A0A077ZDX8_TRITR Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	76.6	Confident	235 Å²	235	81.6 Å²	81.6	100%	1.158	45%	0.446	S	S	*	.				0	105.9	0	-68.7	-70	171	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 2.89Å
2	S	51.3	Low	77.4	Confident	76 Å²	76	76.8 Å²	76.8	53%	0.531	42%	0.416	S	S	.	.			trans	-78.8	108.2	168.9	42.5	0	0	0	0	107.4	S4	S2-S4 PolarHBondContact O-N 3.4Å
3	S	62.3	Low	78	Confident	67 Å²	67	75.2 Å²	75.2	47%	0.469	40%	0.401	S	S	.	.			trans	-66.9	119.8	178.3	-22.4	0	0	0	0	107.4	M1 G5 D6	M1-S3 PolarHBondContact O-N 2.89Å; S3-G5 PolarHBondContact O-N 2.88Å; S3-D6 WeakPolarHBondContact CB-OD2 3.3Å; S3-D6 PolarHBondContact N-OD2 3.07Å; S3-D6 PolarHBondContact O-N 3.25Å; S3-D6 PolarHBondContact OG-OD2 2.81Å
4	S	66.1	Low	78.5	Confident	130 Å²	130	74.3 Å²	74.3	91%	0.909	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	100	179.4	19.6	0	0	0	0	109.5	S2	S2-S4 PolarHBondContact O-N 3.4Å
5	G	81.1	Confident	79.1	Confident	29 Å²	29	82.9 Å²	82.9	30%	0.299	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	133.1	-11.8	-176.1	0	0	0	0	0	114.9	S3 R25 H54	S3-G5 PolarHBondContact O-N 2.88Å; G5-R25 PolarHBondContact O-NH1 3.4Å; G5-H54 WeakPolarHBondContact O-CB 3.2Å; G5-H54 PolarHBondContact O-ND1 3.25Å
6	D	87.9	Confident	80	Confident	31 Å²	31	79.1 Å²	79.1	17%	0.166	42%	0.418	C	S	.	.			trans	-68.8	146.6	177.5	-66.9	-18.1	0	0	0	111.8	S3 F24 R25 W40	S3-D6 WeakPolarHBondContact CB-OD2 3.3Å; S3-D6 PolarHBondContact N-OD2 3.07Å; S3-D6 PolarHBondContact O-N 3.25Å; S3-D6 PolarHBondContact OG-OD2 2.81Å; D6-F24 HydrophobicContact CB-CD1 4.47Å; D6-R25 WeakPolarHBondContact O-CB 2.81Å; D6-R25 PolarHBondContact O-N 3.47Å; D6-W40 WeakPolarHBondContact OD1-CZ2 3.49Å; D6-W40 PolarHBondContact OD1-NE1 3.44Å
7	D	89.8	Confident	80.7	Confident	9 Å²	9	81 Å²	81	5%	0.048	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-72.1	139	179.8	-88.4	-29.7	0	0	0	112.8	Y9 Y12 R25 R53 H54 M55	D7-Y9 PolarHBondContact O-N 3.42Å; D7-Y12 HydrophobicContact CB-CD2 4Å; D7-Y12 HydrophobicContact CB-CE2 3.44Å; D7-Y12 VanDerWaalsContact CB-CE2 3.44Å; D7-Y12 VanDerWaalsContact CG-OH 3.26Å; D7-Y12 VanDerWaalsContact OD1-CE2 3.22Å; D7-Y12 WeakPolarHBondContact OD1-CE2 3.44Å; D7-Y12 VanDerWaalsContact OD1-CZ 3.28Å; D7-Y12 PolarHBondContact OD1-OH 3.32Å; D7-R25 VanDerWaalsContact CG-NH1 3.28Å; D7-R25 IonicContact OD1-CZ 2.97Å; D7-R25 IonicContact OD1-NE 3.67Å; D7-R25 IonicContact OD1-NH1 2.71Å; D7-R25 PolarHBondContact OD1-NH1 3.29Å; D7-R25 IonicContact OD1-NH2 3.28Å; D7-R25 PolarHBondContact OD1-NH2 2.98Å; D7-R25 IonicContact OD2-NH1 3.6Å; D7-R25 IonicContact OD2-NH2 3.8Å; D7-R53 VanDerWaalsContact CG-NH1 3.25Å; D7-R53 VanDerWaalsContact OD2-CA 3.28Å; D7-R53 WeakPolarHBondContact OD2-CA 3.22Å; D7-R53 IonicContact OD2-CZ 3.81Å; D7-R53 IonicContact OD2-NH1 2.8Å; D7-R53 PolarHBondContact OD2-NH1 2.64Å; D7-H54 PolarHBondContact N-O 2.89Å; D7-H54 PolarHBondContact OD2-N 3.37Å; D7-M55 HydrophobicContact CB-CE 3.36Å
8	C	91.5	Very high	81.3	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.014	45%	0.454	C	S	.	.			trans	-69.4	107.8	175.1	-175.8	0	0	0	0	111.1	F10 Y11 Y12 C16 F24 R25 H26	C8-F10 PolarHBondContact O-N 3.14Å; C8-F10 VanDerWaalsContact O-N 3.1Å; C8-Y11 WeakPolarHBondContact O-CB 3.36Å; C8-Y11 PolarHBondContact O-N 3.44Å; C8-Y12 WeakPolarHBondContact O-CD2 3.37Å; C8-Y12 PolarHBondContact O-N 3.47Å; C8-C16 VanDerWaalsContact SG-SG 3.7Å; C8-F24 VanDerWaalsContact CA-CB 3.49Å; C8-F24 HydrophobicContact CB-CB 3.52Å; C8-F24 HydrophobicContact CB-CG 4.46Å; C8-R25 PolarHBondContact N-O 3.34Å; C8-H26 WeakPolarHBondContact CB-CD2 3.44Å; C8-H26 VanDerWaalsContact CB-NE2 3.31Å; C8-H26 WeakPolarHBondContact CB-NE2 3.39Å; C8-H26 PolarHBondContact SG-NE2 3.22Å
9	Y	89.2	Confident	81.6	Confident	137 Å²	137	81.2 Å²	81.2	54%	0.537	45%	0.45	S	S	.	.	H	α-helix	trans	-46.3	-46.4	176.7	-175.5	-87.9	0	0	0	112.9	D7 Y11 Y12 Y13	D7-Y9 PolarHBondContact O-N 3.42Å; Y9-Y11 PolarHBondContact O-N 3.44Å; Y9-Y12 PolarHBondContact O-N 3.36Å; Y9-Y13 AromaticContact CD1-CD2 3.96Å; Y9-Y13 HydrophobicContact CD1-CD2 3.96Å; Y9-Y13 AromaticContact CD2-CD2 3.5Å; Y9-Y13 HydrophobicContact CD2-CD2 3.5Å; Y9-Y13 AromaticContact CD2-CE2 3.48Å; Y9-Y13 HydrophobicContact CD2-CE2 3.48Å; Y9-Y13 VanDerWaalsContact CD2-CE2 3.48Å; Y9-Y13 AromaticContact CE1-CD2 3.81Å; Y9-Y13 HydrophobicContact CE1-CD2 3.81Å; Y9-Y13 AromaticContact CE2-CD2 3.36Å; Y9-Y13 HydrophobicContact CE2-CD2 3.36Å; Y9-Y13 AromaticContact CE2-CE2 3.39Å; Y9-Y13 HydrophobicContact CE2-CE2 3.39Å; Y9-Y13 HydrophobicContact CE2-CG 4.5Å; Y9-Y13 AromaticContact CG-CD2 3.79Å; Y9-Y13 HydrophobicContact CG-CD2 3.79Å; Y9-Y13 HydrophobicContact CG-CE2 4.19Å; Y9-Y13 AromaticContact CZ-CD2 3.52Å; Y9-Y13 VanDerWaalsContact O-CD2 3.22Å; Y9-Y13 WeakPolarHBondContact O-CD2 3.4Å; Y9-Y13 PolarHBondContact O-N 3.13Å; Y9-Y13 VanDerWaalsContact O-N 3.14Å
10	F	90.8	Very high	81.8	Confident	128 Å²	128	82.7 Å²	82.7	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-68.2	-31.4	-178.6	-63.1	-71.8	0	0	0	114	C8 Y12 S14 K15 C16	C8-F10 PolarHBondContact O-N 3.14Å; C8-F10 VanDerWaalsContact O-N 3.1Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; F10-S14 WeakPolarHBondContact CA-OG 3.38Å; F10-S14 CarbonylContact O-C 3.59Å; F10-S14 WeakPolarHBondContact O-CA 3.21Å; F10-S14 WeakPolarHBondContact O-CB 3.3Å; F10-S14 PolarHBondContact O-N 3.4Å; F10-S14 PolarHBondContact O-OG 3.43Å; F10-K15 PolarHBondContact O-N 3.27Å; F10-C16 HydrophobicContact CB-CB 4.31Å
11	Y	89.9	Confident	82.1	Confident	54 Å²	54	90 Å²	90	21%	0.212	49%	0.493	C	S	.	.	H	α-helix	trans	-68	-36.3	178.7	177.5	-101.9	0	0	0	112.3	C8 Y9 H26 L31	C8-Y11 WeakPolarHBondContact O-CB 3.36Å; C8-Y11 PolarHBondContact O-N 3.44Å; Y9-Y11 PolarHBondContact O-N 3.44Å; Y11-H26 WeakPolarHBondContact CB-CD2 3.39Å; Y11-H26 HydrophobicContact CD1-CB 4.04Å; Y11-H26 HydrophobicContact CD2-CB 3.86Å; Y11-H26 AromaticContact CD2-CD2 3.72Å; Y11-H26 AromaticContact CD2-CG 3.52Å; Y11-H26 AromaticContact CD2-ND1 3.77Å; Y11-H26 HydrophobicContact CE1-CB 4Å; Y11-H26 HydrophobicContact CE2-CB 3.82Å; Y11-H26 AromaticContact CE2-CG 3.96Å; Y11-H26 HydrophobicContact CG-CB 3.97Å; Y11-H26 AromaticContact CG-CD2 3.45Å; Y11-H26 VanDerWaalsContact CG-CD2 3.45Å; Y11-H26 AromaticContact CG-CG 3.66Å; Y11-L31 HydrophobicContact CE1-CD1 3.74Å; Y11-L31 HydrophobicContact CE1-CD2 4.43Å; Y11-L31 HydrophobicContact CE1-CG 3.89Å; Y11-L31 WeakPolarHBondContact OH-CD1 3.4Å
12	Y	87	Confident	84.3	Confident	23 Å²	23	79.8 Å²	79.8	9%	0.09	44%	0.444	C	S	.	.	H	α-helix	trans	-89.3	-29.4	-175.7	-68.2	-85.1	0	0	0	114	D7 C8 Y9 F10 S27 A30 L31 R53 M55	D7-Y12 HydrophobicContact CB-CD2 4Å; D7-Y12 HydrophobicContact CB-CE2 3.44Å; D7-Y12 VanDerWaalsContact CB-CE2 3.44Å; D7-Y12 VanDerWaalsContact CG-OH 3.26Å; D7-Y12 VanDerWaalsContact OD1-CE2 3.22Å; D7-Y12 WeakPolarHBondContact OD1-CE2 3.44Å; D7-Y12 VanDerWaalsContact OD1-CZ 3.28Å; D7-Y12 PolarHBondContact OD1-OH 3.32Å; C8-Y12 WeakPolarHBondContact O-CD2 3.37Å; C8-Y12 PolarHBondContact O-N 3.47Å; Y9-Y12 PolarHBondContact O-N 3.36Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; Y12-S27 VanDerWaalsContact OH-CB 3.31Å; Y12-S27 WeakPolarHBondContact OH-CB 3.32Å; Y12-S27 PolarHBondContact OH-N 3.36Å; Y12-S27 PolarHBondContact OH-O 2.62Å; Y12-A30 HydrophobicContact CE1-CB 3.68Å; Y12-A30 WeakPolarHBondContact OH-CB 3.47Å; Y12-L31 HydrophobicContact CD1-CD2 4.07Å; Y12-L31 HydrophobicContact CD1-CG 4.19Å; Y12-L31 HydrophobicContact CE1-CG 4.37Å; Y12-R53 VanDerWaalsContact CE1-NH1 3.28Å; Y12-R53 VanDerWaalsContact CG-NH2 3.33Å; Y12-M55 HydrophobicContact CD2-CE 4.41Å
13	Y	85	Confident	86.1	Confident	56 Å²	56	80.5 Å²	80.5	22%	0.22	45%	0.448	C	S	.	.	H	α-helix	trans	-104.6	-13.2	-179.3	-57.2	-55.7	0	0	0	113.7	Y9 M55 R61 L81	Y9-Y13 AromaticContact CD1-CD2 3.96Å; Y9-Y13 HydrophobicContact CD1-CD2 3.96Å; Y9-Y13 AromaticContact CD2-CD2 3.5Å; Y9-Y13 HydrophobicContact CD2-CD2 3.5Å; Y9-Y13 AromaticContact CD2-CE2 3.48Å; Y9-Y13 HydrophobicContact CD2-CE2 3.48Å; Y9-Y13 VanDerWaalsContact CD2-CE2 3.48Å; Y9-Y13 AromaticContact CE1-CD2 3.81Å; Y9-Y13 HydrophobicContact CE1-CD2 3.81Å; Y9-Y13 AromaticContact CE2-CD2 3.36Å; Y9-Y13 HydrophobicContact CE2-CD2 3.36Å; Y9-Y13 AromaticContact CE2-CE2 3.39Å; Y9-Y13 HydrophobicContact CE2-CE2 3.39Å; Y9-Y13 HydrophobicContact CE2-CG 4.5Å; Y9-Y13 AromaticContact CG-CD2 3.79Å; Y9-Y13 HydrophobicContact CG-CD2 3.79Å; Y9-Y13 HydrophobicContact CG-CE2 4.19Å; Y9-Y13 AromaticContact CZ-CD2 3.52Å; Y9-Y13 VanDerWaalsContact O-CD2 3.22Å; Y9-Y13 WeakPolarHBondContact O-CD2 3.4Å; Y9-Y13 PolarHBondContact O-N 3.13Å; Y9-Y13 VanDerWaalsContact O-N 3.14Å; Y13-M55 HydrophobicContact CE2-CE 4.48Å; Y13-M55 HydrophobicContact CE2-SD 4.04Å; Y13-R61 VanDerWaalsContact CD1-NH2 3.29Å; Y13-L81 HydrophobicContact CE1-CD1 4.44Å
14	S	85.3	Confident	87.4	Confident	63 Å²	63	80.8 Å²	80.8	44%	0.441	44%	0.441	S	S	.	.	S	Bend	trans	-151.4	-154.6	-178.1	69.2	0	0	0	0	110.2	F10	F10-S14 WeakPolarHBondContact CA-OG 3.38Å; F10-S14 CarbonylContact O-C 3.59Å; F10-S14 WeakPolarHBondContact O-CA 3.21Å; F10-S14 WeakPolarHBondContact O-CB 3.3Å; F10-S14 PolarHBondContact O-N 3.4Å; F10-S14 PolarHBondContact O-OG 3.43Å
15	K	87.7	Confident	88.5	Confident	203 Å²	203	75.8 Å²	75.8	88%	0.883	40%	0.403	S	S	*	.			trans	-107.6	122.1	170.2	-65.6	-178.1	179.8	-178.6	0	108.8	F10 A17	F10-K15 PolarHBondContact O-N 3.27Å; K15-A17 PolarHBondContact O-N 3.4Å
16	C	92.8	Very high	89	Confident	23 Å²	23	77 Å²	77	16%	0.155	40%	0.4	C	S	.	.			trans	-73.3	118.1	178.5	-176.6	0	0	0	0	111.1	C8 F10 K18 G19 H26	C8-C16 VanDerWaalsContact SG-SG 3.7Å; F10-C16 HydrophobicContact CB-CB 4.31Å; C16-K18 VanDerWaalsContact C-N 3.26Å; C16-K18 PolarHBondContact O-N 3.35Å; C16-G19 PolarHBondContact O-N 2.95Å; C16-H26 VanDerWaalsContact SG-CE1 3.52Å; C16-H26 PolarHBondContact SG-NE2 3.17Å; C16-H26 VanDerWaalsContact SG-NE2 3.44Å
17	A	92.1	Very high	89.1	Confident	111 Å²	111	75.5 Å²	75.5	92%	0.917	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.9	178.7	0	0	0	0	0	113.9	K15 G19	K15-A17 PolarHBondContact O-N 3.4Å; A17-G19 VanDerWaalsContact C-N 3.3Å; A17-G19 PolarHBondContact O-N 2.78Å
18	K	91.3	Very high	88.9	Confident	129 Å²	129	82.2 Å²	82.2	56%	0.561	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.2	-180	-62	179.1	-176.6	-76.6	0	112.9	C16 A20 R21 C22	C16-K18 VanDerWaalsContact C-N 3.26Å; C16-K18 PolarHBondContact O-N 3.35Å; K18-A20 PolarHBondContact O-N 3.27Å; K18-R21 PolarHBondContact O-N 3.12Å; K18-C22 HydrophobicContact CB-CB 3.89Å
19	G	87.3	Confident	88.6	Confident	37 Å²	37	84.3 Å²	84.3	38%	0.381	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	54.2	-130.2	-178.9	0	0	0	0	0	112.2	C16 A17 R21 C22 H26	C16-G19 PolarHBondContact O-N 2.95Å; A17-G19 VanDerWaalsContact C-N 3.3Å; A17-G19 PolarHBondContact O-N 2.78Å; G19-R21 PolarHBondContact O-N 2.82Å; G19-C22 WeakPolarHBondContact O-CB 3.47Å; G19-C22 PolarHBondContact O-N 3.4Å; G19-H26 PolarHBondContact O-CE1 3.06Å; G19-H26 PolarHBondContact O-ND1 2.86Å
20	A	84.9	Confident	88.4	Confident	110 Å²	110	77.8 Å²	77.8	91%	0.909	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.7	178.3	0	0	0	0	0	114.3	K18 C22	K18-A20 PolarHBondContact O-N 3.27Å; A20-C22 VanDerWaalsContact C-N 3.26Å; A20-C22 PolarHBondContact O-N 2.7Å
21	R	88	Confident	88.1	Confident	237 Å²	237	74.6 Å²	74.6	89%	0.894	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-89.5	12.2	177.4	-60.5	-178	-177.7	162.9	0.1	112.7	K18 G19 C23	K18-R21 PolarHBondContact O-N 3.12Å; G19-R21 PolarHBondContact O-N 2.82Å; R21-C23 PolarHBondContact O-N 2.74Å
22	C	89.9	Confident	87.5	Confident	20 Å²	20	73 Å²	73	14%	0.135	40%	0.399	C	S	.	.			trans	-71.3	129.3	177.2	-163.9	0	0	0	0	109.8	K18 G19 A20 F24 H26	K18-C22 HydrophobicContact CB-CB 3.89Å; G19-C22 WeakPolarHBondContact O-CB 3.47Å; G19-C22 PolarHBondContact O-N 3.4Å; A20-C22 VanDerWaalsContact C-N 3.26Å; A20-C22 PolarHBondContact O-N 2.7Å; C22-F24 PolarHBondContact O-N 3.35Å; C22-H26 WeakPolarHBondContact CB-CE1 3.43Å; C22-H26 WeakPolarHBondContact CB-NE2 3.2Å; C22-H26 PolarHBondContact SG-NE2 3.46Å
23	C	88.3	Confident	87.1	Confident	91 Å²	91	72.2 Å²	72.2	62%	0.615	40%	0.397	S	S	*	.	S	Bend	trans	-72.1	-8.4	173.4	54	0	0	0	0	113.4	R21	R21-C23 PolarHBondContact O-N 2.74Å
24	F	89.6	Confident	86.9	Confident	73 Å²	73	70.9 Å²	70.9	32%	0.32	39%	0.393	S	S	.	.	S	Bend	trans	-105	154.3	179	-61.3	-77.7	0	0	0	110.9	D6 C8 C22 H26	D6-F24 HydrophobicContact CB-CD1 4.47Å; C8-F24 VanDerWaalsContact CA-CB 3.49Å; C8-F24 HydrophobicContact CB-CB 3.52Å; C8-F24 HydrophobicContact CB-CG 4.46Å; C22-F24 PolarHBondContact O-N 3.35Å; F24-H26 PolarHBondContact O-N 2.71Å
25	R	89.9	Confident	86.9	Confident	25 Å²	25	71.9 Å²	71.9	9%	0.094	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-68.2	130.5	-176.9	-165	178.5	109.1	-109.3	1	111.5	G5 D6 D7 C8 A48 C50 Y52 H54	G5-R25 PolarHBondContact O-NH1 3.4Å; D6-R25 WeakPolarHBondContact O-CB 2.81Å; D6-R25 PolarHBondContact O-N 3.47Å; D7-R25 VanDerWaalsContact CG-NH1 3.28Å; D7-R25 IonicContact OD1-CZ 2.97Å; D7-R25 IonicContact OD1-NE 3.67Å; D7-R25 IonicContact OD1-NH1 2.71Å; D7-R25 PolarHBondContact OD1-NH1 3.29Å; D7-R25 IonicContact OD1-NH2 3.28Å; D7-R25 PolarHBondContact OD1-NH2 2.98Å; D7-R25 IonicContact OD2-NH1 3.6Å; D7-R25 IonicContact OD2-NH2 3.8Å; C8-R25 PolarHBondContact N-O 3.34Å; R25-A48 WeakPolarHBondContact CD-O 3.07Å; R25-A48 PolarHBondContact NE-O 3.22Å; R25-A48 VanDerWaalsContact NE-O 3.16Å; R25-C50 PolarHBondContact NH2-O 2.99Å; R25-C50 VanDerWaalsContact NH2-O 3.16Å; R25-Y52 PolarHBondContact NH2-O 3.45Å; R25-H54 PolarHBondContact NH1-CD2 3.38Å; R25-H54 PolarHBondContact NH1-ND1 3.25Å
26	H	91.1	Very high	87	Confident	55 Å²	55	63.6 Å²	63.6	26%	0.255	36%	0.359	S	S	.	.			trans	-110.2	105.7	167.1	-65.8	171.2	0	0	0	107.9	C8 Y11 C16 G19 C22 F24	C8-H26 WeakPolarHBondContact CB-CD2 3.44Å; C8-H26 VanDerWaalsContact CB-NE2 3.31Å; C8-H26 WeakPolarHBondContact CB-NE2 3.39Å; C8-H26 PolarHBondContact SG-NE2 3.22Å; Y11-H26 WeakPolarHBondContact CB-CD2 3.39Å; Y11-H26 HydrophobicContact CD1-CB 4.04Å; Y11-H26 HydrophobicContact CD2-CB 3.86Å; Y11-H26 AromaticContact CD2-CD2 3.72Å; Y11-H26 AromaticContact CD2-CG 3.52Å; Y11-H26 AromaticContact CD2-ND1 3.77Å; Y11-H26 HydrophobicContact CE1-CB 4Å; Y11-H26 HydrophobicContact CE2-CB 3.82Å; Y11-H26 AromaticContact CE2-CG 3.96Å; Y11-H26 HydrophobicContact CG-CB 3.97Å; Y11-H26 AromaticContact CG-CD2 3.45Å; Y11-H26 VanDerWaalsContact CG-CD2 3.45Å; Y11-H26 AromaticContact CG-CG 3.66Å; C16-H26 VanDerWaalsContact SG-CE1 3.52Å; C16-H26 PolarHBondContact SG-NE2 3.17Å; C16-H26 VanDerWaalsContact SG-NE2 3.44Å; G19-H26 PolarHBondContact O-CE1 3.06Å; G19-H26 PolarHBondContact O-ND1 2.86Å; C22-H26 WeakPolarHBondContact CB-CE1 3.43Å; C22-H26 WeakPolarHBondContact CB-NE2 3.2Å; C22-H26 PolarHBondContact SG-NE2 3.46Å; F24-H26 PolarHBondContact O-N 2.71Å
27	S	89	Confident	86.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.353	C	S	.	.			trans	-116.7	111.3	177.5	-176.6	0	0	0	0	109.2	Y12 P29 A30 L31 N49 C50	Y12-S27 VanDerWaalsContact OH-CB 3.31Å; Y12-S27 WeakPolarHBondContact OH-CB 3.32Å; Y12-S27 PolarHBondContact OH-N 3.36Å; Y12-S27 PolarHBondContact OH-O 2.62Å; S27-P29 WeakPolarHBondContact OG-CD 3.44Å; S27-A30 PolarHBondContact O-N 3.44Å; S27-L31 PolarHBondContact O-N 3.22Å; S27-N49 PolarHBondContact OG-OD1 3.13Å; S27-C50 PolarHBondContact OG-O 3.09Å
28	E	87.3	Confident	86.8	Confident	149 Å²	149	65.3 Å²	65.3	70%	0.696	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-62.3	-39.6	176.3	-174.3	176.9	-168.6	0	0	112.6	A30 L31	E28-A30 PolarHBondContact O-N 3.31Å; E28-A30 VanDerWaalsContact O-N 3.13Å; E28-L31 HydrophobicContact CG-CD1 4.42Å; E28-L31 WeakPolarHBondContact O-CB 3.32Å; E28-L31 PolarHBondContact O-N 3.5Å
29	P	84.3	Confident	86.7	Confident	47 Å²	47	61 Å²	61	31%	0.305	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.4	-22	174.4	-27	36.7	0	0	0	114.9	S27 N49 P51	S27-P29 WeakPolarHBondContact OG-CD 3.44Å; P29-N49 WeakPolarHBondContact CD-OD1 3.06Å; P29-N49 WeakPolarHBondContact CG-OD1 3.43Å; P29-P51 HydrophobicContact CB-CB 4.04Å
30	A	86	Confident	86.9	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.9	176.4	0	0	0	0	0	113	Y12 S27 E28 G32 T33	Y12-A30 HydrophobicContact CE1-CB 3.68Å; Y12-A30 WeakPolarHBondContact OH-CB 3.47Å; S27-A30 PolarHBondContact O-N 3.44Å; E28-A30 PolarHBondContact O-N 3.31Å; E28-A30 VanDerWaalsContact O-N 3.13Å; A30-G32 PolarHBondContact O-N 3.48Å; A30-T33 WeakPolarHBondContact CA-OG1 3.36Å; A30-T33 PolarHBondContact O-N 3.09Å; A30-T33 PolarHBondContact O-OG1 3.37Å; A30-T33 VanDerWaalsContact O-OG1 3.14Å
31	L	83.1	Confident	87.1	Confident	61 Å²	61	60.5 Å²	60.5	32%	0.319	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	117.1	170.4	-84.6	161.5	0	0	0	108.6	Y11 Y12 S27 E28	Y11-L31 HydrophobicContact CE1-CD1 3.74Å; Y11-L31 HydrophobicContact CE1-CD2 4.43Å; Y11-L31 HydrophobicContact CE1-CG 3.89Å; Y11-L31 WeakPolarHBondContact OH-CD1 3.4Å; Y12-L31 HydrophobicContact CD1-CD2 4.07Å; Y12-L31 HydrophobicContact CD1-CG 4.19Å; Y12-L31 HydrophobicContact CE1-CG 4.37Å; S27-L31 PolarHBondContact O-N 3.22Å; E28-L31 HydrophobicContact CG-CD1 4.42Å; E28-L31 WeakPolarHBondContact O-CB 3.32Å; E28-L31 PolarHBondContact O-N 3.5Å
32	G	77.2	Confident	87.2	Confident	19 Å²	19	54.3 Å²	54.3	20%	0.196	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.5	-15.7	-177	0	0	0	0	0	114.4	A30 L81	A30-G32 PolarHBondContact O-N 3.48Å; G32-L81 WeakPolarHBondContact O-CD2 3.28Å
33	T	79.7	Confident	87.1	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.043	32%	0.315	C	S	.	.			trans	-87.7	132.4	173.8	63.6	0	0	0	0	110.4	A30 P51 R53 Y97	A30-T33 WeakPolarHBondContact CA-OG1 3.36Å; A30-T33 PolarHBondContact O-N 3.09Å; A30-T33 PolarHBondContact O-OG1 3.37Å; A30-T33 VanDerWaalsContact O-OG1 3.14Å; T33-P51 WeakPolarHBondContact CG2-O 3.35Å; T33-P51 PolarHBondContact OG1-O 3.3Å; T33-R53 WeakPolarHBondContact O-CD 3.32Å; T33-R53 WeakPolarHBondContact O-CG 3.44Å; T33-Y97 HydrophobicContact CG2-CD1 4.21Å; T33-Y97 HydrophobicContact CG2-CE1 3.57Å
34	E	81	Confident	87.1	Confident	29 Å²	29	65.7 Å²	65.7	14%	0.136	32%	0.323	C	S	.	.			trans	-102.6	4.4	169.3	-57.7	-156.1	132	0	0	112.3	V36 I57 R61 I62 L81	E34-V36 PolarHBondContact O-N 2.87Å; E34-I57 HydrophobicContact CB-CD1 4.37Å; E34-I57 VanDerWaalsContact O-CD1 3.26Å; E34-I57 WeakPolarHBondContact O-CD1 3.5Å; E34-R61 WeakPolarHBondContact OE1-CB 3.28Å; E34-R61 WeakPolarHBondContact OE1-CD 3.03Å; E34-R61 WeakPolarHBondContact OE1-CG 3.22Å; E34-R61 PolarHBondContact OE1-N 2.8Å; E34-R61 IonicContact OE1-NE 3.92Å; E34-R61 WeakPolarHBondContact OE2-CA 3.36Å; E34-R61 PolarHBondContact OE2-N 3.02Å; E34-I62 PolarHBondContact OE2-N 3.36Å; E34-L81 HydrophobicContact CG-CB 4.49Å; E34-L81 HydrophobicContact CG-CD1 4.49Å; E34-L81 HydrophobicContact CG-CD2 3.96Å; E34-L81 WeakPolarHBondContact OE1-CB 3.11Å
35	L	84.7	Confident	87.1	Confident	83 Å²	83	63.3 Å²	63.3	44%	0.435	32%	0.315	S	S	.	.			trans	-80.2	121.6	-179.7	-65.6	-167	0	0	0	110.5	Y52 R53 P99	L35-Y52 HydrophobicContact CB-CD1 3.95Å; L35-Y52 HydrophobicContact CB-CE1 4.48Å; L35-Y52 HydrophobicContact CD1-CE1 4.32Å; L35-R53 WeakPolarHBondContact O-CB 3.39Å; L35-R53 PolarHBondContact O-N 2.8Å; L35-P99 HydrophobicContact CD1-CB 3.3Å; L35-P99 HydrophobicContact CD1-CG 3.86Å; L35-P99 HydrophobicContact CG-CB 4.23Å
36	V	88.6	Confident	86.8	Confident	29 Å²	29	68.8 Å²	68.8	18%	0.176	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-72.9	134.8	174.2	-170.4	0	0	0	0	110	E34 K38 W40 Q41 R53 M55 I57	E34-V36 PolarHBondContact O-N 2.87Å; V36-K38 PolarHBondContact O-N 3.37Å; V36-K38 VanDerWaalsContact O-N 3.16Å; V36-W40 HydrophobicContact CG1-CE3 3.67Å; V36-W40 HydrophobicContact CG1-CZ3 3.6Å; V36-Q41 HydrophobicContact CG1-CG 3.67Å; V36-Q41 VanDerWaalsContact CG1-NE2 3.27Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.22Å; V36-M55 VanDerWaalsContact CG1-O 3.32Å; V36-M55 WeakPolarHBondContact CG1-O 3.04Å; V36-M55 VanDerWaalsContact CG2-O 3.27Å; V36-M55 WeakPolarHBondContact CG2-O 3.44Å; V36-I57 HydrophobicContact CG2-CB 4.15Å; V36-I57 HydrophobicContact CG2-CD1 4.18Å; V36-I57 HydrophobicContact CG2-CG1 4.15Å
37	C	91	Very high	86.5	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.034	37%	0.371	C	S	.	.			trans	-66.9	110.6	176	-178.9	0	0	0	0	109.9	A39 W40 Q41 C50 R53 H54	C37-A39 PolarHBondContact O-N 3.44Å; C37-W40 HydrophobicContact CB-CB 3.73Å; C37-W40 PolarHBondContact O-N 3.41Å; C37-W40 PolarHBondContact SG-N 3.39Å; C37-W40 VanDerWaalsContact SG-N 3.37Å; C37-Q41 PolarHBondContact O-N 2.98Å; C37-C50 VanDerWaalsContact SG-SG 3.67Å; C37-R53 WeakPolarHBondContact CB-O 3.17Å; C37-R53 PolarHBondContact N-O 3.4Å; C37-H54 VanDerWaalsContact CB-CD2 3.42Å; C37-H54 WeakPolarHBondContact CB-CD2 3.47Å
38	K	90.4	Very high	86.2	Confident	166 Å²	166	78.6 Å²	78.6	72%	0.722	40%	0.403	S	S	*	.	H	α-helix	trans	-58	-35.2	175.8	-65.7	-174.7	178.2	-176.2	0	112.5	V36 N42	V36-K38 PolarHBondContact O-N 3.37Å; V36-K38 VanDerWaalsContact O-N 3.16Å; K38-N42 PolarHBondContact O-N 3.17Å; K38-N42 PolarHBondContact O-ND2 3.49Å
39	A	90.1	Very high	86.1	Confident	39 Å²	39	76.7 Å²	76.7	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-68.2	-34.8	176.8	0	0	0	0	0	112.1	C37 N42 N43 R44 C45	C37-A39 PolarHBondContact O-N 3.44Å; A39-N42 CarbonylContact O-C 3.14Å; A39-N42 PolarHBondContact O-N 2.67Å; A39-N43 PolarHBondContact O-N 3.35Å; A39-R44 WeakPolarHBondContact O-CA 3.31Å; A39-R44 PolarHBondContact O-N 2.94Å; A39-C45 HydrophobicContact CB-CB 3.92Å; A39-C45 PolarHBondContact O-N 3.45Å
40	W	91	Very high	86.3	Confident	36 Å²	36	74.6 Å²	74.6	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-72.9	-40.2	175.6	166.9	79.2	0	0	0	111.6	D6 V36 C37 N42 N43 C45 H54 V56	D6-W40 WeakPolarHBondContact OD1-CZ2 3.49Å; D6-W40 PolarHBondContact OD1-NE1 3.44Å; V36-W40 HydrophobicContact CG1-CE3 3.67Å; V36-W40 HydrophobicContact CG1-CZ3 3.6Å; C37-W40 HydrophobicContact CB-CB 3.73Å; C37-W40 PolarHBondContact O-N 3.41Å; C37-W40 PolarHBondContact SG-N 3.39Å; C37-W40 VanDerWaalsContact SG-N 3.37Å; W40-N42 PolarHBondContact O-N 3.14Å; W40-N42 VanDerWaalsContact O-N 3.15Å; W40-N43 WeakPolarHBondContact O-CA 3.34Å; W40-N43 PolarHBondContact O-N 3.41Å; W40-C45 HydrophobicContact CB-CB 3.83Å; W40-H54 HydrophobicContact CB-CB 4.26Å; W40-H54 VanDerWaalsContact CB-CD2 3.48Å; W40-H54 WeakPolarHBondContact CB-CD2 3.05Å; W40-H54 VanDerWaalsContact CD1-CB 3.47Å; W40-H54 AromaticContact CD1-CG 3.41Å; W40-H54 VanDerWaalsContact CD1-CG 3.41Å; W40-H54 AromaticContact CD1-ND1 3.52Å; W40-H54 VanDerWaalsContact CD2-CA 3.43Å; W40-H54 HydrophobicContact CD2-CB 3.62Å; W40-H54 HydrophobicContact CE3-CB 4.38Å; W40-H54 HydrophobicContact CG-CB 3.51Å; W40-H54 AromaticContact CG-CD2 3.74Å; W40-H54 AromaticContact CG-CG 3.37Å; W40-H54 AromaticContact CG-ND1 3.85Å; W40-H54 VanDerWaalsContact CZ2-C 3.49Å; W40-H54 HydrophobicContact CZ2-CB 4.43Å; W40-V56 HydrophobicContact CH2-CG2 3.88Å; W40-V56 HydrophobicContact CZ3-CG2 4.07Å
41	Q	89.2	Confident	86.5	Confident	100 Å²	100	76.7 Å²	76.7	47%	0.467	40%	0.397	S	S	.	.	H	α-helix	trans	-56	-32.3	172.8	-72.7	179	-23.4	0	0	112.1	V36 C37 N43	V36-Q41 HydrophobicContact CG1-CG 3.67Å; V36-Q41 VanDerWaalsContact CG1-NE2 3.27Å; C37-Q41 PolarHBondContact O-N 2.98Å; Q41-N43 VanDerWaalsContact C-N 3.32Å
42	N	89.6	Confident	86.7	Confident	106 Å²	106	76.4 Å²	76.4	57%	0.567	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	8	175.3	-66.1	-29.3	0	0	0	113.9	K38 A39 W40 R44	K38-N42 PolarHBondContact O-N 3.17Å; K38-N42 PolarHBondContact O-ND2 3.49Å; A39-N42 CarbonylContact O-C 3.14Å; A39-N42 PolarHBondContact O-N 2.67Å; W40-N42 PolarHBondContact O-N 3.14Å; W40-N42 VanDerWaalsContact O-N 3.15Å; N42-R44 VanDerWaalsContact C-N 3.26Å; N42-R44 HydrophobicContact CB-CG 4.33Å; N42-R44 WeakPolarHBondContact O-CG 3.47Å; N42-R44 PolarHBondContact O-N 3.45Å
43	N	87.4	Confident	87.3	Confident	147 Å²	147	75.7 Å²	75.7	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	28.9	-175.3	-59.7	-58.5	0	0	0	115.1	A39 W40 Q41	A39-N43 PolarHBondContact O-N 3.35Å; W40-N43 WeakPolarHBondContact O-CA 3.34Å; W40-N43 PolarHBondContact O-N 3.41Å; Q41-N43 VanDerWaalsContact C-N 3.32Å
44	R	88.5	Confident	87.9	Confident	203 Å²	203	75.5 Å²	75.5	77%	0.766	38%	0.382	S	S	*	.			trans	-110.6	-7.1	-179.6	-57.5	-172.5	-166.4	-179.2	1.8	114.4	A39 N42 V46	A39-R44 WeakPolarHBondContact O-CA 3.31Å; A39-R44 PolarHBondContact O-N 2.94Å; N42-R44 VanDerWaalsContact C-N 3.26Å; N42-R44 HydrophobicContact CB-CG 4.33Å; N42-R44 WeakPolarHBondContact O-CG 3.47Å; N42-R44 PolarHBondContact O-N 3.45Å; R44-V46 PolarHBondContact O-N 3.43Å
45	C	89.5	Confident	88.3	Confident	23 Å²	23	75.4 Å²	75.4	16%	0.155	38%	0.382	C	S	.	.			trans	-83.3	109.6	-178.5	-166.1	0	0	0	0	111.3	A39 W40 H54	A39-C45 HydrophobicContact CB-CB 3.92Å; A39-C45 PolarHBondContact O-N 3.45Å; W40-C45 HydrophobicContact CB-CB 3.83Å; C45-H54 PolarHBondContact SG-CE1 3.2Å; C45-H54 PolarHBondContact SG-NE2 2.98Å
46	V	84	Confident	88.3	Confident	140 Å²	140	76 Å²	76	85%	0.848	39%	0.389	S	S	*	.			trans	-100.4	1.3	174.8	-64.2	0	0	0	0	113.2	R44 A48	R44-V46 PolarHBondContact O-N 3.43Å; V46-A48 PolarHBondContact O-N 3.14Å
47	R	84.8	Confident	88.2	Confident	182 Å²	182	76 Å²	76	69%	0.687	39%	0.387	S	S	*	.			trans	-76.1	114.5	-174.9	-64.9	-175.4	177.9	121.1	-1.5	110.8	N49 C50	R47-N49 VanDerWaalsContact C-N 3.3Å; R47-N49 PolarHBondContact O-N 3.23Å; R47-C50 HydrophobicContact CB-CB 4.17Å; R47-C50 PolarHBondContact O-N 2.74Å
48	A	82.2	Confident	87.7	Confident	80 Å²	80	82.2 Å²	82.2	66%	0.661	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.3	174.1	0	0	0	0	0	112.4	R25 V46	R25-A48 WeakPolarHBondContact CD-O 3.07Å; R25-A48 PolarHBondContact NE-O 3.22Å; R25-A48 VanDerWaalsContact NE-O 3.16Å; V46-A48 PolarHBondContact O-N 3.14Å
49	N	85.7	Confident	87.2	Confident	109 Å²	109	80.6 Å²	80.6	58%	0.583	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	41.9	-179.7	-153.9	28.1	0	0	0	112.6	S27 P29 R47	S27-N49 PolarHBondContact OG-OD1 3.13Å; P29-N49 WeakPolarHBondContact CD-OD1 3.06Å; P29-N49 WeakPolarHBondContact CG-OD1 3.43Å; R47-N49 VanDerWaalsContact C-N 3.3Å; R47-N49 PolarHBondContact O-N 3.23Å
50	C	89.4	Confident	86.7	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.02	42%	0.417	C	S	.	.			trans	-64.5	130.4	176.4	-172.3	0	0	0	0	110.4	R25 S27 C37 R47 Y52 H54	R25-C50 PolarHBondContact NH2-O 2.99Å; R25-C50 VanDerWaalsContact NH2-O 3.16Å; S27-C50 PolarHBondContact OG-O 3.09Å; C37-C50 VanDerWaalsContact SG-SG 3.67Å; R47-C50 HydrophobicContact CB-CB 4.17Å; R47-C50 PolarHBondContact O-N 2.74Å; C50-Y52 PolarHBondContact O-N 3.04Å; C50-H54 WeakPolarHBondContact CB-NE2 3.49Å; C50-H54 PolarHBondContact SG-NE2 3.25Å; C50-H54 VanDerWaalsContact SG-NE2 3.39Å
51	P	88.5	Confident	86.2	Confident	43 Å²	43	82 Å²	82	28%	0.279	42%	0.422	S	S	.	.	S	Bend	trans	-75.3	-5.5	178.1	32.1	-36.1	0	0	0	113.6	P29 T33 P100	P29-P51 HydrophobicContact CB-CB 4.04Å; T33-P51 WeakPolarHBondContact CG2-O 3.35Å; T33-P51 PolarHBondContact OG1-O 3.3Å; P51-P100 HydrophobicContact CB-CG 4.37Å
52	Y	89	Confident	85.7	Confident	55 Å²	55	82.5 Å²	82.5	22%	0.216	43%	0.427	C	S	.	.	S	Bend	trans	-105.6	156.6	179.4	-56.9	-75.4	0	0	0	111.2	R25 L35 C50 P100 I102	R25-Y52 PolarHBondContact NH2-O 3.45Å; L35-Y52 HydrophobicContact CB-CD1 3.95Å; L35-Y52 HydrophobicContact CB-CE1 4.48Å; L35-Y52 HydrophobicContact CD1-CE1 4.32Å; C50-Y52 PolarHBondContact O-N 3.04Å; Y52-P100 HydrophobicContact CE1-CG 4.21Å; Y52-I102 WeakPolarHBondContact OH-CG1 3.43Å
53	R	89.9	Confident	85.4	Confident	5 Å²	5	84.4 Å²	84.4	2%	0.019	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-72.9	130.1	-178.3	-57.1	-71.5	-80.8	141.6	-16.2	110.9	D7 Y12 T33 L35 V36 C37 M55 I57	D7-R53 VanDerWaalsContact CG-NH1 3.25Å; D7-R53 VanDerWaalsContact OD2-CA 3.28Å; D7-R53 WeakPolarHBondContact OD2-CA 3.22Å; D7-R53 IonicContact OD2-CZ 3.81Å; D7-R53 IonicContact OD2-NH1 2.8Å; D7-R53 PolarHBondContact OD2-NH1 2.64Å; Y12-R53 VanDerWaalsContact CE1-NH1 3.28Å; Y12-R53 VanDerWaalsContact CG-NH2 3.33Å; T33-R53 WeakPolarHBondContact O-CD 3.32Å; T33-R53 WeakPolarHBondContact O-CG 3.44Å; L35-R53 WeakPolarHBondContact O-CB 3.39Å; L35-R53 PolarHBondContact O-N 2.8Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.22Å; C37-R53 WeakPolarHBondContact CB-O 3.17Å; C37-R53 PolarHBondContact N-O 3.4Å; R53-M55 VanDerWaalsContact C-N 3.33Å; R53-M55 HydrophobicContact CB-CG 4.29Å; R53-M55 VanDerWaalsContact CZ-CE 3.5Å; R53-M55 VanDerWaalsContact CZ-SD 3.56Å; R53-M55 PolarHBondContact NH2-SD 3.1Å; R53-I57 HydrophobicContact CB-CD1 4.05Å; R53-I57 HydrophobicContact CG-CD1 3.93Å
54	H	91.5	Very high	85.3	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.009	41%	0.413	C	S	.	.	S	Bend	trans	-101.2	61.1	167.3	-65.3	-175.9	0	0	0	108.7	G5 D7 R25 C37 W40 C45 C50	G5-H54 WeakPolarHBondContact O-CB 3.2Å; G5-H54 PolarHBondContact O-ND1 3.25Å; D7-H54 PolarHBondContact N-O 2.89Å; D7-H54 PolarHBondContact OD2-N 3.37Å; R25-H54 PolarHBondContact NH1-CD2 3.38Å; R25-H54 PolarHBondContact NH1-ND1 3.25Å; C37-H54 VanDerWaalsContact CB-CD2 3.42Å; C37-H54 WeakPolarHBondContact CB-CD2 3.47Å; W40-H54 HydrophobicContact CB-CB 4.26Å; W40-H54 VanDerWaalsContact CB-CD2 3.48Å; W40-H54 WeakPolarHBondContact CB-CD2 3.05Å; W40-H54 VanDerWaalsContact CD1-CB 3.47Å; W40-H54 AromaticContact CD1-CG 3.41Å; W40-H54 VanDerWaalsContact CD1-CG 3.41Å; W40-H54 AromaticContact CD1-ND1 3.52Å; W40-H54 VanDerWaalsContact CD2-CA 3.43Å; W40-H54 HydrophobicContact CD2-CB 3.62Å; W40-H54 HydrophobicContact CE3-CB 4.38Å; W40-H54 HydrophobicContact CG-CB 3.51Å; W40-H54 AromaticContact CG-CD2 3.74Å; W40-H54 AromaticContact CG-CG 3.37Å; W40-H54 AromaticContact CG-ND1 3.85Å; W40-H54 VanDerWaalsContact CZ2-C 3.49Å; W40-H54 HydrophobicContact CZ2-CB 4.43Å; C45-H54 PolarHBondContact SG-CE1 3.2Å; C45-H54 PolarHBondContact SG-NE2 2.98Å; C50-H54 WeakPolarHBondContact CB-NE2 3.49Å; C50-H54 PolarHBondContact SG-NE2 3.25Å; C50-H54 VanDerWaalsContact SG-NE2 3.39Å
55	M	88.2	Confident	85.2	Confident	27 Å²	27	75 Å²	75	13%	0.133	40%	0.404	C	S	.	.	S	Bend	trans	-153.1	148.2	167.9	60.4	174.7	65.6	0	0	107.3	D7 Y12 Y13 V36 R53 I57	D7-M55 HydrophobicContact CB-CE 3.36Å; Y12-M55 HydrophobicContact CD2-CE 4.41Å; Y13-M55 HydrophobicContact CE2-CE 4.48Å; Y13-M55 HydrophobicContact CE2-SD 4.04Å; V36-M55 VanDerWaalsContact CG1-O 3.32Å; V36-M55 WeakPolarHBondContact CG1-O 3.04Å; V36-M55 VanDerWaalsContact CG2-O 3.27Å; V36-M55 WeakPolarHBondContact CG2-O 3.44Å; R53-M55 VanDerWaalsContact C-N 3.33Å; R53-M55 HydrophobicContact CB-CG 4.29Å; R53-M55 VanDerWaalsContact CZ-CE 3.5Å; R53-M55 VanDerWaalsContact CZ-SD 3.56Å; R53-M55 PolarHBondContact NH2-SD 3.1Å; M55-I57 HydrophobicContact CG-CD1 4.44Å; M55-I57 HydrophobicContact CG-CG1 4.08Å
56	V	86.2	Confident	85.2	Confident	95 Å²	95	74 Å²	74	58%	0.576	40%	0.397	S	S	*	.			trans	-72.8	130.1	171.2	-175.3	0	0	0	0	107.6	W40 D58	W40-V56 HydrophobicContact CH2-CG2 3.88Å; W40-V56 HydrophobicContact CZ3-CG2 4.07Å; V56-D58 WeakPolarHBondContact CG1-OD1 3.31Å
57	I	84.9	Confident	85.4	Confident	29 Å²	29	75 Å²	75	15%	0.149	39%	0.387	C	S	.	.			trans	-116	99.6	176.7	-62	168.3	0	0	0	106	E34 V36 R53 M55	E34-I57 HydrophobicContact CB-CD1 4.37Å; E34-I57 VanDerWaalsContact O-CD1 3.26Å; E34-I57 WeakPolarHBondContact O-CD1 3.5Å; V36-I57 HydrophobicContact CG2-CB 4.15Å; V36-I57 HydrophobicContact CG2-CD1 4.18Å; V36-I57 HydrophobicContact CG2-CG1 4.15Å; R53-I57 HydrophobicContact CB-CD1 4.05Å; R53-I57 HydrophobicContact CG-CD1 3.93Å; M55-I57 HydrophobicContact CG-CD1 4.44Å; M55-I57 HydrophobicContact CG-CG1 4.08Å
58	D	81	Confident	85.6	Confident	137 Å²	137	72.6 Å²	72.6	73%	0.733	38%	0.378	S	S	*	.	S	Bend	trans	-71.2	-37.8	-178	-57.1	-46.9	0	0	0	111.5	V56	V56-D58 WeakPolarHBondContact CG1-OD1 3.31Å
59	N	80.6	Confident	85.9	Confident	132 Å²	132	69.6 Å²	69.6	71%	0.706	35%	0.35	S	S	*	.	S	Bend	trans	-119.4	100.1	-179.1	-73.2	-10.3	0	0	0	110.3	R61	N59-R61 PolarHBondContact O-N 3.47Å
60	P	80.1	Confident	85.9	Confident	39 Å²	39	70.1 Å²	70.1	25%	0.253	35%	0.353	S	S	.	.			trans	-63.7	122.4	176.2	27.6	-34.4	0	0	0	109.3	I62 Q63	P60-I62 HydrophobicContact CB-CG2 4Å; P60-I62 PolarHBondContact O-N 3.46Å; P60-Q63 HydrophobicContact CG-CG 3.94Å; P60-Q63 PolarHBondContact O-N 3.31Å
61	R	79.7	Confident	85.9	Confident	64 Å²	64	72.9 Å²	72.9	24%	0.242	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-68.9	-21	-175.9	-49.8	173	-173.6	-125.8	-7.7	111	Y13 E34 N59 Q63 T64 L81 F82 K83	Y13-R61 VanDerWaalsContact CD1-NH2 3.29Å; E34-R61 WeakPolarHBondContact OE1-CB 3.28Å; E34-R61 WeakPolarHBondContact OE1-CD 3.03Å; E34-R61 WeakPolarHBondContact OE1-CG 3.22Å; E34-R61 PolarHBondContact OE1-N 2.8Å; E34-R61 IonicContact OE1-NE 3.92Å; E34-R61 WeakPolarHBondContact OE2-CA 3.36Å; E34-R61 PolarHBondContact OE2-N 3.02Å; N59-R61 PolarHBondContact O-N 3.47Å; R61-Q63 PolarHBondContact O-N 3.44Å; R61-Q63 VanDerWaalsContact O-N 3.09Å; R61-T64 PolarHBondContact O-N 3.31Å; R61-L81 CarbonylContact C-O 3.04Å; R61-L81 HydrophobicContact CB-CB 4.06Å; R61-F82 HydrophobicContact CB-CD1 3.86Å; R61-F82 HydrophobicContact CB-CE1 3.92Å; R61-F82 HydrophobicContact CB-CG 4.36Å; R61-F82 HydrophobicContact CB-CZ 4.48Å; R61-F82 HydrophobicContact CG-CE1 4.16Å; R61-F82 HydrophobicContact CG-CZ 4.43Å; R61-F82 WeakPolarHBondContact O-CA 2.97Å; R61-K83 PolarHBondContact O-N 2.74Å
62	I	78.8	Confident	85.7	Confident	111 Å²	111	77.2 Å²	77.2	57%	0.569	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59.2	-18.1	170.6	-168.5	164.3	0	0	0	113.5	E34 P60 L81 K83	E34-I62 PolarHBondContact OE2-N 3.36Å; P60-I62 HydrophobicContact CB-CG2 4Å; P60-I62 PolarHBondContact O-N 3.46Å; I62-L81 WeakPolarHBondContact CA-O 3.45Å; I62-L81 PolarHBondContact N-O 3.35Å; I62-L81 VanDerWaalsContact N-O 3.09Å; I62-K83 VanDerWaalsContact O-CB 3.32Å; I62-K83 WeakPolarHBondContact O-CB 3.43Å
63	Q	82.4	Confident	85.5	Confident	147 Å²	147	77.8 Å²	77.8	69%	0.687	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-91.4	-21.4	172.4	-63.5	-177.2	7.5	0	0	112.9	P60 R61	P60-Q63 HydrophobicContact CG-CG 3.94Å; P60-Q63 PolarHBondContact O-N 3.31Å; R61-Q63 PolarHBondContact O-N 3.44Å; R61-Q63 VanDerWaalsContact O-N 3.09Å
64	T	85.7	Confident	85.3	Confident	63 Å²	63	78.7 Å²	78.7	39%	0.387	42%	0.417	S	S	.	.	S	Bend	trans	-88.9	126.5	-178.3	-57.3	0	0	0	0	110	R61 F82 K83	R61-T64 PolarHBondContact O-N 3.31Å; T64-F82 HydrophobicContact CG2-CD1 3.91Å; T64-F82 HydrophobicContact CG2-CE1 3.99Å; T64-K83 PolarHBondContact O-N 3.28Å
65	P	87.2	Confident	85.1	Confident	89 Å²	89	79.2 Å²	79.2	58%	0.578	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-63.1	144.7	179.2	26.7	-34.3	0	0	0	112	Y67 K83	P65-Y67 PolarHBondContact O-N 2.96Å; P65-K83 CarbonylContact C-O 2.86Å; P65-K83 WeakPolarHBondContact CA-O 3.38Å
66	C	88.9	Confident	84.9	Confident	2 Å²	2	83.8 Å²	83.8	1%	0.014	45%	0.445	C	S	.	.			trans	-71.2	111.2	177.9	-173.3	0	0	0	0	110.5	W68 E69 C75 C80 F82 K83 H84	C66-W68 PolarHBondContact O-N 3.07Å; C66-E69 HydrophobicContact CB-CB 4.03Å; C66-E69 VanDerWaalsContact O-CB 3.3Å; C66-E69 WeakPolarHBondContact O-CB 3.25Å; C66-E69 PolarHBondContact O-N 3.09Å; C66-E69 VanDerWaalsContact O-N 3.13Å; C66-C75 VanDerWaalsContact SG-SG 3.69Å; C66-C80 VanDerWaalsContact SG-SG 3.6Å; C66-F82 HydrophobicContact CB-CB 3.69Å; C66-K83 PolarHBondContact N-O 2.87Å; C66-H84 WeakPolarHBondContact CB-NE2 3.37Å; C66-H84 PolarHBondContact SG-NE2 2.7Å; C66-H84 VanDerWaalsContact SG-NE2 3.38Å
67	Y	89.5	Confident	84.6	Confident	161 Å²	161	85.1 Å²	85.1	63%	0.631	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-54.5	-38.8	176.3	178.8	-97.9	0	0	0	113.3	P65 E69 Q71	P65-Y67 PolarHBondContact O-N 2.96Å; Y67-E69 VanDerWaalsContact C-N 3.29Å; Y67-E69 PolarHBondContact O-N 2.7Å; Y67-Q71 HydrophobicContact CD1-CG 4.47Å; Y67-Q71 HydrophobicContact CE1-CG 4.21Å; Y67-Q71 PolarHBondContact OH-NE2 2.93Å
68	W	88.6	Confident	84.2	Confident	132 Å²	132	90.2 Å²	90.2	50%	0.5	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-74.7	-15	-177.3	-66.4	102.2	0	0	0	114.1	C66 N70 Q71 G74 C75	C66-W68 PolarHBondContact O-N 3.07Å; W68-N70 PolarHBondContact O-N 3.1Å; W68-Q71 HydrophobicContact CD2-CG 4.46Å; W68-Q71 HydrophobicContact CE3-CB 4.02Å; W68-Q71 HydrophobicContact CE3-CG 3.67Å; W68-Q71 HydrophobicContact CZ3-CG 4.09Å; W68-Q71 PolarHBondContact O-N 3.49Å; W68-G74 CarbonylContact O-C 3.56Å; W68-G74 VanDerWaalsContact O-CA 3.3Å; W68-G74 WeakPolarHBondContact O-CA 3.35Å; W68-C75 HydrophobicContact CB-CB 4.14Å; W68-C75 PolarHBondContact O-N 3.16Å
69	E	87.8	Confident	83.9	Confident	16 Å²	16	88.8 Å²	88.8	8%	0.075	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-65.6	-30.1	176.1	-173.8	-173.2	173	0	0	112.6	C66 Y67 H84 T85 K86	C66-E69 HydrophobicContact CB-CB 4.03Å; C66-E69 VanDerWaalsContact O-CB 3.3Å; C66-E69 WeakPolarHBondContact O-CB 3.25Å; C66-E69 PolarHBondContact O-N 3.09Å; C66-E69 VanDerWaalsContact O-N 3.13Å; Y67-E69 VanDerWaalsContact C-N 3.29Å; Y67-E69 PolarHBondContact O-N 2.7Å; E69-H84 WeakPolarHBondContact OE2-CA 3.49Å; E69-H84 IonicContact OE2-CD2 3.95Å; E69-T85 VanDerWaalsContact CD-N 3.35Å; E69-T85 WeakPolarHBondContact OE1-CA 3.42Å; E69-T85 PolarHBondContact OE1-N 3.49Å; E69-T85 PolarHBondContact OE1-OG1 2.73Å; E69-T85 PolarHBondContact OE2-N 2.81Å; E69-T85 VanDerWaalsContact OE2-N 3.12Å; E69-K86 HydrophobicContact CG-CD 4.35Å; E69-K86 WeakPolarHBondContact OE1-CB 3.45Å; E69-K86 WeakPolarHBondContact OE1-CG 3.48Å; E69-K86 PolarHBondContact OE1-N 3.21Å
70	N	86.4	Confident	83.9	Confident	121 Å²	121	83 Å²	83	65%	0.647	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-91.7	-2.5	178.7	-67.6	-26	0	0	0	113.2	W68	W68-N70 PolarHBondContact O-N 3.1Å
71	Q	88.3	Confident	83.8	Confident	61 Å²	61	83.1 Å²	83.1	29%	0.285	42%	0.421	S	S	.	.	S	Bend	trans	-81	151.9	175.5	-64.5	-59.7	-35.8	0	0	110	Y67 W68 S73 G74	Y67-Q71 HydrophobicContact CD1-CG 4.47Å; Y67-Q71 HydrophobicContact CE1-CG 4.21Å; Y67-Q71 PolarHBondContact OH-NE2 2.93Å; W68-Q71 HydrophobicContact CD2-CG 4.46Å; W68-Q71 HydrophobicContact CE3-CB 4.02Å; W68-Q71 HydrophobicContact CE3-CG 3.67Å; W68-Q71 HydrophobicContact CZ3-CG 4.09Å; W68-Q71 PolarHBondContact O-N 3.49Å; Q71-S73 PolarHBondContact O-N 3.41Å; Q71-S73 VanDerWaalsContact O-N 3.07Å; Q71-G74 PolarHBondContact O-N 2.84Å
72	P	84.2	Confident	84.1	Confident	134 Å²	134	83.1 Å²	83.1	87%	0.87	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.9	-179.6	23.9	-34.5	0	0	0	113.1	G74	P72-G74 VanDerWaalsContact C-N 3.34Å
73	S	84.7	Confident	84.4	Confident	66 Å²	66	83.4 Å²	83.4	46%	0.462	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.2	175.2	64.7	0	0	0	0	114.3	Q71	Q71-S73 PolarHBondContact O-N 3.41Å; Q71-S73 VanDerWaalsContact O-N 3.07Å
74	G	86.4	Confident	84.5	Confident	25 Å²	25	78.1 Å²	78.1	26%	0.258	40%	0.395	S	S	.	.			trans	62.7	179.5	-162.6	0	0	0	0	0	113.2	W68 Q71 P72 L76	W68-G74 CarbonylContact O-C 3.56Å; W68-G74 VanDerWaalsContact O-CA 3.3Å; W68-G74 WeakPolarHBondContact O-CA 3.35Å; Q71-G74 PolarHBondContact O-N 2.84Å; P72-G74 VanDerWaalsContact C-N 3.34Å; G74-L76 PolarHBondContact O-N 3.42Å
75	C	87.7	Confident	84.5	Confident	13 Å²	13	80.2 Å²	80.2	9%	0.088	41%	0.408	C	S	.	.			trans	-82	106.1	176.6	177.8	0	0	0	0	111.2	C66 W68 K77 C80 H84	C66-C75 VanDerWaalsContact SG-SG 3.69Å; W68-C75 HydrophobicContact CB-CB 4.14Å; W68-C75 PolarHBondContact O-N 3.16Å; C75-K77 VanDerWaalsContact C-N 3.32Å; C75-K77 PolarHBondContact O-N 2.86Å; C75-C80 VanDerWaalsContact SG-CB 3.56Å; C75-C80 PolarHBondContact SG-SG 2.96Å; C75-H84 WeakPolarHBondContact CB-NE2 3.46Å; C75-H84 PolarHBondContact SG-NE2 3.31Å
76	L	84.9	Confident	84.2	Confident	122 Å²	122	81.7 Å²	81.7	64%	0.639	41%	0.406	S	S	*	.			trans	-83.6	-1.8	-179.6	-59.8	174.9	0	0	0	114.3	G74 K78	G74-L76 PolarHBondContact O-N 3.42Å; L76-K78 PolarHBondContact O-N 2.81Å
77	K	79	Confident	83.5	Confident	123 Å²	123	87.8 Å²	87.8	54%	0.535	45%	0.445	S	S	.	.			trans	-79.7	118.2	-176.6	-68.9	-168.8	178.8	-163.4	0	110.8	C75 H79 C80 R88	C75-K77 VanDerWaalsContact C-N 3.32Å; C75-K77 PolarHBondContact O-N 2.86Å; K77-H79 PolarHBondContact O-N 2.91Å; K77-C80 HydrophobicContact CB-CB 4.04Å; K77-C80 PolarHBondContact O-N 3.16Å; K77-R88 PolarHBondContact O-NH1 3.4Å
78	K	76.5	Confident	82.7	Confident	136 Å²	136	81.6 Å²	81.6	59%	0.591	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-49.1	177.3	-58.4	-164.3	178.7	-169.1	0	112.6	L76 R88	L76-K78 PolarHBondContact O-N 2.81Å; K78-R88 PolarHBondContact O-NH2 3.26Å
79	H	74.1	Confident	81.7	Confident	107 Å²	107	81.2 Å²	81.2	50%	0.495	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	63	177.7	-52.1	-71.4	0	0	0	111.1	K77 L81 Y94	K77-H79 PolarHBondContact O-N 2.91Å; H79-L81 PolarHBondContact O-N 3.44Å; H79-Y94 AromaticContact CE1-CD1 3.95Å; H79-Y94 AromaticContact CE1-CG 3.86Å; H79-Y94 AromaticContact ND1-CD1 3.43Å; H79-Y94 WeakPolarHBondContact ND1-CD1 3.4Å; H79-Y94 AromaticContact ND1-CG 3.61Å
80	C	80.8	Confident	80.5	Confident	11 Å²	11	88.3 Å²	88.3	7%	0.074	46%	0.462	C	S	.	.			trans	-76.3	116.5	175.8	-164.9	0	0	0	0	109.9	C66 C75 K77 F82 H84	C66-C80 VanDerWaalsContact SG-SG 3.6Å; C75-C80 VanDerWaalsContact SG-CB 3.56Å; C75-C80 PolarHBondContact SG-SG 2.96Å; K77-C80 HydrophobicContact CB-CB 4.04Å; K77-C80 PolarHBondContact O-N 3.16Å; C80-F82 VanDerWaalsContact C-N 3.25Å; C80-F82 PolarHBondContact O-N 2.71Å; C80-H84 WeakPolarHBondContact CB-CE1 3.26Å; C80-H84 PolarHBondContact SG-CE1 3.5Å
81	L	79.1	Confident	79.4	Confident	42 Å²	42	91.8 Å²	91.8	22%	0.22	47%	0.471	C	S	.	.			trans	-76.9	-12.8	179.9	-60.8	172.9	0	0	0	113.2	Y13 G32 E34 R61 I62 H79	Y13-L81 HydrophobicContact CE1-CD1 4.44Å; G32-L81 WeakPolarHBondContact O-CD2 3.28Å; E34-L81 HydrophobicContact CG-CB 4.49Å; E34-L81 HydrophobicContact CG-CD1 4.49Å; E34-L81 HydrophobicContact CG-CD2 3.96Å; E34-L81 WeakPolarHBondContact OE1-CB 3.11Å; R61-L81 CarbonylContact C-O 3.04Å; R61-L81 HydrophobicContact CB-CB 4.06Å; I62-L81 WeakPolarHBondContact CA-O 3.45Å; I62-L81 PolarHBondContact N-O 3.35Å; I62-L81 VanDerWaalsContact N-O 3.09Å; H79-L81 PolarHBondContact O-N 3.44Å
82	F	85.4	Confident	77.8	Confident	64 Å²	64	91.4 Å²	91.4	28%	0.281	47%	0.471	S	S	.	.	S	Bend	trans	-80.3	152.4	-179.3	-65.1	-80.6	0	0	0	111.8	R61 T64 C66 C80 H84	R61-F82 HydrophobicContact CB-CD1 3.86Å; R61-F82 HydrophobicContact CB-CE1 3.92Å; R61-F82 HydrophobicContact CB-CG 4.36Å; R61-F82 HydrophobicContact CB-CZ 4.48Å; R61-F82 HydrophobicContact CG-CE1 4.16Å; R61-F82 HydrophobicContact CG-CZ 4.43Å; R61-F82 WeakPolarHBondContact O-CA 2.97Å; T64-F82 HydrophobicContact CG2-CD1 3.91Å; T64-F82 HydrophobicContact CG2-CE1 3.99Å; C66-F82 HydrophobicContact CB-CB 3.69Å; C80-F82 VanDerWaalsContact C-N 3.25Å; C80-F82 PolarHBondContact O-N 2.71Å; F82-H84 PolarHBondContact O-CE1 2.72Å; F82-H84 VanDerWaalsContact O-CE1 3.25Å; F82-H84 PolarHBondContact O-N 3.02Å; F82-H84 PolarHBondContact O-ND1 3.32Å
83	K	84.6	Confident	76.5	Confident	117 Å²	117	86.4 Å²	86.4	51%	0.509	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-63.2	126.6	175.8	-166	178.1	175.4	-179.2	0	110.6	R61 I62 T64 P65 C66	R61-K83 PolarHBondContact O-N 2.74Å; I62-K83 VanDerWaalsContact O-CB 3.32Å; I62-K83 WeakPolarHBondContact O-CB 3.43Å; T64-K83 PolarHBondContact O-N 3.28Å; P65-K83 CarbonylContact C-O 2.86Å; P65-K83 WeakPolarHBondContact CA-O 3.38Å; C66-K83 PolarHBondContact N-O 2.87Å
84	H	85.7	Confident	74.8	Confident	35 Å²	35	88.3 Å²	88.3	16%	0.162	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-103.8	143.9	167.4	-60.3	71.2	0	0	0	109.8	C66 E69 C75 C80 F82	C66-H84 WeakPolarHBondContact CB-NE2 3.37Å; C66-H84 PolarHBondContact SG-NE2 2.7Å; C66-H84 VanDerWaalsContact SG-NE2 3.38Å; E69-H84 WeakPolarHBondContact OE2-CA 3.49Å; E69-H84 IonicContact OE2-CD2 3.95Å; C75-H84 WeakPolarHBondContact CB-NE2 3.46Å; C75-H84 PolarHBondContact SG-NE2 3.31Å; C80-H84 WeakPolarHBondContact CB-CE1 3.26Å; C80-H84 PolarHBondContact SG-CE1 3.5Å; F82-H84 PolarHBondContact O-CE1 2.72Å; F82-H84 VanDerWaalsContact O-CE1 3.25Å; F82-H84 PolarHBondContact O-N 3.02Å; F82-H84 PolarHBondContact O-ND1 3.32Å
85	T	84.7	Confident	73.1	Confident	108 Å²	108	89.1 Å²	89.1	66%	0.663	44%	0.437	S	S	*	.	S	Bend	trans	-98.2	-30.6	173.8	56.1	0	0	0	0	112.8	E69	E69-T85 VanDerWaalsContact CD-N 3.35Å; E69-T85 WeakPolarHBondContact OE1-CA 3.42Å; E69-T85 PolarHBondContact OE1-N 3.49Å; E69-T85 PolarHBondContact OE1-OG1 2.73Å; E69-T85 PolarHBondContact OE2-N 2.81Å; E69-T85 VanDerWaalsContact OE2-N 3.12Å
86	K	80.8	Confident	71.3	Confident	120 Å²	120	96 Å²	96	52%	0.522	47%	0.472	S	S	.	.	S	Bend	trans	-93.2	141.4	179.1	-63.6	171.8	-171.3	168.3	0	110	E69 R88	E69-K86 HydrophobicContact CG-CD 4.35Å; E69-K86 WeakPolarHBondContact OE1-CB 3.45Å; E69-K86 WeakPolarHBondContact OE1-CG 3.48Å; E69-K86 PolarHBondContact OE1-N 3.21Å; K86-R88 PolarHBondContact O-N 3.28Å
87	P	73.9	Confident	69.7	Low	130 Å²	130	94.4 Å²	94.4	84%	0.844	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-60	136.2	170.3	27	-33.3	0	0	0	109.3
88	R	73.6	Confident	68.6	Low	30 Å²	30	93 Å²	93	11%	0.113	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-92.6	153.1	174.7	-65	-165.4	-66	161.9	6.8	109.5	K77 K78 K86 E90 L92 T95	K77-R88 PolarHBondContact O-NH1 3.4Å; K78-R88 PolarHBondContact O-NH2 3.26Å; K86-R88 PolarHBondContact O-N 3.28Å; R88-E90 PolarHBondContact O-N 3.39Å; R88-L92 PolarHBondContact NH1-O 2.98Å; R88-L92 PolarHBondContact NH2-O 3.02Å; R88-T95 PolarHBondContact NE-OG1 2.8Å; R88-T95 PolarHBondContact NH2-OG1 3.43Å
89	D	66.5	Low	67.5	Low	125 Å²	125	89 Å²	89	67%	0.668	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-55.5	128.5	168.6	-62.5	-53.1	0	0	0	109.3	K91 L92 S93	D89-K91 PolarHBondContact O-N 2.8Å; D89-L92 PolarHBondContact O-N 3.16Å; D89-S93 PolarHBondContact O-N 2.86Å; D89-S93 VanDerWaalsContact O-N 3.14Å
90	E	62.7	Low	66.4	Low	164 Å²	164	86.1 Å²	86.1	77%	0.766	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-27	-177.7	-62.8	-63.6	162.1	0	0	113.1	R88 L92	R88-E90 PolarHBondContact O-N 3.39Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 3.37Å
91	K	63.2	Low	65	Low	194 Å²	194	91.8 Å²	91.8	84%	0.843	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.4	178.6	-62.4	-175.4	-178.5	-178.8	0	114.1	D89	D89-K91 PolarHBondContact O-N 2.8Å
92	L	56.1	Low	63.8	Low	54 Å²	54	95.3 Å²	95.3	28%	0.283	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-4.3	178.8	-60.7	177.8	0	0	0	112.2	R88 D89 E90	R88-L92 PolarHBondContact NH1-O 2.98Å; R88-L92 PolarHBondContact NH2-O 3.02Å; D89-L92 PolarHBondContact O-N 3.16Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 3.37Å
93	S	55.6	Low	62.3	Low	28 Å²	28	95.4 Å²	95.4	20%	0.196	48%	0.48	C	S	.	.			trans	-95.1	101.3	-175.3	-178	0	0	0	0	111.1	D89 T95	D89-S93 PolarHBondContact O-N 2.86Å; D89-S93 VanDerWaalsContact O-N 3.14Å; S93-T95 PolarHBondContact OG-N 2.99Å; S93-T95 PolarHBondContact OG-O 3.4Å; S93-T95 PolarHBondContact OG-OG1 3.23Å
94	Y	50.4	Low	60.9	Low	107 Å²	107	100.2 Å²	100.2	42%	0.42	50%	0.495	S	S	.	.			trans	-90.1	8.3	151.9	-163.6	-113.3	0	0	0	111.6	H79 D96 Y97	H79-Y94 AromaticContact CE1-CD1 3.95Å; H79-Y94 AromaticContact CE1-CG 3.86Å; H79-Y94 AromaticContact ND1-CD1 3.43Å; H79-Y94 WeakPolarHBondContact ND1-CD1 3.4Å; H79-Y94 AromaticContact ND1-CG 3.61Å; Y94-D96 PolarHBondContact O-N 2.86Å; Y94-Y97 AromaticContact CD1-CD2 3.77Å; Y94-Y97 HydrophobicContact CD1-CD2 3.77Å; Y94-Y97 HydrophobicContact CD1-CE2 4.41Å; Y94-Y97 AromaticContact CD1-CG 3.84Å; Y94-Y97 HydrophobicContact CD1-CG 3.84Å; Y94-Y97 AromaticContact CE1-CD1 3.88Å; Y94-Y97 HydrophobicContact CE1-CD1 3.88Å; Y94-Y97 AromaticContact CE1-CD2 2.95Å; Y94-Y97 HydrophobicContact CE1-CD2 2.95Å; Y94-Y97 HydrophobicContact CE1-CE1 4.02Å; Y94-Y97 AromaticContact CE1-CE2 3.23Å; Y94-Y97 HydrophobicContact CE1-CE2 3.23Å; Y94-Y97 AromaticContact CE1-CG 3.32Å; Y94-Y97 HydrophobicContact CE1-CG 3.32Å; Y94-Y97 AromaticContact CE1-CZ 3.72Å; Y94-Y97 HydrophobicContact CE2-CD2 4.41Å; Y94-Y97 HydrophobicContact CE2-CE2 4.49Å; Y94-Y97 AromaticContact CZ-CD2 3.35Å; Y94-Y97 AromaticContact CZ-CE2 3.27Å; Y94-Y97 AromaticContact CZ-CZ 3.96Å; Y94-Y97 PolarHBondContact O-N 3.43Å; Y94-Y97 WeakPolarHBondContact OH-CD2 3.42Å; Y94-Y97 WeakPolarHBondContact OH-CE2 3.27Å
95	T	48.8	Very low	59.5	Low	42 Å²	42	105.2 Å²	105.2	26%	0.258	52%	0.519	S	S	.	.			trans	-87.7	94.5	-178.6	34.1	0	0	0	0	107	R88 S93	R88-T95 PolarHBondContact NE-OG1 2.8Å; R88-T95 PolarHBondContact NH2-OG1 3.43Å; S93-T95 PolarHBondContact OG-N 2.99Å; S93-T95 PolarHBondContact OG-O 3.4Å; S93-T95 PolarHBondContact OG-OG1 3.23Å
96	D	51.3	Low	58.3	Low	157 Å²	157	104.8 Å²	104.8	84%	0.84	51%	0.512	S	S	*	.				-126.5	84.4	66.1	-56.9	-49.9	0	0	0	112.6	Y94 N98	Y94-D96 PolarHBondContact O-N 2.86Å; D96-N98 PolarHBondContact O-N 3.36Å
97	Y	51.7	Low	57.3	Low	89 Å²	89	101.9 Å²	101.9	35%	0.349	51%	0.506	S	S	.	.			trans	-67.9	86.3	176.6	-154.3	-130.6	0	0	0	111.3	T33 Y94	T33-Y97 HydrophobicContact CG2-CD1 4.21Å; T33-Y97 HydrophobicContact CG2-CE1 3.57Å; Y94-Y97 AromaticContact CD1-CD2 3.77Å; Y94-Y97 HydrophobicContact CD1-CD2 3.77Å; Y94-Y97 HydrophobicContact CD1-CE2 4.41Å; Y94-Y97 AromaticContact CD1-CG 3.84Å; Y94-Y97 HydrophobicContact CD1-CG 3.84Å; Y94-Y97 AromaticContact CE1-CD1 3.88Å; Y94-Y97 HydrophobicContact CE1-CD1 3.88Å; Y94-Y97 AromaticContact CE1-CD2 2.95Å; Y94-Y97 HydrophobicContact CE1-CD2 2.95Å; Y94-Y97 HydrophobicContact CE1-CE1 4.02Å; Y94-Y97 AromaticContact CE1-CE2 3.23Å; Y94-Y97 HydrophobicContact CE1-CE2 3.23Å; Y94-Y97 AromaticContact CE1-CG 3.32Å; Y94-Y97 HydrophobicContact CE1-CG 3.32Å; Y94-Y97 AromaticContact CE1-CZ 3.72Å; Y94-Y97 HydrophobicContact CE2-CD2 4.41Å; Y94-Y97 HydrophobicContact CE2-CE2 4.49Å; Y94-Y97 AromaticContact CZ-CD2 3.35Å; Y94-Y97 AromaticContact CZ-CE2 3.27Å; Y94-Y97 AromaticContact CZ-CZ 3.96Å; Y94-Y97 PolarHBondContact O-N 3.43Å; Y94-Y97 WeakPolarHBondContact OH-CD2 3.42Å; Y94-Y97 WeakPolarHBondContact OH-CE2 3.27Å
98	N	54.4	Low	56.9	Low	93 Å²	93	98.8 Å²	98.8	50%	0.497	49%	0.488	S	S	.	.			trans	-57.8	124.5	160.1	-157.4	-21.6	0	0	0	104.8	D96 K101	D96-N98 PolarHBondContact O-N 3.36Å; N98-K101 WeakPolarHBondContact ND2-CE 3.32Å
99	P	54.3	Low	56.5	Low	51 Å²	51	101.4 Å²	101.4	33%	0.331	50%	0.504	S	S	.	.			trans	-48.3	154.7	173.3	24.7	-36.3	0	0	0	109.6	L35 K101	L35-P99 HydrophobicContact CD1-CB 3.3Å; L35-P99 HydrophobicContact CD1-CG 3.86Å; L35-P99 HydrophobicContact CG-CB 4.23Å; P99-K101 VanDerWaalsContact C-N 3.34Å; P99-K101 PolarHBondContact O-N 3.42Å
100	P	50.3	Low	56.7	Low	48 Å²	48	101.9 Å²	101.9	31%	0.312	50%	0.5	S	S	.	.			trans	-47.2	109.8	174	21.2	-32.6	0	0	0	106.2	P51 Y52 I102	P51-P100 HydrophobicContact CB-CG 4.37Å; Y52-P100 HydrophobicContact CE1-CG 4.21Å; P100-I102 PolarHBondContact O-N 2.9Å
101	K	51.7	Low	57	Low	129 Å²	129	101.3 Å²	101.3	56%	0.561	50%	0.495	S	S	*	.			trans	-56.5	122.6	-176.1	-69.1	-179.3	-179.6	175	0	102.7	N98 P99 D103	N98-K101 WeakPolarHBondContact ND2-CE 3.32Å; P99-K101 VanDerWaalsContact C-N 3.34Å; P99-K101 PolarHBondContact O-N 3.42Å; K101-D103 HydrophobicContact CB-CB 3.68Å; K101-D103 VanDerWaalsContact CB-OD2 3.25Å; K101-D103 WeakPolarHBondContact CB-OD2 3.11Å; K101-D103 WeakPolarHBondContact CD-OD2 3.39Å; K101-D103 PolarHBondContact O-N 2.97Å
102	I	54.7	Low	57.4	Low	116 Å²	116	96.3 Å²	96.3	60%	0.595	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	31.3	171.8	-43.8	170.9	0	0	0	107.7	Y52 P100 L106	Y52-I102 WeakPolarHBondContact OH-CG1 3.43Å; P100-I102 PolarHBondContact O-N 2.9Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.22Å
103	D	52.4	Low	57.9	Low	67 Å²	67	101.7 Å²	101.7	36%	0.358	49%	0.494	S	S	.	.	H	α-helix	trans	-86.4	-15.3	-168.4	68.1	-0.8	0	0	0	112.1	K101 S107	K101-D103 HydrophobicContact CB-CB 3.68Å; K101-D103 VanDerWaalsContact CB-OD2 3.25Å; K101-D103 WeakPolarHBondContact CB-OD2 3.11Å; K101-D103 WeakPolarHBondContact CD-OD2 3.39Å; K101-D103 PolarHBondContact O-N 2.97Å; D103-S107 WeakPolarHBondContact O-CA 3.24Å; D103-S107 WeakPolarHBondContact O-CB 3.32Å; D103-S107 PolarHBondContact O-N 2.92Å; D103-S107 PolarHBondContact O-OG 2.79Å
104	R	56.6	Low	58.5	Low	218 Å²	218	105.7 Å²	105.7	82%	0.823	51%	0.513	S	S	*	.	H	α-helix	trans	-69.2	-38.8	173.3	-94.4	-173	176.7	-174.7	-0.1	112.2	S108	R104-S108 WeakPolarHBondContact O-CB 3.26Å; R104-S108 PolarHBondContact O-N 3.35Å; R104-S108 PolarHBondContact O-OG 2.84Å
105	E	56	Low	59.5	Low	140 Å²	140	107.7 Å²	107.7	65%	0.654	53%	0.526	S	S	*	.	H	α-helix	trans	-80.7	-41.2	174.1	-122.1	179.5	149.1	0	0	111.3	S107 S108 L109	E105-S107 PolarHBondContact O-N 3.5Å; E105-S108 PolarHBondContact O-N 3.44Å; E105-L109 VanDerWaalsContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 WeakPolarHBondContact O-CD1 3.24Å; E105-L109 WeakPolarHBondContact O-CG 3.48Å; E105-L109 PolarHBondContact O-N 3.34Å
106	L	59.1	Low	60.5	Low	99 Å²	99	112.1 Å²	112.1	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-70.6	-33.4	-178.9	-140.8	80.3	0	0	0	113.3	I102 K110	I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.22Å; L106-K110 VanDerWaalsContact O-CB 3.26Å; L106-K110 WeakPolarHBondContact O-CB 3.26Å; L106-K110 VanDerWaalsContact O-CG 3.24Å; L106-K110 WeakPolarHBondContact O-CG 3.5Å; L106-K110 PolarHBondContact O-N 3.27Å
107	S	60.1	Low	61	Low	58 Å²	58	106.5 Å²	106.5	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-73.5	-35.2	174.9	-57.5	0	0	0	0	111.6	D103 E105 K111	D103-S107 WeakPolarHBondContact O-CA 3.24Å; D103-S107 WeakPolarHBondContact O-CB 3.32Å; D103-S107 PolarHBondContact O-N 2.92Å; D103-S107 PolarHBondContact O-OG 2.79Å; E105-S107 PolarHBondContact O-N 3.5Å; S107-K111 WeakPolarHBondContact O-CG 3.38Å; S107-K111 PolarHBondContact O-N 3.19Å
108	S	64.8	Low	61.6	Low	65 Å²	65	106.2 Å²	106.2	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-70.3	-43.1	174.4	-57.5	0	0	0	0	110.9	R104 E105 K111 I112	R104-S108 WeakPolarHBondContact O-CB 3.26Å; R104-S108 PolarHBondContact O-N 3.35Å; R104-S108 PolarHBondContact O-OG 2.84Å; E105-S108 PolarHBondContact O-N 3.44Å; S108-K111 PolarHBondContact O-N 3.15Å; S108-I112 VanDerWaalsContact O-CG1 3.24Å; S108-I112 WeakPolarHBondContact O-CG1 3.24Å; S108-I112 PolarHBondContact O-N 2.81Å
109	L	66.9	Low	61.9	Low	85 Å²	85	105.8 Å²	105.8	45%	0.445	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-39.6	172.7	-80.8	159.9	0	0	0	112.1	E105 I112 Y113	E105-L109 VanDerWaalsContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 WeakPolarHBondContact O-CD1 3.24Å; E105-L109 WeakPolarHBondContact O-CG 3.48Å; E105-L109 PolarHBondContact O-N 3.34Å; L109-I112 PolarHBondContact O-N 3.05Å; L109-Y113 WeakPolarHBondContact O-CB 3.3Å; L109-Y113 PolarHBondContact O-N 2.79Å
110	K	70.2	Confident	62.1	Low	135 Å²	135	109.3 Å²	109.3	59%	0.587	54%	0.544	S	S	*	.	H	α-helix	trans	-61	-42.9	171.6	-83.2	178.4	179.1	-177.5	0	111.7	L106 Y113 L114	L106-K110 VanDerWaalsContact O-CB 3.26Å; L106-K110 WeakPolarHBondContact O-CB 3.26Å; L106-K110 VanDerWaalsContact O-CG 3.24Å; L106-K110 WeakPolarHBondContact O-CG 3.5Å; L106-K110 PolarHBondContact O-N 3.27Å; K110-Y113 PolarHBondContact O-N 3.21Å; K110-L114 VanDerWaalsContact O-CB 3.32Å; K110-L114 WeakPolarHBondContact O-CB 3.37Å; K110-L114 WeakPolarHBondContact O-CD1 3.44Å; K110-L114 VanDerWaalsContact O-CG 3.24Å; K110-L114 WeakPolarHBondContact O-CG 3.43Å; K110-L114 PolarHBondContact O-N 3.23Å
111	K	69.4	Low	62.3	Low	152 Å²	152	112.5 Å²	112.5	66%	0.661	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-45.8	174.6	-77.1	178.9	-178.4	-179.9	0	111.9	S107 S108 L114 Q115	S107-K111 WeakPolarHBondContact O-CG 3.38Å; S107-K111 PolarHBondContact O-N 3.19Å; S108-K111 PolarHBondContact O-N 3.15Å; K111-L114 PolarHBondContact O-N 3.42Å; K111-Q115 VanDerWaalsContact O-CB 3.3Å; K111-Q115 WeakPolarHBondContact O-CB 3.21Å; K111-Q115 PolarHBondContact O-N 2.99Å
112	I	71.1	Confident	62.4	Low	89 Å²	89	109.5 Å²	109.5	46%	0.456	56%	0.559	S	S	.	*	H	α-helix	trans	-63.5	-43.1	178.1	-65.8	167	0	0	0	110.8	S108 L109 Q115 K116	S108-I112 VanDerWaalsContact O-CG1 3.24Å; S108-I112 WeakPolarHBondContact O-CG1 3.24Å; S108-I112 PolarHBondContact O-N 2.81Å; L109-I112 PolarHBondContact O-N 3.05Å; I112-Q115 PolarHBondContact O-N 3.36Å; I112-K116 HydrophobicContact CG2-CD 4.19Å; I112-K116 WeakPolarHBondContact O-CB 3.4Å; I112-K116 WeakPolarHBondContact O-CG 3.46Å; I112-K116 PolarHBondContact O-N 3.41Å
113	Y	67.1	Low	62.5	Low	167 Å²	167	112.1 Å²	112.1	66%	0.655	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-47.2	177.2	-175.6	-98	0	0	0	111.4	L109 K110 Q115 K116 C117	L109-Y113 WeakPolarHBondContact O-CB 3.3Å; L109-Y113 PolarHBondContact O-N 2.79Å; K110-Y113 PolarHBondContact O-N 3.21Å; Y113-Q115 PolarHBondContact O-N 3.31Å; Y113-K116 PolarHBondContact O-N 3.47Å; Y113-C117 WeakPolarHBondContact O-CB 3.46Å; Y113-C117 PolarHBondContact O-N 3.16Å; Y113-C117 PolarHBondContact O-SG 2.92Å
114	L	67.4	Low	62.7	Low	112 Å²	112	117.3 Å²	117.3	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-63.8	-38.7	177.3	-74.7	167.3	0	0	0	112.7	K110 K111 C117 S118	K110-L114 VanDerWaalsContact O-CB 3.32Å; K110-L114 WeakPolarHBondContact O-CB 3.37Å; K110-L114 WeakPolarHBondContact O-CD1 3.44Å; K110-L114 VanDerWaalsContact O-CG 3.24Å; K110-L114 WeakPolarHBondContact O-CG 3.43Å; K110-L114 PolarHBondContact O-N 3.23Å; K111-L114 PolarHBondContact O-N 3.42Å; L114-C117 PolarHBondContact O-N 3.11Å; L114-S118 WeakPolarHBondContact O-CB 3.31Å; L114-S118 PolarHBondContact O-N 2.96Å; L114-S118 PolarHBondContact O-OG 3.48Å
115	Q	70.7	Confident	62.1	Low	150 Å²	150	114 Å²	114	70%	0.701	58%	0.576	S	S	*	*	H	α-helix	trans	-66.7	-42.4	176	-170.1	124.9	19.8	0	0	111.9	K111 I112 Y113 S118 S119	K111-Q115 VanDerWaalsContact O-CB 3.3Å; K111-Q115 WeakPolarHBondContact O-CB 3.21Å; K111-Q115 PolarHBondContact O-N 2.99Å; I112-Q115 PolarHBondContact O-N 3.36Å; Y113-Q115 PolarHBondContact O-N 3.31Å; Q115-S118 PolarHBondContact O-N 2.75Å; Q115-S119 PolarHBondContact O-N 2.99Å; Q115-S119 VanDerWaalsContact O-N 3.11Å
116	K	70.2	Confident	61.7	Low	135 Å²	135	119.4 Å²	119.4	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-40.9	174.6	-75	-179	179.2	-176.3	0	112	I112 Y113 S118 S119 I120	I112-K116 HydrophobicContact CG2-CD 4.19Å; I112-K116 WeakPolarHBondContact O-CB 3.4Å; I112-K116 WeakPolarHBondContact O-CG 3.46Å; I112-K116 PolarHBondContact O-N 3.41Å; Y113-K116 PolarHBondContact O-N 3.47Å; K116-S118 VanDerWaalsContact C-N 3.29Å; K116-S118 PolarHBondContact O-N 3.32Å; K116-S119 PolarHBondContact O-N 3.45Å; K116-I120 WeakPolarHBondContact O-CG1 3.43Å; K116-I120 PolarHBondContact O-N 2.87Å
117	C	62.2	Low	61.2	Low	39 Å²	39	121.6 Å²	121.6	26%	0.264	60%	0.602	S	S	.	*	H	α-helix	trans	-62.2	-37.5	174.5	-72.1	0	0	0	0	112	Y113 L114 I120 F121	Y113-C117 WeakPolarHBondContact O-CB 3.46Å; Y113-C117 PolarHBondContact O-N 3.16Å; Y113-C117 PolarHBondContact O-SG 2.92Å; L114-C117 PolarHBondContact O-N 3.11Å; C117-I120 PolarHBondContact O-N 3.28Å; C117-F121 VanDerWaalsContact O-CB 3.31Å; C117-F121 WeakPolarHBondContact O-CB 3.46Å; C117-F121 PolarHBondContact O-N 2.8Å
118	S	64.1	Low	60.9	Low	82 Å²	82	127.9 Å²	127.9	57%	0.573	62%	0.622	S	S	*	*	H	α-helix	trans	-67.8	-36.6	177.7	-56.4	0	0	0	0	112.3	L114 Q115 K116 G122	L114-S118 WeakPolarHBondContact O-CB 3.31Å; L114-S118 PolarHBondContact O-N 2.96Å; L114-S118 PolarHBondContact O-OG 3.48Å; Q115-S118 PolarHBondContact O-N 2.75Å; K116-S118 VanDerWaalsContact C-N 3.29Å; K116-S118 PolarHBondContact O-N 3.32Å; S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.01Å
119	S	60.3	Low	60.2	Low	84 Å²	84	135.9 Å²	135.9	59%	0.587	64%	0.643	S	S	*	*	H	α-helix	trans	-75	-28.7	177.4	-160.2	0	0	0	0	113.5	Q115 K116	Q115-S119 PolarHBondContact O-N 2.99Å; Q115-S119 VanDerWaalsContact O-N 3.11Å; K116-S119 PolarHBondContact O-N 3.45Å
120	I	58.8	Low	59.2	Low	126 Å²	126	137.6 Å²	137.6	65%	0.646	66%	0.66	S	S	*	*	H	α-helix	trans	-87	-37.8	179.3	-63.8	169.1	0	0	0	111.4	K116 C117	K116-I120 WeakPolarHBondContact O-CG1 3.43Å; K116-I120 PolarHBondContact O-N 2.87Å; C117-I120 PolarHBondContact O-N 3.28Å
121	F	55.3	Low	58.4	Low	115 Å²	115	139.8 Å²	139.8	50%	0.504	67%	0.67	S	S	.	*	H	α-helix	trans	-86.9	-19.2	179.7	-86.1	-96.7	0	0	0	114.2	C117 Q123 Y125	C117-F121 VanDerWaalsContact O-CB 3.31Å; C117-F121 WeakPolarHBondContact O-CB 3.46Å; C117-F121 PolarHBondContact O-N 2.8Å; F121-Q123 PolarHBondContact O-N 3.01Å; F121-Y125 AromaticContact CD1-CD2 3.58Å; F121-Y125 HydrophobicContact CD1-CD2 3.58Å; F121-Y125 HydrophobicContact CD1-CE2 4.1Å; F121-Y125 HydrophobicContact CD1-CG 4.43Å; F121-Y125 AromaticContact CE1-CD2 3.98Å; F121-Y125 HydrophobicContact CE1-CD2 3.98Å; F121-Y125 HydrophobicContact CE1-CE2 4.13Å; F121-Y125 HydrophobicContact CG-CD2 4.47Å; F121-Y125 PolarHBondContact O-N 3.2Å
122	G	53.9	Low	57.4	Low	65 Å²	65	137.8 Å²	137.8	67%	0.67	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-12.7	179.4	0	0	0	0	0	115.5	S118	S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.01Å
123	Q	56.2	Low	56.1	Low	172 Å²	172	138.5 Å²	138.5	80%	0.804	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-13.8	-177.7	-70.6	-173	13.5	0	0	115.1	F121	F121-Q123 PolarHBondContact O-N 3.01Å
124	K	56.5	Low	55	Low	175 Å²	175	136.9 Å²	136.9	76%	0.761	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	-4.5	-175.6	-96.5	-178.4	178.3	176.6	0	117.5
125	Y	44.5	Very low	54	Low	149 Å²	149	138 Å²	138	58%	0.584	71%	0.706	S	S	*	*			trans	-133.5	98.9	179	-48.9	-77.8	0	0	0	110.8	F121 L127	F121-Y125 AromaticContact CD1-CD2 3.58Å; F121-Y125 HydrophobicContact CD1-CD2 3.58Å; F121-Y125 HydrophobicContact CD1-CE2 4.1Å; F121-Y125 HydrophobicContact CD1-CG 4.43Å; F121-Y125 AromaticContact CE1-CD2 3.98Å; F121-Y125 HydrophobicContact CE1-CD2 3.98Å; F121-Y125 HydrophobicContact CE1-CE2 4.13Å; F121-Y125 HydrophobicContact CG-CD2 4.47Å; F121-Y125 PolarHBondContact O-N 3.2Å; Y125-L127 PolarHBondContact O-N 3.05Å
126	R	46.5	Very low	52.5	Low	254 Å²	254	141 Å²	141	96%	0.958	71%	0.712	S	S	*	*			trans	-65.2	72.5	159.4	-166.1	-178.5	-169.1	179.2	3.8	107.5	K128	R126-K128 PolarHBondContact O-N 3.34Å
127	L	49.8	Very low	51.3	Low	144 Å²	144	139.2 Å²	139.2	75%	0.754	72%	0.717	S	S	*	*			trans	-60.5	113.5	173.2	-87.4	159.5	0	0	0	106.9	Y125 R129	Y125-L127 PolarHBondContact O-N 3.05Å; L127-R129 PolarHBondContact O-N 3.32Å; L127-R129 VanDerWaalsContact O-N 3.16Å
128	K	53	Low	50.2	Low	191 Å²	191	146.6 Å²	146.6	83%	0.83	75%	0.747	S	S	*	*			trans	-51.5	122.6	177.9	-74.2	179.4	177.8	177.5	0	108.4	R126 C130	R126-K128 PolarHBondContact O-N 3.34Å; K128-C130 PolarHBondContact O-N 3.28Å
129	R	50.7	Low	49.2	Very low	233 Å²	233	146.7 Å²	146.7	88%	0.879	75%	0.753	S	S	*	*			trans	-57.6	94.3	172.3	-169.8	-177.2	-146.2	170.7	5.3	109.1	L127 K131	L127-R129 PolarHBondContact O-N 3.32Å; L127-R129 VanDerWaalsContact O-N 3.16Å; R129-K131 PolarHBondContact O-N 3.07Å
130	C	44.8	Very low	48.4	Very low	121 Å²	121	147.9 Å²	147.9	82%	0.818	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.4	116.1	162	-65.5	0	0	0	0	106.8	K128	K128-C130 PolarHBondContact O-N 3.28Å
131	K	53.5	Low	47.5	Very low	181 Å²	181	145.6 Å²	145.6	79%	0.787	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.7	143.7	176.3	-65.8	179.5	176.6	178.7	0	109.3	R129 A133	R129-K131 PolarHBondContact O-N 3.07Å; K131-A133 PolarHBondContact O-N 2.78Å
132	P	48.6	Very low	47	Very low	109 Å²	109	144.9 Å²	144.9	71%	0.708	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.6	126.6	164.2	27.3	-30.4	0	0	0	107.9	D134	P132-D134 VanDerWaalsContact C-N 3.31Å; P132-D134 PolarHBondContact O-N 3.02Å; P132-D134 VanDerWaalsContact O-N 3.09Å
133	A	43.5	Very low	46.4	Very low	104 Å²	104	146.6 Å²	146.6	86%	0.86	80%	0.798	S	S	*	*			trans	-75.5	92.3	166.6	0	0	0	0	0	107.3	K131	K131-A133 PolarHBondContact O-N 2.78Å
134	D	44.2	Very low	45.8	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	81%	0.806	S	S	*	*			trans	-64.2	124.4	155.6	-65.3	-45.6	0	0	0	107.7	P132	P132-D134 VanDerWaalsContact C-N 3.31Å; P132-D134 PolarHBondContact O-N 3.02Å; P132-D134 VanDerWaalsContact O-N 3.09Å
135	T	47.1	Very low	45.5	Very low	137 Å²	137	148.6 Å²	148.6	84%	0.84	81%	0.81	S	S	*	*			trans	155.4	109.4	137.2	49.3	0	0	0	0	109.7
136	Y	39.3	Very low	46.3	Very low	213 Å²	213	147 Å²	147	84%	0.835	82%	0.818	S	S	*	*				-172.7	112.1	109.1	-166.9	-103.4	0	0	0	109.6
137	S	43.5	Very low	47	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	81%	0.812	S	S	*	*			trans	-83.9	143.9	174.2	-64.7	0	0	0	0	111.1
138	Q	40.6	Very low	47.3	Very low	194 Å²	194	139.5 Å²	139.5	91%	0.907	81%	0.811	S	S	*	*			trans	28.3	118.5	143.7	-68.8	173.8	8.6	0	0	120.7
139	A	42	Very low	47.2	Very low	84 Å²	84	136.9 Å²	136.9	69%	0.694	81%	0.806	S	S	*	*			trans	-158.9	111.5	139.2	0	0	0	0	0	106.3
140	A	43.1	Very low	47.3	Very low	108 Å²	108	131.2 Å²	131.2	89%	0.893	80%	0.798	S	S	*	*				64.4	101.9	69.7	0	0	0	0	0	114.6
141	G	40.3	Very low	47.4	Very low	78 Å²	78	130.2 Å²	130.2	80%	0.804	79%	0.789	S	S	*	*			trans	107.2	134.5	140.9	0	0	0	0	0	119.7
142	A	44.9	Very low	46.6	Very low	101 Å²	101	128.9 Å²	128.9	84%	0.835	79%	0.79	S	S	*	*			trans	78.8	100.3	162.9	0	0	0	0	0	117.2
143	A	42.7	Very low	46.3	Very low	100 Å²	100	127.8 Å²	127.8	83%	0.826	79%	0.79	S	S	*	*				78.1	101.6	72	0	0	0	0	0	113.7
144	E	43.3	Very low	46.1	Very low	204 Å²	204	129 Å²	129	95%	0.953	78%	0.783	S	S	*	*			trans	-164.9	141.2	138	-138.6	174.3	104.9	0	0	111
145	E	48.6	Very low	46.3	Very low	185 Å²	185	130.1 Å²	130.1	86%	0.864	79%	0.788	S	S	*	*			trans	-82.1	163.2	-166.5	-73.6	-164.1	121.8	0	0	115.8
146	P	62.2	Low	45.9	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	79%	0.789	S	S	*	*			trans	-101.9	167.1	173	39.4	-30.8	0	0	0	113.2
147	P	62.1	Low	45.9	Very low	126 Å²	126	125.5 Å²	125.5	82%	0.818	79%	0.791	S	S	*	*			trans	-124.4	166.8	155.4	19.3	1.9	0	0	0	114.9
148	P	54.9	Low	45.6	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	79%	0.791	S	S	*	*			trans	-124.8	179.2	-137.7	40.1	-25.8	0	0	0	116.3
149	N	51.1	Low	45.3	Very low	136 Å²	136	121.3 Å²	121.3	73%	0.727	78%	0.783	S	S	*	*			trans	75.3	147.1	145.3	145	-24.7	0	0	0	117
150	V	53.7	Low	45.3	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	79%	0.793	S	S	*	*			cis	-170.7	-166.6	-10.1	-88.7	0	0	0	0	105.9
151	P	45.6	Very low	45.1	Very low	99 Å²	99	130.1 Å²	130.1	64%	0.643	79%	0.788	S	S	*	*				-137.1	-173.6	-64.3	39.2	-19.1	0	0	0	114.8
152	L	36.4	Very low	45.3	Very low	154 Å²	154	134.3 Å²	134.3	81%	0.806	79%	0.792	S	S	*	*			trans	66.8	114.4	149.4	-99.7	81.7	0	0	0	120.7
153	A	43.5	Very low	44.9	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	79%	0.791	S	S	*	*			trans	-156.5	93.3	142.8	0	0	0	0	0	112.4
154	N	39.9	Very low	45.1	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	79%	0.792	S	S	*	*			trans	-28.5	118.6	147.9	35.5	-68.2	0	0	0	118
155	N	48.4	Very low	45.2	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	78%	0.782	S	S	*	*			trans	-131.8	90.7	164.6	-54	-1.3	0	0	0	110.7
156	S	38.4	Very low	44.7	Very low	122 Å²	122	134.2 Å²	134.2	85%	0.853	79%	0.785	S	S	*	*			trans	-87.5	124.7	161.1	-60.9	0	0	0	0	108.8
157	C	37.9	Very low	44.3	Very low	131 Å²	131	140.3 Å²	140.3	89%	0.885	79%	0.793	S	S	*	*			trans	-172.4	150.9	148.6	-149.7	0	0	0	0	113.4
158	A	37.5	Very low	43.8	Very low	81 Å²	81	143.3 Å²	143.3	67%	0.669	80%	0.796	S	S	*	*			trans	73.6	94.3	164.3	0	0	0	0	0	116.4
159	V	34.7	Very low	43	Very low	122 Å²	122	141.7 Å²	141.7	74%	0.739	80%	0.8	S	S	*	*				45.9	91	63.8	-173	0	0	0	0	112.3
160	Q	42.5	Very low	43.1	Very low	195 Å²	195	139 Å²	139	91%	0.911	80%	0.796	S	S	*	*			trans	-134.6	121.2	147.3	-76.2	-171.1	-28.5	0	0	110
161	K	37.9	Very low	42.8	Very low	183 Å²	183	140.9 Å²	140.9	80%	0.796	80%	0.803	S	S	*	*			trans	-81.3	128.2	179.9	-61.5	165	177.5	174	0	107.7
162	N	44.7	Very low	43.2	Very low	165 Å²	165	140.1 Å²	140.1	88%	0.882	81%	0.805	S	S	*	*			trans	-120.3	101.7	157.7	-83.7	-20.1	0	0	0	108.5
163	A	37.8	Very low	43.8	Very low	97 Å²	97	140 Å²	140	80%	0.802	81%	0.805	S	S	*	*			trans	-78.8	123.4	167.8	0	0	0	0	0	108.3
164	V	46.1	Very low	44.3	Very low	142 Å²	142	142.6 Å²	142.6	86%	0.861	81%	0.812	S	S	*	*			trans	-122.9	117.3	161.3	-178.2	0	0	0	0	107.1
165	S	44.8	Very low	44.6	Very low	106 Å²	106	145 Å²	145	74%	0.741	82%	0.816	S	S	*	*			trans	-63	131.9	-170.1	-57.9	0	0	0	0	113.1
166	R	39.7	Very low	44.7	Very low	243 Å²	243	141.5 Å²	141.5	92%	0.917	80%	0.804	S	S	*	*			trans	-55.7	131.7	154.4	-89.1	178.6	175.7	176.2	-2.1	109.1
167	R	52.8	Low	45.3	Very low	243 Å²	243	140.8 Å²	140.8	92%	0.917	80%	0.799	S	S	*	*			trans	-116.4	131.1	150.4	-75.5	-171.9	177.9	-143.6	-0.2	107.9
168	E	50.9	Low	45.8	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	80%	0.796	S	S	*	*			trans	-72	141	-173.6	-66.8	165.8	127.3	0	0	110.3
169	G	39	Very low	46.6	Very low	80 Å²	80	139.1 Å²	139.1	83%	0.825	79%	0.794	S	S	*	*			trans	-85.2	138.4	167.1	0	0	0	0	0	109.7
170	A	52.9	Low	47.7	Very low	79 Å²	79	141.6 Å²	141.6	65%	0.653	80%	0.798	S	S	*	*			trans	-139.4	109.1	166.6	0	0	0	0	0	107.6
171	D	47	Very low	48.3	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	79%	0.794	S	S	*	*				70.8	136.6	125.9	-37.1	-33	0	0	0	123.1
172	A	55.8	Low	48.6	Very low	83 Å²	83	136 Å²	136	69%	0.686	80%	0.797	S	S	*	*			trans	89.4	97.3	142.4	0	0	0	0	0	120.5
173	D	46.9	Very low	48.5	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	80%	0.796	S	S	*	*				57.6	156.3	115.4	-62	-49.9	0	0	0	123.2
174	V	54.6	Low	49.1	Very low	140 Å²	140	133.4 Å²	133.4	85%	0.848	80%	0.799	S	S	*	*			trans	91	133.9	160.3	-171.6	0	0	0	0	114.9
175	F	46	Very low	49.8	Very low	181 Å²	181	130.4 Å²	130.4	79%	0.794	80%	0.797	S	S	*	*			cis	-170.5	161.7	-22.2	-169.1	-103	0	0	0	104.8
176	S	50.8	Low	49.8	Very low	81 Å²	81	132.5 Å²	132.5	57%	0.566	80%	0.8	S	S	*	*			trans	-17.4	157.7	167.6	-41.6	0	0	0	0	118.2
177	S	51.8	Low	50.7	Low	106 Å²	106	128.3 Å²	128.3	74%	0.741	80%	0.796	S	S	*	*			cis	175.7	161.7	38.1	-2.7	0	0	0	0	109.4
178	A	47.8	Very low	50.8	Low	101 Å²	101	123.3 Å²	123.3	84%	0.835	79%	0.787	S	S	*	*			trans	69.4	149.5	147.4	0	0	0	0	0	117
179	A	53.8	Low	51	Low	76 Å²	76	119.4 Å²	119.4	63%	0.628	78%	0.78	S	S	*	*			cis	-174.8	147.3	7.6	0	0	0	0	0	106.4
180	E	57.9	Low	51.7	Low	174 Å²	174	120 Å²	120	81%	0.813	78%	0.778	S	S	*	*			trans	52.8	150.4	141.8	-35.7	-74.9	116.1	0	0	118.7
181	E	55.3	Low	51.3	Low	177 Å²	177	123.3 Å²	123.3	83%	0.827	79%	0.785	S	S	*	*			cis	-152.5	150.8	17.1	-68.2	-174.1	144.9	0	0	106.2
182	G	43.8	Very low	51.6	Low	84 Å²	84	120.8 Å²	120.8	87%	0.866	78%	0.779	S	S	*	*				88.8	112.9	90.7	0	0	0	0	0	112.4
183	G	44	Very low	51.1	Low	84 Å²	84	123.6 Å²	123.6	87%	0.866	78%	0.783	S	S	*	*			trans	172.5	83.4	174.1	0	0	0	0	0	114.3
184	S	49	Very low	51	Low	124 Å²	124	124.2 Å²	124.2	87%	0.867	78%	0.781	S	S	*	*			trans	-75.6	143.9	169.8	52.4	0	0	0	0	111.9
185	G	60.8	Low	50.4	Low	78 Å²	78	124.2 Å²	124.2	80%	0.804	78%	0.775	S	S	*	*			trans	-170.2	93.2	169.9	0	0	0	0	0	110.5
186	D	46.1	Very low	50.2	Low	150 Å²	150	120.3 Å²	120.3	80%	0.802	77%	0.766	S	S	*	*			trans	-72.5	137.6	160.7	-59.5	-66.6	0	0	0	108.4
187	D	58.1	Low	49.6	Very low	156 Å²	156	121.3 Å²	121.3	83%	0.834	77%	0.768	S	S	*	*			trans	-172.9	107.3	150.7	-87.1	-36.4	0	0	0	111.3
188	D	55.1	Low	49.5	Very low	138 Å²	138	122.1 Å²	122.1	74%	0.738	77%	0.769	S	S	*	*			trans	50.2	107.3	130.8	-68.3	-44.8	0	0	0	123
189	S	54.6	Low	49.2	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	77%	0.766	S	S	*	*				34.1	115.8	123.4	55.9	0	0	0	0	120.4
190	A	54.8	Low	48.5	Very low	94 Å²	94	123.4 Å²	123.4	78%	0.777	77%	0.773	S	S	*	*				-166.6	121	126.1	0	0	0	0	0	111.1	S192	A190-S192 PolarHBondContact O-N 3.49Å
191	D	43.7	Very low	48	Very low	148 Å²	148	117.4 Å²	117.4	79%	0.791	75%	0.753	S	S	*	*			trans	-51.3	122	165.1	-118.2	-43.1	0	0	0	110.6
192	S	53.9	Low	47.5	Very low	103 Å²	103	113.6 Å²	113.6	72%	0.72	74%	0.742	S	S	*	*			trans	-146.6	88.2	166.1	-74.6	0	0	0	0	108.7	A190 E194	A190-S192 PolarHBondContact O-N 3.49Å; S192-E194 PolarHBondContact O-N 2.88Å
193	N	45.3	Very low	48.1	Very low	142 Å²	142	116.3 Å²	116.3	76%	0.759	74%	0.735	S	S	*	*			trans	-69.7	76.2	166.3	-66.7	-44.4	0	0	0	109.4	I195	N193-I195 PolarHBondContact O-N 3.27Å
194	E	44.6	Very low	48.5	Very low	164 Å²	164	118.9 Å²	118.9	77%	0.766	73%	0.729	S	S	*	*			trans	-80.9	93.9	167.8	-168.1	178.5	144.7	0	0	109.1	S192 T196	S192-E194 PolarHBondContact O-N 2.88Å; E194-T196 PolarHBondContact O-N 3.04Å
195	I	41.6	Very low	48.9	Very low	141 Å²	141	120.9 Å²	120.9	72%	0.723	72%	0.718	S	S	*	*			trans	-81.3	90.1	171	-61.3	173.8	0	0	0	107.7	N193 V197	N193-I195 PolarHBondContact O-N 3.27Å; I195-V197 HydrophobicContact CG2-CG2 3.69Å; I195-V197 PolarHBondContact O-N 3.42Å
196	T	42.3	Very low	48.5	Very low	99 Å²	99	122.6 Å²	122.6	61%	0.607	70%	0.703	S	S	*	*			trans	-75.4	97.7	167.5	-37.9	0	0	0	0	109.1	E194 T198	E194-T196 PolarHBondContact O-N 3.04Å; T196-T198 HydrophobicContact CG2-CG2 4.49Å; T196-T198 PolarHBondContact O-N 3.45Å; T196-T198 VanDerWaalsContact O-N 3.13Å
197	V	37.6	Very low	49.1	Very low	102 Å²	102	121.6 Å²	121.6	62%	0.618	69%	0.693	S	S	*	*			trans	-79.8	89.5	173.3	-172.8	0	0	0	0	108.9	I195 V199	I195-V197 HydrophobicContact CG2-CG2 3.69Å; I195-V197 PolarHBondContact O-N 3.42Å; V197-V199 HydrophobicContact CG1-CG2 4.22Å; V197-V199 PolarHBondContact O-N 3.28Å
198	T	50	Low	49.2	Very low	123 Å²	123	120.3 Å²	120.3	76%	0.755	68%	0.682	S	S	*	*			trans	-77.4	106.2	165	38.6	0	0	0	0	109	T196 G200	T196-T198 HydrophobicContact CG2-CG2 4.49Å; T196-T198 PolarHBondContact O-N 3.45Å; T196-T198 VanDerWaalsContact O-N 3.13Å; T198-G200 PolarHBondContact O-N 3.37Å
199	V	40.2	Very low	49.4	Very low	129 Å²	129	116.7 Å²	116.7	78%	0.782	66%	0.663	S	S	*	*			trans	-72.7	80.8	171.2	-175.5	0	0	0	0	107.9	V197 A201	V197-V199 HydrophobicContact CG1-CG2 4.22Å; V197-V199 PolarHBondContact O-N 3.28Å; V199-A201 PolarHBondContact O-N 3.4Å
200	G	40	Very low	50.1	Low	74 Å²	74	114.4 Å²	114.4	76%	0.763	64%	0.64	S	S	*	*			trans	-76	79.9	169.2	0	0	0	0	0	109.5	T198	T198-G200 PolarHBondContact O-N 3.37Å
201	A	46.7	Very low	50.7	Low	48 Å²	48	117.6 Å²	117.6	40%	0.397	64%	0.639	S	S	.	*			trans	-56.6	141.1	166.9	0	0	0	0	0	109.4	V199 I203 F206	V199-A201 PolarHBondContact O-N 3.4Å; A201-I203 PolarHBondContact O-N 3.23Å; A201-F206 HydrophobicContact CB-CE2 4.24Å
202	T	46.2	Very low	52	Low	97 Å²	97	117 Å²	117	60%	0.595	63%	0.631	S	S	*	*			trans	-34.3	117.8	171.8	44.7	0	0	0	0	111.8	D204 R205	T202-D204 PolarHBondContact O-N 3.25Å; T202-R205 PolarHBondContact O-N 2.9Å
203	I	56.6	Low	52.7	Low	142 Å²	142	119.5 Å²	119.5	73%	0.728	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-23.9	-177.5	-69.8	167.9	0	0	0	111.6	A201 R205 F206	A201-I203 PolarHBondContact O-N 3.23Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3.17Å; I203-F206 PolarHBondContact O-N 3.18Å
204	D	52	Low	53.7	Low	137 Å²	137	114 Å²	114	73%	0.733	60%	0.604	S	S	*	*	H	α-helix	trans	-72.7	-18.3	179.4	-53.2	-41.1	0	0	0	114	T202	T202-D204 PolarHBondContact O-N 3.25Å
205	R	57.6	Low	54.9	Low	167 Å²	167	112 Å²	112	63%	0.63	61%	0.605	S	S	*	*	H	α-helix	trans	-93.9	-13.2	176.1	-161.3	167.9	-178.2	144.9	1.9	113.4	T202 I203 L209	T202-R205 PolarHBondContact O-N 2.9Å; I203-R205 VanDerWaalsContact C-N 3.29Å; I203-R205 PolarHBondContact O-N 3.17Å; R205-L209 WeakPolarHBondContact O-CG 3.37Å; R205-L209 PolarHBondContact O-N 3.25Å
206	F	50.9	Low	55.6	Low	114 Å²	114	110.8 Å²	110.8	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-74.3	-34.4	174.3	-101.8	-89.6	0	0	0	111.4	A201 I203 L209 E210	A201-F206 HydrophobicContact CB-CE2 4.24Å; I203-F206 PolarHBondContact O-N 3.18Å; F206-L209 PolarHBondContact O-N 3.48Å; F206-E210 PolarHBondContact O-N 3.13Å; F206-E210 VanDerWaalsContact O-N 3.08Å
207	H	60	Low	56.6	Low	129 Å²	129	112.6 Å²	112.6	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-68.1	-40.5	177.4	-129.8	-96.8	0	0	0	112.3	L209 E210 E211	H207-L209 VanDerWaalsContact C-N 3.3Å; H207-L209 PolarHBondContact O-N 3.38Å; H207-E210 PolarHBondContact O-N 3.31Å; H207-E211 PolarHBondContact O-N 2.89Å
208	E	59.2	Low	57.6	Low	128 Å²	128	117.5 Å²	117.5	60%	0.598	61%	0.608	S	S	*	*	H	α-helix	trans	-64.8	-31.3	174.6	-76.7	178.9	153.3	0	0	113	Q212	E208-Q212 PolarHBondContact O-N 3.08Å
209	L	59.8	Low	57.7	Low	63 Å²	63	115.3 Å²	115.3	33%	0.33	60%	0.598	S	S	.	*	H	α-helix	trans	-82	-31.3	180	-71.5	172.5	0	0	0	113.1	R205 F206 H207 E211 Q212 Y213	R205-L209 WeakPolarHBondContact O-CG 3.37Å; R205-L209 PolarHBondContact O-N 3.25Å; F206-L209 PolarHBondContact O-N 3.48Å; H207-L209 VanDerWaalsContact C-N 3.3Å; H207-L209 PolarHBondContact O-N 3.38Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-Q212 PolarHBondContact O-N 3.01Å; L209-Y213 HydrophobicContact CD2-CD2 4.03Å; L209-Y213 HydrophobicContact CD2-CE2 3.93Å; L209-Y213 PolarHBondContact O-N 3.41Å
210	E	68.6	Low	58.3	Low	58 Å²	58	114.5 Å²	114.5	27%	0.271	60%	0.595	S	S	.	*	H	α-helix	trans	-66.7	-34.1	170.5	-93	-180	159.4	0	0	111.4	F206 H207 G214 F216 R218	F206-E210 PolarHBondContact O-N 3.13Å; F206-E210 VanDerWaalsContact O-N 3.08Å; H207-E210 PolarHBondContact O-N 3.31Å; E210-G214 WeakPolarHBondContact O-CA 3.39Å; E210-G214 PolarHBondContact O-N 3.11Å; E210-G214 VanDerWaalsContact O-N 3.11Å; E210-F216 HydrophobicContact CG-CD2 4.28Å; E210-R218 IonicContact OE1-NH2 3.27Å; E210-R218 PolarHBondContact OE1-NH2 3.01Å
211	E	68.8	Low	59	Low	162 Å²	162	116.9 Å²	116.9	76%	0.757	60%	0.597	S	S	*	*	H	α-helix	trans	-69.3	-35.4	173.2	-76.6	-176.2	171	0	0	113.1	H207 L209	H207-E211 PolarHBondContact O-N 2.89Å; L209-E211 VanDerWaalsContact C-N 3.32Å
212	Q	70.7	Confident	59.1	Low	134 Å²	134	119.5 Å²	119.5	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-84.8	-30.9	-176.7	-170	174.7	9.5	0	0	114.1	E208 L209	E208-Q212 PolarHBondContact O-N 3.08Å; L209-Q212 PolarHBondContact O-N 3.01Å
213	Y	67.5	Low	59.3	Low	156 Å²	156	124.7 Å²	124.7	61%	0.612	63%	0.627	S	S	*	*	H	α-helix	trans	-124.1	1.9	-170.3	-64.8	-78.5	0	0	0	114.7	L209	L209-Y213 HydrophobicContact CD2-CD2 4.03Å; L209-Y213 HydrophobicContact CD2-CE2 3.93Å; L209-Y213 PolarHBondContact O-N 3.41Å
214	G	66.2	Low	58.9	Low	28 Å²	28	127.9 Å²	127.9	29%	0.289	63%	0.629	S	S	.	*			trans	79	173.7	-177.8	0	0	0	0	0	113.3	E210 F216	E210-G214 WeakPolarHBondContact O-CA 3.39Å; E210-G214 PolarHBondContact O-N 3.11Å; E210-G214 VanDerWaalsContact O-N 3.11Å; G214-F216 PolarHBondContact O-N 3.27Å
215	P	70.9	Confident	58.8	Low	122 Å²	122	130.9 Å²	130.9	79%	0.792	64%	0.636	S	S	*	*			trans	-64.3	124.3	-173.3	23.6	-31.6	0	0	0	111.3
216	F	55.7	Low	58.2	Low	114 Å²	114	131.8 Å²	131.8	50%	0.5	65%	0.645	S	S	.	*			trans	-72.1	129.2	171.1	-73.8	-85.7	0	0	0	109.8	E210 G214 R218	E210-F216 HydrophobicContact CG-CD2 4.28Å; G214-F216 PolarHBondContact O-N 3.27Å; F216-R218 PolarHBondContact O-N 3.3Å
217	D	63.2	Low	58	Low	138 Å²	138	132.1 Å²	132.1	74%	0.738	66%	0.657	S	S	*	*			trans	-61.9	105.8	175.8	-164.9	-17.4	0	0	0	109.7	S219	D217-S219 PolarHBondContact O-N 3.31Å; D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.04Å; D217-S219 PolarHBondContact OD1-OG 3.03Å
218	R	59.2	Low	57.4	Low	204 Å²	204	131.4 Å²	131.4	77%	0.77	66%	0.661	S	S	*	*			trans	-79.4	29.5	-178.8	-62.4	-172.8	-175.9	-153.2	0.7	112.5	E210 F216 P220	E210-R218 IonicContact OE1-NH2 3.27Å; E210-R218 PolarHBondContact OE1-NH2 3.01Å; F216-R218 PolarHBondContact O-N 3.3Å; R218-P220 WeakPolarHBondContact O-CD 3.35Å
219	S	53	Low	56.8	Low	78 Å²	78	135.9 Å²	135.9	55%	0.545	67%	0.672	S	S	.	*			trans	-68.8	117.6	173	-69	0	0	0	0	109	D217	D217-S219 PolarHBondContact O-N 3.31Å; D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.04Å; D217-S219 PolarHBondContact OD1-OG 3.03Å
220	P	52.3	Low	56.5	Low	112 Å²	112	141.2 Å²	141.2	73%	0.727	70%	0.695	S	S	*	*			trans	-58.1	139.4	175.8	22.6	-30.2	0	0	0	108.7	R218 S222	R218-P220 WeakPolarHBondContact O-CD 3.35Å; P220-S222 PolarHBondContact O-N 3.22Å
221	P	53.7	Low	55.6	Low	124 Å²	124	146 Å²	146	81%	0.805	72%	0.723	S	S	*	*			trans	-59	110.9	178	23.5	-31.6	0	0	0	108.4	K223	P221-K223 PolarHBondContact O-N 3.2Å
222	S	50	Low	54.6	Low	102 Å²	102	142.4 Å²	142.4	71%	0.713	72%	0.721	S	S	*	*			trans	-51.1	127.3	166.6	175.1	0	0	0	0	107.3	P220 R224	P220-S222 PolarHBondContact O-N 3.22Å; S222-R224 PolarHBondContact O-N 3.14Å
223	K	48.8	Very low	53.6	Low	206 Å²	206	143.3 Å²	143.3	90%	0.896	73%	0.73	S	S	*	*			trans	-58.2	78	-176.1	-65.7	177.4	178.7	176.7	0	110.8	P221 K225	P221-K223 PolarHBondContact O-N 3.2Å; K223-K225 PolarHBondContact O-N 3.26Å
224	R	49.5	Very low	52.8	Low	209 Å²	209	145.7 Å²	145.7	79%	0.789	74%	0.744	S	S	*	*			trans	-83.4	105	165.3	-76.3	-171.6	172.3	-165.5	-1.1	106.9	S222 F226	S222-R224 PolarHBondContact O-N 3.14Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 HydrophobicContact CB-CD2 4.47Å; R224-F226 PolarHBondContact O-N 2.89Å
225	K	48.7	Very low	52.8	Low	201 Å²	201	149.4 Å²	149.4	87%	0.874	76%	0.763	S	S	*	*			trans	-54.8	98.2	165	-79.8	176.8	175.2	178	0	108	K223 T227	K223-K225 PolarHBondContact O-N 3.26Å; K225-T227 PolarHBondContact O-N 2.67Å
226	F	45	Very low	52.5	Low	185 Å²	185	149.7 Å²	149.7	81%	0.811	76%	0.764	S	S	*	*			trans	-81.7	103.3	162.8	-96.3	-89.4	0	0	0	107.3	R224 V228	R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 HydrophobicContact CB-CD2 4.47Å; R224-F226 PolarHBondContact O-N 2.89Å; F226-V228 PolarHBondContact O-N 3.22Å
227	T	47.6	Very low	52.9	Low	122 Å²	122	153.5 Å²	153.5	75%	0.748	78%	0.784	S	S	*	*			trans	-74.2	103	165.3	40	0	0	0	0	107.9	K225 R229	K225-T227 PolarHBondContact O-N 2.67Å; T227-R229 PolarHBondContact O-N 2.87Å; T227-R229 VanDerWaalsContact O-N 3.14Å
228	V	47.8	Very low	53.2	Low	114 Å²	114	152.1 Å²	152.1	69%	0.691	79%	0.785	S	S	*	*			trans	-73.6	102	165.5	177.3	0	0	0	0	106.7	F226 H230	F226-V228 PolarHBondContact O-N 3.22Å; V228-H230 PolarHBondContact O-N 2.74Å
229	R	45.7	Very low	53.7	Low	222 Å²	222	148.4 Å²	148.4	84%	0.838	79%	0.787	S	S	*	*			trans	-67.9	108.2	164.5	-77.2	-176.9	168.5	162.7	-3.1	107.2	T227 N231	T227-R229 PolarHBondContact O-N 2.87Å; T227-R229 VanDerWaalsContact O-N 3.14Å; R229-N231 PolarHBondContact O-N 3.37Å
230	H	54.5	Low	54.2	Low	175 Å²	175	148.3 Å²	148.3	81%	0.81	80%	0.798	S	S	*	*			trans	-65.6	113.6	160.1	-81.3	-91.7	0	0	0	107.1	V228 A232	V228-H230 PolarHBondContact O-N 2.74Å; H230-A232 PolarHBondContact O-N 3.39Å
231	N	49	Very low	54.6	Low	159 Å²	159	154.7 Å²	154.7	85%	0.85	83%	0.826	S	S	*	*			trans	-61.2	108	165.7	-78.7	-21.1	0	0	0	107.4	R229	R229-N231 PolarHBondContact O-N 3.37Å
232	A	48.1	Very low	54.7	Low	86 Å²	86	156.2 Å²	156.2	71%	0.711	83%	0.827	S	S	*	*			trans	-65.2	123.6	156.3	0	0	0	0	0	107.4	H230	H230-A232 PolarHBondContact O-N 3.39Å
233	D	49.4	Very low	54.9	Low	153 Å²	153	159.1 Å²	159.1	82%	0.818	83%	0.833	S	S	*	*			trans	170.1	83.8	146.6	-92.7	-41.9	0	0	0	108.4
234	F	51.3	Low	55.3	Low	206 Å²	206	156.4 Å²	156.4	90%	0.904	83%	0.83	S	S	*	*			trans	-136.3	109.5	154.7	-94.4	-81.5	0	0	0	107.3
235	P	65.3	Low	55.6	Low	105 Å²	105	153.4 Å²	153.4	68%	0.682	83%	0.832	S	S	*	*			trans	-69.6	145.4	174.2	27.6	-32	0	0	0	110.2	Q237	P235-Q237 PolarHBondContact O-N 3.38Å
236	P	65.2	Low	56.1	Low	128 Å²	128	150.4 Å²	150.4	83%	0.831	83%	0.83	S	S	*	*			trans	-70.7	119.9	176.7	28.5	-31.4	0	0	0	109.7
237	Q	63.1	Low	56.8	Low	195 Å²	195	148.1 Å²	148.1	91%	0.911	83%	0.831	S	S	*	*			trans	-80.2	115.4	163.6	-68.4	-177.3	21	0	0	108	P235	P235-Q237 PolarHBondContact O-N 3.38Å
238	S	70.6	Confident	57.5	Low	108 Å²	108	149.9 Å²	149.9	76%	0.755	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-68.4	147.2	168.6	39	0	0	0	0	111
239	P	69	Low	58.2	Low	127 Å²	127	152.7 Å²	152.7	83%	0.825	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-74.1	148.9	177.2	33.1	-32.8	0	0	0	110.5
240	G	64	Low	59.2	Low	75 Å²	75	146.9 Å²	146.9	77%	0.773	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-76	155.9	-174	0	0	0	0	0	115.5
241	D	61.6	Low	59.7	Low	246 Å²	246	144.4 Å²	144.4	100%	1.316	85%	0.852	S	S	*	*			trans	-125.4	0	147.6	-95.6	-58.2	0	0	0	106.9

Retrieved 241 of 241 residues in 165.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).