	.	H	α-helix	trans	-69	-39.5	176.2	0	0	0	0	0	112.3	A15 I16 D17 M22 V23	A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 2.83Å; I16-A19 PolarHBondContact O-N 3.37Å; D17-A19 PolarHBondContact O-N 3.34Å; A19-M22 PolarHBondContact O-N 3.09Å; A19-V23 WeakPolarHBondContact O-CG2 3.21Å; A19-V23 PolarHBondContact O-N 3.01Å
20	I	27.1	Very low	29.7	Very low	58 Å²	58	91.8 Å²	91.8	30%	0.297	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-39.5	177.1	-69.2	169	0	0	0	110.8	I16 D17 V23 L24	I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 WeakPolarHBondContact O-CB 3.3Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 3.07Å; D17-I20 PolarHBondContact O-N 2.66Å; I20-V23 PolarHBondContact O-N 3.44Å; I20-L24 HydrophobicContact CG2-CD1 3.93Å; I20-L24 PolarHBondContact O-N 2.91Å
21	V	30.6	Very low	30.4	Very low	40 Å²	40	89.4 Å²	89.4	24%	0.242	47%	0.469	C	S	.	.	H	α-helix	trans	-63.4	-42.5	174.8	169.6	0	0	0	0	110.9	D17 V23 L24 L25 F129 L133	D17-V21 WeakPolarHBondContact O-CB 3.35Å; D17-V21 WeakPolarHBondContact O-CG2 3.21Å; D17-V21 PolarHBondContact O-N 2.79Å; V21-V23 PolarHBondContact O-N 3.03Å; V21-L24 PolarHBondContact O-N 3.31Å; V21-L25 HydrophobicContact CG1-CD1 3.63Å; V21-L25 WeakPolarHBondContact O-CB 3.48Å; V21-L25 WeakPolarHBondContact O-CD1 3.4Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 2.89Å; V21-L25 VanDerWaalsContact O-N 3.1Å; V21-F129 HydrophobicContact CG1-CE1 4.1Å; V21-F129 HydrophobicContact CG1-CZ 4.16Å; V21-L133 HydrophobicContact CG1-CD1 4.24Å
22	M	27.2	Very low	30.8	Very low	130 Å²	130	83.1 Å²	83.1	64%	0.64	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-41.6	172.3	-81.5	-164.3	-62.5	0	0	113	N18 A19 L25 T26	N18-M22 PolarHBondContact O-N 2.84Å; A19-M22 PolarHBondContact O-N 3.09Å; M22-L25 PolarHBondContact O-N 2.79Å; M22-T26 PolarHBondContact O-N 2.83Å
23	V	27.6	Very low	31.1	Very low	98 Å²	98	79.3 Å²	79.3	59%	0.594	43%	0.43	S	S	*	.	H	α-helix	trans	-67.8	-37.5	179	172.2	0	0	0	0	111.8	A19 I20 V21 L25 T26	A19-V23 WeakPolarHBondContact O-CG2 3.21Å; A19-V23 PolarHBondContact O-N 3.01Å; I20-V23 PolarHBondContact O-N 3.44Å; V21-V23 PolarHBondContact O-N 3.03Å; V23-L25 VanDerWaalsContact C-N 3.34Å; V23-T26 PolarHBondContact O-OG1 3.31Å
24	L	29.7	Very low	31.5	Very low	67 Å²	67	76.5 Å²	76.5	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-35.9	175.4	-81	158.8	0	0	0	112.1	I20 V21 K27 V28	I20-L24 HydrophobicContact CG2-CD1 3.93Å; I20-L24 PolarHBondContact O-N 2.91Å; V21-L24 PolarHBondContact O-N 3.31Å; L24-K27 PolarHBondContact O-N 2.62Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 3.36Å
25	L	32.5	Very low	31.7	Very low	77 Å²	77	73.1 Å²	73.1	40%	0.403	40%	0.4	S	S	.	.	H	α-helix	trans	-79	-19.1	-178.5	-67.5	159.8	0	0	0	114.1	V21 M22 V23 K27 V28 F129	V21-L25 HydrophobicContact CG1-CD1 3.63Å; V21-L25 WeakPolarHBondContact O-CB 3.48Å; V21-L25 WeakPolarHBondContact O-CD1 3.4Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 2.89Å; V21-L25 VanDerWaalsContact O-N 3.1Å; M22-L25 PolarHBondContact O-N 2.79Å; V23-L25 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 3.38Å; L25-V28 VanDerWaalsContact O-O 3.1Å; L25-F129 HydrophobicContact CD1-CE1 4.36Å; L25-F129 HydrophobicContact CD1-CE2 4.2Å; L25-F129 HydrophobicContact CD1-CZ 3.49Å; L25-F129 VanDerWaalsContact CD1-CZ 3.49Å
26	T	30.5	Very low	31.9	Very low	117 Å²	117	75.4 Å²	75.4	72%	0.718	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.4	170.6	53	0	0	0	0	113.3	M22 V23	M22-T26 PolarHBondContact O-N 2.83Å; V23-T26 PolarHBondContact O-OG1 3.31Å
27	K	30.5	Very low	32.2	Very low	168 Å²	168	77.8 Å²	77.8	73%	0.73	42%	0.418	S	S	*	.	S	Bend	trans	-107.2	-7.6	179.7	-68.9	-161.8	174.9	-171.2	0	114.5	L24 L25	L24-K27 PolarHBondContact O-N 2.62Å; L25-K27 PolarHBondContact O-N 3.38Å
28	V	35.7	Very low	32.2	Very low	46 Å²	46	77.4 Å²	77.4	28%	0.279	42%	0.419	S	S	.	.			trans	-116.1	111.2	-177.5	178.6	0	0	0	0	107	L24 L25 P30 V70	L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 3.36Å; L25-V28 VanDerWaalsContact O-O 3.1Å; V28-P30 WeakPolarHBondContact O-CD 3.13Å; V28-V70 HydrophobicContact CG1-CG1 3.25Å
29	R	35.6	Very low	32.2	Very low	162 Å²	162	81.5 Å²	81.5	61%	0.611	44%	0.439	S	S	*	.			trans	-91.5	99.3	175.6	-68.6	-173.5	-179.9	-177.9	2.7	108.3	F31	R29-F31 PolarHBondContact O-N 2.87Å
30	P	35.9	Very low	32.4	Very low	91 Å²	91	84.1 Å²	84.1	59%	0.591	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.6	167.6	28.7	-33.4	0	0	0	108.4	V28	V28-P30 WeakPolarHBondContact O-CD 3.13Å
31	F	40.1	Very low	32.5	Very low	37 Å²	37	82 Å²	82	16%	0.162	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.8	168.1	63.8	-86.2	0	0	0	108.4	R29 C41 C45 C68 Y69 E71	R29-F31 PolarHBondContact O-N 2.87Å; F31-C41 HydrophobicContact CE2-CB 4.48Å; F31-C45 VanDerWaalsContact CD2-SG 3.51Å; F31-C45 HydrophobicContact CE1-CB 4.38Å; F31-C45 WeakPolarHBondContact CE1-SG 3.41Å; F31-C45 WeakPolarHBondContact CE2-SG 3.13Å; F31-C45 HydrophobicContact CZ-CB 4.1Å; F31-C45 WeakPolarHBondContact CZ-SG 3.46Å; F31-C68 WeakPolarHBondContact O-CA 2.86Å; F31-Y69 AromaticContact CD2-CD2 3.91Å; F31-Y69 HydrophobicContact CD2-CD2 3.91Å; F31-Y69 HydrophobicContact CD2-CG 4.28Å; F31-Y69 VanDerWaalsContact CE1-CB 3.44Å; F31-Y69 HydrophobicContact CE1-CG 4.46Å; F31-Y69 AromaticContact CE2-CD2 3.37Å; F31-Y69 HydrophobicContact CE2-CD2 3.37Å; F31-Y69 HydrophobicContact CE2-CE2 4.33Å; F31-Y69 AromaticContact CE2-CG 3.5Å; F31-Y69 HydrophobicContact CE2-CG 3.5Å; F31-Y69 VanDerWaalsContact CE2-CG 3.5Å; F31-Y69 HydrophobicContact CZ-CD1 4.43Å; F31-Y69 HydrophobicContact CZ-CD2 4.01Å; F31-Y69 AromaticContact CZ-CG 3.62Å; F31-Y69 HydrophobicContact CZ-CG 3.62Å; F31-Y69 PolarHBondContact N-O 2.7Å; F31-Y69 PolarHBondContact O-N 2.96Å; F31-E71 HydrophobicContact CE1-CB 4.11Å
32	C	37.8	Very low	32.4	Very low	57 Å²	57	82 Å²	82	39%	0.385	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	178.2	-58.8	0	0	0	0	109	C68	C32-C68 HydrophobicContact CB-CB 4.19Å; C32-C68 WeakPolarHBondContact CB-SG 3.11Å; C32-C68 WeakPolarHBondContact SG-CB 3.47Å; C32-C68 CovalentContact SG-SG 2.07Å; C32-C68 PolarHBondContact SG-SG 3.29Å
33	C	37.2	Very low	32.4	Very low	7 Å²	7	80.6 Å²	80.6	5%	0.047	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.4	-177.1	-69.3	0	0	0	0	110.2	S35 C41 Y66 T67 Y69	C33-S35 PolarHBondContact O-N 3.43Å; C33-C41 HydrophobicContact CB-CB 3.8Å; C33-C41 WeakPolarHBondContact CB-SG 3.33Å; C33-C41 WeakPolarHBondContact SG-CB 3.44Å; C33-C41 CovalentContact SG-SG 1.98Å; C33-C41 PolarHBondContact SG-SG 3.04Å; C33-Y66 CarbonylContact O-C 3.59Å; C33-Y66 WeakPolarHBondContact O-CA 3.36Å; C33-T67 PolarHBondContact N-O 3.2Å; C33-T67 PolarHBondContact O-N 2.92Å; C33-Y69 HydrophobicContact CB-CE2 4.15Å
34	P	34.5	Very low	32.3	Very low	36 Å²	36	79 Å²	79	23%	0.234	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.3	169.8	-4.2	15.3	0	0	0	108.7	S36 Y37 Y66	P34-S36 PolarHBondContact O-N 3.13Å; P34-Y37 HydrophobicContact CB-CD2 3.89Å; P34-Y37 HydrophobicContact CG-CD2 3.71Å; P34-Y37 HydrophobicContact CG-CE2 4.29Å; P34-Y37 PolarHBondContact O-N 3.41Å; P34-Y66 HydrophobicContact CG-CE1 4.36Å
35	S	34.9	Very low	32.3	Very low	54 Å²	54	76.7 Å²	76.7	38%	0.378	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.1	-176.3	-62.9	0	0	0	0	113.5	C33 Y37 V38 T65	C33-S35 PolarHBondContact O-N 3.43Å; S35-Y37 PolarHBondContact O-N 2.83Å; S35-V38 VanDerWaalsContact O-CG2 3.29Å; S35-V38 WeakPolarHBondContact O-CG2 3.34Å; S35-T65 WeakPolarHBondContact CB-O 3.21Å; S35-T65 PolarHBondContact N-O 3.33Å; S35-T65 VanDerWaalsContact OG-CB 3.31Å; S35-T65 WeakPolarHBondContact OG-CB 3.42Å; S35-T65 PolarHBondContact OG-O 3.03Å
36	S	30.9	Very low	32	Very low	82 Å²	82	83.1 Å²	83.1	57%	0.573	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13	173.1	38.8	0	0	0	0	114.5	P34	P34-S36 PolarHBondContact O-N 3.13Å
37	Y	33.6	Very low	31.7	Very low	132 Å²	132	84 Å²	84	52%	0.518	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-118.7	13.4	-175	-68.7	-91.5	0	0	0	113.8	P34 S35 I39 N40 C41	P34-Y37 HydrophobicContact CB-CD2 3.89Å; P34-Y37 HydrophobicContact CG-CD2 3.71Å; P34-Y37 HydrophobicContact CG-CE2 4.29Å; P34-Y37 PolarHBondContact O-N 3.41Å; S35-Y37 PolarHBondContact O-N 2.83Å; Y37-I39 PolarHBondContact O-N 2.88Å; Y37-I39 VanDerWaalsContact O-N 3.08Å; Y37-N40 PolarHBondContact O-N 3.09Å; Y37-C41 PolarHBondContact O-N 2.81Å
38	V	30.2	Very low	31.4	Very low	64 Å²	64	80.8 Å²	80.8	39%	0.388	44%	0.441	S	S	.	.	H	α-helix	trans	-53.9	-33.8	-178.1	170.4	0	0	0	0	112.6	S35	S35-V38 VanDerWaalsContact O-CG2 3.29Å; S35-V38 WeakPolarHBondContact O-CG2 3.34Å
39	I	28.4	Very low	30.8	Very low	155 Å²	155	88.5 Å²	88.5	80%	0.795	47%	0.466	S	S	*	.	H	α-helix	trans	-72.1	-34	178.9	-60.7	173.7	0	0	0	111.8	Y37	Y37-I39 PolarHBondContact O-N 2.88Å; Y37-I39 VanDerWaalsContact O-N 3.08Å
40	N	29	Very low	30.4	Very low	88 Å²	88	82.9 Å²	82.9	47%	0.471	45%	0.451	S	S	.	.	H	α-helix	trans	-89.5	-18.4	-178.8	-79.9	-20.8	0	0	0	113.7	Y37 G42 L43 C44	Y37-N40 PolarHBondContact O-N 3.09Å; N40-G42 PolarHBondContact O-N 3.29Å; N40-L43 PolarHBondContact O-N 3.09Å; N40-C44 PolarHBondContact O-N 3.16Å; N40-C44 VanDerWaalsContact O-N 3.08Å
41	C	29.4	Very low	29.8	Very low	13 Å²	13	86.2 Å²	86.2	9%	0.088	46%	0.459	C	S	.	.	H	α-helix	trans	-70.6	-28.6	178.4	-82.9	0	0	0	0	114.5	F31 C33 Y37 L43 C44 C45	F31-C41 HydrophobicContact CE2-CB 4.48Å; C33-C41 HydrophobicContact CB-CB 3.8Å; C33-C41 WeakPolarHBondContact CB-SG 3.33Å; C33-C41 WeakPolarHBondContact SG-CB 3.44Å; C33-C41 CovalentContact SG-SG 1.98Å; C33-C41 PolarHBondContact SG-SG 3.04Å; Y37-C41 PolarHBondContact O-N 2.81Å; C41-L43 PolarHBondContact O-N 3.38Å; C41-C44 PolarHBondContact O-N 3.13Å; C41-C45 PolarHBondContact O-N 2.73Å; C41-C45 PolarHBondContact O-SG 2.9Å
42	G	28.6	Very low	29.2	Very low	40 Å²	40	92 Å²	92	41%	0.412	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-25.4	170.7	0	0	0	0	0	113.7	N40	N40-G42 PolarHBondContact O-N 3.29Å
43	L	27	Very low	28.6	Very low	101 Å²	101	96.5 Å²	96.5	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-86.4	-37.4	176.6	-80	157.9	0	0	0	112	N40 C41 C45 R46	N40-L43 PolarHBondContact O-N 3.09Å; C41-L43 PolarHBondContact O-N 3.38Å; L43-C45 PolarHBondContact O-N 3.06Å; L43-R46 PolarHBondContact O-N 2.78Å
44	C	27.2	Very low	28.2	Very low	65 Å²	65	102 Å²	102	44%	0.439	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-19.7	175.5	-70.3	0	0	0	0	114.2	N40 C41 F47 C50	N40-C44 PolarHBondContact O-N 3.16Å; N40-C44 VanDerWaalsContact O-N 3.08Å; C41-C44 PolarHBondContact O-N 3.13Å; C44-F47 VanDerWaalsContact O-O 3.1Å; C44-C50 PolarHBondContact O-SG 3.08Å; C44-C50 VanDerWaalsContact O-SG 3.35Å
45	C	28.2	Very low	27.8	Very low	18 Å²	18	109.5 Å²	109.5	12%	0.122	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-19.9	176.5	-67.2	0	0	0	0	114	F31 C41 L43 F47	F31-C45 VanDerWaalsContact CD2-SG 3.51Å; F31-C45 HydrophobicContact CE1-CB 4.38Å; F31-C45 WeakPolarHBondContact CE1-SG 3.41Å; F31-C45 WeakPolarHBondContact CE2-SG 3.13Å; F31-C45 HydrophobicContact CZ-CB 4.1Å; F31-C45 WeakPolarHBondContact CZ-SG 3.46Å; C41-C45 PolarHBondContact O-N 2.73Å; C41-C45 PolarHBondContact O-SG 2.9Å; L43-C45 PolarHBondContact O-N 3.06Å; C45-F47 VanDerWaalsContact C-N 3.33Å
46	R	28.2	Very low	27.4	Very low	213 Å²	213	112.1 Å²	112.1	80%	0.804	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-18.2	179.6	-146.9	175.3	-174.1	-177.5	0.8	112.9	L43	L43-R46 PolarHBondContact O-N 2.78Å
47	F	23.8	Very low	27.3	Very low	135 Å²	135	112.8 Å²	112.8	59%	0.592	56%	0.561	S	S	*	*	S	Bend	trans	-112.5	131.4	172.9	-68.4	-83	0	0	0	108.2	C44 C45 Y49	C44-F47 VanDerWaalsContact O-O 3.1Å; C45-F47 VanDerWaalsContact C-N 3.33Å; F47-Y49 HydrophobicContact CB-CD2 4.31Å; F47-Y49 PolarHBondContact O-N 3.47Å
48	A	23.6	Very low	27	Very low	101 Å²	101	111.4 Å²	111.4	84%	0.835	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	34.1	-178.7	0	0	0	0	0	114.7
49	Y	23.7	Very low	27	Very low	207 Å²	207	115.8 Å²	115.8	81%	0.812	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	5.8	-176.5	-90.1	-83	0	0	0	114.3	F47 Q51	F47-Y49 HydrophobicContact CB-CD2 4.31Å; F47-Y49 PolarHBondContact O-N 3.47Å; Y49-Q51 VanDerWaalsContact C-N 3.26Å; Y49-Q51 PolarHBondContact O-N 3.34Å
50	C	26	Very low	27.3	Very low	44 Å²	44	114.9 Å²	114.9	30%	0.297	58%	0.578	S	S	.	*			trans	-90.8	54.9	167	-72.2	0	0	0	0	111.6	C44 W52	C44-C50 PolarHBondContact O-SG 3.08Å; C44-C50 VanDerWaalsContact O-SG 3.35Å; C50-W52 PolarHBondContact O-N 3.15Å
51	Q	24.6	Very low	27.3	Very low	161 Å²	161	113.2 Å²	113.2	75%	0.752	57%	0.57	S	S	*	*			trans	-79.3	68.6	150.4	-81.4	-167.9	-11.1	0	0	107.8	Y49 K53	Y49-Q51 VanDerWaalsContact C-N 3.26Å; Y49-Q51 PolarHBondContact O-N 3.34Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.01Å
52	W	27.7	Very low	27.4	Very low	159 Å²	159	116 Å²	116	60%	0.602	59%	0.588	S	S	*	*			trans	-74.2	99.8	164.7	-69.4	76.6	0	0	0	106	C50 V54	C50-W52 PolarHBondContact O-N 3.15Å; W52-V54 PolarHBondContact O-N 3.29Å; W52-V54 VanDerWaalsContact O-N 3.09Å
53	K	24.5	Very low	27.6	Very low	152 Å²	152	120.6 Å²	120.6	66%	0.661	60%	0.596	S	S	*	*			trans	-49.7	121.4	157.8	-77.5	177.5	178.6	171.9	0	105.1	Q51 K55 D56	Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.01Å; K53-K55 HydrophobicContact CB-CB 4.5Å; K53-K55 PolarHBondContact O-N 3.33Å; K53-D56 PolarHBondContact O-N 3.42Å
54	V	28	Very low	28	Very low	123 Å²	123	119.9 Å²	119.9	75%	0.745	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	5.7	175.6	-179.6	0	0	0	0	112.4	W52	W52-V54 PolarHBondContact O-N 3.29Å; W52-V54 VanDerWaalsContact O-N 3.09Å
55	K	25.6	Very low	28.3	Very low	193 Å²	193	120.1 Å²	120.1	84%	0.839	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-12.2	173.8	-70.1	-170.9	171.7	-172.7	0	114.4	K53	K53-K55 HydrophobicContact CB-CB 4.5Å; K53-K55 PolarHBondContact O-N 3.33Å
56	D	26.7	Very low	28.6	Very low	109 Å²	109	122.6 Å²	122.6	58%	0.583	60%	0.597	S	S	*	*			trans	-121.4	16.6	-173.6	-58.4	-46.5	0	0	0	113.9	K53 P58	K53-D56 PolarHBondContact O-N 3.42Å; D56-P58 WeakPolarHBondContact O-CD 3.18Å
57	L	30.2	Very low	29	Very low	96 Å²	96	114.6 Å²	114.6	50%	0.503	57%	0.572	S	S	.	*			trans	-73.6	114.3	169.2	-90.6	155.9	0	0	0	108.3	I59	L57-I59 PolarHBondContact O-N 3.11Å; L57-I59 VanDerWaalsContact O-N 3.15Å
58	P	27.5	Very low	29.6	Very low	102 Å²	102	110.1 Å²	110.1	66%	0.662	56%	0.557	S	S	*	*			trans	-57.1	125.5	166.6	25.6	-31.3	0	0	0	106.6	D56 F60	D56-P58 WeakPolarHBondContact O-CD 3.18Å; P58-F60 PolarHBondContact O-N 3.28Å
59	I	28.9	Very low	30.3	Very low	156 Å²	156	108.4 Å²	108.4	80%	0.8	53%	0.529	S	S	*	.			trans	4.4	110.3	161.5	-58.1	164.6	0	0	0	111.4	L57 D61	L57-I59 PolarHBondContact O-N 3.11Å; L57-I59 VanDerWaalsContact O-N 3.15Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 2.72Å
60	F	34.3	Very low	30.9	Very low	136 Å²	136	101.6 Å²	101.6	60%	0.596	51%	0.509	S	S	*	.			trans	-46.9	105.4	166.5	-98.6	-94.4	0	0	0	107.5	P58 P62 Y66	P58-F60 PolarHBondContact O-N 3.28Å; F60-P62 WeakPolarHBondContact O-CD 3.29Å; F60-Y66 HydrophobicContact CD1-CD2 4.14Å; F60-Y66 AromaticContact CD1-CE2 3.76Å; F60-Y66 HydrophobicContact CD1-CE2 3.76Å; F60-Y66 HydrophobicContact CE1-CD2 4.18Å; F60-Y66 HydrophobicContact CE1-CE2 4.22Å; F60-Y66 HydrophobicContact CE1-CG 4.4Å
61	D	30.5	Very low	31.2	Very low	54 Å²	54	102.8 Å²	102.8	29%	0.289	51%	0.51	S	S	.	.			trans	-69.3	112.6	172.9	-178.5	-10.7	0	0	0	106.6	I59 F63 H64 Y66	I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 2.72Å; D61-F63 PolarHBondContact O-N 3.06Å; D61-F63 VanDerWaalsContact O-N 3.13Å; D61-F63 WeakPolarHBondContact OD1-CB 3.45Å; D61-F63 VanDerWaalsContact OD1-CD2 3.25Å; D61-F63 WeakPolarHBondContact OD1-CD2 3.43Å; D61-F63 PolarHBondContact OD1-N 2.81Å; D61-H64 HydrophobicContact CB-CB 4.27Å; D61-H64 PolarHBondContact O-N 3.21Å; D61-H64 VanDerWaalsContact O-N 3.16Å; D61-H64 IonicContact OD2-CE1 3.38Å; D61-H64 PolarHBondContact OD2-CE1 3.36Å; D61-H64 IonicContact OD2-CG 3.88Å; D61-H64 IonicContact OD2-ND1 2.73Å; D61-H64 PolarHBondContact OD2-ND1 3.08Å; D61-Y66 PolarHBondContact N-OH 2.92Å; D61-Y66 WeakPolarHBondContact O-CE2 3.09Å; D61-Y66 PolarHBondContact O-OH 3.34Å
62	P	31.4	Very low	31.5	Very low	72 Å²	72	97.9 Å²	97.9	47%	0.468	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.5	-178.7	28.6	-34.2	0	0	0	112.4	F60	F60-P62 WeakPolarHBondContact O-CD 3.29Å
63	F	31.7	Very low	31.6	Very low	135 Å²	135	94.5 Å²	94.5	59%	0.592	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.7	179.2	-55.3	-71.2	0	0	0	113.5	D61	D61-F63 PolarHBondContact O-N 3.06Å; D61-F63 VanDerWaalsContact O-N 3.13Å; D61-F63 WeakPolarHBondContact OD1-CB 3.45Å; D61-F63 VanDerWaalsContact OD1-CD2 3.25Å; D61-F63 WeakPolarHBondContact OD1-CD2 3.43Å; D61-F63 PolarHBondContact OD1-N 2.81Å
64	H	35.5	Very low	31.9	Very low	86 Å²	86	92.6 Å²	92.6	40%	0.398	50%	0.497	S	S	.	.	S	Bend	trans	-100.5	130.3	179.2	-88.5	79.7	0	0	0	112.6	D61 Y66	D61-H64 HydrophobicContact CB-CB 4.27Å; D61-H64 PolarHBondContact O-N 3.21Å; D61-H64 VanDerWaalsContact O-N 3.16Å; D61-H64 IonicContact OD2-CE1 3.38Å; D61-H64 PolarHBondContact OD2-CE1 3.36Å; D61-H64 IonicContact OD2-CG 3.88Å; D61-H64 IonicContact OD2-ND1 2.73Å; D61-H64 PolarHBondContact OD2-ND1 3.08Å; H64-Y66 HydrophobicContact CB-CE2 3.92Å; H64-Y66 WeakPolarHBondContact O-CD2 3.31Å; H64-Y66 WeakPolarHBondContact O-CE2 3.43Å; H64-Y66 PolarHBondContact O-N 3.37Å
65	T	34	Very low	31.8	Very low	70 Å²	70	96 Å²	96	43%	0.429	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-74.6	117.1	169.7	-47.2	0	0	0	0	108.7	S35 T86	S35-T65 WeakPolarHBondContact CB-O 3.21Å; S35-T65 PolarHBondContact N-O 3.33Å; S35-T65 VanDerWaalsContact OG-CB 3.31Å; S35-T65 WeakPolarHBondContact OG-CB 3.42Å; S35-T65 PolarHBondContact OG-O 3.03Å; T65-T86 HydrophobicContact CG2-CG2 4.31Å
66	Y	34.3	Very low	31.9	Very low	71 Å²	71	93.6 Å²	93.6	28%	0.278	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128	174.6	-63.2	-90.4	0	0	0	110.7	C33 P34 F60 D61 H64	C33-Y66 CarbonylContact O-C 3.59Å; C33-Y66 WeakPolarHBondContact O-CA 3.36Å; P34-Y66 HydrophobicContact CG-CE1 4.36Å; F60-Y66 HydrophobicContact CD1-CD2 4.14Å; F60-Y66 AromaticContact CD1-CE2 3.76Å; F60-Y66 HydrophobicContact CD1-CE2 3.76Å; F60-Y66 HydrophobicContact CE1-CD2 4.18Å; F60-Y66 HydrophobicContact CE1-CE2 4.22Å; F60-Y66 HydrophobicContact CE1-CG 4.4Å; D61-Y66 PolarHBondContact N-OH 2.92Å; D61-Y66 WeakPolarHBondContact O-CE2 3.09Å; D61-Y66 PolarHBondContact O-OH 3.34Å; H64-Y66 HydrophobicContact CB-CE2 3.92Å; H64-Y66 WeakPolarHBondContact O-CD2 3.31Å; H64-Y66 WeakPolarHBondContact O-CE2 3.43Å; H64-Y66 PolarHBondContact O-N 3.37Å
67	T	37.6	Very low	31.9	Very low	45 Å²	45	91.5 Å²	91.5	28%	0.276	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.8	167.5	-53.5	0	0	0	0	107.8	C33 Y69	C33-T67 PolarHBondContact N-O 3.2Å; C33-T67 PolarHBondContact O-N 2.92Å; T67-Y69 HydrophobicContact CG2-CD2 4.35Å; T67-Y69 HydrophobicContact CG2-CE1 4.09Å; T67-Y69 HydrophobicContact CG2-CE2 3.68Å; T67-Y69 WeakPolarHBondContact O-CD2 3.4Å; T67-Y69 WeakPolarHBondContact O-CE2 2.92Å
68	C	36.1	Very low	31.8	Very low	41 Å²	41	93.6 Å²	93.6	28%	0.277	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.1	175.3	-62.8	0	0	0	0	110.3	F31 C32	F31-C68 WeakPolarHBondContact O-CA 2.86Å; C32-C68 HydrophobicContact CB-CB 4.19Å; C32-C68 WeakPolarHBondContact CB-SG 3.11Å; C32-C68 WeakPolarHBondContact SG-CB 3.47Å; C32-C68 CovalentContact SG-SG 2.07Å; C32-C68 PolarHBondContact SG-SG 3.29Å
69	Y	37.9	Very low	31.8	Very low	65 Å²	65	99.4 Å²	99.4	26%	0.255	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.1	178.9	-62.4	-88.5	0	0	0	109.3	F31 C33 T67	F31-Y69 AromaticContact CD2-CD2 3.91Å; F31-Y69 HydrophobicContact CD2-CD2 3.91Å; F31-Y69 HydrophobicContact CD2-CG 4.28Å; F31-Y69 VanDerWaalsContact CE1-CB 3.44Å; F31-Y69 HydrophobicContact CE1-CG 4.46Å; F31-Y69 AromaticContact CE2-CD2 3.37Å; F31-Y69 HydrophobicContact CE2-CD2 3.37Å; F31-Y69 HydrophobicContact CE2-CE2 4.33Å; F31-Y69 AromaticContact CE2-CG 3.5Å; F31-Y69 HydrophobicContact CE2-CG 3.5Å; F31-Y69 VanDerWaalsContact CE2-CG 3.5Å; F31-Y69 HydrophobicContact CZ-CD1 4.43Å; F31-Y69 HydrophobicContact CZ-CD2 4.01Å; F31-Y69 AromaticContact CZ-CG 3.62Å; F31-Y69 HydrophobicContact CZ-CG 3.62Å; F31-Y69 PolarHBondContact N-O 2.7Å; F31-Y69 PolarHBondContact O-N 2.96Å; C33-Y69 HydrophobicContact CB-CE2 4.15Å; T67-Y69 HydrophobicContact CG2-CD2 4.35Å; T67-Y69 HydrophobicContact CG2-CE1 4.09Å; T67-Y69 HydrophobicContact CG2-CE2 3.68Å; T67-Y69 WeakPolarHBondContact O-CD2 3.4Å; T67-Y69 WeakPolarHBondContact O-CE2 2.92Å
70	V	36.2	Very low	31.9	Very low	63 Å²	63	103.4 Å²	103.4	38%	0.382	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.6	174.2	-176.6	0	0	0	0	106.6	V28 A72 L81	V28-V70 HydrophobicContact CG1-CG1 3.25Å; V70-A72 PolarHBondContact O-N 3.02Å; V70-L81 HydrophobicContact CB-CD1 4.24Å
71	E	32.3	Very low	31.7	Very low	70 Å²	70	102.2 Å²	102.2	33%	0.327	52%	0.524	S	S	.	.			trans	-71.4	101.4	171.3	-160.9	178.3	-177.5	0	0	108.1	F31 T73	F31-E71 HydrophobicContact CE1-CB 4.11Å; E71-T73 PolarHBondContact O-N 3.09Å
72	A	30.4	Very low	31.6	Very low	58 Å²	58	106.8 Å²	106.8	48%	0.479	54%	0.544	S	S	.	.			trans	-64.5	125	160.1	0	0	0	0	0	106.5	V70	V70-A72 PolarHBondContact O-N 3.02Å
73	T	30.9	Very low	31.5	Very low	87 Å²	87	108.7 Å²	108.7	53%	0.534	56%	0.559	S	S	.	*			trans	-26.4	145.2	176.2	44.3	0	0	0	0	114.9	E71 F75 M76	E71-T73 PolarHBondContact O-N 3.09Å; T73-F75 PolarHBondContact O-N 3.05Å; T73-M76 PolarHBondContact O-N 3.23Å
74	P	29.5	Very low	31.5	Very low	112 Å²	112	107 Å²	107	73%	0.727	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	6.6	-160.7	22.5	-35	0	0	0	117.9
75	F	27.1	Very low	31.2	Very low	196 Å²	196	107.3 Å²	107.3	86%	0.86	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	1.1	179.3	-71.4	-81.7	0	0	0	114.4	T73	T73-F75 PolarHBondContact O-N 3.05Å
76	M	26.3	Very low	31.2	Very low	141 Å²	141	108.3 Å²	108.3	70%	0.695	57%	0.567	S	S	*	*	S	Bend	trans	-126.7	114.5	176.1	-73.4	-174.2	157.5	0	0	109.3	T73	T73-M76 PolarHBondContact O-N 3.23Å
77	G	26.3	Very low	31.1	Very low	66 Å²	66	110.8 Å²	110.8	68%	0.68	58%	0.584	S	S	*	*			trans	-48.3	140.8	-179	0	0	0	0	0	112.3	R79	G77-R79 PolarHBondContact O-N 3.47Å
78	L	28.5	Very low	30.7	Very low	139 Å²	139	111.7 Å²	111.7	73%	0.728	59%	0.586	S	S	*	*			trans	-45.5	100.3	177.5	-70.6	161.4	0	0	0	110.3
79	R	28.2	Very low	30.5	Very low	225 Å²	225	111.8 Å²	111.8	85%	0.849	59%	0.588	S	S	*	*			trans	-90	123	166.2	-76	-168.5	178.3	-162.9	0.7	107.4	G77 L81	G77-R79 PolarHBondContact O-N 3.47Å; R79-L81 PolarHBondContact O-N 2.9Å
80	R	30.7	Very low	30.4	Very low	240 Å²	240	112.2 Å²	112.2	91%	0.906	60%	0.599	S	S	*	*			trans	-59	99.9	170.6	-170.8	178.3	-173.9	178.2	1.3	107.5
81	L	30.7	Very low	30.5	Very low	110 Å²	110	112.7 Å²	112.7	58%	0.576	60%	0.604	S	S	*	*			trans	-68.6	134.9	167.3	-83.8	157.3	0	0	0	107.4	V70 R79	V70-L81 HydrophobicContact CB-CD1 4.24Å; R79-L81 PolarHBondContact O-N 2.9Å
82	E	28.8	Very low	30.7	Very low	150 Å²	150	110.4 Å²	110.4	70%	0.701	60%	0.597	S	S	*	*			trans	-48	142.4	-178.1	-64.5	174.2	150.4	0	0	110.8	F84	E82-F84 PolarHBondContact O-N 3.47Å
83	S	29.3	Very low	31.2	Very low	112 Å²	112	110.8 Å²	110.8	78%	0.783	59%	0.59	S	S	*	*			trans	-50	115	178.6	47.2	0	0	0	0	110.4
84	F	30.1	Very low	31.7	Very low	99 Å²	99	109 Å²	109	43%	0.434	58%	0.577	S	S	.	*			trans	-63.1	143.6	170.1	-69.9	-84	0	0	0	109.4	E82 T86	E82-F84 PolarHBondContact O-N 3.47Å; F84-T86 PolarHBondContact O-N 2.89Å
85	P	31	Very low	32.3	Very low	94 Å²	94	109 Å²	109	61%	0.61	59%	0.586	S	S	*	*			trans	-55.9	133.6	169.6	22.9	-30.9	0	0	0	109	I87	P85-I87 PolarHBondContact O-N 3.39Å
86	T	32.2	Very low	33	Very low	91 Å²	91	106 Å²	106	56%	0.558	58%	0.579	S	S	*	*			trans	-46.8	115	178.9	-47.4	0	0	0	0	109.8	T65 F84 I88	T65-T86 HydrophobicContact CG2-CG2 4.31Å; F84-T86 PolarHBondContact O-N 2.89Å; T86-I88 PolarHBondContact O-N 3.42Å; T86-I88 VanDerWaalsContact O-N 3.08Å
87	I	32.4	Very low	33.5	Very low	123 Å²	123	102 Å²	102	63%	0.631	58%	0.575	S	S	*	*			trans	-74	103.8	175.2	-59.1	174.7	0	0	0	106.4	P85 I132	P85-I87 PolarHBondContact O-N 3.39Å; I87-I132 HydrophobicContact CD1-CD1 4.33Å
88	I	29.5	Very low	34.3	Very low	63 Å²	63	105.3 Å²	105.3	32%	0.323	57%	0.572	S	S	.	*			trans	-71.5	126.3	169.8	-60.9	165.3	0	0	0	106.5	T86 S92 I93 R99	T86-I88 PolarHBondContact O-N 3.42Å; T86-I88 VanDerWaalsContact O-N 3.08Å; I88-S92 VanDerWaalsContact CG2-OG 3.25Å; I88-S92 WeakPolarHBondContact CG2-OG 3.39Å; I88-I93 HydrophobicContact CG2-CD1 4.22Å; I88-I93 HydrophobicContact CG2-CG1 4Å; I88-R99 HydrophobicContact CD1-CG 4.35Å; I88-R99 HydrophobicContact CG2-CG 4.45Å
89	S	33	Very low	35	Very low	44 Å²	44	105.4 Å²	105.4	31%	0.308	56%	0.563	S	S	.	*			trans	-57.3	140.1	175.5	177.6	0	0	0	0	109.7	S91 S92	S89-S91 WeakPolarHBondContact CB-OG 3.48Å; S89-S91 PolarHBondContact O-N 2.77Å; S89-S91 PolarHBondContact OG-N 2.92Å; S89-S91 PolarHBondContact OG-OG 3.02Å; S89-S92 WeakPolarHBondContact CB-OG 3.15Å; S89-S92 PolarHBondContact N-OG 2.84Å; S89-S92 PolarHBondContact O-N 2.67Å; S89-S92 PolarHBondContact O-OG 2.88Å
90	P	34.9	Very low	35.7	Very low	74 Å²	74	97.5 Å²	97.5	48%	0.481	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-56.2	-21.4	171.6	-22.1	30.9	0	0	0	113.1	S92 I93	P90-S92 PolarHBondContact O-N 2.81Å; P90-I93 PolarHBondContact O-N 3.48Å
91	S	37.9	Very low	36.6	Very low	72 Å²	72	91.3 Å²	91.3	50%	0.503	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-72.3	-9.9	173.9	63.4	0	0	0	0	114.2	S89	S89-S91 WeakPolarHBondContact CB-OG 3.48Å; S89-S91 PolarHBondContact O-N 2.77Å; S89-S91 PolarHBondContact OG-N 2.92Å; S89-S91 PolarHBondContact OG-OG 3.02Å
92	S	37.1	Very low	37	Very low	23 Å²	23	89.6 Å²	89.6	16%	0.161	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-105.7	21.2	178	23.4	0	0	0	0	111.5	I88 S89 P90 R99 L100	I88-S92 VanDerWaalsContact CG2-OG 3.25Å; I88-S92 WeakPolarHBondContact CG2-OG 3.39Å; S89-S92 WeakPolarHBondContact CB-OG 3.15Å; S89-S92 PolarHBondContact N-OG 2.84Å; S89-S92 PolarHBondContact O-N 2.67Å; S89-S92 PolarHBondContact O-OG 2.88Å; P90-S92 PolarHBondContact O-N 2.81Å; S92-R99 CarbonylContact O-C 3.48Å; S92-R99 WeakPolarHBondContact O-CA 3.43Å; S92-L100 PolarHBondContact O-N 2.98Å
93	I	40.1	Very low	37.3	Very low	66 Å²	66	85.3 Å²	85.3	34%	0.338	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-134.6	129.8	-179.9	-52.6	179.6	0	0	0	108.5	I88 P90 Q98	I88-I93 HydrophobicContact CG2-CD1 4.22Å; I88-I93 HydrophobicContact CG2-CG1 4Å; P90-I93 PolarHBondContact O-N 3.48Å; I93-Q98 CarbonylContact C-O 3.53Å; I93-Q98 WeakPolarHBondContact CA-O 3.44Å
94	D	41.7	Very low	37.6	Very low	49 Å²	49	84 Å²	84	26%	0.262	50%	0.5	S	S	.	.			trans	-72.3	175.6	175.6	81	-11.2	0	0	0	111.6	N96 G97 Q98 L100	D94-N96 PolarHBondContact O-N 2.07Å; D94-N96 VanDerWaalsContact OD1-C 3.28Å; D94-N96 VanDerWaalsContact OD1-CA 3.25Å; D94-N96 WeakPolarHBondContact OD1-CA 3.17Å; D94-N96 VanDerWaalsContact OD1-CB 3.3Å; D94-N96 WeakPolarHBondContact OD1-CB 3.46Å; D94-N96 PolarHBondContact OD1-N 3.33Å; D94-N96 PolarHBondContact OD2-ND2 3.04Å; D94-N96 VanDerWaalsContact OD2-ND2 3.07Å; D94-G97 PolarHBondContact O-N 3.47Å; D94-G97 VanDerWaalsContact O-N 3.09Å; D94-G97 PolarHBondContact OD1-N 1.98Å; D94-Q98 PolarHBondContact N-O 3.44Å; D94-Q98 WeakPolarHBondContact OD1-CB 3.42Å; D94-Q98 PolarHBondContact OD1-N 2.92Å; D94-L100 HydrophobicContact CB-CD2 3.85Å; D94-L100 HydrophobicContact CB-CG 4.44Å
95	A	41.9	Very low	37.6	Very low	111 Å²	111	85.3 Å²	85.3	92%	0.917	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-12.9	177.1	0	0	0	0	0	114
96	N	41.5	Very low	37.7	Very low	134 Å²	134	85.6 Å²	85.6	72%	0.717	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.7	-179.7	-53.3	-48.7	0	0	0	113	D94 Q98	D94-N96 PolarHBondContact O-N 2.07Å; D94-N96 VanDerWaalsContact OD1-C 3.28Å; D94-N96 VanDerWaalsContact OD1-CA 3.25Å; D94-N96 WeakPolarHBondContact OD1-CA 3.17Å; D94-N96 VanDerWaalsContact OD1-CB 3.3Å; D94-N96 WeakPolarHBondContact OD1-CB 3.46Å; D94-N96 PolarHBondContact OD1-N 3.33Å; D94-N96 PolarHBondContact OD2-ND2 3.04Å; D94-N96 VanDerWaalsContact OD2-ND2 3.07Å; N96-Q98 VanDerWaalsContact C-N 3.31Å
97	G	37.2	Very low	37.9	Very low	58 Å²	58	87.3 Å²	87.3	60%	0.598	52%	0.517	S	S	*	.	S	Bend	trans	80.9	8.9	-176.8	0	0	0	0	0	114	D94	D94-G97 PolarHBondContact O-N 3.47Å; D94-G97 VanDerWaalsContact O-N 3.09Å; D94-G97 PolarHBondContact OD1-N 1.98Å
98	Q	42.7	Very low	38.1	Very low	135 Å²	135	86 Å²	86	63%	0.631	51%	0.511	S	S	*	.			trans	-86.4	139.7	176.7	-63.8	-158.3	-7	0	0	111.3	I93 D94 N96 L100	I93-Q98 CarbonylContact C-O 3.53Å; I93-Q98 WeakPolarHBondContact CA-O 3.44Å; D94-Q98 PolarHBondContact N-O 3.44Å; D94-Q98 WeakPolarHBondContact OD1-CB 3.42Å; D94-Q98 PolarHBondContact OD1-N 2.92Å; N96-Q98 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.04Å
99	R	43.7	Very low	38.1	Very low	140 Å²	140	88.6 Å²	88.6	53%	0.528	53%	0.534	S	S	.	.	B	Isolated β-bridge	trans	-66.8	126.3	178.6	-153.3	169.1	167	-155.4	7	109.5	I88 S92 D101	I88-R99 HydrophobicContact CD1-CG 4.35Å; I88-R99 HydrophobicContact CG2-CG 4.45Å; S92-R99 CarbonylContact O-C 3.48Å; S92-R99 WeakPolarHBondContact O-CA 3.43Å; R99-D101 WeakPolarHBondContact CD-OD2 3.03Å; R99-D101 WeakPolarHBondContact CG-OD1 3.26Å; R99-D101 IonicContact CZ-OD1 3.42Å; R99-D101 IonicContact CZ-OD2 3.36Å; R99-D101 IonicContact NE-OD1 3.09Å; R99-D101 PolarHBondContact NE-OD1 3.19Å; R99-D101 VanDerWaalsContact NE-OD1 3.09Å; R99-D101 IonicContact NE-OD2 3.29Å; R99-D101 PolarHBondContact NE-OD2 3.23Å; R99-D101 IonicContact NH1-OD1 3.91Å; R99-D101 IonicContact NH1-OD2 3.09Å; R99-D101 PolarHBondContact NH1-OD2 3.03Å; R99-D101 VanDerWaalsContact NH1-OD2 3.09Å; R99-D101 IonicContact NH2-OD1 3.89Å; R99-D101 PolarHBondContact O-N 3.46Å
100	L	44.2	Very low	37.9	Very low	59 Å²	59	89.4 Å²	89.4	31%	0.309	55%	0.549	S	S	.	.			trans	-76.3	51.8	171.6	-62.9	172.7	0	0	0	109.7	S92 D94 Q98 G102 L103	S92-L100 PolarHBondContact O-N 2.98Å; D94-L100 HydrophobicContact CB-CD2 3.85Å; D94-L100 HydrophobicContact CB-CG 4.44Å; Q98-L100 PolarHBondContact O-N 3.04Å; L100-G102 PolarHBondContact O-N 3.44Å; L100-L103 HydrophobicContact CB-CD1 4.15Å; L100-L103 HydrophobicContact CD1-CD1 4.3Å; L100-L103 HydrophobicContact CD2-CD1 3.74Å; L100-L103 HydrophobicContact CG-CD1 4.28Å
101	D	47.8	Very low	37.5	Very low	110 Å²	110	95 Å²	95	59%	0.588	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	111.8	172.6	-76.2	-24.5	0	0	0	107.5	R99	R99-D101 WeakPolarHBondContact CD-OD2 3.03Å; R99-D101 WeakPolarHBondContact CG-OD1 3.26Å; R99-D101 IonicContact CZ-OD1 3.42Å; R99-D101 IonicContact CZ-OD2 3.36Å; R99-D101 IonicContact NE-OD1 3.09Å; R99-D101 PolarHBondContact NE-OD1 3.19Å; R99-D101 VanDerWaalsContact NE-OD1 3.09Å; R99-D101 IonicContact NE-OD2 3.29Å; R99-D101 PolarHBondContact NE-OD2 3.23Å; R99-D101 IonicContact NH1-OD1 3.91Å; R99-D101 IonicContact NH1-OD2 3.09Å; R99-D101 PolarHBondContact NH1-OD2 3.03Å; R99-D101 VanDerWaalsContact NH1-OD2 3.09Å; R99-D101 IonicContact NH2-OD1 3.89Å; R99-D101 PolarHBondContact O-N 3.46Å
102	G	40.6	Very low	37.1	Very low	74 Å²	74	97 Å²	97	76%	0.763	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.6	3.9	172.2	0	0	0	0	0	117.4	L100 T104	L100-G102 PolarHBondContact O-N 3.44Å; G102-T104 PolarHBondContact O-N 3.46Å
103	L	33.9	Very low	36.7	Very low	61 Å²	61	101.1 Å²	101.1	32%	0.319	61%	0.609	S	S	.	*			trans	-81.3	107.8	168.9	-70.2	176.4	0	0	0	109.7	L100 Q107 I108	L100-L103 HydrophobicContact CB-CD1 4.15Å; L100-L103 HydrophobicContact CD1-CD1 4.3Å; L100-L103 HydrophobicContact CD2-CD1 3.74Å; L100-L103 HydrophobicContact CG-CD1 4.28Å; L103-Q107 HydrophobicContact CD2-CB 4.03Å; L103-I108 HydrophobicContact CB-CD1 4.11Å; L103-I108 HydrophobicContact CB-CG1 4.14Å; L103-I108 HydrophobicContact CD1-CG1 4.42Å
104	T	35.5	Very low	36	Very low	84 Å²	84	104.1 Å²	104.1	52%	0.515	63%	0.633	S	S	.	*			trans	-56.1	147.1	169.6	50.3	0	0	0	0	110.8	G102 S106 Q107	G102-T104 PolarHBondContact O-N 3.46Å; T104-S106 PolarHBondContact O-N 3.25Å; T104-S106 PolarHBondContact OG1-OG 3.18Å; T104-Q107 PolarHBondContact O-N 3.18Å
105	D	31.8	Very low	35.4	Very low	126 Å²	126	108.7 Å²	108.7	67%	0.674	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-47	-23.8	-178.7	-71.2	-37.7	0	0	0	114.7	Q107	D105-Q107 VanDerWaalsContact C-N 3.32Å; D105-Q107 PolarHBondContact O-N 3.34Å
106	S	32.9	Very low	34.6	Very low	100 Å²	100	112 Å²	112	70%	0.699	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-70	-13.3	174	27.7	0	0	0	0	116.1	T104	T104-S106 PolarHBondContact O-N 3.25Å; T104-S106 PolarHBondContact OG1-OG 3.18Å
107	Q	35.9	Very low	33.9	Very low	127 Å²	127	112.4 Å²	112.4	59%	0.593	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-106.5	-9	-178.5	-71.8	179.8	-40.3	0	0	114.1	L103 T104 D105 S109	L103-Q107 HydrophobicContact CD2-CB 4.03Å; T104-Q107 PolarHBondContact O-N 3.18Å; D105-Q107 VanDerWaalsContact C-N 3.32Å; D105-Q107 PolarHBondContact O-N 3.34Å; Q107-S109 VanDerWaalsContact C-N 3.35Å
108	I	36.3	Very low	33.3	Very low	96 Å²	96	112.9 Å²	112.9	49%	0.492	64%	0.641	S	S	.	*			trans	-101.2	20.3	177.4	-48.2	172.1	0	0	0	110.3	L103 G110	L103-I108 HydrophobicContact CB-CD1 4.11Å; L103-I108 HydrophobicContact CB-CG1 4.14Å; L103-I108 HydrophobicContact CD1-CG1 4.42Å; I108-G110 VanDerWaalsContact C-N 3.29Å; I108-G110 PolarHBondContact O-N 3.36Å
109	S	28.8	Very low	32.4	Very low	117 Å²	117	110 Å²	110	82%	0.818	65%	0.647	S	S	*	*			trans	-91.4	64.2	170	-163.2	0	0	0	0	110	Q107	Q107-S109 VanDerWaalsContact C-N 3.35Å
110	G	29.7	Very low	31.5	Very low	61 Å²	61	109.7 Å²	109.7	63%	0.629	66%	0.656	S	S	*	*	S	Bend	trans	-116.9	123.7	166.2	0	0	0	0	0	107.7	I108 S112	I108-G110 VanDerWaalsContact C-N 3.29Å; I108-G110 PolarHBondContact O-N 3.36Å; G110-S112 PolarHBondContact O-N 3.1Å
111	E	26.7	Very low	30.6	Very low	193 Å²	193	110.5 Å²	110.5	90%	0.902	67%	0.666	S	S	*	*			trans	-26	121	-175.7	-68.9	169.4	128.4	0	0	115.1	P113	E111-P113 WeakPolarHBondContact O-CD 3.49Å
112	S	29.9	Very low	29.5	Very low	113 Å²	113	113 Å²	113	79%	0.79	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.4	164.6	-36.9	0	0	0	0	108	G110	G110-S112 PolarHBondContact O-N 3.1Å
113	P	27.6	Very low	29	Very low	110 Å²	110	112.5 Å²	112.5	71%	0.714	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-61.5	140	178.2	22.4	-30.8	0	0	0	109.9	E111 I115	E111-P113 WeakPolarHBondContact O-CD 3.49Å; P113-I115 PolarHBondContact O-N 3.39Å
114	P	25.9	Very low	28.7	Very low	129 Å²	129	121 Å²	121	84%	0.838	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-58.7	125.8	-176.4	22	-32.1	0	0	0	110.6	R116	P114-R116 PolarHBondContact O-N 3.4Å
115	I	29.3	Very low	28.6	Very low	145 Å²	145	126 Å²	126	74%	0.744	70%	0.699	S	S	*	*			trans	-69.1	114.3	174.2	-62	172.7	0	0	0	107.5	P113 T117	P113-I115 PolarHBondContact O-N 3.39Å; I115-T117 PolarHBondContact O-N 2.94Å
116	R	24.6	Very low	28.4	Very low	179 Å²	179	121 Å²	121	68%	0.675	68%	0.677	S	S	*	*			trans	-58.5	121.4	170.5	-97.4	173.9	78.2	163.8	6.5	109.5	P114 D118 C121	P114-R116 PolarHBondContact O-N 3.4Å; R116-D118 VanDerWaalsContact C-N 3.3Å; R116-D118 WeakPolarHBondContact CB-OD1 3.17Å; R116-D118 IonicContact CZ-OD2 3.13Å; R116-D118 IonicContact NE-OD1 3.71Å; R116-D118 IonicContact NE-OD2 2.84Å; R116-D118 PolarHBondContact NE-OD2 3.46Å; R116-D118 IonicContact NH2-OD2 2.66Å; R116-D118 PolarHBondContact NH2-OD2 2.8Å; R116-D118 PolarHBondContact O-N 2.91Å; R116-C121 PolarHBondContact O-SG 3.04Å; R116-C121 VanDerWaalsContact O-SG 3.34Å
117	T	26.2	Very low	28.2	Very low	143 Å²	143	119.4 Å²	119.4	88%	0.877	67%	0.671	S	S	*	*			trans	-88.6	13.2	-177.7	44.1	0	0	0	0	113.6	I115 G119	I115-T117 PolarHBondContact O-N 2.94Å; T117-G119 PolarHBondContact O-N 3.47Å; T117-G119 VanDerWaalsContact O-N 3.12Å
118	D	25.2	Very low	28.1	Very low	69 Å²	69	117.1 Å²	117.1	37%	0.369	66%	0.663	S	S	.	*	S	Bend	trans	-84.3	23.6	-170	61.5	-13.6	0	0	0	114.7	R116 N120	R116-D118 VanDerWaalsContact C-N 3.3Å; R116-D118 WeakPolarHBondContact CB-OD1 3.17Å; R116-D118 IonicContact CZ-OD2 3.13Å; R116-D118 IonicContact NE-OD1 3.71Å; R116-D118 IonicContact NE-OD2 2.84Å; R116-D118 PolarHBondContact NE-OD2 3.46Å; R116-D118 IonicContact NH2-OD2 2.66Å; R116-D118 PolarHBondContact NH2-OD2 2.8Å; R116-D118 PolarHBondContact O-N 2.91Å; D118-N120 PolarHBondContact O-N 3.35Å
119	G	23.9	Very low	28.1	Very low	73 Å²	73	116.5 Å²	116.5	75%	0.753	66%	0.656	S	S	*	*	S	Bend	trans	67	-5.6	175.2	0	0	0	0	0	115.5	T117 C121	T117-G119 PolarHBondContact O-N 3.47Å; T117-G119 VanDerWaalsContact O-N 3.12Å; G119-C121 VanDerWaalsContact C-N 3.31Å; G119-C121 PolarHBondContact O-N 3.04Å
120	N	24.8	Very low	28.3	Very low	134 Å²	134	116 Å²	116	72%	0.717	64%	0.64	S	S	*	*			trans	-95.7	28.5	179.5	-75.6	-32.1	0	0	0	113.1	D118 L122	D118-N120 PolarHBondContact O-N 3.35Å; N120-L122 PolarHBondContact O-N 3.26Å
121	C	24.8	Very low	28.6	Very low	77 Å²	77	116 Å²	116	52%	0.52	63%	0.633	S	S	.	*			trans	-74.5	78.1	170.1	-70.4	0	0	0	0	109.4	R116 G119 P123	R116-C121 PolarHBondContact O-SG 3.04Å; R116-C121 VanDerWaalsContact O-SG 3.34Å; G119-C121 VanDerWaalsContact C-N 3.31Å; G119-C121 PolarHBondContact O-N 3.04Å; C121-P123 VanDerWaalsContact C-N 3.33Å; C121-P123 WeakPolarHBondContact O-CD 3.19Å
122	L	25.2	Very low	29.2	Very low	162 Å²	162	110.4 Å²	110.4	85%	0.848	61%	0.609	S	S	*	*			trans	-71.1	101.7	144.9	-113.3	154.9	0	0	0	104.2	N120 R124	N120-L122 PolarHBondContact O-N 3.26Å; L122-R124 PolarHBondContact O-N 3.34Å
123	P	29.9	Very low	29.6	Very low	64 Å²	64	107.8 Å²	107.8	42%	0.416	59%	0.586	S	S	.	*			trans	-63.6	141.3	-170.4	28.7	-34.1	0	0	0	107.8	C121 R125 G126	C121-P123 VanDerWaalsContact C-N 3.33Å; C121-P123 WeakPolarHBondContact O-CD 3.19Å; P123-R125 HydrophobicContact CB-CB 3.76Å; P123-R125 HydrophobicContact CB-CG 3.84Å; P123-R125 HydrophobicContact CG-CB 3.88Å; P123-R125 HydrophobicContact CG-CG 4.41Å; P123-R125 PolarHBondContact O-N 2.99Å; P123-G126 PolarHBondContact O-N 2.9Å
124	R	28.5	Very low	30.2	Very low	239 Å²	239	105 Å²	105	90%	0.902	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.8	-19.5	164	-85	-178.7	171.4	-158.6	-1.7	112.7	L122 G126 A127	L122-R124 PolarHBondContact O-N 3.34Å; R124-G126 PolarHBondContact O-N 2.93Å; R124-G126 VanDerWaalsContact O-N 3.13Å; R124-A127 WeakPolarHBondContact O-CB 3.36Å; R124-A127 PolarHBondContact O-N 3.08Å
125	R	31.8	Very low	30.8	Very low	188 Å²	188	104.6 Å²	104.6	71%	0.709	56%	0.555	S	S	*	*	H	α-helix	trans	-53.5	-19.3	166.9	-57.2	178.2	-178.2	-170.3	-1	115.1	P123 F129	P123-R125 HydrophobicContact CB-CB 3.76Å; P123-R125 HydrophobicContact CB-CG 3.84Å; P123-R125 HydrophobicContact CG-CB 3.88Å; P123-R125 HydrophobicContact CG-CG 4.41Å; P123-R125 PolarHBondContact O-N 2.99Å; R125-F129 WeakPolarHBondContact O-CB 3.14Å; R125-F129 PolarHBondContact O-N 3.31Å
126	G	28.6	Very low	31.2	Very low	21 Å²	21	101.2 Å²	101.2	22%	0.216	54%	0.539	C	S	.	.	H	α-helix	trans	-68.3	-32.3	172	0	0	0	0	0	113	P123 R124 F129 F130	P123-G126 PolarHBondContact O-N 2.9Å; R124-G126 PolarHBondContact O-N 2.93Å; R124-G126 VanDerWaalsContact O-N 3.13Å; G126-F129 WeakPolarHBondContact O-CB 3.35Å; G126-F129 PolarHBondContact O-N 3.27Å; G126-F130 WeakPolarHBondContact O-CD2 3.43Å; G126-F130 PolarHBondContact O-N 3.04Å
127	A	28.2	Very low	31.7	Very low	68 Å²	68	102.5 Å²	102.5	56%	0.562	54%	0.543	S	S	*	.	H	α-helix	trans	-69	-42.8	-179.6	0	0	0	0	0	111.8	R124 F129 F130 A131	R124-A127 WeakPolarHBondContact O-CB 3.36Å; R124-A127 PolarHBondContact O-N 3.08Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 PolarHBondContact O-N 3.36Å; A127-F130 PolarHBondContact O-N 3.08Å; A127-A131 PolarHBondContact O-N 3.46Å; A127-A131 VanDerWaalsContact O-N 3.11Å
128	D	34.6	Very low	32.2	Very low	79 Å²	79	105.3 Å²	105.3	42%	0.422	54%	0.538	S	S	.	.	H	α-helix	trans	-64.8	-34.8	174.5	-56	-34.8	0	0	0	111.2	A131 I132	D128-A131 PolarHBondContact O-N 3.17Å; D128-I132 WeakPolarHBondContact O-CG1 3.29Å; D128-I132 PolarHBondContact O-N 3.47Å
129	F	35.3	Very low	32.5	Very low	82 Å²	82	104.3 Å²	104.3	36%	0.36	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-38.7	176.1	-173.2	-101.1	0	0	0	112.9	V21 L25 R125 G126 A127 A131 L133	V21-F129 HydrophobicContact CG1-CE1 4.1Å; V21-F129 HydrophobicContact CG1-CZ 4.16Å; L25-F129 HydrophobicContact CD1-CE1 4.36Å; L25-F129 HydrophobicContact CD1-CE2 4.2Å; L25-F129 HydrophobicContact CD1-CZ 3.49Å; L25-F129 VanDerWaalsContact CD1-CZ 3.49Å; R125-F129 WeakPolarHBondContact O-CB 3.14Å; R125-F129 PolarHBondContact O-N 3.31Å; G126-F129 WeakPolarHBondContact O-CB 3.35Å; G126-F129 PolarHBondContact O-N 3.27Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 PolarHBondContact O-N 3.36Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-L133 HydrophobicContact CD1-CD1 3.84Å; F129-L133 HydrophobicContact CE1-CD1 3.41Å; F129-L133 VanDerWaalsContact CE1-CD1 3.41Å; F129-L133 HydrophobicContact CE1-CG 4.34Å; F129-L133 HydrophobicContact CZ-CD1 3.95Å; F129-L133 HydrophobicContact CZ-CG 4.49Å; F129-L133 WeakPolarHBondContact O-CG 3.26Å; F129-L133 PolarHBondContact O-N 3.14Å
130	F	33	Very low	32.8	Very low	108 Å²	108	109.2 Å²	109.2	47%	0.474	54%	0.537	S	S	.	.	H	α-helix	trans	-67.3	-32.5	172.5	-87	-72.5	0	0	0	112.6	G126 A127 S134	G126-F130 WeakPolarHBondContact O-CD2 3.43Å; G126-F130 PolarHBondContact O-N 3.04Å; A127-F130 PolarHBondContact O-N 3.08Å; F130-S134 VanDerWaalsContact O-CB 3.29Å; F130-S134 WeakPolarHBondContact O-CB 3.48Å; F130-S134 PolarHBondContact O-N 3.23Å
131	A	36	Very low	33	Very low	59 Å²	59	108 Å²	108	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-43.9	176.2	0	0	0	0	0	112	A127 D128 F129 S134 H135	A127-A131 PolarHBondContact O-N 3.46Å; A127-A131 VanDerWaalsContact O-N 3.11Å; D128-A131 PolarHBondContact O-N 3.17Å; F129-A131 VanDerWaalsContact C-N 3.34Å; A131-S134 PolarHBondContact O-N 3.35Å; A131-H135 PolarHBondContact O-N 2.79Å
132	I	39.9	Very low	33.2	Very low	77 Å²	77	107.2 Å²	107.2	40%	0.395	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-44.7	176.2	-65.1	166.7	0	0	0	111	I87 D128 H135 L136	I87-I132 HydrophobicContact CD1-CD1 4.33Å; D128-I132 WeakPolarHBondContact O-CG1 3.29Å; D128-I132 PolarHBondContact O-N 3.47Å; I132-H135 PolarHBondContact O-N 3.13Å; I132-L136 HydrophobicContact CG2-CD1 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.06Å; I132-L136 PolarHBondContact O-N 3.3Å
133	L	38.9	Very low	33.3	Very low	58 Å²	58	101.7 Å²	101.7	30%	0.304	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-39	178	-73.1	172.2	0	0	0	112.7	V21 F129 H135 L136 R137	V21-L133 HydrophobicContact CG1-CD1 4.24Å; F129-L133 HydrophobicContact CD1-CD1 3.84Å; F129-L133 HydrophobicContact CE1-CD1 3.41Å; F129-L133 VanDerWaalsContact CE1-CD1 3.41Å; F129-L133 HydrophobicContact CE1-CG 4.34Å; F129-L133 HydrophobicContact CZ-CD1 3.95Å; F129-L133 HydrophobicContact CZ-CG 4.49Å; F129-L133 WeakPolarHBondContact O-CG 3.26Å; F129-L133 PolarHBondContact O-N 3.14Å; L133-H135 VanDerWaalsContact C-N 3.27Å; L133-H135 PolarHBondContact O-N 2.91Å; L133-L136 PolarHBondContact O-N 2.68Å; L133-R137 WeakPolarHBondContact O-CB 3.47Å; L133-R137 PolarHBondContact O-N 2.95Å
134	S	40.2	Very low	33.4	Very low	50 Å²	50	105.3 Å²	105.3	35%	0.35	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-38.7	172.8	-174.7	0	0	0	0	111	F130 A131 R137 R138	F130-S134 VanDerWaalsContact O-CB 3.29Å; F130-S134 WeakPolarHBondContact O-CB 3.48Å; F130-S134 PolarHBondContact O-N 3.23Å; A131-S134 PolarHBondContact O-N 3.35Å; S134-R137 PolarHBondContact O-N 3.45Å; S134-R138 WeakPolarHBondContact O-CB 3.14Å; S134-R138 VanDerWaalsContact O-CG 3.26Å; S134-R138 WeakPolarHBondContact O-CG 3.44Å; S134-R138 PolarHBondContact O-N 2.93Å
135	H	37.9	Very low	33.3	Very low	121 Å²	121	104 Å²	104	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-69.5	-42.3	178.6	-152.5	3.3	0	0	0	112.6	A131 I132 L133 R137 R138 S139	A131-H135 PolarHBondContact O-N 2.79Å; I132-H135 PolarHBondContact O-N 3.13Å; L133-H135 VanDerWaalsContact C-N 3.27Å; L133-H135 PolarHBondContact O-N 2.91Å; H135-R137 VanDerWaalsContact C-N 3.31Å; H135-R137 PolarHBondContact O-N 3.35Å; H135-R138 PolarHBondContact O-N 3.3Å; H135-S139 WeakPolarHBondContact O-CB 3.37Å; H135-S139 PolarHBondContact O-N 3.15Å; H135-S139 PolarHBondContact O-OG 3.32Å
136	L	36.8	Very low	33.1	Very low	75 Å²	75	101.7 Å²	101.7	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-34.1	174.9	-70.4	171.3	0	0	0	113	I132 L133 S139	I132-L136 HydrophobicContact CG2-CD1 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.06Å; I132-L136 PolarHBondContact O-N 3.3Å; L133-L136 PolarHBondContact O-N 2.68Å; L136-S139 PolarHBondContact O-OG 2.84Å; L136-S139 VanDerWaalsContact O-OG 3.13Å
137	R	35.5	Very low	32.9	Very low	206 Å²	206	111.4 Å²	111.4	78%	0.777	54%	0.535	S	S	*	.	H	α-helix	trans	-73.7	-33.3	175.6	-161.1	177.1	-175.4	165.9	3.6	112.1	L133 S134 H135	L133-R137 WeakPolarHBondContact O-CB 3.47Å; L133-R137 PolarHBondContact O-N 2.95Å; S134-R137 PolarHBondContact O-N 3.45Å; H135-R137 VanDerWaalsContact C-N 3.31Å; H135-R137 PolarHBondContact O-N 3.35Å
138	R	37.6	Very low	32.8	Very low	202 Å²	202	118.3 Å²	118.3	76%	0.762	55%	0.547	S	S	*	.	H	α-helix	trans	-77.8	-31.2	178.2	-75.5	177	-176.6	-159.6	0	113.5	S134 H135 K140	S134-R138 WeakPolarHBondContact O-CB 3.14Å; S134-R138 VanDerWaalsContact O-CG 3.26Å; S134-R138 WeakPolarHBondContact O-CG 3.44Å; S134-R138 PolarHBondContact O-N 2.93Å; H135-R138 PolarHBondContact O-N 3.3Å; R138-K140 PolarHBondContact O-N 3.02Å
139	S	30.9	Very low	32.4	Very low	47 Å²	47	120.6 Å²	120.6	33%	0.329	57%	0.566	S	S	.	*	S	Bend	trans	-75.3	-1.5	-176.1	57	0	0	0	0	114.5	H135 L136 L141	H135-S139 WeakPolarHBondContact O-CB 3.37Å; H135-S139 PolarHBondContact O-N 3.15Å; H135-S139 PolarHBondContact O-OG 3.32Å; L136-S139 PolarHBondContact O-OG 2.84Å; L136-S139 VanDerWaalsContact O-OG 3.13Å; S139-L141 PolarHBondContact O-N 3.38Å; S139-L141 WeakPolarHBondContact OG-CD1 3.35Å
140	K	30.2	Very low	31.9	Very low	176 Å²	176	127 Å²	127	77%	0.765	59%	0.588	S	S	*	*			trans	53.2	11.5	-172.8	-62.7	-177	178.8	177.9	0	114	R138 A142	R138-K140 PolarHBondContact O-N 3.02Å; K140-A142 PolarHBondContact O-N 3.2Å; K140-A142 VanDerWaalsContact O-N 3.15Å
141	L	28.5	Very low	31.5	Very low	110 Å²	110	134.3 Å²	134.3	58%	0.576	61%	0.612	S	S	*	*			trans	-73.2	-4.6	-174.6	-77.7	168.5	0	0	0	113.4	S139	S139-L141 PolarHBondContact O-N 3.38Å; S139-L141 WeakPolarHBondContact OG-CD1 3.35Å
142	A	29.6	Very low	31	Very low	60 Å²	60	138.8 Å²	138.8	50%	0.496	62%	0.623	S	S	.	*			trans	-148.1	126.8	178.7	0	0	0	0	0	112.1	K140	K140-A142 PolarHBondContact O-N 3.2Å; K140-A142 VanDerWaalsContact O-N 3.15Å
143	S	28.4	Very low	30.3	Very low	46 Å²	46	139.4 Å²	139.4	32%	0.322	63%	0.633	S	S	.	*	B	Isolated β-bridge	trans	-105.5	105.7	162.9	153.6	0	0	0	0	108.2	R145	S143-R145 PolarHBondContact O-N 2.67Å
144	I	30.3	Very low	29.7	Very low	139 Å²	139	144 Å²	144	71%	0.713	65%	0.653	S	S	*	*			trans	-82	105	173.6	-57.6	174.1	0	0	0	107.9
145	R	27.8	Very low	29.2	Very low	213 Å²	213	149.4 Å²	149.4	80%	0.804	68%	0.677	S	S	*	*			trans	-104	119.4	170.9	-73.3	-174.3	-175.1	-169.3	1	110	S143	S143-R145 PolarHBondContact O-N 2.67Å
146	Y	26.2	Very low	28.6	Very low	138 Å²	138	147.6 Å²	147.6	54%	0.541	67%	0.674	S	S	.	*			trans	-89	116.4	175.8	-140.1	-88.3	0	0	0	109.5	R148	Y146-R148 HydrophobicContact CD1-CG 4.07Å; Y146-R148 HydrophobicContact CE1-CG 3.97Å
147	R	24.4	Very low	28.1	Very low	226 Å²	226	148.5 Å²	148.5	85%	0.853	69%	0.687	S	S	*	*			trans	-109	121.3	165.9	-91.1	-175.4	173.4	-179.7	-1.7	109.1
148	R	27.1	Very low	27.7	Very low	212 Å²	212	147.2 Å²	147.2	80%	0.8	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	147.3	162.7	-70.2	-167.9	-177.6	-166.3	1.5	108.8	Y146	Y146-R148 HydrophobicContact CD1-CG 4.07Å; Y146-R148 HydrophobicContact CE1-CG 3.97Å
149	P	26.2	Very low	27.2	Very low	128 Å²	128	144.5 Å²	144.5	83%	0.831	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	cis	-125	87.3	10.8	36.6	-17.4	0	0	0	112.7
150	R	24.6	Very low	27	Very low	215 Å²	215	149.6 Å²	149.6	81%	0.811	71%	0.71	S	S	*	*	S	Bend	trans	-142.8	135	152	-77	-167.6	170.2	171.3	-3	106.5	Q152	R150-Q152 PolarHBondContact O-N 3.45Å
151	R	25.7	Very low	26.8	Very low	262 Å²	262	148.2 Å²	148.2	99%	0.989	71%	0.707	S	S	*	*	S	Bend	trans	-69.1	56	-174.6	-67.6	178.7	173.3	178.8	-2.4	112.7
152	Q	24.8	Very low	26.7	Very low	153 Å²	153	150.4 Å²	150.4	72%	0.715	71%	0.714	S	S	*	*			trans	-130.3	119.6	178.9	-74.8	175.7	-22.8	0	0	108.2	R150	R150-Q152 PolarHBondContact O-N 3.45Å
153	C	25.6	Very low	26.5	Very low	90 Å²	90	156.1 Å²	156.1	61%	0.608	73%	0.728	S	S	*	*			trans	-97.3	114.4	165.6	-68.1	0	0	0	0	106.4
154	E	25.7	Very low	26.4	Very low	155 Å²	155	163.4 Å²	163.4	72%	0.724	76%	0.755	S	S	*	*			trans	-91.5	129.3	167.9	-81.4	-179.5	148.2	0	0	108.8	V156	E154-V156 HydrophobicContact CB-CG2 4.39Å; E154-V156 PolarHBondContact O-N 2.73Å
155	I	28.9	Very low	26.1	Very low	164 Å²	164	165.1 Å²	165.1	84%	0.841	76%	0.758	S	S	*	*			trans	-82.4	108.4	162.1	-61.8	174.5	0	0	0	105.8
156	V	25.5	Very low	26	Very low	83 Å²	83	161.5 Å²	161.5	50%	0.503	76%	0.755	S	S	.	*	B	Isolated β-bridge	trans	-90.6	110.5	171.4	-171.8	0	0	0	0	106.7	E154	E154-V156 HydrophobicContact CB-CG2 4.39Å; E154-V156 PolarHBondContact O-N 2.73Å
157	S	26.9	Very low	25.9	Very low	94 Å²	94	163.4 Å²	163.4	66%	0.657	77%	0.772	S	S	*	*			trans	-60.1	133.6	160.9	-174.3	0	0	0	0	107.5
158	L	26	Very low	26.1	Very low	179 Å²	179	157.7 Å²	157.7	94%	0.937	77%	0.765	S	S	*	*			trans	-63.8	0	159.3	-76.8	165.9	0	0	0	109.6

Retrieved 158 of 158 residues in 77.9 ms (Link to these results)

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