A0A077ZJS8_TRITR Loading...

DotM C-terminal cytoplasmic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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	78.6	Confident	91.7	Very high	237 Å²	237	121.5 Å²	121.5	100%	1.167	60%	0.598	S	S	*	*				0	-46.6	0	-59.1	-168.8	-157.2	0	0	113.3	R3	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.24Å
2	A	90	Very high	92	Very high	76 Å²	76	117.3 Å²	117.3	63%	0.628	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-22.3	-174	0	0	0	0	0	116.6	N4 A5 F6	A2-N4 PolarHBondContact O-N 2.86Å; A2-A5 PolarHBondContact O-N 3.24Å; A2-F6 WeakPolarHBondContact O-CB 3.4Å; A2-F6 PolarHBondContact O-N 3.33Å
3	R	93.5	Very high	92.2	Very high	194 Å²	194	121.7 Å²	121.7	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-55.8	-44.8	-172.9	-171.8	175.7	-177.7	171.8	0.7	113.9	M1 F6 I7	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.24Å; R3-F6 PolarHBondContact O-N 3.16Å; R3-I7 HydrophobicContact CG-CD1 3.95Å; R3-I7 VanDerWaalsContact O-CG1 3.3Å; R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.41Å
4	N	94.1	Very high	92.1	Very high	121 Å²	121	116.4 Å²	116.4	65%	0.647	59%	0.594	S	S	*	*	H	α-helix	trans	-70.4	-38.2	-177.5	-66.9	-10.2	0	0	0	112	A2 R8	A2-N4 PolarHBondContact O-N 2.86Å; N4-R8 PolarHBondContact O-N 3.16Å
5	A	92.8	Very high	92	Very high	47 Å²	47	109.5 Å²	109.5	39%	0.388	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-44.5	174.3	0	0	0	0	0	110.7	A2 I7 R8 V9	A2-A5 PolarHBondContact O-N 3.24Å; A5-I7 PolarHBondContact O-N 3.3Å; A5-R8 WeakPolarHBondContact O-CB 3.46Å; A5-R8 PolarHBondContact O-N 3.2Å; A5-R8 VanDerWaalsContact O-N 3.16Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.97Å
6	F	92.6	Very high	92	Very high	126 Å²	126	107.4 Å²	107.4	55%	0.553	55%	0.548	S	S	*	.	H	α-helix	trans	-57.7	-50	177.2	179	-99.8	0	0	0	112.3	A2 R3 R8 V9 I10	A2-F6 WeakPolarHBondContact O-CB 3.4Å; A2-F6 PolarHBondContact O-N 3.33Å; R3-F6 PolarHBondContact O-N 3.16Å; F6-R8 PolarHBondContact O-N 3.47Å; F6-V9 PolarHBondContact O-N 2.99Å; F6-I10 HydrophobicContact CE1-CB 4.45Å; F6-I10 HydrophobicContact CE1-CG1 4.44Å; F6-I10 HydrophobicContact CE2-CD1 4.05Å; F6-I10 HydrophobicContact CE2-CG1 4.47Å; F6-I10 HydrophobicContact CZ-CB 4.35Å; F6-I10 HydrophobicContact CZ-CD1 4Å; F6-I10 HydrophobicContact CZ-CG1 4.04Å; F6-I10 WeakPolarHBondContact O-CB 3.38Å; F6-I10 WeakPolarHBondContact O-CG2 3.39Å; F6-I10 PolarHBondContact O-N 3.2Å
7	I	94.5	Very high	91.9	Very high	73 Å²	73	107.8 Å²	107.8	37%	0.374	55%	0.547	S	S	.	.	H	α-helix	trans	-59.5	-32.6	178.6	-69.4	167	0	0	0	111.8	R3 A5 K11	R3-I7 HydrophobicContact CG-CD1 3.95Å; R3-I7 VanDerWaalsContact O-CG1 3.3Å; R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.41Å; A5-I7 PolarHBondContact O-N 3.3Å; I7-K11 WeakPolarHBondContact O-CG 3.11Å
8	R	94.1	Very high	91.8	Very high	181 Å²	181	104.2 Å²	104.2	68%	0.683	53%	0.526	S	S	*	.	H	α-helix	trans	-73	-47	177.9	-155.4	-166.4	-24.6	-115.1	0.9	111.5	N4 A5 F6	N4-R8 PolarHBondContact O-N 3.16Å; A5-R8 WeakPolarHBondContact O-CB 3.46Å; A5-R8 PolarHBondContact O-N 3.2Å; A5-R8 VanDerWaalsContact O-N 3.16Å; F6-R8 PolarHBondContact O-N 3.47Å
9	V	91.9	Very high	91.7	Very high	86 Å²	86	102.9 Å²	102.9	52%	0.521	52%	0.52	S	S	.	.	H	α-helix	trans	-70.9	-40.9	-176.9	174.2	0	0	0	0	111	A5 F6 K11 T12 A15	A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.97Å; F6-V9 PolarHBondContact O-N 2.99Å; V9-K11 PolarHBondContact O-N 3.21Å; V9-T12 WeakPolarHBondContact O-CB 3.47Å; V9-T12 WeakPolarHBondContact O-CG2 3.45Å; V9-T12 PolarHBondContact O-N 3.49Å; V9-T12 PolarHBondContact O-OG1 2.96Å; V9-A15 HydrophobicContact CG1-CB 4.3Å; V9-A15 WeakPolarHBondContact O-CB 3.35Å
10	I	93.5	Very high	91.5	Very high	34 Å²	34	107.6 Å²	107.6	17%	0.174	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	-176	-152	63.1	0	0	0	113.1	F6 A15 Q16 L19	F6-I10 HydrophobicContact CE1-CB 4.45Å; F6-I10 HydrophobicContact CE1-CG1 4.44Å; F6-I10 HydrophobicContact CE2-CD1 4.05Å; F6-I10 HydrophobicContact CE2-CG1 4.47Å; F6-I10 HydrophobicContact CZ-CB 4.35Å; F6-I10 HydrophobicContact CZ-CD1 4Å; F6-I10 HydrophobicContact CZ-CG1 4.04Å; F6-I10 WeakPolarHBondContact O-CB 3.38Å; F6-I10 WeakPolarHBondContact O-CG2 3.39Å; F6-I10 PolarHBondContact O-N 3.2Å; I10-A15 HydrophobicContact CD1-CB 4.48Å; I10-Q16 PolarHBondContact O-NE2 3.13Å; I10-L19 HydrophobicContact CD1-CD1 3.54Å; I10-L19 HydrophobicContact CD1-CD2 4.35Å; I10-L19 HydrophobicContact CD1-CG 4.07Å; I10-L19 HydrophobicContact CG1-CD1 4.02Å
11	K	93.3	Very high	91.4	Very high	162 Å²	162	104.3 Å²	104.3	70%	0.704	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.3	176.9	-70.2	179.4	-179.8	-172.4	0	113.6	I7 V9	I7-K11 WeakPolarHBondContact O-CG 3.11Å; V9-K11 PolarHBondContact O-N 3.21Å
12	T	95.4	Very high	92	Very high	70 Å²	70	93.7 Å²	93.7	43%	0.429	46%	0.462	S	S	.	.	S	Bend	trans	-75.8	151.7	179.7	69	0	0	0	0	110.9	V9 G14 A15 Q16	V9-T12 WeakPolarHBondContact O-CB 3.47Å; V9-T12 WeakPolarHBondContact O-CG2 3.45Å; V9-T12 PolarHBondContact O-N 3.49Å; V9-T12 PolarHBondContact O-OG1 2.96Å; T12-G14 VanDerWaalsContact C-N 3.3Å; T12-G14 PolarHBondContact O-N 3.06Å; T12-A15 PolarHBondContact O-N 2.75Å; T12-A15 WeakPolarHBondContact OG1-CB 3.48Å; T12-A15 PolarHBondContact OG1-N 3.24Å; T12-Q16 WeakPolarHBondContact O-CG 3.5Å; T12-Q16 PolarHBondContact O-N 2.85Å
13	E	93.9	Very high	92	Very high	175 Å²	175	96.6 Å²	96.6	82%	0.818	46%	0.457	S	S	*	.	H	α-helix	trans	-60.2	-40.4	179.1	-64.9	-175.3	169.6	0	0	112	A15 Q16 Q17	E13-A15 PolarHBondContact O-N 3.13Å; E13-Q16 PolarHBondContact O-N 3.15Å; E13-Q17 WeakPolarHBondContact O-CB 3.37Å; E13-Q17 PolarHBondContact O-N 2.98Å
14	G	91.3	Very high	92	Very high	48 Å²	48	91.9 Å²	91.9	50%	0.495	44%	0.44	S	S	.	.	H	α-helix	trans	-61.6	-41.3	177	0	0	0	0	0	112.9	T12 Q17 W18	T12-G14 VanDerWaalsContact C-N 3.3Å; T12-G14 PolarHBondContact O-N 3.06Å; G14-Q17 PolarHBondContact O-N 2.88Å; G14-W18 WeakPolarHBondContact O-CB 3.08Å; G14-W18 PolarHBondContact O-N 3Å
15	A	91.1	Very high	92	Very high	12 Å²	12	91.5 Å²	91.5	10%	0.099	44%	0.441	C	S	.	.	H	α-helix	trans	-68.9	-37.8	176.3	0	0	0	0	0	112.1	V9 I10 T12 E13 Q17 W18 L19	V9-A15 HydrophobicContact CG1-CB 4.3Å; V9-A15 WeakPolarHBondContact O-CB 3.35Å; I10-A15 HydrophobicContact CD1-CB 4.48Å; T12-A15 PolarHBondContact O-N 2.75Å; T12-A15 WeakPolarHBondContact OG1-CB 3.48Å; T12-A15 PolarHBondContact OG1-N 3.24Å; E13-A15 PolarHBondContact O-N 3.13Å; A15-Q17 VanDerWaalsContact C-N 3.34Å; A15-W18 PolarHBondContact O-N 3.05Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 2.85Å
16	Q	91.7	Very high	92.1	Very high	77 Å²	77	95 Å²	95	36%	0.36	45%	0.445	S	S	.	.	H	α-helix	trans	-65.6	-37.3	174.7	-70.8	-65.3	-40.5	0	0	112.1	I10 T12 E13 R20	I10-Q16 PolarHBondContact O-NE2 3.13Å; T12-Q16 WeakPolarHBondContact O-CG 3.5Å; T12-Q16 PolarHBondContact O-N 2.85Å; E13-Q16 PolarHBondContact O-N 3.15Å; Q16-R20 WeakPolarHBondContact O-CG 3.28Å; Q16-R20 PolarHBondContact O-N 3.12Å
17	Q	89.8	Confident	92.2	Very high	114 Å²	114	89.1 Å²	89.1	53%	0.533	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-48	173.5	-175.5	174.5	13.2	0	0	111.2	E13 G14 A15 L19 R20 Q21	E13-Q17 WeakPolarHBondContact O-CB 3.37Å; E13-Q17 PolarHBondContact O-N 2.98Å; G14-Q17 PolarHBondContact O-N 2.88Å; A15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 2.9Å; Q17-R20 WeakPolarHBondContact O-CB 3.44Å; Q17-R20 PolarHBondContact O-N 3.21Å; Q17-Q21 WeakPolarHBondContact O-CG 3.4Å; Q17-Q21 PolarHBondContact O-N 3.23Å
18	W	89.9	Confident	92.1	Very high	42 Å²	42	85.6 Å²	85.6	16%	0.159	40%	0.401	C	S	.	.	H	α-helix	trans	-57.1	-42.4	176.5	168.7	78.8	0	0	0	112.4	G14 A15 R20 Q21 H22 G28 W31	G14-W18 WeakPolarHBondContact O-CB 3.08Å; G14-W18 PolarHBondContact O-N 3Å; A15-W18 PolarHBondContact O-N 3.05Å; W18-R20 PolarHBondContact O-N 3.19Å; W18-Q21 PolarHBondContact O-N 3.22Å; W18-Q21 VanDerWaalsContact O-N 3.09Å; W18-H22 AromaticContact CD1-CD2 3.47Å; W18-H22 VanDerWaalsContact CD1-CD2 3.47Å; W18-H22 AromaticContact NE1-CD2 3.5Å; W18-H22 PolarHBondContact NE1-CD2 3.22Å; W18-H22 PolarHBondContact O-N 2.86Å; W18-G28 VanDerWaalsContact CZ2-C 3.44Å; W18-G28 WeakPolarHBondContact CZ2-O 3.47Å; W18-G28 PolarHBondContact NE1-O 2.92Å; W18-G28 VanDerWaalsContact NE1-O 3.15Å; W18-W31 AromaticContact CD1-CE3 3.38Å; W18-W31 AromaticContact CD1-CZ3 3.59Å; W18-W31 AromaticContact NE1-CE3 3.7Å
19	L	90.3	Very high	92.1	Very high	80 Å²	80	80 Å²	80	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-26.6	175.5	-79.2	176.8	0	0	0	113.9	I10 A15 Q17	I10-L19 HydrophobicContact CD1-CD1 3.54Å; I10-L19 HydrophobicContact CD1-CD2 4.35Å; I10-L19 HydrophobicContact CD1-CG 4.07Å; I10-L19 HydrophobicContact CG1-CD1 4.02Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 2.85Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 2.9Å
20	R	87.8	Confident	92.2	Very high	196 Å²	196	76.1 Å²	76.1	74%	0.74	36%	0.361	S	S	*	.	H	α-helix	trans	-82.1	-23.7	176	-68.3	175.2	-169.8	150.9	3.4	112.5	Q16 Q17 W18	Q16-R20 WeakPolarHBondContact O-CG 3.28Å; Q16-R20 PolarHBondContact O-N 3.12Å; Q17-R20 WeakPolarHBondContact O-CB 3.44Å; Q17-R20 PolarHBondContact O-N 3.21Å; W18-R20 PolarHBondContact O-N 3.19Å
21	Q	89.3	Confident	92.1	Very high	39 Å²	39	76.9 Å²	76.9	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-82.9	-30	-178	-69.3	171.9	-25.4	0	0	112.5	Q17 W18 S84	Q17-Q21 WeakPolarHBondContact O-CG 3.4Å; Q17-Q21 PolarHBondContact O-N 3.23Å; W18-Q21 PolarHBondContact O-N 3.22Å; W18-Q21 VanDerWaalsContact O-N 3.09Å; Q21-S84 WeakPolarHBondContact CG-OG 3.37Å; Q21-S84 PolarHBondContact NE2-OG 3.48Å
22	H	91.4	Very high	92	Very high	14 Å²	14	71.2 Å²	71.2	7%	0.065	34%	0.339	C	S	.	.			trans	-118	122.1	-175.8	-64.2	-72.3	0	0	0	111.5	W18 W31 E80	W18-H22 AromaticContact CD1-CD2 3.47Å; W18-H22 VanDerWaalsContact CD1-CD2 3.47Å; W18-H22 AromaticContact NE1-CD2 3.5Å; W18-H22 PolarHBondContact NE1-CD2 3.22Å; W18-H22 PolarHBondContact O-N 2.86Å; H22-W31 VanDerWaalsContact CE1-CB 3.48Å; H22-W31 WeakPolarHBondContact CE1-CB 3.13Å; H22-W31 AromaticContact CE1-CD1 3.53Å; H22-W31 AromaticContact CE1-CG 3.47Å; H22-W31 VanDerWaalsContact CE1-CG 3.47Å; H22-W31 WeakPolarHBondContact NE2-CB 3.24Å; H22-W31 AromaticContact NE2-CD1 3.47Å; H22-W31 AromaticContact NE2-CD2 3.44Å; H22-W31 AromaticContact NE2-CE2 3.93Å; H22-W31 AromaticContact NE2-CG 3.15Å; H22-W31 AromaticContact NE2-NE1 3.89Å; H22-E80 IonicContact CE1-OE2 3.63Å; H22-E80 IonicContact CG-OE2 3.81Å; H22-E80 IonicContact ND1-OE2 3.03Å; H22-E80 PolarHBondContact ND1-OE2 2.81Å
23	R	90.7	Very high	91.8	Very high	138 Å²	138	69.7 Å²	69.7	52%	0.521	33%	0.325	S	S	.	.	S	Bend	trans	-80.1	-32.2	178.6	-177	174	177.6	-179.3	-2.7	111.7	E80 E92	R23-E80 PolarHBondContact N-OE1 3.11Å; R23-E92 IonicContact CZ-OE1 3.37Å; R23-E92 VanDerWaalsContact NH1-CD 3.27Å; R23-E92 IonicContact NH1-OE1 3.94Å; R23-E92 PolarHBondContact NH1-OE1 3.03Å; R23-E92 IonicContact NH1-OE2 3.61Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å; R23-E92 IonicContact NH2-OE1 2.81Å
24	Y	93.7	Very high	91.5	Very high	94 Å²	94	62.1 Å²	62.1	37%	0.369	29%	0.293	S	S	.	.	S	Bend	trans	-108	142.1	-176	-59.8	-82.8	0	0	0	112.5	R26 S27 G28 V76 P93	Y24-R26 VanDerWaalsContact C-N 3.34Å; Y24-R26 PolarHBondContact O-N 3.04Å; Y24-S27 WeakPolarHBondContact CB-OG 3.44Å; Y24-S27 PolarHBondContact O-N 3.45Å; Y24-S27 PolarHBondContact O-OG 3.24Å; Y24-G28 PolarHBondContact O-N 3.39Å; Y24-V76 HydrophobicContact CD2-CG1 4.1Å; Y24-P93 HydrophobicContact CE2-CB 3.9Å; Y24-P93 HydrophobicContact CE2-CG 4.28Å
25	V	93.6	Very high	91.2	Very high	113 Å²	113	64.7 Å²	64.7	69%	0.685	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-43.2	179.8	179.5	0	0	0	0	111.3	L29	V25-L29 HydrophobicContact CG1-CD1 4.04Å; V25-L29 HydrophobicContact CG1-CG 4.37Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.06Å; V25-L29 PolarHBondContact O-N 3.43Å
26	R	95	Very high	90.6	Very high	121 Å²	121	70 Å²	70	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-66.4	-41.4	-178	-67.4	-169.5	175.8	98.3	0.1	112.1	Y24 L29 V30 D51 L54 V73	Y24-R26 VanDerWaalsContact C-N 3.34Å; Y24-R26 PolarHBondContact O-N 3.04Å; R26-L29 PolarHBondContact O-N 3.36Å; R26-V30 VanDerWaalsContact O-CG2 3.29Å; R26-V30 WeakPolarHBondContact O-CG2 3.24Å; R26-V30 PolarHBondContact O-N 2.84Å; R26-D51 IonicContact CZ-OD2 3.84Å; R26-D51 IonicContact NE-OD2 3.93Å; R26-D51 PolarHBondContact NE-OD2 3.25Å; R26-D51 IonicContact NH2-OD2 3.68Å; R26-D51 PolarHBondContact NH2-OD2 3.22Å; R26-L54 HydrophobicContact CB-CD1 4.41Å; R26-L54 HydrophobicContact CG-CD1 4.43Å; R26-V73 HydrophobicContact CB-CG1 3.65Å
27	S	93.6	Very high	89.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-68.3	-43.3	178.6	59.1	0	0	0	0	111.2	Y24 L29 V30 W31 E80	Y24-S27 WeakPolarHBondContact CB-OG 3.44Å; Y24-S27 PolarHBondContact O-N 3.45Å; Y24-S27 PolarHBondContact O-OG 3.24Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 2.96Å; S27-V30 PolarHBondContact O-N 3.36Å; S27-W31 PolarHBondContact O-N 3.24Å; S27-E80 WeakPolarHBondContact CB-OE2 3.43Å; S27-E80 PolarHBondContact OG-OE1 3.4Å; S27-E80 PolarHBondContact OG-OE2 3.03Å
28	G	93.8	Very high	89.1	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-41.2	174.2	0	0	0	0	0	112.9	W18 Y24 W31 L32	W18-G28 VanDerWaalsContact CZ2-C 3.44Å; W18-G28 WeakPolarHBondContact CZ2-O 3.47Å; W18-G28 PolarHBondContact NE1-O 2.92Å; W18-G28 VanDerWaalsContact NE1-O 3.15Å; Y24-G28 PolarHBondContact O-N 3.39Å; G28-W31 PolarHBondContact O-N 3.42Å; G28-L32 WeakPolarHBondContact O-CB 3.39Å; G28-L32 PolarHBondContact O-N 3.15Å
29	L	93.8	Very high	88.9	Confident	63 Å²	63	77.1 Å²	77.1	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-41.8	176	-76.1	175.5	0	0	0	112.3	V25 R26 S27 W31 L32 Y33 L54	V25-L29 HydrophobicContact CG1-CD1 4.04Å; V25-L29 HydrophobicContact CG1-CG 4.37Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.06Å; V25-L29 PolarHBondContact O-N 3.43Å; R26-L29 PolarHBondContact O-N 3.36Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 2.96Å; L29-W31 VanDerWaalsContact C-N 3.33Å; L29-L32 PolarHBondContact O-N 3.02Å; L29-Y33 VanDerWaalsContact O-CB 3.32Å; L29-Y33 WeakPolarHBondContact O-CB 3.11Å; L29-Y33 PolarHBondContact O-N 3.03Å; L29-L54 HydrophobicContact CB-CD1 4.39Å; L29-L54 HydrophobicContact CD1-CD1 4.44Å; L29-L54 HydrophobicContact CD1-CD2 3.97Å
30	V	93.2	Very high	88.6	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-44	174.6	168.6	0	0	0	0	110.6	R26 S27 Y33 A34 L54 A57 L58 A61 V73 V74 A77	R26-V30 VanDerWaalsContact O-CG2 3.29Å; R26-V30 WeakPolarHBondContact O-CG2 3.24Å; R26-V30 PolarHBondContact O-N 2.84Å; S27-V30 PolarHBondContact O-N 3.36Å; V30-Y33 PolarHBondContact O-N 3.37Å; V30-A34 WeakPolarHBondContact O-CB 3.47Å; V30-A34 PolarHBondContact O-N 2.86Å; V30-L54 HydrophobicContact CG2-CD1 4.45Å; V30-A57 HydrophobicContact CG2-CB 3.7Å; V30-L58 HydrophobicContact CG2-CD2 4.13Å; V30-A61 HydrophobicContact CG1-CB 3.77Å; V30-V73 HydrophobicContact CG2-CG1 3.86Å; V30-V74 HydrophobicContact CG1-CG2 4.26Å; V30-A77 HydrophobicContact CB-CB 4.22Å; V30-A77 HydrophobicContact CG1-CB 4Å
31	W	91.6	Very high	88.4	Confident	50 Å²	50	70.4 Å²	70.4	19%	0.189	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-46.4	176.3	-174.9	96	0	0	0	112	W18 H22 S27 G28 L29 Y33 A34 H35 N81	W18-W31 AromaticContact CD1-CE3 3.38Å; W18-W31 AromaticContact CD1-CZ3 3.59Å; W18-W31 AromaticContact NE1-CE3 3.7Å; H22-W31 VanDerWaalsContact CE1-CB 3.48Å; H22-W31 WeakPolarHBondContact CE1-CB 3.13Å; H22-W31 AromaticContact CE1-CD1 3.53Å; H22-W31 AromaticContact CE1-CG 3.47Å; H22-W31 VanDerWaalsContact CE1-CG 3.47Å; H22-W31 WeakPolarHBondContact NE2-CB 3.24Å; H22-W31 AromaticContact NE2-CD1 3.47Å; H22-W31 AromaticContact NE2-CD2 3.44Å; H22-W31 AromaticContact NE2-CE2 3.93Å; H22-W31 AromaticContact NE2-CG 3.15Å; H22-W31 AromaticContact NE2-NE1 3.89Å; S27-W31 PolarHBondContact O-N 3.24Å; G28-W31 PolarHBondContact O-N 3.42Å; L29-W31 VanDerWaalsContact C-N 3.33Å; W31-Y33 VanDerWaalsContact C-N 3.25Å; W31-Y33 PolarHBondContact O-N 3.41Å; W31-A34 WeakPolarHBondContact O-CB 3.14Å; W31-A34 PolarHBondContact O-N 3.22Å; W31-A34 VanDerWaalsContact O-N 3.15Å; W31-H35 AromaticContact CD1-CE1 3.38Å; W31-H35 AromaticContact CD1-ND1 3.6Å; W31-H35 AromaticContact CD2-ND1 3.62Å; W31-H35 AromaticContact CE2-CE1 3.69Å; W31-H35 AromaticContact CE2-CG 3.89Å; W31-H35 AromaticContact CE2-ND1 3.52Å; W31-H35 AromaticContact CG-CE1 3.93Å; W31-H35 AromaticContact CG-ND1 3.68Å; W31-H35 HydrophobicContact CH2-CB 4.44Å; W31-H35 HydrophobicContact CZ2-CB 4.49Å; W31-H35 AromaticContact NE1-CE1 3.21Å; W31-H35 PolarHBondContact NE1-CE1 2.95Å; W31-H35 AromaticContact NE1-ND1 3.51Å; W31-H35 AromaticContact NE1-NE2 3.75Å; W31-H35 PolarHBondContact O-N 2.91Å; W31-H35 PolarHBondContact O-ND1 3.3Å; W31-N81 PolarHBondContact NE1-OD1 3.41Å
32	L	91.6	Very high	88.3	Confident	44 Å²	44	73.3 Å²	73.3	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-37.2	179.2	-171.3	66.6	0	0	0	111	G28 L29 D36 L37	G28-L32 WeakPolarHBondContact O-CB 3.39Å; G28-L32 PolarHBondContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 3.02Å; L32-D36 HydrophobicContact CD1-CB 4.06Å; L32-D36 PolarHBondContact O-N 2.96Å; L32-L37 HydrophobicContact CB-CD1 4.27Å; L32-L37 HydrophobicContact CD2-CD1 3.57Å; L32-L37 HydrophobicContact CD2-CG 4.38Å; L32-L37 HydrophobicContact CG-CD1 3.56Å; L32-L37 HydrophobicContact CG-CG 4.04Å; L32-L37 PolarHBondContact O-N 3.18Å
33	Y	91.2	Very high	88.2	Confident	37 Å²	37	77.3 Å²	77.3	15%	0.145	38%	0.377	C	S	.	.	H	α-helix	trans	-68.9	-39.4	173.7	-173.8	-92.7	0	0	0	113.7	L29 V30 W31 L37 L39 W44 L58 A61	L29-Y33 VanDerWaalsContact O-CB 3.32Å; L29-Y33 WeakPolarHBondContact O-CB 3.11Å; L29-Y33 PolarHBondContact O-N 3.03Å; V30-Y33 PolarHBondContact O-N 3.37Å; W31-Y33 VanDerWaalsContact C-N 3.25Å; W31-Y33 PolarHBondContact O-N 3.41Å; Y33-L37 HydrophobicContact CD2-CB 4.29Å; Y33-L37 WeakPolarHBondContact CD2-O 3.46Å; Y33-L39 HydrophobicContact CE2-CB 4.21Å; Y33-L39 WeakPolarHBondContact CE2-O 3.28Å; Y33-L39 PolarHBondContact OH-O 2.74Å; Y33-W44 AromaticContact CE2-CZ2 3.97Å; Y33-W44 HydrophobicContact CE2-CZ2 3.97Å; Y33-W44 AromaticContact CE2-NE1 3.74Å; Y33-W44 AromaticContact CZ-CZ2 3.72Å; Y33-W44 WeakPolarHBondContact OH-CZ2 3.42Å; Y33-L58 HydrophobicContact CD1-CB 4.5Å; Y33-L58 HydrophobicContact CD1-CD2 4.3Å; Y33-L58 WeakPolarHBondContact CD1-O 3.42Å; Y33-L58 HydrophobicContact CD2-CD2 4.44Å; Y33-L58 WeakPolarHBondContact CE1-O 3.43Å; Y33-L58 HydrophobicContact CG-CD2 3.88Å; Y33-A61 HydrophobicContact CD1-CB 3.77Å; Y33-A61 HydrophobicContact CE1-CB 4.48Å
34	A	88	Confident	88.3	Confident	17 Å²	17	71.6 Å²	71.6	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-42.1	176.2	0	0	0	0	0	112.6	V30 W31 A61 N62	V30-A34 WeakPolarHBondContact O-CB 3.47Å; V30-A34 PolarHBondContact O-N 2.86Å; W31-A34 WeakPolarHBondContact O-CB 3.14Å; W31-A34 PolarHBondContact O-N 3.22Å; W31-A34 VanDerWaalsContact O-N 3.15Å; A34-A61 HydrophobicContact CB-CB 3.99Å; A34-N62 WeakPolarHBondContact CA-OD1 3.36Å; A34-N62 WeakPolarHBondContact CB-OD1 3.48Å; A34-N62 PolarHBondContact O-ND2 3.35Å; A34-N62 PolarHBondContact O-OD1 3.35Å; A34-N62 VanDerWaalsContact O-OD1 3.13Å
35	H	84	Confident	88.3	Confident	102 Å²	102	72 Å²	72	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-97.9	-42.7	-168.3	-64.1	79.3	0	0	0	113.9	W31	W31-H35 AromaticContact CD1-CE1 3.38Å; W31-H35 AromaticContact CD1-ND1 3.6Å; W31-H35 AromaticContact CD2-ND1 3.62Å; W31-H35 AromaticContact CE2-CE1 3.69Å; W31-H35 AromaticContact CE2-CG 3.89Å; W31-H35 AromaticContact CE2-ND1 3.52Å; W31-H35 AromaticContact CG-CE1 3.93Å; W31-H35 AromaticContact CG-ND1 3.68Å; W31-H35 HydrophobicContact CH2-CB 4.44Å; W31-H35 HydrophobicContact CZ2-CB 4.49Å; W31-H35 AromaticContact NE1-CE1 3.21Å; W31-H35 PolarHBondContact NE1-CE1 2.95Å; W31-H35 AromaticContact NE1-ND1 3.51Å; W31-H35 AromaticContact NE1-NE2 3.75Å; W31-H35 PolarHBondContact O-N 2.91Å; W31-H35 PolarHBondContact O-ND1 3.3Å
36	D	78.3	Confident	88.3	Confident	122 Å²	122	74.9 Å²	74.9	65%	0.652	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-41.3	-163.9	-158.5	21.6	0	0	0	112.8	L32 R38	L32-D36 HydrophobicContact CD1-CB 4.06Å; L32-D36 PolarHBondContact O-N 2.96Å; D36-R38 PolarHBondContact O-N 2.88Å
37	L	76.4	Confident	88.3	Confident	64 Å²	64	70 Å²	70	34%	0.335	34%	0.344	S	S	.	.			trans	-87.4	93.3	-178.4	-62.9	159.8	0	0	0	111.6	L32 Y33 L39	L32-L37 HydrophobicContact CB-CD1 4.27Å; L32-L37 HydrophobicContact CD2-CD1 3.57Å; L32-L37 HydrophobicContact CD2-CG 4.38Å; L32-L37 HydrophobicContact CG-CD1 3.56Å; L32-L37 HydrophobicContact CG-CG 4.04Å; L32-L37 PolarHBondContact O-N 3.18Å; Y33-L37 HydrophobicContact CD2-CB 4.29Å; Y33-L37 WeakPolarHBondContact CD2-O 3.46Å; L37-L39 HydrophobicContact CB-CD1 4.37Å; L37-L39 HydrophobicContact CB-CG 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4.11Å; L37-L39 HydrophobicContact CD2-CG 4.39Å; L37-L39 PolarHBondContact O-N 2.71Å
38	R	74.6	Confident	88.3	Confident	241 Å²	241	74.8 Å²	74.8	91%	0.909	37%	0.365	S	S	*	.			trans	-79.1	45.7	168.7	-61.2	-175.8	178.3	-165.4	-0.8	112.8	D36 T40	D36-R38 PolarHBondContact O-N 2.88Å; R38-T40 PolarHBondContact O-N 3.37Å
39	L	84.1	Confident	88.3	Confident	79 Å²	79	78.4 Å²	78.4	41%	0.414	40%	0.403	S	S	.	.			trans	-77.2	118.6	179.2	-67.9	173.4	0	0	0	110	Y33 L37 W44	Y33-L39 HydrophobicContact CE2-CB 4.21Å; Y33-L39 WeakPolarHBondContact CE2-O 3.28Å; Y33-L39 PolarHBondContact OH-O 2.74Å; L37-L39 HydrophobicContact CB-CD1 4.37Å; L37-L39 HydrophobicContact CB-CG 4.29Å; L37-L39 HydrophobicContact CD2-CD1 4.11Å; L37-L39 HydrophobicContact CD2-CG 4.39Å; L37-L39 PolarHBondContact O-N 2.71Å; L39-W44 PolarHBondContact O-NE1 3.39Å; L39-W44 VanDerWaalsContact O-NE1 3.15Å
40	T	85.4	Confident	88.4	Confident	82 Å²	82	80.6 Å²	80.6	50%	0.503	42%	0.418	S	S	.	.			trans	-62	142.8	175.9	53.7	0	0	0	0	111.3	R38 P42 N43 W44	R38-T40 PolarHBondContact O-N 3.37Å; T40-P42 VanDerWaalsContact C-N 3.3Å; T40-P42 WeakPolarHBondContact O-CD 3.3Å; T40-P42 VanDerWaalsContact O-N 3.1Å; T40-N43 WeakPolarHBondContact O-CB 3.32Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 PolarHBondContact OG1-ND2 3.03Å; T40-N43 VanDerWaalsContact OG1-ND2 3.13Å; T40-W44 PolarHBondContact O-NE1 3.37Å
41	P	83.4	Confident	88.5	Confident	53 Å²	53	81.9 Å²	81.9	34%	0.344	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-47.7	-35.6	-177.9	-30.1	35.4	0	0	0	117.3	N43 W44 L45	P41-N43 PolarHBondContact O-N 2.97Å; P41-N43 VanDerWaalsContact O-N 3.15Å; P41-W44 HydrophobicContact CB-CZ2 4.11Å; P41-W44 HydrophobicContact CG-CZ2 4.14Å; P41-W44 PolarHBondContact O-N 3.24Å; P41-L45 PolarHBondContact O-N 2.86Å
42	P	87	Confident	88.7	Confident	100 Å²	100	85.6 Å²	85.6	65%	0.649	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.8	178.1	-27.8	37.3	0	0	0	114.3	T40 W44	T40-P42 VanDerWaalsContact C-N 3.3Å; T40-P42 WeakPolarHBondContact O-CD 3.3Å; T40-P42 VanDerWaalsContact O-N 3.1Å; P42-W44 PolarHBondContact O-N 2.89Å
43	N	90.2	Very high	88.8	Confident	98 Å²	98	86.1 Å²	86.1	52%	0.524	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-69.6	-18	-177	-67.2	-37.5	0	0	0	113.7	T40 P41 W46	T40-N43 WeakPolarHBondContact O-CB 3.32Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 PolarHBondContact OG1-ND2 3.03Å; T40-N43 VanDerWaalsContact OG1-ND2 3.13Å; P41-N43 PolarHBondContact O-N 2.97Å; P41-N43 VanDerWaalsContact O-N 3.15Å; N43-W46 PolarHBondContact O-NE1 3.15Å
44	W	92.1	Very high	89	Confident	17 Å²	17	85.1 Å²	85.1	6%	0.064	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-135.1	21.5	-174.3	51.4	-91.2	0	0	0	112.5	Y33 L39 T40 P41 P42 W46 L47 F55 L58 H59	Y33-W44 AromaticContact CE2-CZ2 3.97Å; Y33-W44 HydrophobicContact CE2-CZ2 3.97Å; Y33-W44 AromaticContact CE2-NE1 3.74Å; Y33-W44 AromaticContact CZ-CZ2 3.72Å; Y33-W44 WeakPolarHBondContact OH-CZ2 3.42Å; L39-W44 PolarHBondContact O-NE1 3.39Å; L39-W44 VanDerWaalsContact O-NE1 3.15Å; T40-W44 PolarHBondContact O-NE1 3.37Å; P41-W44 HydrophobicContact CB-CZ2 4.11Å; P41-W44 HydrophobicContact CG-CZ2 4.14Å; P41-W44 PolarHBondContact O-N 3.24Å; P42-W44 PolarHBondContact O-N 2.89Å; W44-W46 PolarHBondContact O-N 3.41Å; W44-L47 HydrophobicContact CE3-CD2 4.15Å; W44-L47 WeakPolarHBondContact O-CB 3.48Å; W44-L47 PolarHBondContact O-N 3.5Å; W44-F55 HydrophobicContact CE3-CD2 4.05Å; W44-F55 HydrophobicContact CE3-CE2 4.3Å; W44-F55 AromaticContact CZ3-CD2 3.74Å; W44-F55 HydrophobicContact CZ3-CD2 3.74Å; W44-F55 AromaticContact CZ3-CE2 4Å; W44-F55 HydrophobicContact CZ3-CE2 4Å; W44-F55 HydrophobicContact CZ3-CG 4.44Å; W44-L58 HydrophobicContact CE3-CD1 4.35Å; W44-L58 HydrophobicContact CH2-CB 3.7Å; W44-L58 HydrophobicContact CZ2-CB 4.37Å; W44-L58 HydrophobicContact CZ3-CB 3.88Å; W44-L58 HydrophobicContact CZ3-CD1 4.32Å; W44-H59 HydrophobicContact CH2-CB 4.49Å; W44-H59 AromaticContact CH2-CE1 3.13Å; W44-H59 WeakPolarHBondContact CH2-CE1 3.08Å; W44-H59 AromaticContact CH2-CG 3.79Å; W44-H59 AromaticContact CH2-ND1 3.11Å; W44-H59 WeakPolarHBondContact CH2-ND1 3.32Å; W44-H59 AromaticContact CH2-NE2 3.89Å; W44-H59 AromaticContact CZ3-CE1 3.24Å; W44-H59 WeakPolarHBondContact CZ3-CE1 3.34Å; W44-H59 AromaticContact CZ3-ND1 3.3Å; W44-H59 VanDerWaalsContact CZ3-ND1 3.3Å; W44-H59 WeakPolarHBondContact CZ3-ND1 3.36Å
45	L	92.6	Very high	89.3	Confident	103 Å²	103	84.8 Å²	84.8	54%	0.539	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-59.2	-32.5	179.2	-170.9	64.8	0	0	0	113.2	P41 L47 K48 F55	P41-L45 PolarHBondContact O-N 2.86Å; L45-L47 PolarHBondContact O-N 3.38Å; L45-L47 VanDerWaalsContact O-N 3.13Å; L45-K48 WeakPolarHBondContact O-CB 3.38Å; L45-K48 PolarHBondContact O-N 2.88Å; L45-K48 VanDerWaalsContact O-N 3.12Å; L45-F55 HydrophobicContact CD1-CE2 4.03Å; L45-F55 HydrophobicContact CD1-CZ 4.12Å
46	W	94.7	Very high	89.8	Confident	174 Å²	174	81.5 Å²	81.5	66%	0.659	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.1	175.3	60.6	-96	0	0	0	112.9	N43 W44 K48 G49 V50	N43-W46 PolarHBondContact O-NE1 3.15Å; W44-W46 PolarHBondContact O-N 3.41Å; W46-K48 PolarHBondContact O-N 3.44Å; W46-G49 PolarHBondContact O-N 2.95Å; W46-G49 VanDerWaalsContact O-N 3.16Å; W46-V50 HydrophobicContact CE3-CG2 3.99Å; W46-V50 HydrophobicContact CZ3-CG2 4.16Å
47	L	94.5	Very high	90.6	Very high	18 Å²	18	75.7 Å²	75.7	9%	0.094	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.9	178.8	-173.9	63.7	0	0	0	112.1	W44 L45 G49 V50 D51 L54 F55 L58	W44-L47 HydrophobicContact CE3-CD2 4.15Å; W44-L47 WeakPolarHBondContact O-CB 3.48Å; W44-L47 PolarHBondContact O-N 3.5Å; L45-L47 PolarHBondContact O-N 3.38Å; L45-L47 VanDerWaalsContact O-N 3.13Å; L47-G49 PolarHBondContact O-N 3.39Å; L47-V50 PolarHBondContact O-N 2.58Å; L47-D51 HydrophobicContact CD1-CB 4.4Å; L47-D51 CarbonylContact O-C 3.53Å; L47-D51 PolarHBondContact O-N 2.94Å; L47-L54 HydrophobicContact CD1-CD2 4.31Å; L47-L54 HydrophobicContact CD2-CD2 4.17Å; L47-L54 HydrophobicContact CD2-CG 4.11Å; L47-F55 HydrophobicContact CB-CD2 4.35Å; L47-F55 HydrophobicContact CG-CB 4.39Å; L47-L58 HydrophobicContact CD2-CD1 3.56Å
48	K	93.9	Very high	91.3	Very high	102 Å²	102	73.4 Å²	73.4	44%	0.443	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-56.3	-36.1	177.2	-168.2	176.5	179.7	-179.1	0	112.7	L45 W46 F55	L45-K48 WeakPolarHBondContact O-CB 3.38Å; L45-K48 PolarHBondContact O-N 2.88Å; L45-K48 VanDerWaalsContact O-N 3.12Å; W46-K48 PolarHBondContact O-N 3.44Å; K48-F55 HydrophobicContact CB-CD1 4.12Å; K48-F55 HydrophobicContact CB-CD2 3.59Å; K48-F55 HydrophobicContact CB-CE1 4.2Å; K48-F55 HydrophobicContact CB-CE2 3.66Å; K48-F55 HydrophobicContact CB-CG 3.81Å; K48-F55 HydrophobicContact CB-CZ 3.98Å; K48-F55 HydrophobicContact CD-CD1 4.36Å; K48-F55 HydrophobicContact CD-CE1 3.87Å; K48-F55 HydrophobicContact CD-CE2 4.44Å; K48-F55 HydrophobicContact CD-CZ 3.9Å; K48-F55 HydrophobicContact CG-CD1 3.92Å; K48-F55 HydrophobicContact CG-CD2 4.31Å; K48-F55 HydrophobicContact CG-CE1 3.94Å; K48-F55 HydrophobicContact CG-CE2 4.3Å; K48-F55 HydrophobicContact CG-CG 4.1Å; K48-F55 HydrophobicContact CG-CZ 4.12Å
49	G	94.6	Very high	92	Very high	77 Å²	77	64.8 Å²	64.8	79%	0.794	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-83.2	-9.8	178.9	0	0	0	0	0	114.3	W46 L47	W46-G49 PolarHBondContact O-N 2.95Å; W46-G49 VanDerWaalsContact O-N 3.16Å; L47-G49 PolarHBondContact O-N 3.39Å
50	V	95.3	Very high	91.8	Very high	109 Å²	109	64.9 Å²	64.9	66%	0.661	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-50.8	-176	-179.9	0	0	0	0	111.2	W46 L47	W46-V50 HydrophobicContact CE3-CG2 3.99Å; W46-V50 HydrophobicContact CZ3-CG2 4.16Å; L47-V50 PolarHBondContact O-N 2.58Å
51	D	95.2	Very high	91.9	Very high	31 Å²	31	61.4 Å²	61.4	17%	0.166	32%	0.322	C	S	.	.			trans	-141.5	96	177.6	-170.6	-29.5	0	0	0	109.2	R26 L47 T53 L54 F55	R26-D51 IonicContact CZ-OD2 3.84Å; R26-D51 IonicContact NE-OD2 3.93Å; R26-D51 PolarHBondContact NE-OD2 3.25Å; R26-D51 IonicContact NH2-OD2 3.68Å; R26-D51 PolarHBondContact NH2-OD2 3.22Å; L47-D51 HydrophobicContact CD1-CB 4.4Å; L47-D51 CarbonylContact O-C 3.53Å; L47-D51 PolarHBondContact O-N 2.94Å; D51-T53 PolarHBondContact OD1-N 3.22Å; D51-L54 HydrophobicContact CB-CB 3.96Å; D51-L54 VanDerWaalsContact CG-CB 3.46Å; D51-L54 PolarHBondContact O-N 3.39Å; D51-L54 WeakPolarHBondContact OD1-CB 3.19Å; D51-L54 PolarHBondContact OD1-N 3.09Å; D51-F55 VanDerWaalsContact O-CB 3.28Å; D51-F55 WeakPolarHBondContact O-CB 3.18Å; D51-F55 PolarHBondContact O-N 2.76Å
52	R	94.9	Very high	91.7	Very high	127 Å²	127	64.4 Å²	64.4	48%	0.479	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-39.7	-178.3	-176.4	173.6	168.7	137.8	4.2	112.1	F55 Y56 E69	R52-F55 WeakPolarHBondContact O-CB 3.38Å; R52-F55 PolarHBondContact O-N 3.01Å; R52-Y56 HydrophobicContact CG-CD2 3.76Å; R52-Y56 HydrophobicContact CG-CE2 3.5Å; R52-Y56 VanDerWaalsContact CG-CE2 3.5Å; R52-Y56 WeakPolarHBondContact O-CD2 3.42Å; R52-Y56 PolarHBondContact O-N 2.77Å; R52-E69 WeakPolarHBondContact CD-OE2 3.47Å; R52-E69 WeakPolarHBondContact CG-OE2 3.46Å; R52-E69 IonicContact CZ-OE1 2.85Å; R52-E69 IonicContact CZ-OE2 2.67Å; R52-E69 IonicContact NE-OE1 3.01Å; R52-E69 PolarHBondContact NE-OE1 3.27Å; R52-E69 IonicContact NE-OE2 2.88Å; R52-E69 PolarHBondContact NE-OE2 3.2Å; R52-E69 IonicContact NH2-OE1 2.69Å; R52-E69 PolarHBondContact NH2-OE1 3.24Å; R52-E69 IonicContact NH2-OE2 3.24Å
53	T	95.5	Very high	91.4	Very high	56 Å²	56	61.9 Å²	61.9	34%	0.344	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-48.4	177.5	-64.6	0	0	0	0	111.1	D51 Y56 A57 E69 V73	D51-T53 PolarHBondContact OD1-N 3.22Å; T53-Y56 PolarHBondContact O-N 3.22Å; T53-A57 WeakPolarHBondContact O-CB 3.08Å; T53-A57 PolarHBondContact O-N 2.99Å; T53-E69 WeakPolarHBondContact CG2-O 3.44Å; T53-V73 HydrophobicContact CG2-CG2 3.83Å
54	L	94.9	Very high	90.7	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-40.9	176.6	-178.6	61.4	0	0	0	111.3	R26 L29 V30 L47 D51 Y56 A57 L58	R26-L54 HydrophobicContact CB-CD1 4.41Å; R26-L54 HydrophobicContact CG-CD1 4.43Å; L29-L54 HydrophobicContact CB-CD1 4.39Å; L29-L54 HydrophobicContact CD1-CD1 4.44Å; L29-L54 HydrophobicContact CD1-CD2 3.97Å; V30-L54 HydrophobicContact CG2-CD1 4.45Å; L47-L54 HydrophobicContact CD1-CD2 4.31Å; L47-L54 HydrophobicContact CD2-CD2 4.17Å; L47-L54 HydrophobicContact CD2-CG 4.11Å; D51-L54 HydrophobicContact CB-CB 3.96Å; D51-L54 VanDerWaalsContact CG-CB 3.46Å; D51-L54 PolarHBondContact O-N 3.39Å; D51-L54 WeakPolarHBondContact OD1-CB 3.19Å; D51-L54 PolarHBondContact OD1-N 3.09Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 PolarHBondContact O-N 3.2Å; L54-A57 PolarHBondContact O-N 3.3Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.3Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.13Å; L54-L58 HydrophobicContact CG-CG 4.21Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.08Å
55	F	94.3	Very high	89.9	Confident	11 Å²	11	70.5 Å²	70.5	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-54.6	-47.6	176	174.9	-91.4	0	0	0	112.1	W44 L45 L47 K48 D51 R52 H59	W44-F55 HydrophobicContact CE3-CD2 4.05Å; W44-F55 HydrophobicContact CE3-CE2 4.3Å; W44-F55 AromaticContact CZ3-CD2 3.74Å; W44-F55 HydrophobicContact CZ3-CD2 3.74Å; W44-F55 AromaticContact CZ3-CE2 4Å; W44-F55 HydrophobicContact CZ3-CE2 4Å; W44-F55 HydrophobicContact CZ3-CG 4.44Å; L45-F55 HydrophobicContact CD1-CE2 4.03Å; L45-F55 HydrophobicContact CD1-CZ 4.12Å; L47-F55 HydrophobicContact CB-CD2 4.35Å; L47-F55 HydrophobicContact CG-CB 4.39Å; K48-F55 HydrophobicContact CB-CD1 4.12Å; K48-F55 HydrophobicContact CB-CD2 3.59Å; K48-F55 HydrophobicContact CB-CE1 4.2Å; K48-F55 HydrophobicContact CB-CE2 3.66Å; K48-F55 HydrophobicContact CB-CG 3.81Å; K48-F55 HydrophobicContact CB-CZ 3.98Å; K48-F55 HydrophobicContact CD-CD1 4.36Å; K48-F55 HydrophobicContact CD-CE1 3.87Å; K48-F55 HydrophobicContact CD-CE2 4.44Å; K48-F55 HydrophobicContact CD-CZ 3.9Å; K48-F55 HydrophobicContact CG-CD1 3.92Å; K48-F55 HydrophobicContact CG-CD2 4.31Å; K48-F55 HydrophobicContact CG-CE1 3.94Å; K48-F55 HydrophobicContact CG-CE2 4.3Å; K48-F55 HydrophobicContact CG-CG 4.1Å; K48-F55 HydrophobicContact CG-CZ 4.12Å; D51-F55 VanDerWaalsContact O-CB 3.28Å; D51-F55 WeakPolarHBondContact O-CB 3.18Å; D51-F55 PolarHBondContact O-N 2.76Å; R52-F55 WeakPolarHBondContact O-CB 3.38Å; R52-F55 PolarHBondContact O-N 3.01Å; F55-H59 AromaticContact CD1-ND1 3.88Å; F55-H59 AromaticContact CD2-CE1 3.88Å; F55-H59 AromaticContact CE1-CE1 3.55Å; F55-H59 AromaticContact CE1-ND1 3.62Å; F55-H59 AromaticContact CE2-CE1 3.24Å; F55-H59 WeakPolarHBondContact CE2-CE1 3.29Å; F55-H59 AromaticContact CE2-ND1 3.84Å; F55-H59 AromaticContact CZ-CE1 3.06Å; F55-H59 WeakPolarHBondContact CZ-CE1 3.32Å; F55-H59 AromaticContact CZ-ND1 3.61Å; F55-H59 AromaticContact CZ-NE2 3.82Å; F55-H59 PolarHBondContact O-N 2.91Å; F55-H59 PolarHBondContact O-ND1 3Å
56	Y	94.4	Very high	89.2	Confident	32 Å²	32	68 Å²	68	13%	0.125	36%	0.361	C	S	.	.	H	α-helix	trans	-73.3	-33.1	178.8	-76.1	-57.6	0	0	0	113.5	R52 T53 L54 F67 E69	R52-Y56 HydrophobicContact CG-CD2 3.76Å; R52-Y56 HydrophobicContact CG-CE2 3.5Å; R52-Y56 VanDerWaalsContact CG-CE2 3.5Å; R52-Y56 WeakPolarHBondContact O-CD2 3.42Å; R52-Y56 PolarHBondContact O-N 2.77Å; T53-Y56 PolarHBondContact O-N 3.22Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 PolarHBondContact O-N 3.2Å; Y56-F67 HydrophobicContact CD1-CB 4.11Å; Y56-F67 HydrophobicContact CD1-CD1 4.23Å; Y56-F67 AromaticContact CD1-CD2 3.52Å; Y56-F67 HydrophobicContact CD1-CD2 3.52Å; Y56-F67 AromaticContact CD1-CE2 3.93Å; Y56-F67 HydrophobicContact CD1-CE2 3.93Å; Y56-F67 AromaticContact CD1-CG 3.7Å; Y56-F67 HydrophobicContact CD1-CG 3.7Å; Y56-F67 HydrophobicContact CD1-CZ 4.44Å; Y56-F67 HydrophobicContact CE1-CD1 4.39Å; Y56-F67 HydrophobicContact CE1-CD2 4.31Å; Y56-F67 HydrophobicContact CE1-CE1 4.49Å; Y56-F67 HydrophobicContact CE1-CE2 4.42Å; Y56-F67 HydrophobicContact CE1-CG 4.3Å; Y56-F67 HydrophobicContact CG-CB 4.22Å; Y56-F67 HydrophobicContact CG-CD2 4.28Å; Y56-F67 HydrophobicContact CG-CG 4.3Å; Y56-E69 HydrophobicContact CD2-CB 4Å; Y56-E69 HydrophobicContact CD2-CG 4.46Å; Y56-E69 WeakPolarHBondContact CD2-OE2 3.38Å; Y56-E69 WeakPolarHBondContact CE2-OE2 3.47Å
57	A	94.1	Very high	89.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-45.2	174.3	0	0	0	0	0	111.6	V30 T53 L54 R60 A61 V73 V74	V30-A57 HydrophobicContact CG2-CB 3.7Å; T53-A57 WeakPolarHBondContact O-CB 3.08Å; T53-A57 PolarHBondContact O-N 2.99Å; L54-A57 PolarHBondContact O-N 3.3Å; A57-R60 CarbonylContact O-C 3.56Å; A57-R60 PolarHBondContact O-N 3.13Å; A57-A61 PolarHBondContact O-N 3.15Å; A57-A61 VanDerWaalsContact O-N 3.08Å; A57-V73 HydrophobicContact CB-CB 3.99Å; A57-V73 HydrophobicContact CB-CG1 4.07Å; A57-V74 HydrophobicContact CB-CG2 4.14Å
58	L	92.9	Very high	89	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-42.4	178.1	-70.8	-178.1	0	0	0	112.6	V30 Y33 W44 L47 L54 R60 A61	V30-L58 HydrophobicContact CG2-CD2 4.13Å; Y33-L58 HydrophobicContact CD1-CB 4.5Å; Y33-L58 HydrophobicContact CD1-CD2 4.3Å; Y33-L58 WeakPolarHBondContact CD1-O 3.42Å; Y33-L58 HydrophobicContact CD2-CD2 4.44Å; Y33-L58 WeakPolarHBondContact CE1-O 3.43Å; Y33-L58 HydrophobicContact CG-CD2 3.88Å; W44-L58 HydrophobicContact CE3-CD1 4.35Å; W44-L58 HydrophobicContact CH2-CB 3.7Å; W44-L58 HydrophobicContact CZ2-CB 4.37Å; W44-L58 HydrophobicContact CZ3-CB 3.88Å; W44-L58 HydrophobicContact CZ3-CD1 4.32Å; L47-L58 HydrophobicContact CD2-CD1 3.56Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.3Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.13Å; L54-L58 HydrophobicContact CG-CG 4.21Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.08Å; L58-R60 PolarHBondContact O-N 2.83Å; L58-A61 PolarHBondContact O-N 2.87Å
59	H	88.5	Confident	89	Confident	61 Å²	61	67.2 Å²	67.2	28%	0.282	37%	0.368	S	S	.	.	H	α-helix	trans	-55	-25.7	177.1	-89.6	79.8	0	0	0	113.4	W44 F55 F67	W44-H59 HydrophobicContact CH2-CB 4.49Å; W44-H59 AromaticContact CH2-CE1 3.13Å; W44-H59 WeakPolarHBondContact CH2-CE1 3.08Å; W44-H59 AromaticContact CH2-CG 3.79Å; W44-H59 AromaticContact CH2-ND1 3.11Å; W44-H59 WeakPolarHBondContact CH2-ND1 3.32Å; W44-H59 AromaticContact CH2-NE2 3.89Å; W44-H59 AromaticContact CZ3-CE1 3.24Å; W44-H59 WeakPolarHBondContact CZ3-CE1 3.34Å; W44-H59 AromaticContact CZ3-ND1 3.3Å; W44-H59 VanDerWaalsContact CZ3-ND1 3.3Å; W44-H59 WeakPolarHBondContact CZ3-ND1 3.36Å; F55-H59 AromaticContact CD1-ND1 3.88Å; F55-H59 AromaticContact CD2-CE1 3.88Å; F55-H59 AromaticContact CE1-CE1 3.55Å; F55-H59 AromaticContact CE1-ND1 3.62Å; F55-H59 AromaticContact CE2-CE1 3.24Å; F55-H59 WeakPolarHBondContact CE2-CE1 3.29Å; F55-H59 AromaticContact CE2-ND1 3.84Å; F55-H59 AromaticContact CZ-CE1 3.06Å; F55-H59 WeakPolarHBondContact CZ-CE1 3.32Å; F55-H59 AromaticContact CZ-ND1 3.61Å; F55-H59 AromaticContact CZ-NE2 3.82Å; F55-H59 PolarHBondContact O-N 2.91Å; F55-H59 PolarHBondContact O-ND1 3Å; H59-F67 HydrophobicContact CB-CE2 4.24Å
60	R	80.8	Confident	89	Confident	80 Å²	80	63.7 Å²	63.7	30%	0.302	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	8.3	-171.3	-63.4	-61.3	-164.8	170.8	2.9	113.9	A57 L58 N62 T63 K65 F67	A57-R60 CarbonylContact O-C 3.56Å; A57-R60 PolarHBondContact O-N 3.13Å; L58-R60 PolarHBondContact O-N 2.83Å; R60-N62 PolarHBondContact O-N 3.03Å; R60-N62 VanDerWaalsContact O-N 3.11Å; R60-T63 WeakPolarHBondContact CA-OG1 3.15Å; R60-T63 WeakPolarHBondContact CD-OG1 3.4Å; R60-T63 PolarHBondContact O-N 3.2Å; R60-T63 PolarHBondContact O-OG1 3.13Å; R60-K65 WeakPolarHBondContact CD-O 3.48Å; R60-K65 PolarHBondContact NE-O 3.01Å; R60-F67 HydrophobicContact CG-CD2 3.48Å; R60-F67 VanDerWaalsContact CG-CD2 3.48Å; R60-F67 HydrophobicContact CG-CE2 3.75Å; R60-F67 HydrophobicContact CG-CG 4.5Å
61	A	85.7	Confident	88.9	Confident	10 Å²	10	59.6 Å²	59.6	8%	0.083	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.3	-178.2	0	0	0	0	0	113.2	V30 Y33 A34 A57 L58	V30-A61 HydrophobicContact CG1-CB 3.77Å; Y33-A61 HydrophobicContact CD1-CB 3.77Å; Y33-A61 HydrophobicContact CE1-CB 4.48Å; A34-A61 HydrophobicContact CB-CB 3.99Å; A57-A61 PolarHBondContact O-N 3.15Å; A57-A61 VanDerWaalsContact O-N 3.08Å; L58-A61 PolarHBondContact O-N 2.87Å
62	N	80.7	Confident	88.8	Confident	115 Å²	115	59.3 Å²	59.3	62%	0.615	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	15.5	-179.3	-81.6	-16.6	0	0	0	115.1	A34 R60	A34-N62 WeakPolarHBondContact CA-OD1 3.36Å; A34-N62 WeakPolarHBondContact CB-OD1 3.48Å; A34-N62 PolarHBondContact O-ND2 3.35Å; A34-N62 PolarHBondContact O-OD1 3.35Å; A34-N62 VanDerWaalsContact O-OD1 3.13Å; R60-N62 PolarHBondContact O-N 3.03Å; R60-N62 VanDerWaalsContact O-N 3.11Å
63	T	80.3	Confident	88.8	Confident	47 Å²	47	54.4 Å²	54.4	29%	0.288	30%	0.297	S	S	.	.			trans	-126.6	149.8	-175.6	67.5	0	0	0	0	111.6	R60 K65 R78	R60-T63 WeakPolarHBondContact CA-OG1 3.15Å; R60-T63 WeakPolarHBondContact CD-OG1 3.4Å; R60-T63 PolarHBondContact O-N 3.2Å; R60-T63 PolarHBondContact O-OG1 3.13Å; T63-K65 PolarHBondContact OG1-O 2.85Å; T63-R78 PolarHBondContact O-NH2 3.41Å
64	T	74.8	Confident	88.8	Confident	132 Å²	132	52.3 Å²	52.3	81%	0.81	28%	0.284	S	S	*	.	S	Bend	trans	-75.8	-32.7	-179.5	49.9	0	0	0	0	112.8
65	K	75.2	Confident	88.7	Confident	164 Å²	164	51.7 Å²	51.7	71%	0.713	28%	0.282	S	S	*	.	S	Bend	trans	-92	108.9	177.6	-65.3	-173.3	178.2	-178	0	110.7	R60 T63	R60-K65 WeakPolarHBondContact CD-O 3.48Å; R60-K65 PolarHBondContact NE-O 3.01Å; T63-K65 PolarHBondContact OG1-O 2.85Å
66	G	79.1	Confident	88.7	Confident	50 Å²	50	51.9 Å²	51.9	52%	0.515	28%	0.284	S	S	.	.			trans	-90.1	165.9	-179.7	0	0	0	0	0	113.9
67	F	91.2	Very high	88.7	Confident	83 Å²	83	50.6 Å²	50.6	36%	0.364	28%	0.28	S	S	.	.			trans	-87.8	135.2	158.9	-64.9	-77.5	0	0	0	108.1	Y56 H59 R60 E69 G70 A71	Y56-F67 HydrophobicContact CD1-CB 4.11Å; Y56-F67 HydrophobicContact CD1-CD1 4.23Å; Y56-F67 AromaticContact CD1-CD2 3.52Å; Y56-F67 HydrophobicContact CD1-CD2 3.52Å; Y56-F67 AromaticContact CD1-CE2 3.93Å; Y56-F67 HydrophobicContact CD1-CE2 3.93Å; Y56-F67 AromaticContact CD1-CG 3.7Å; Y56-F67 HydrophobicContact CD1-CG 3.7Å; Y56-F67 HydrophobicContact CD1-CZ 4.44Å; Y56-F67 HydrophobicContact CE1-CD1 4.39Å; Y56-F67 HydrophobicContact CE1-CD2 4.31Å; Y56-F67 HydrophobicContact CE1-CE1 4.49Å; Y56-F67 HydrophobicContact CE1-CE2 4.42Å; Y56-F67 HydrophobicContact CE1-CG 4.3Å; Y56-F67 HydrophobicContact CG-CB 4.22Å; Y56-F67 HydrophobicContact CG-CD2 4.28Å; Y56-F67 HydrophobicContact CG-CG 4.3Å; H59-F67 HydrophobicContact CB-CE2 4.24Å; R60-F67 HydrophobicContact CG-CD2 3.48Å; R60-F67 VanDerWaalsContact CG-CD2 3.48Å; R60-F67 HydrophobicContact CG-CE2 3.75Å; R60-F67 HydrophobicContact CG-CG 4.5Å; F67-E69 PolarHBondContact O-N 2.82Å; F67-E69 VanDerWaalsContact O-N 3.13Å; F67-G70 PolarHBondContact O-N 3.4Å; F67-A71 PolarHBondContact O-N 3.21Å
68	I	93.1	Very high	88.6	Confident	119 Å²	119	53.8 Å²	53.8	61%	0.61	29%	0.292	S	S	*	.	H	α-helix	trans	-53.5	-37.7	-178	-167.1	175.3	0	0	0	112.6	G70 A71 L102	I68-G70 PolarHBondContact O-N 3.19Å; I68-A71 PolarHBondContact O-N 3.36Å; I68-L102 HydrophobicContact CD1-CD1 3.52Å; I68-L102 HydrophobicContact CD1-CD2 3.93Å; I68-L102 HydrophobicContact CD1-CG 4.34Å; I68-L102 HydrophobicContact CG1-CD1 4.35Å
69	E	93.7	Very high	88.7	Confident	77 Å²	77	53.8 Å²	53.8	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-27.9	-179.2	-61.8	-175	-151.9	0	0	113.9	R52 T53 Y56 F67	R52-E69 WeakPolarHBondContact CD-OE2 3.47Å; R52-E69 WeakPolarHBondContact CG-OE2 3.46Å; R52-E69 IonicContact CZ-OE1 2.85Å; R52-E69 IonicContact CZ-OE2 2.67Å; R52-E69 IonicContact NE-OE1 3.01Å; R52-E69 PolarHBondContact NE-OE1 3.27Å; R52-E69 IonicContact NE-OE2 2.88Å; R52-E69 PolarHBondContact NE-OE2 3.2Å; R52-E69 IonicContact NH2-OE1 2.69Å; R52-E69 PolarHBondContact NH2-OE1 3.24Å; R52-E69 IonicContact NH2-OE2 3.24Å; T53-E69 WeakPolarHBondContact CG2-O 3.44Å; Y56-E69 HydrophobicContact CD2-CB 4Å; Y56-E69 HydrophobicContact CD2-CG 4.46Å; Y56-E69 WeakPolarHBondContact CD2-OE2 3.38Å; Y56-E69 WeakPolarHBondContact CE2-OE2 3.47Å; F67-E69 PolarHBondContact O-N 2.82Å; F67-E69 VanDerWaalsContact O-N 3.13Å
70	G	93.5	Very high	88.9	Confident	2 Å²	2	51 Å²	51	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-112.3	-4.1	-179.9	0	0	0	0	0	114	F67 I68 G72 V73 V74	F67-G70 PolarHBondContact O-N 3.4Å; I68-G70 PolarHBondContact O-N 3.19Å; G70-G72 VanDerWaalsContact C-N 3.35Å; G70-G72 PolarHBondContact O-N 3.26Å; G70-V73 PolarHBondContact O-N 3.43Å; G70-V74 PolarHBondContact O-N 3.47Å
71	A	93.7	Very high	89.4	Confident	23 Å²	23	49.5 Å²	49.5	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-40.5	-171.1	0	0	0	0	0	112.4	F67 I68 V73 V74 A75 A98	F67-A71 PolarHBondContact O-N 3.21Å; I68-A71 PolarHBondContact O-N 3.36Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.4Å; A71-V74 PolarHBondContact O-N 3.06Å; A71-A75 WeakPolarHBondContact O-CB 3.27Å; A71-A75 PolarHBondContact O-N 2.88Å; A71-A98 HydrophobicContact CB-CB 3.87Å
72	G	94	Very high	89.7	Confident	26 Å²	26	54 Å²	54	27%	0.268	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-39.5	177.6	0	0	0	0	0	113.2	G70 A75 V76	G70-G72 VanDerWaalsContact C-N 3.35Å; G70-G72 PolarHBondContact O-N 3.26Å; G72-A75 PolarHBondContact O-N 3.36Å; G72-V76 WeakPolarHBondContact O-CG2 3.37Å; G72-V76 PolarHBondContact O-N 3Å
73	V	94.9	Very high	90.3	Very high	24 Å²	24	49 Å²	49	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-41.6	177.2	-179.5	0	0	0	0	110.9	R26 V30 T53 A57 G70 A71 V76 A77	R26-V73 HydrophobicContact CB-CG1 3.65Å; V30-V73 HydrophobicContact CG2-CG1 3.86Å; T53-V73 HydrophobicContact CG2-CG2 3.83Å; A57-V73 HydrophobicContact CB-CB 3.99Å; A57-V73 HydrophobicContact CB-CG1 4.07Å; G70-V73 PolarHBondContact O-N 3.43Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.4Å; V73-V76 PolarHBondContact O-N 2.93Å; V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 3.37Å
74	V	94.1	Very high	90.9	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-42.3	177.2	176.6	0	0	0	0	110.8	V30 A57 G70 A71 A77 R78	V30-V74 HydrophobicContact CG1-CG2 4.26Å; A57-V74 HydrophobicContact CB-CG2 4.14Å; G70-V74 PolarHBondContact O-N 3.47Å; A71-V74 PolarHBondContact O-N 3.06Å; V74-A77 PolarHBondContact O-N 3.28Å; V74-R78 HydrophobicContact CG1-CG 4.5Å; V74-R78 WeakPolarHBondContact O-CG 3.41Å; V74-R78 PolarHBondContact O-N 3.22Å
75	A	93.9	Very high	91.7	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-46.8	176.5	0	0	0	0	0	111.7	A71 G72 A77 R78 A79 C94 E97 A98	A71-A75 WeakPolarHBondContact O-CB 3.27Å; A71-A75 PolarHBondContact O-N 2.88Å; G72-A75 PolarHBondContact O-N 3.36Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A75-A77 PolarHBondContact O-N 2.9Å; A75-R78 PolarHBondContact O-N 2.87Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 3.21Å; A75-C94 CarbonylContact C-O 3.57Å; A75-E97 HydrophobicContact CB-CB 3.99Å; A75-A98 HydrophobicContact CB-CB 4.02Å
76	V	94.9	Very high	92.6	Very high	15 Å²	15	49 Å²	49	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-44.4	175.6	174.1	0	0	0	0	111	Y24 G72 V73 R78 A79 E80 P93 C94 V95	Y24-V76 HydrophobicContact CD2-CG1 4.1Å; G72-V76 WeakPolarHBondContact O-CG2 3.37Å; G72-V76 PolarHBondContact O-N 3Å; V73-V76 PolarHBondContact O-N 2.93Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.93Å; V76-A79 PolarHBondContact O-N 3Å; V76-E80 HydrophobicContact CG1-CG 4.29Å; V76-E80 WeakPolarHBondContact O-CB 3.47Å; V76-E80 WeakPolarHBondContact O-CG 3.46Å; V76-E80 PolarHBondContact O-N 3.03Å; V76-P93 HydrophobicContact CG2-CB 4.14Å; V76-C94 WeakPolarHBondContact CG2-O 3.4Å; V76-C94 PolarHBondContact N-O 2.91Å; V76-V95 HydrophobicContact CG2-CG1 3.92Å
77	A	93.7	Very high	93.2	Very high	5 Å²	5	50 Å²	50	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-36.7	178.2	0	0	0	0	0	112.8	V30 V73 V74 A75 N81	V30-A77 HydrophobicContact CB-CB 4.22Å; V30-A77 HydrophobicContact CG1-CB 4Å; V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 3.37Å; V74-A77 PolarHBondContact O-N 3.28Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A75-A77 PolarHBondContact O-N 2.9Å; A77-N81 VanDerWaalsContact O-CB 3.27Å; A77-N81 WeakPolarHBondContact O-CB 3.08Å; A77-N81 PolarHBondContact O-N 2.85Å
78	R	92.2	Very high	93.2	Very high	66 Å²	66	51 Å²	51	25%	0.249	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-45.8	174.9	-74.1	174.7	-179.1	172.8	7.6	111.4	T63 V74 A75 V76 E80 N81 E82 E97	T63-R78 PolarHBondContact O-NH2 3.41Å; V74-R78 HydrophobicContact CG1-CG 4.5Å; V74-R78 WeakPolarHBondContact O-CG 3.41Å; V74-R78 PolarHBondContact O-N 3.22Å; A75-R78 PolarHBondContact O-N 2.87Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.93Å; R78-E80 PolarHBondContact O-N 3.48Å; R78-N81 PolarHBondContact O-N 2.67Å; R78-E82 WeakPolarHBondContact O-CB 3.2Å; R78-E82 WeakPolarHBondContact O-CG 3.15Å; R78-E82 PolarHBondContact O-N 3.44Å; R78-E97 WeakPolarHBondContact CD-OE1 3.04Å; R78-E97 WeakPolarHBondContact CD-OE2 3.38Å; R78-E97 IonicContact CZ-OE1 2.71Å; R78-E97 IonicContact NE-OE1 3.47Å; R78-E97 IonicContact NH1-OE1 2.74Å; R78-E97 PolarHBondContact NH1-OE1 2.91Å
79	A	93.8	Very high	93.1	Very high	16 Å²	16	50.5 Å²	50.5	13%	0.132	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-44.4	176.7	0	0	0	0	0	112.2	A75 V76 E82 A83 P91 C94	A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 3.21Å; V76-A79 PolarHBondContact O-N 3Å; A79-E82 PolarHBondContact O-N 3.25Å; A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.18Å; A79-P91 HydrophobicContact CB-CG 4.29Å; A79-C94 HydrophobicContact CB-CB 3.87Å
80	E	93.9	Very high	92.9	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-44.1	174.6	-71.5	178.7	152.6	0	0	111.7	H22 R23 S27 V76 R78 A83 S84	H22-E80 IonicContact CE1-OE2 3.63Å; H22-E80 IonicContact CG-OE2 3.81Å; H22-E80 IonicContact ND1-OE2 3.03Å; H22-E80 PolarHBondContact ND1-OE2 2.81Å; R23-E80 PolarHBondContact N-OE1 3.11Å; S27-E80 WeakPolarHBondContact CB-OE2 3.43Å; S27-E80 PolarHBondContact OG-OE1 3.4Å; S27-E80 PolarHBondContact OG-OE2 3.03Å; V76-E80 HydrophobicContact CG1-CG 4.29Å; V76-E80 WeakPolarHBondContact O-CB 3.47Å; V76-E80 WeakPolarHBondContact O-CG 3.46Å; V76-E80 PolarHBondContact O-N 3.03Å; R78-E80 PolarHBondContact O-N 3.48Å; E80-A83 PolarHBondContact O-N 3.02Å; E80-S84 PolarHBondContact O-N 3.5Å
81	N	91.2	Very high	92.8	Very high	49 Å²	49	51 Å²	51	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-41.1	177.5	-175.1	54.1	0	0	0	112.5	W31 A77 R78 S84 R85	W31-N81 PolarHBondContact NE1-OD1 3.41Å; A77-N81 VanDerWaalsContact O-CB 3.27Å; A77-N81 WeakPolarHBondContact O-CB 3.08Å; A77-N81 PolarHBondContact O-N 2.85Å; R78-N81 PolarHBondContact O-N 2.67Å; N81-S84 PolarHBondContact O-N 3.47Å; N81-R85 WeakPolarHBondContact O-CB 3.36Å; N81-R85 PolarHBondContact O-N 2.81Å
82	E	92.7	Very high	92.8	Very high	104 Å²	104	55.9 Å²	55.9	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-65	-44.6	176.6	-77	-176.6	179.5	0	0	111.6	R78 A79 S84 R85 L86	R78-E82 WeakPolarHBondContact O-CB 3.2Å; R78-E82 WeakPolarHBondContact O-CG 3.15Å; R78-E82 PolarHBondContact O-N 3.44Å; A79-E82 PolarHBondContact O-N 3.25Å; E82-S84 VanDerWaalsContact C-N 3.34Å; E82-S84 PolarHBondContact O-N 2.93Å; E82-R85 PolarHBondContact O-N 3.42Å; E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.1Å; E82-L86 PolarHBondContact O-N 2.88Å
83	A	93.5	Very high	92.7	Very high	11 Å²	11	57.6 Å²	57.6	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-45.1	174.4	0	0	0	0	0	111.4	A79 E80 R85 L86 G87 L88 P91	A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.18Å; E80-A83 PolarHBondContact O-N 3.02Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.25Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 3.4Å; A83-G87 PolarHBondContact O-N 3.31Å; A83-G87 VanDerWaalsContact O-N 3.09Å; A83-L88 HydrophobicContact CB-CB 4.26Å; A83-L88 PolarHBondContact O-N 3.04Å; A83-P91 HydrophobicContact CB-CG 4.15Å
84	S	91	Very high	92.6	Very high	42 Å²	42	58.6 Å²	58.6	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-39.3	175.4	-177.3	0	0	0	0	112.4	Q21 E80 N81 E82 L86 G87	Q21-S84 WeakPolarHBondContact CG-OG 3.37Å; Q21-S84 PolarHBondContact NE2-OG 3.48Å; E80-S84 PolarHBondContact O-N 3.5Å; N81-S84 PolarHBondContact O-N 3.47Å; E82-S84 VanDerWaalsContact C-N 3.34Å; E82-S84 PolarHBondContact O-N 2.93Å; S84-L86 VanDerWaalsContact C-N 3.28Å; S84-L86 PolarHBondContact O-N 2.95Å; S84-G87 PolarHBondContact O-N 3.42Å
85	R	91.5	Very high	92.6	Very high	188 Å²	188	60.7 Å²	60.7	71%	0.709	34%	0.342	S	S	*	.	H	α-helix	trans	-65.9	-32.4	177.8	-174.7	176.9	66.8	112.4	-1.3	112.1	N81 E82 A83 G87	N81-R85 WeakPolarHBondContact O-CB 3.36Å; N81-R85 PolarHBondContact O-N 2.81Å; E82-R85 PolarHBondContact O-N 3.42Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.25Å; R85-G87 VanDerWaalsContact C-N 3.35Å
86	L	94.2	Very high	92.7	Very high	111 Å²	111	66 Å²	66	58%	0.581	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-1.5	177.9	-65.4	173.7	0	0	0	113.5	E82 A83 S84 L88	E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.1Å; E82-L86 PolarHBondContact O-N 2.88Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 3.4Å; S84-L86 VanDerWaalsContact C-N 3.28Å; S84-L86 PolarHBondContact O-N 2.95Å; L86-L88 HydrophobicContact CB-CD1 3.9Å; L86-L88 HydrophobicContact CB-CG 3.92Å; L86-L88 HydrophobicContact CD1-CD1 4.04Å; L86-L88 PolarHBondContact O-N 3.4Å
87	G	92.2	Very high	92.5	Very high	71 Å²	71	69.4 Å²	69.4	73%	0.732	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	21	-175.6	0	0	0	0	0	113.6	A83 S84 R85	A83-G87 PolarHBondContact O-N 3.31Å; A83-G87 VanDerWaalsContact O-N 3.09Å; S84-G87 PolarHBondContact O-N 3.42Å; R85-G87 VanDerWaalsContact C-N 3.35Å
88	L	92.6	Very high	92.5	Very high	104 Å²	104	70.2 Å²	70.2	55%	0.545	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-87.5	155.2	177.3	-65.8	174	0	0	0	110.4	A83 L86	A83-L88 HydrophobicContact CB-CB 4.26Å; A83-L88 PolarHBondContact O-N 3.04Å; L86-L88 HydrophobicContact CB-CD1 3.9Å; L86-L88 HydrophobicContact CB-CG 3.92Å; L86-L88 HydrophobicContact CD1-CD1 4.04Å; L86-L88 PolarHBondContact O-N 3.4Å
89	P	90.9	Very high	92.6	Very high	110 Å²	110	71.5 Å²	71.5	71%	0.714	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-59.3	149.5	171.2	26.3	-34.7	0	0	0	110.9
90	C	89.2	Confident	92.6	Very high	50 Å²	50	73.3 Å²	73.3	34%	0.338	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-53.8	123.8	175.4	-179.3	0	0	0	0	109.7
91	P	91.6	Very high	92.4	Very high	39 Å²	39	74.3 Å²	74.3	25%	0.253	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-72	165	-174.6	30.6	-34.9	0	0	0	111.1	A79 A83	A79-P91 HydrophobicContact CB-CG 4.29Å; A83-P91 HydrophobicContact CB-CG 4.15Å
92	E	92.2	Very high	92.5	Very high	126 Å²	126	74.9 Å²	74.9	59%	0.589	42%	0.418	S	S	*	.	S	Bend	trans	-60	154.9	160.2	-75.1	-59.8	140.7	0	0	110	R23 C94	R23-E92 IonicContact CZ-OE1 3.37Å; R23-E92 VanDerWaalsContact NH1-CD 3.27Å; R23-E92 IonicContact NH1-OE1 3.94Å; R23-E92 PolarHBondContact NH1-OE1 3.03Å; R23-E92 IonicContact NH1-OE2 3.61Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å; R23-E92 IonicContact NH2-OE1 2.81Å; E92-C94 PolarHBondContact O-N 3.2Å
93	P	92.5	Very high	92.5	Very high	62 Å²	62	75.3 Å²	75.3	40%	0.403	42%	0.416	S	S	.	.			trans	-59.1	108.5	-175.7	25.1	-33.9	0	0	0	110.9	Y24 V76	Y24-P93 HydrophobicContact CE2-CB 3.9Å; Y24-P93 HydrophobicContact CE2-CG 4.28Å; V76-P93 HydrophobicContact CG2-CB 4.14Å
94	C	93	Very high	92.4	Very high	44 Å²	44	81.7 Å²	81.7	30%	0.297	44%	0.437	S	S	.	.			trans	-103.1	119.2	-176.3	171.7	0	0	0	0	108.9	A75 V76 A79 E92 E96	A75-C94 CarbonylContact C-O 3.57Å; V76-C94 WeakPolarHBondContact CG2-O 3.4Å; V76-C94 PolarHBondContact N-O 2.91Å; A79-C94 HydrophobicContact CB-CB 3.87Å; E92-C94 PolarHBondContact O-N 3.2Å; C94-E96 VanDerWaalsContact C-OE2 3.31Å; C94-E96 WeakPolarHBondContact CA-OE2 3.36Å; C94-E96 PolarHBondContact SG-OE2 3.09Å
95	V	94.7	Very high	92.4	Very high	55 Å²	55	84.9 Å²	84.9	33%	0.333	45%	0.451	S	S	.	.			trans	-119.2	9.1	-178.5	-64.6	0	0	0	0	112.1	V76 E97 A98 I99	V76-V95 HydrophobicContact CG2-CG1 3.92Å; V95-E97 PolarHBondContact O-N 3.18Å; V95-A98 WeakPolarHBondContact O-CA 3.47Å; V95-A98 WeakPolarHBondContact O-CB 3.5Å; V95-A98 PolarHBondContact O-N 2.98Å; V95-I99 HydrophobicContact CG2-CD1 4.02Å; V95-I99 HydrophobicContact CG2-CG1 4.5Å; V95-I99 PolarHBondContact O-N 2.91Å
96	E	95	Very high	92.5	Very high	115 Å²	115	79.2 Å²	79.2	54%	0.537	43%	0.434	S	S	.	.	H	α-helix	trans	-55.6	-39.3	-177.5	-77.2	64.3	-156.6	0	0	111.1	C94 A98 I99 E100	C94-E96 VanDerWaalsContact C-OE2 3.31Å; C94-E96 WeakPolarHBondContact CA-OE2 3.36Å; C94-E96 PolarHBondContact SG-OE2 3.09Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.27Å; E96-I99 PolarHBondContact O-N 3.35Å; E96-E100 VanDerWaalsContact O-CB 3.24Å; E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 2.91Å
97	E	92	Very high	92.4	Very high	86 Å²	86	76.5 Å²	76.5	40%	0.402	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-40.1	175.1	-170.5	-170.8	172.6	0	0	112.2	A75 R78 V95 G101	A75-E97 HydrophobicContact CB-CB 3.99Å; R78-E97 WeakPolarHBondContact CD-OE1 3.04Å; R78-E97 WeakPolarHBondContact CD-OE2 3.38Å; R78-E97 IonicContact CZ-OE1 2.71Å; R78-E97 IonicContact NE-OE1 3.47Å; R78-E97 IonicContact NH1-OE1 2.74Å; R78-E97 PolarHBondContact NH1-OE1 2.91Å; V95-E97 PolarHBondContact O-N 3.18Å; E97-G101 PolarHBondContact O-N 3.26Å
98	A	93.5	Very high	92.3	Very high	22 Å²	22	76.6 Å²	76.6	18%	0.182	42%	0.42	C	S	.	.	H	α-helix	trans	-70.4	-39.7	178	0	0	0	0	0	111.7	A71 A75 V95 E96 G101 L102	A71-A98 HydrophobicContact CB-CB 3.87Å; A75-A98 HydrophobicContact CB-CB 4.02Å; V95-A98 WeakPolarHBondContact O-CA 3.47Å; V95-A98 WeakPolarHBondContact O-CB 3.5Å; V95-A98 PolarHBondContact O-N 2.98Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.27Å; A98-G101 PolarHBondContact O-N 3.46Å; A98-L102 WeakPolarHBondContact O-CB 3.32Å; A98-L102 PolarHBondContact O-N 3.46Å
99	I	94.2	Very high	92.3	Very high	93 Å²	93	77.9 Å²	77.9	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-46.5	176.3	-64.3	170.4	0	0	0	110.3	V95 E96 L102 R103	V95-I99 HydrophobicContact CG2-CD1 4.02Å; V95-I99 HydrophobicContact CG2-CG1 4.5Å; V95-I99 PolarHBondContact O-N 2.91Å; E96-I99 PolarHBondContact O-N 3.35Å; I99-L102 PolarHBondContact O-N 3.3Å; I99-R103 WeakPolarHBondContact O-CB 3.46Å; I99-R103 PolarHBondContact O-N 3.29Å
100	E	92.5	Very high	92.3	Very high	54 Å²	54	75.7 Å²	75.7	25%	0.252	42%	0.424	S	S	.	.	H	α-helix	trans	-67.1	-38.5	179.6	175.6	60.3	-167.4	0	0	111.7	E96 R103 R104	E96-E100 VanDerWaalsContact O-CB 3.24Å; E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 2.91Å; E100-R103 PolarHBondContact O-N 3.49Å; E100-R104 VanDerWaalsContact CG-CZ 3.44Å; E100-R104 VanDerWaalsContact O-CG 3.31Å; E100-R104 WeakPolarHBondContact O-CG 3.24Å; E100-R104 PolarHBondContact O-N 3.29Å; E100-R104 IonicContact OE1-CZ 3.37Å; E100-R104 VanDerWaalsContact OE1-CZ 3.24Å; E100-R104 IonicContact OE1-NE 3.56Å; E100-R104 PolarHBondContact OE1-NE 3.41Å; E100-R104 IonicContact OE1-NH2 2.76Å; E100-R104 PolarHBondContact OE1-NH2 2.86Å
101	G	91.2	Very high	92.5	Very high	25 Å²	25	79.2 Å²	79.2	26%	0.258	44%	0.439	S	S	.	.	H	α-helix	trans	-59.4	-47.4	171.3	0	0	0	0	0	112	E97 A98 R103 R104 D105	E97-G101 PolarHBondContact O-N 3.26Å; A98-G101 PolarHBondContact O-N 3.46Å; G101-R103 PolarHBondContact O-N 3.46Å; G101-R104 PolarHBondContact O-N 3.07Å; G101-D105 PolarHBondContact O-N 2.91Å; G101-D105 VanDerWaalsContact O-N 3.07Å
102	L	92.8	Very high	92.4	Very high	60 Å²	60	80.1 Å²	80.1	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.2	-177.9	60.6	0	0	0	112.3	I68 A98 I99 R104 D105 M106	I68-L102 HydrophobicContact CD1-CD1 3.52Å; I68-L102 HydrophobicContact CD1-CD2 3.93Å; I68-L102 HydrophobicContact CD1-CG 4.34Å; I68-L102 HydrophobicContact CG1-CD1 4.35Å; A98-L102 WeakPolarHBondContact O-CB 3.32Å; A98-L102 PolarHBondContact O-N 3.46Å; I99-L102 PolarHBondContact O-N 3.3Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.97Å; L102-D105 PolarHBondContact O-N 3.03Å; L102-M106 HydrophobicContact CD1-CE 4.08Å; L102-M106 HydrophobicContact CD1-CG 4.41Å; L102-M106 HydrophobicContact CD2-CE 4.24Å; L102-M106 HydrophobicContact CG-CE 4.1Å; L102-M106 HydrophobicContact CG-SD 4.29Å; L102-M106 WeakPolarHBondContact O-CG 3.38Å; L102-M106 PolarHBondContact O-N 3.44Å
103	R	92.7	Very high	92	Very high	113 Å²	113	84.5 Å²	84.5	43%	0.426	45%	0.453	S	S	.	.	H	α-helix	trans	-57.7	-46.5	175.6	177.7	-175.9	-67.6	-81.8	-3.4	111	I99 E100 G101 D105 M106 L107 I112	I99-R103 WeakPolarHBondContact O-CB 3.46Å; I99-R103 PolarHBondContact O-N 3.29Å; E100-R103 PolarHBondContact O-N 3.49Å; G101-R103 PolarHBondContact O-N 3.46Å; R103-D105 VanDerWaalsContact C-N 3.33Å; R103-D105 PolarHBondContact O-N 2.86Å; R103-M106 PolarHBondContact O-N 2.95Å; R103-L107 HydrophobicContact CG-CD1 4.07Å; R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.47Å; R103-L107 PolarHBondContact O-N 3.02Å; R103-I112 HydrophobicContact CG-CD1 3.94Å
104	R	90.8	Very high	91.2	Very high	145 Å²	145	84.5 Å²	84.5	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-41.3	177.9	-71.1	172.1	-165.6	156.9	2	112.2	E100 G101 L102 L107 G108	E100-R104 VanDerWaalsContact CG-CZ 3.44Å; E100-R104 VanDerWaalsContact O-CG 3.31Å; E100-R104 WeakPolarHBondContact O-CG 3.24Å; E100-R104 PolarHBondContact O-N 3.29Å; E100-R104 IonicContact OE1-CZ 3.37Å; E100-R104 VanDerWaalsContact OE1-CZ 3.24Å; E100-R104 IonicContact OE1-NE 3.56Å; E100-R104 PolarHBondContact OE1-NE 3.41Å; E100-R104 IonicContact OE1-NH2 2.76Å; E100-R104 PolarHBondContact OE1-NH2 2.86Å; G101-R104 PolarHBondContact O-N 3.07Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.97Å; R104-L107 PolarHBondContact O-N 3.21Å; R104-G108 PolarHBondContact O-N 3.31Å
105	D	91.3	Very high	90.1	Very high	110 Å²	110	89.3 Å²	89.3	59%	0.588	47%	0.468	S	S	*	.	H	α-helix	trans	-65.4	-43.1	176.8	-71.8	-14	0	0	0	111.2	G101 L102 R103 G108 L109	G101-D105 PolarHBondContact O-N 2.91Å; G101-D105 VanDerWaalsContact O-N 3.07Å; L102-D105 PolarHBondContact O-N 3.03Å; R103-D105 VanDerWaalsContact C-N 3.33Å; R103-D105 PolarHBondContact O-N 2.86Å; D105-G108 PolarHBondContact O-N 3.41Å; D105-L109 WeakPolarHBondContact O-CG 3.38Å; D105-L109 PolarHBondContact O-N 3.01Å
106	M	93.3	Very high	88.5	Confident	69 Å²	69	90.6 Å²	90.6	34%	0.34	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-38.9	177	-72.4	-178	166.4	0	0	112.9	L102 R103 L109 G110 L111 I112	L102-M106 HydrophobicContact CD1-CE 4.08Å; L102-M106 HydrophobicContact CD1-CG 4.41Å; L102-M106 HydrophobicContact CD2-CE 4.24Å; L102-M106 HydrophobicContact CG-CE 4.1Å; L102-M106 HydrophobicContact CG-SD 4.29Å; L102-M106 WeakPolarHBondContact O-CG 3.38Å; L102-M106 PolarHBondContact O-N 3.44Å; R103-M106 PolarHBondContact O-N 2.95Å; M106-L109 PolarHBondContact O-N 3.28Å; M106-G110 PolarHBondContact O-N 3.47Å; M106-L111 HydrophobicContact CB-CB 4.41Å; M106-L111 PolarHBondContact O-N 2.88Å; M106-I112 HydrophobicContact CB-CD1 3.67Å; M106-I112 HydrophobicContact CB-CG1 3.76Å; M106-I112 HydrophobicContact CB-CG2 4.31Å; M106-I112 HydrophobicContact SD-CG2 4.38Å
107	L	92.1	Very high	86.7	Confident	53 Å²	53	90.2 Å²	90.2	28%	0.277	48%	0.475	S	S	.	.	H	α-helix	trans	-63	-45.5	172.5	-76.7	169.6	0	0	0	111.2	R103 R104 L109 G110 I112 D114	R103-L107 HydrophobicContact CG-CD1 4.07Å; R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.47Å; R103-L107 PolarHBondContact O-N 3.02Å; R104-L107 PolarHBondContact O-N 3.21Å; L107-L109 PolarHBondContact O-N 2.94Å; L107-G110 PolarHBondContact O-N 2.9Å; L107-I112 HydrophobicContact CB-CG1 4.5Å; L107-I112 HydrophobicContact CD2-CD1 4.2Å; L107-I112 HydrophobicContact CD2-CG1 3.69Å; L107-I112 WeakPolarHBondContact CD2-O 3.48Å; L107-I112 HydrophobicContact CG-CD1 3.9Å; L107-I112 HydrophobicContact CG-CG1 3.78Å; L107-D114 HydrophobicContact CD1-CB 4.27Å; L107-D114 HydrophobicContact CD2-CB 3.6Å
108	G	89.4	Confident	85	Confident	73 Å²	73	91.8 Å²	91.8	75%	0.753	49%	0.493	S	S	*	.	H	α-helix	trans	-63.7	-27.6	178.4	0	0	0	0	0	113.8	R104 D105	R104-G108 PolarHBondContact O-N 3.31Å; D105-G108 PolarHBondContact O-N 3.41Å
109	L	92.8	Very high	83.3	Confident	131 Å²	131	93.9 Å²	93.9	69%	0.686	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.6	174	-67.9	172	0	0	0	113.7	D105 M106 L107 L111	D105-L109 WeakPolarHBondContact O-CG 3.38Å; D105-L109 PolarHBondContact O-N 3.01Å; M106-L109 PolarHBondContact O-N 3.28Å; L107-L109 PolarHBondContact O-N 2.94Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 HydrophobicContact CB-CD1 4.08Å; L109-L111 HydrophobicContact CB-CG 3.96Å; L109-L111 HydrophobicContact CD1-CD1 4.02Å; L109-L111 PolarHBondContact O-N 2.85Å
110	G	92.1	Very high	81.6	Confident	64 Å²	64	96.6 Å²	96.6	66%	0.66	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	19.9	-175.6	0	0	0	0	0	114.3	M106 L107	M106-G110 PolarHBondContact O-N 3.47Å; L107-G110 PolarHBondContact O-N 2.9Å
111	L	92.3	Very high	79.7	Confident	124 Å²	124	99.3 Å²	99.3	65%	0.649	52%	0.521	S	S	*	.	S	Bend	trans	-81.1	-24.5	-179.8	-67.9	174.2	0	0	0	113	M106 L109	M106-L111 HydrophobicContact CB-CB 4.41Å; M106-L111 PolarHBondContact O-N 2.88Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 HydrophobicContact CB-CD1 4.08Å; L109-L111 HydrophobicContact CB-CG 3.96Å; L109-L111 HydrophobicContact CD1-CD1 4.02Å; L109-L111 PolarHBondContact O-N 2.85Å
112	I	90.1	Very high	77.9	Confident	59 Å²	59	105.9 Å²	105.9	30%	0.303	54%	0.538	S	S	.	.	S	Bend	trans	-128.4	146.1	175.2	62.4	179.2	0	0	0	109	R103 M106 L107	R103-I112 HydrophobicContact CG-CD1 3.94Å; M106-I112 HydrophobicContact CB-CD1 3.67Å; M106-I112 HydrophobicContact CB-CG1 3.76Å; M106-I112 HydrophobicContact CB-CG2 4.31Å; M106-I112 HydrophobicContact SD-CG2 4.38Å; L107-I112 HydrophobicContact CB-CG1 4.5Å; L107-I112 HydrophobicContact CD2-CD1 4.2Å; L107-I112 HydrophobicContact CD2-CG1 3.69Å; L107-I112 WeakPolarHBondContact CD2-O 3.48Å; L107-I112 HydrophobicContact CG-CD1 3.9Å; L107-I112 HydrophobicContact CG-CG1 3.78Å
113	W	83.4	Confident	76	Confident	218 Å²	218	108.8 Å²	108.8	83%	0.826	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-92.7	124.7	168.5	-177.7	-104.2	0	0	0	107.8
114	D	75.9	Confident	74.1	Confident	62 Å²	62	112.9 Å²	112.9	33%	0.332	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-77.9	126.1	164.9	-136.5	3	0	0	0	106.3	L107 P116	L107-D114 HydrophobicContact CD1-CB 4.27Å; L107-D114 HydrophobicContact CD2-CB 3.6Å; D114-P116 VanDerWaalsContact O-N 3.14Å
115	E	70	Confident	72.2	Confident	145 Å²	145	112 Å²	112	68%	0.678	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-52	125	164.1	-174.1	63.8	-138.4	0	0	106.6	Q117	E115-Q117 PolarHBondContact O-N 2.76Å
116	P	62	Low	70.4	Confident	81 Å²	81	110.5 Å²	110.5	53%	0.526	56%	0.557	S	S	.	*			trans	-50.8	104.7	-175.7	14.5	-29.3	0	0	0	109.7	D114 P118	D114-P116 VanDerWaalsContact O-N 3.14Å; P116-P118 VanDerWaalsContact O-CD 3.24Å; P116-P118 WeakPolarHBondContact O-CD 3.42Å; P116-P118 VanDerWaalsContact O-N 3.14Å
117	Q	57.1	Low	68.4	Low	107 Å²	107	118 Å²	118	50%	0.5	58%	0.582	S	S	.	*			trans	-66.9	117.9	-177.5	-128.9	-155.7	-4.9	0	0	106.5	E115 D119 R120	E115-Q117 PolarHBondContact O-N 2.76Å; Q117-D119 PolarHBondContact O-N 3.36Å; Q117-R120 PolarHBondContact O-N 3.44Å
118	P	55.4	Low	66.6	Low	119 Å²	119	121.3 Å²	121.3	77%	0.773	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	20.8	-165.7	24.4	-33.4	0	0	0	115.7	P116	P116-P118 VanDerWaalsContact O-CD 3.24Å; P116-P118 WeakPolarHBondContact O-CD 3.42Å; P116-P118 VanDerWaalsContact O-N 3.14Å
119	D	57.8	Low	64.4	Low	67 Å²	67	125.5 Å²	125.5	36%	0.358	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-148.3	-15.5	-173	-167.1	32.9	0	0	0	115.3	Q117 K123	Q117-D119 PolarHBondContact O-N 3.36Å; D119-K123 WeakPolarHBondContact O-CG 3.31Å; D119-K123 PolarHBondContact O-N 3.38Å; D119-K123 WeakPolarHBondContact OD2-CE 3.04Å; D119-K123 IonicContact OD2-NZ 2.77Å; D119-K123 PolarHBondContact OD2-NZ 3.35Å
120	R	57.9	Low	62.2	Low	149 Å²	149	129.7 Å²	129.7	56%	0.562	60%	0.604	S	S	*	*	H	α-helix	trans	-75.7	-41.4	-178.5	-82	-172.3	169.1	-169.5	-0.1	112.9	Q117 R122 K123 R124	Q117-R120 PolarHBondContact O-N 3.44Å; R120-R122 VanDerWaalsContact C-N 3.3Å; R120-K123 PolarHBondContact O-N 2.69Å; R120-R124 PolarHBondContact O-N 3.04Å
121	D	53.7	Low	60.4	Low	111 Å²	111	129.1 Å²	129.1	59%	0.594	59%	0.59	S	S	*	*	H	α-helix	trans	-70	-32.4	172.8	-68.2	-32.9	0	0	0	111.6	K123 R124 Q125	D121-K123 PolarHBondContact O-N 2.69Å; D121-R124 PolarHBondContact O-N 3.46Å; D121-Q125 WeakPolarHBondContact O-CB 3.19Å; D121-Q125 PolarHBondContact O-N 2.86Å
122	R	52.8	Low	58.3	Low	163 Å²	163	131.5 Å²	131.5	62%	0.615	60%	0.603	S	S	*	*	H	α-helix	trans	-61.5	-41.9	173.5	-133.5	176.9	-172.6	179.9	1.4	111.4	R120 R124 Q125 I126	R120-R122 VanDerWaalsContact C-N 3.3Å; R122-R124 PolarHBondContact O-N 3.31Å; R122-Q125 PolarHBondContact O-N 3.4Å; R122-I126 HydrophobicContact CB-CD1 4.41Å; R122-I126 HydrophobicContact CG-CD1 4.16Å; R122-I126 VanDerWaalsContact O-CB 3.26Å; R122-I126 WeakPolarHBondContact O-CB 3.24Å; R122-I126 VanDerWaalsContact O-CD1 3.31Å; R122-I126 WeakPolarHBondContact O-CD1 3.1Å; R122-I126 WeakPolarHBondContact O-CG1 3.45Å; R122-I126 PolarHBondContact O-N 3.18Å
123	K	53	Low	56.7	Low	122 Å²	122	133.6 Å²	133.6	53%	0.53	62%	0.618	S	S	.	*	H	α-helix	trans	-68.1	-30.1	177	-77	168.5	175.5	155.4	0	113.9	D119 R120 D121 R127	D119-K123 WeakPolarHBondContact O-CG 3.31Å; D119-K123 PolarHBondContact O-N 3.38Å; D119-K123 WeakPolarHBondContact OD2-CE 3.04Å; D119-K123 IonicContact OD2-NZ 2.77Å; D119-K123 PolarHBondContact OD2-NZ 3.35Å; R120-K123 PolarHBondContact O-N 2.69Å; D121-K123 PolarHBondContact O-N 2.69Å; K123-R127 PolarHBondContact O-N 3.24Å
124	R	52.4	Low	55.4	Low	198 Å²	198	127 Å²	127	75%	0.747	60%	0.599	S	S	*	*	H	α-helix	trans	-73.6	-44.9	170.9	-83.9	-177.8	173	-109.1	2.5	111.5	R120 D121 R122 R127 T128	R120-R124 PolarHBondContact O-N 3.04Å; D121-R124 PolarHBondContact O-N 3.46Å; R122-R124 PolarHBondContact O-N 3.31Å; R124-R127 PolarHBondContact O-N 3.31Å; R124-T128 PolarHBondContact O-N 3.45Å; R124-T128 PolarHBondContact O-OG1 3.22Å
125	Q	50.8	Low	54.4	Low	127 Å²	127	131.2 Å²	131.2	59%	0.593	62%	0.622	S	S	*	*	H	α-helix	trans	-65	-40.1	176.6	-79.3	-177.7	-12.4	0	0	112.8	D121 R122 R127 T128 R129	D121-Q125 WeakPolarHBondContact O-CB 3.19Å; D121-Q125 PolarHBondContact O-N 2.86Å; R122-Q125 PolarHBondContact O-N 3.4Å; Q125-R127 VanDerWaalsContact C-N 3.31Å; Q125-R127 PolarHBondContact O-N 3.31Å; Q125-T128 PolarHBondContact O-N 2.93Å; Q125-T128 PolarHBondContact O-OG1 3.37Å; Q125-R129 WeakPolarHBondContact O-CB 3.26Å; Q125-R129 PolarHBondContact O-N 3.42Å
126	I	53.5	Low	53.6	Low	78 Å²	78	130.1 Å²	130.1	40%	0.4	63%	0.625	S	S	.	*	H	α-helix	trans	-62.8	-39.8	177	-68.5	161.6	0	0	0	109.4	R122 T128 R129 W130	R122-I126 HydrophobicContact CB-CD1 4.41Å; R122-I126 HydrophobicContact CG-CD1 4.16Å; R122-I126 VanDerWaalsContact O-CB 3.26Å; R122-I126 WeakPolarHBondContact O-CB 3.24Å; R122-I126 VanDerWaalsContact O-CD1 3.31Å; R122-I126 WeakPolarHBondContact O-CD1 3.1Å; R122-I126 WeakPolarHBondContact O-CG1 3.45Å; R122-I126 PolarHBondContact O-N 3.18Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.5Å; I126-R129 PolarHBondContact O-N 2.75Å; I126-W130 VanDerWaalsContact CG2-NE1 3.27Å; I126-W130 PolarHBondContact O-NE1 3.47Å; I126-W130 VanDerWaalsContact O-NE1 3.07Å
127	R	51.4	Low	53.4	Low	226 Å²	226	133.3 Å²	133.3	85%	0.853	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-26	177.7	-77.2	-176.3	110.7	168.6	4.4	114.3	K123 R124 Q125	K123-R127 PolarHBondContact O-N 3.24Å; R124-R127 PolarHBondContact O-N 3.31Å; Q125-R127 VanDerWaalsContact C-N 3.31Å; Q125-R127 PolarHBondContact O-N 3.31Å
128	T	54.5	Low	53.2	Low	123 Å²	123	133.5 Å²	133.5	76%	0.755	65%	0.647	S	S	*	*	H	α-helix	trans	-95.8	-12.4	-179.7	56	0	0	0	0	113.5	R124 Q125 I126	R124-T128 PolarHBondContact O-N 3.45Å; R124-T128 PolarHBondContact O-OG1 3.22Å; Q125-T128 PolarHBondContact O-N 2.93Å; Q125-T128 PolarHBondContact O-OG1 3.37Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.5Å
129	R	43.6	Very low	52.8	Low	162 Å²	162	139 Å²	139	61%	0.611	65%	0.652	S	S	*	*			trans	-114	28.1	-172.1	-150.7	178.7	179.4	-155.6	-3.7	114	Q125 I126 S131 D134	Q125-R129 WeakPolarHBondContact O-CB 3.26Å; Q125-R129 PolarHBondContact O-N 3.42Å; I126-R129 PolarHBondContact O-N 2.75Å; R129-S131 PolarHBondContact O-N 3.07Å; R129-D134 IonicContact CZ-OD2 3.38Å; R129-D134 IonicContact NE-OD2 3.22Å; R129-D134 PolarHBondContact NE-OD2 3.01Å; R129-D134 IonicContact NH2-OD2 2.9Å; R129-D134 PolarHBondContact NH2-OD2 3.23Å
130	W	47.5	Very low	52.2	Low	219 Å²	219	146.8 Å²	146.8	83%	0.83	68%	0.676	S	S	*	*			trans	-84	41.7	168.5	-75.2	29.4	0	0	0	111.4	I126 L132	I126-W130 VanDerWaalsContact CG2-NE1 3.27Å; I126-W130 PolarHBondContact O-NE1 3.47Å; I126-W130 VanDerWaalsContact O-NE1 3.07Å; W130-L132 PolarHBondContact O-N 3.17Å
131	S	52.3	Low	51.7	Low	52 Å²	52	147.3 Å²	147.3	36%	0.364	69%	0.685	S	S	.	*			trans	-77.1	117.7	161.3	49.9	0	0	0	0	107.4	R129 T133 D134	R129-S131 PolarHBondContact O-N 3.07Å; S131-T133 PolarHBondContact O-N 2.81Å; S131-D134 PolarHBondContact O-N 2.9Å
132	L	49.7	Very low	51.3	Low	173 Å²	173	148.5 Å²	148.5	91%	0.906	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	0.1	177.2	-171.4	62.4	0	0	0	114.1	W130	W130-L132 PolarHBondContact O-N 3.17Å
133	T	56.4	Low	50.7	Low	103 Å²	103	147.4 Å²	147.4	63%	0.632	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-9.9	-171.6	50.2	0	0	0	0	114.7	S131	S131-T133 PolarHBondContact O-N 2.81Å
134	D	55.7	Low	50.5	Low	79 Å²	79	148.6 Å²	148.6	42%	0.422	71%	0.71	S	S	.	*	S	Bend	trans	-90.1	-8.5	-173.6	-89.4	23.9	0	0	0	114.5	R129 S131 V136	R129-D134 IonicContact CZ-OD2 3.38Å; R129-D134 IonicContact NE-OD2 3.22Å; R129-D134 PolarHBondContact NE-OD2 3.01Å; R129-D134 IonicContact NH2-OD2 2.9Å; R129-D134 PolarHBondContact NH2-OD2 3.23Å; S131-D134 PolarHBondContact O-N 2.9Å; D134-V136 PolarHBondContact O-N 3.37Å
135	D	54.7	Low	50	Low	152 Å²	152	147.3 Å²	147.3	81%	0.813	71%	0.712	S	S	*	*			trans	-85.5	24.8	-178.6	-74	-30.6	0	0	0	114.1	I137	D135-I137 PolarHBondContact O-N 2.94Å
136	V	53.8	Low	49.9	Very low	121 Å²	121	148.8 Å²	148.8	73%	0.733	72%	0.724	S	S	*	*			trans	-75.7	91.6	173.5	-174.4	0	0	0	0	109.1	D134 P138	D134-V136 PolarHBondContact O-N 3.37Å; V136-P138 WeakPolarHBondContact O-CD 3.35Å
137	I	56.4	Low	49.2	Very low	148 Å²	148	151.2 Å²	151.2	76%	0.759	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-55.8	119.1	166.1	-58.4	174.6	0	0	0	107.6	D135 R139	D135-I137 PolarHBondContact O-N 2.94Å; I137-R139 PolarHBondContact O-N 3.44Å
138	P	53.8	Low	48.8	Very low	112 Å²	112	147.2 Å²	147.2	73%	0.727	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-62.4	116	175.1	-16.6	29.1	0	0	0	108.2	V136 R140	V136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-R140 PolarHBondContact O-N 3.06Å
139	R	48.1	Very low	48.1	Very low	233 Å²	233	147.7 Å²	147.7	88%	0.879	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.8	168	-70.1	-155.4	-175.4	-163.2	5	107.2	I137 H141	I137-R139 PolarHBondContact O-N 3.44Å; R139-H141 PolarHBondContact O-N 3.19Å
140	R	45	Very low	48.1	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	75%	0.748	S	S	*	*			trans	-56.8	111.8	163.5	-81.2	-179.2	171.4	175.9	-4	107.1	P138 D142	P138-R140 PolarHBondContact O-N 3.06Å; R140-D142 PolarHBondContact O-N 3.15Å
141	H	46.3	Very low	47.7	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.745	75%	0.752	S	S	*	*			trans	-82.4	99.1	165.4	-144.5	-82.2	0	0	0	105	R139 N143	R139-H141 PolarHBondContact O-N 3.19Å; H141-N143 PolarHBondContact O-N 3.04Å; H141-N143 VanDerWaalsContact O-N 3.15Å
142	D	45.8	Very low	47.4	Very low	136 Å²	136	146.2 Å²	146.2	73%	0.727	77%	0.774	S	S	*	*			trans	-66.2	108.9	166.3	-73.4	-36.9	0	0	0	106	R140 D144	R140-D142 PolarHBondContact O-N 3.15Å; D142-D144 PolarHBondContact O-N 3.38Å
143	N	39.1	Very low	47	Very low	139 Å²	139	143.8 Å²	143.8	74%	0.743	77%	0.766	S	S	*	*			trans	-80.5	94.9	175.7	-74.8	-24	0	0	0	108	H141	H141-N143 PolarHBondContact O-N 3.04Å; H141-N143 VanDerWaalsContact O-N 3.15Å
144	D	49.3	Very low	46.6	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	78%	0.78	S	S	*	*			trans	-87.6	116.6	154.9	-74.2	-34.4	0	0	0	108.1	D142	D142-D144 PolarHBondContact O-N 3.38Å
145	E	43.4	Very low	45.7	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	79%	0.793	S	S	*	*			trans	21.5	111.8	146.7	-59.7	179.1	163.5	0	0	117.2
146	D	47.4	Very low	45.3	Very low	157 Å²	157	149.4 Å²	149.4	84%	0.84	80%	0.796	S	S	*	*				-179.4	147.5	111.8	-90	-32.9	0	0	0	112.4
147	T	39.4	Very low	44.9	Very low	130 Å²	130	151.4 Å²	151.4	80%	0.798	80%	0.797	S	S	*	*			trans	-51.6	148.8	-177.8	44.5	0	0	0	0	116.7
148	D	43.3	Very low	44.4	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	80%	0.799	S	S	*	*				133.1	110.6	124.8	-153.2	24.6	0	0	0	114.6
149	T	39.4	Very low	44.2	Very low	133 Å²	133	150.8 Å²	150.8	82%	0.816	80%	0.798	S	S	*	*			trans	36.9	121.3	141.1	-43.7	0	0	0	0	120.5
150	G	43.1	Very low	44.2	Very low	74 Å²	74	148 Å²	148	76%	0.763	80%	0.795	S	S	*	*			trans	166.9	87	162.7	0	0	0	0	0	115.5
151	E	39.4	Very low	44.2	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	79%	0.79	S	S	*	*			trans	-43.6	129.6	163.2	-175.2	177.7	-156	0	0	112.9
152	T	45.7	Very low	44.1	Very low	134 Å²	134	140.9 Å²	140.9	82%	0.822	79%	0.789	S	S	*	*			trans	-166.6	123.2	141.3	-61.7	0	0	0	0	110
153	T	41.2	Very low	44.5	Very low	122 Å²	122	143.5 Å²	143.5	75%	0.748	80%	0.797	S	S	*	*			trans	-53.2	139.6	168.5	43	0	0	0	0	114.2
154	E	47.8	Very low	44.7	Very low	197 Å²	197	142.4 Å²	142.4	92%	0.921	80%	0.795	S	S	*	*			trans	-154	125.6	139.2	-119.1	173.3	-167.1	0	0	113.5
155	T	38	Very low	44.4	Very low	114 Å²	114	141.5 Å²	141.5	70%	0.699	80%	0.796	S	S	*	*			trans	-59.7	137.7	176.1	-55.5	0	0	0	0	112.7	E157	T155-E157 HydrophobicContact CG2-CG 4.43Å
156	T	45.8	Very low	44.7	Very low	141 Å²	141	141.7 Å²	141.7	87%	0.865	80%	0.796	S	S	*	*			trans	-148.1	122.1	143	-44.4	0	0	0	0	110.7
157	E	46.1	Very low	44.4	Very low	164 Å²	164	140.4 Å²	140.4	77%	0.766	80%	0.795	S	S	*	*			trans	-66	129.9	-175.3	-63.3	168	135.6	0	0	112.1	T155	T155-E157 HydrophobicContact CG2-CG 4.43Å
158	T	45.1	Very low	44.8	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	80%	0.796	S	S	*	*			trans	-95.5	105.8	162.2	-61.2	0	0	0	0	107.5	E160	T158-E160 HydrophobicContact CG2-CG 4.44Å
159	T	49.5	Very low	44.9	Very low	116 Å²	116	140.2 Å²	140.2	71%	0.712	79%	0.789	S	S	*	*			trans	-88.3	102.2	169.3	-54.9	0	0	0	0	108	T161	T159-T161 PolarHBondContact O-N 3.25Å
160	E	47.8	Very low	45.3	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	78%	0.784	S	S	*	*			trans	-71.4	116.8	164.7	-71	-177.1	148.8	0	0	108.5	T158	T158-E160 HydrophobicContact CG2-CG 4.44Å
161	T	44.9	Very low	45.5	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	79%	0.79	S	S	*	*			trans	-98.6	110.6	168.4	-60.7	0	0	0	0	109.1	T159	T159-T161 PolarHBondContact O-N 3.25Å
162	T	45.1	Very low	45.9	Very low	118 Å²	118	146.9 Å²	146.9	72%	0.724	79%	0.788	S	S	*	*			trans	-52.9	125.3	166.5	-36.1	0	0	0	0	111.7
163	E	53.7	Low	46.4	Very low	192 Å²	192	145.8 Å²	145.8	90%	0.897	78%	0.784	S	S	*	*			trans	-107.1	110.4	157.2	-84.8	-168.2	160.9	0	0	109.9
164	T	44.2	Very low	47.2	Very low	115 Å²	115	144.8 Å²	144.8	71%	0.706	79%	0.788	S	S	*	*			trans	-66.5	133.6	179.5	-60.8	0	0	0	0	111.7	E166	T164-E166 HydrophobicContact CG2-CG 4.4Å
165	T	41.2	Very low	47.7	Very low	130 Å²	130	143.4 Å²	143.4	80%	0.798	79%	0.787	S	S	*	*			trans	-74.2	121.1	165.2	-0.6	0	0	0	0	109.2
166	E	49.9	Very low	48.8	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	80%	0.796	S	S	*	*			trans	-132.1	105	160	-86.3	-168.2	162.8	0	0	111	T164	T164-E166 HydrophobicContact CG2-CG 4.4Å
167	T	41.3	Very low	49.2	Very low	131 Å²	131	150.3 Å²	150.3	80%	0.804	80%	0.798	S	S	*	*			trans	-74.1	121.3	162.4	-53	0	0	0	0	108.1
168	T	48.4	Very low	49.5	Very low	135 Å²	135	152.5 Å²	152.5	83%	0.828	81%	0.805	S	S	*	*			trans	-119.8	113	163.5	-65.7	0	0	0	0	110
169	E	45.1	Very low	49.9	Very low	132 Å²	132	155.4 Å²	155.4	62%	0.617	81%	0.81	S	S	*	*			trans	-96.9	146.8	174.9	-154.4	-170.6	153.4	0	0	108.8
170	K	47.6	Very low	50.1	Low	164 Å²	164	162.7 Å²	162.7	71%	0.713	84%	0.836	S	S	*	*			trans	68.6	114.2	152.5	-85.8	163.3	-178.6	158.4	0	120.1
171	Q	48.5	Very low	50.2	Low	190 Å²	190	162.1 Å²	162.1	89%	0.888	84%	0.837	S	S	*	*				155.1	121	102.4	-99.6	161.7	-23.6	0	0	110.7
172	H	46.4	Very low	50.5	Low	186 Å²	186	164.1 Å²	164.1	86%	0.861	84%	0.841	S	S	*	*			trans	-110.1	131.4	166.1	-158.3	75.9	0	0	0	107.9
173	P	57.2	Low	50.8	Low	111 Å²	111	166.7 Å²	166.7	72%	0.721	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-83.2	145.7	-176.4	33.2	-31.8	0	0	0	111.5
174	A	57.3	Low	50.6	Low	102 Å²	102	165.2 Å²	165.2	84%	0.843	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-77.9	147	175.2	0	0	0	0	0	111.7
175	D	59.3	Low	51	Low	168 Å²	168	168.3 Å²	168.3	90%	0.898	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-58.8	145.3	176.7	-83.5	-49.1	0	0	0	113.8
176	K	60.7	Low	51.7	Low	203 Å²	203	170.9 Å²	170.9	88%	0.883	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-58.1	136.8	179.9	-77.3	175.6	169.3	-179.9	0	113.4
177	E	53	Low	51.8	Low	197 Å²	197	170.6 Å²	170.6	92%	0.921	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-49.9	142.5	161.2	-76.4	172.2	129.9	0	0	112.6
178	K	54.1	Low	52.6	Low	209 Å²	209	173.7 Å²	173.7	91%	0.909	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-99	121.4	166.7	-133.4	-180	-176	-175.6	0	106.8
179	E	52.2	Low	53	Low	192 Å²	192	176.9 Å²	176.9	90%	0.897	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-58	128.6	167.3	-73.9	168.8	123.8	0	0	110.8
180	Q	54.8	Low	53.7	Low	269 Å²	269	181 Å²	181	100%	1.257	89%	0.89	S	S	*	*			trans	-160.3	0	140.8	-106.7	-177.5	11.1	0	0	109.5

Retrieved 180 of 180 residues in 219.7 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).