G4VPT3_SCHMA Loading...

Protein phosphatase inhibitor 2

AlphaFold DB , UniProt , Accession G4VPT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.2	Low	60.6	Low	248 Å²	248	157.5 Å²	157.5	100%	1.222	86%	0.861	S	S	*	*				0	104.7	0	-75.4	-178.7	159.3	0	0	107.6
2	S	56.9	Low	61.9	Low	129 Å²	129	161.9 Å²	161.9	90%	0.902	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-82.9	121.5	-173.9	-50.1	0	0	0	0	110.1
3	K	54	Low	63.5	Low	207 Å²	207	156.1 Å²	156.1	90%	0.9	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-84.9	122.6	173.2	-113.2	177.9	175.6	-178.4	0	108.9
4	A	60.6	Low	65.1	Low	100 Å²	100	157 Å²	157	83%	0.826	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-63.9	134.3	173	0	0	0	0	0	110.5
5	V	60.6	Low	66.4	Low	133 Å²	133	156.2 Å²	156.2	81%	0.806	84%	0.841	S	S	*	*			trans	-87.8	112.3	170.2	176.5	0	0	0	0	106.7	E7	V5-E7 PolarHBondContact O-N 2.99Å
6	E	58.8	Low	67.1	Low	181 Å²	181	154.8 Å²	154.8	85%	0.846	83%	0.825	S	S	*	*			trans	-78.7	103.2	177.1	-166.8	159.8	-165	0	0	108.6	T8	E6-T8 PolarHBondContact O-N 2.76Å
7	E	62.3	Low	68	Low	178 Å²	178	155.2 Å²	155.2	83%	0.832	82%	0.818	S	S	*	*			trans	-71	106.7	174.2	-73.5	-178	168.1	0	0	109.5	V5 K9	V5-E7 PolarHBondContact O-N 2.99Å; E7-K9 PolarHBondContact O-N 2.76Å
8	T	59.6	Low	68.3	Low	125 Å²	125	152.8 Å²	152.8	77%	0.767	82%	0.816	S	S	*	*			trans	-66.3	115.6	172.6	46.7	0	0	0	0	109.3	E6 V10	E6-T8 PolarHBondContact O-N 2.76Å; T8-V10 PolarHBondContact O-N 3.47Å
9	K	63.7	Low	68.3	Low	198 Å²	198	150.4 Å²	150.4	86%	0.861	81%	0.812	S	S	*	*			trans	-62.7	105.6	177.6	-69.7	-179.6	-179.4	176	0	109.6	E7 S11	E7-K9 PolarHBondContact O-N 2.76Å; K9-S11 PolarHBondContact O-N 2.9Å; K9-S11 VanDerWaalsContact O-N 3.08Å
10	V	64.9	Low	68.1	Low	127 Å²	127	148 Å²	148	77%	0.77	80%	0.799	S	S	*	*			trans	-60.1	114.1	169.1	-174.1	0	0	0	0	107.7	T8 K12	T8-V10 PolarHBondContact O-N 3.47Å; V10-K12 PolarHBondContact O-N 2.92Å
11	S	67.4	Low	68	Low	106 Å²	106	147.2 Å²	147.2	74%	0.741	79%	0.79	S	S	*	*			trans	-69.5	113.9	-178.9	-58.5	0	0	0	0	108.5	K9 S13	K9-S11 PolarHBondContact O-N 2.9Å; K9-S11 VanDerWaalsContact O-N 3.08Å; S11-S13 PolarHBondContact O-N 3.33Å
12	K	76.3	Confident	68.5	Low	211 Å²	211	136.7 Å²	136.7	92%	0.917	75%	0.745	S	S	*	*			trans	-72.9	24.9	-176.3	-59.9	177.3	179.1	178.5	0	114.1	V10	V10-K12 PolarHBondContact O-N 2.92Å
13	S	83.5	Confident	69.2	Low	86 Å²	86	136.5 Å²	136.5	60%	0.601	74%	0.741	S	S	*	*			trans	-84.1	133.9	-178.4	-175.6	0	0	0	0	110.8	S11 L15	S11-S13 PolarHBondContact O-N 3.33Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact OG-N 3.06Å
14	I	84.8	Confident	70.1	Confident	169 Å²	169	134 Å²	134	87%	0.867	73%	0.733	S	S	*	*			trans	-81.3	-10.1	172.8	59.1	165.7	0	0	0	112.9	K16	I14-K16 PolarHBondContact O-N 3.48Å
15	L	84.8	Confident	71.1	Confident	145 Å²	145	138.7 Å²	138.7	76%	0.759	73%	0.734	S	S	*	*			trans	-75	95.3	-179.8	-174.8	63.3	0	0	0	109.8	S13	S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact OG-N 3.06Å
16	K	78.7	Confident	72.4	Confident	133 Å²	133	137.1 Å²	137.1	58%	0.578	73%	0.729	S	S	*	*			trans	-71.2	136	175.1	-62.7	-178.9	69.7	-175.2	0	110	I14 D20	I14-K16 PolarHBondContact O-N 3.48Å; K16-D20 WeakPolarHBondContact CE-O 3.43Å
17	K	82.1	Confident	74	Confident	163 Å²	163	135.7 Å²	135.7	71%	0.709	72%	0.72	S	S	*	*			trans	-87.2	149.3	168.1	-61.3	-178.1	-178.3	-175	0	108.7	S19 D20	K17-S19 PolarHBondContact O-N 3.43Å; K17-D20 PolarHBondContact O-N 2.94Å
18	S	72.9	Confident	75.4	Confident	112 Å²	112	135 Å²	135	78%	0.783	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-21.9	-176.8	51.6	0	0	0	0	114.5	D20 Q21	S18-D20 VanDerWaalsContact C-N 3.3Å; S18-D20 PolarHBondContact O-N 3.34Å; S18-Q21 PolarHBondContact O-NE2 3.42Å
19	S	68.8	Low	77	Confident	107 Å²	107	137.5 Å²	137.5	75%	0.748	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-11.4	175.8	68.1	0	0	0	0	114.5	K17	K17-S19 PolarHBondContact O-N 3.43Å
20	D	63.9	Low	78.4	Confident	102 Å²	102	132.6 Å²	132.6	55%	0.545	70%	0.696	S	S	.	*			trans	-106.5	62.4	-173.3	-156.7	21.5	0	0	0	110.9	K16 K17 S18 G22	K16-D20 WeakPolarHBondContact CE-O 3.43Å; K17-D20 PolarHBondContact O-N 2.94Å; S18-D20 VanDerWaalsContact C-N 3.3Å; S18-D20 PolarHBondContact O-N 3.34Å; D20-G22 PolarHBondContact O-N 2.91Å
21	Q	66.3	Low	79.7	Confident	132 Å²	132	132.7 Å²	132.7	62%	0.617	69%	0.688	S	S	*	*			trans	-77.3	68.4	171.5	-60.7	-64.3	-17.5	0	0	109.3	S18	S18-Q21 PolarHBondContact O-NE2 3.42Å
22	G	68.5	Low	80.8	Confident	27 Å²	27	131.5 Å²	131.5	28%	0.278	68%	0.679	S	S	.	*			trans	-58.6	163.5	167.5	0	0	0	0	0	111.8	D20 Q24	D20-G22 PolarHBondContact O-N 2.91Å; G22-Q24 PolarHBondContact O-N 2.92Å
23	P	70.2	Confident	81.3	Confident	124 Å²	124	125.6 Å²	125.6	81%	0.805	66%	0.658	S	S	*	*			trans	-53.2	129.4	-175.9	21.8	-32.8	0	0	0	111.2	K25	P23-K25 PolarHBondContact O-N 3.27Å
24	Q	73.2	Confident	81.3	Confident	156 Å²	156	124.5 Å²	124.5	73%	0.729	65%	0.645	S	S	*	*			trans	-63.1	107.8	178.7	-62.6	-66	-27.9	0	0	108.4	G22	G22-Q24 PolarHBondContact O-N 2.92Å
25	K	82.9	Confident	81.2	Confident	198 Å²	198	122.3 Å²	122.3	86%	0.861	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-72.2	131.5	171.6	-61.3	-175.9	-179.7	-166.6	0	107.7	P23 F27	P23-K25 PolarHBondContact O-N 3.27Å; K25-F27 PolarHBondContact O-N 3.1Å
26	S	87.2	Confident	81	Confident	100 Å²	100	118.5 Å²	118.5	70%	0.699	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.3	170	52.8	0	0	0	0	109.5
27	F	91.1	Very high	81.2	Confident	150 Å²	150	116.8 Å²	116.8	66%	0.658	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-75.2	136	170.4	175.3	-90.5	0	0	0	109.6	K25 W29	K25-F27 PolarHBondContact O-N 3.1Å; F27-W29 AromaticContact CE1-CD1 3.96Å; F27-W29 AromaticContact CE1-CD2 3.64Å; F27-W29 HydrophobicContact CE1-CD2 3.64Å; F27-W29 AromaticContact CE1-CE2 3.4Å; F27-W29 VanDerWaalsContact CE1-CE2 3.4Å; F27-W29 HydrophobicContact CE1-CE3 4.18Å; F27-W29 AromaticContact CE1-CG 3.99Å; F27-W29 HydrophobicContact CE1-CG 3.99Å; F27-W29 HydrophobicContact CE1-CH2 4.27Å; F27-W29 AromaticContact CE1-CZ2 3.74Å; F27-W29 HydrophobicContact CE1-CZ2 3.74Å; F27-W29 HydrophobicContact CE1-CZ3 4.47Å; F27-W29 AromaticContact CE1-NE1 3.62Å; F27-W29 AromaticContact CZ-CD2 3.78Å; F27-W29 HydrophobicContact CZ-CD2 3.78Å; F27-W29 AromaticContact CZ-CE2 3.79Å; F27-W29 AromaticContact CZ-CE3 3.82Å; F27-W29 HydrophobicContact CZ-CE3 3.82Å; F27-W29 HydrophobicContact CZ-CG 4.46Å; F27-W29 AromaticContact CZ-CH2 3.87Å; F27-W29 HydrophobicContact CZ-CH2 3.87Å; F27-W29 AromaticContact CZ-CZ2 3.83Å; F27-W29 HydrophobicContact CZ-CZ2 3.83Å; F27-W29 AromaticContact CZ-CZ3 3.87Å; F27-W29 HydrophobicContact CZ-CZ3 3.87Å
28	Q	92.7	Very high	80.7	Confident	164 Å²	164	116.1 Å²	116.1	77%	0.766	62%	0.619	S	S	*	*			trans	-135.6	138.1	175.1	-63.1	-172.8	-70.9	0	0	109
29	W	92.4	Very high	80.4	Confident	178 Å²	178	116.7 Å²	116.7	67%	0.674	61%	0.609	S	S	*	*			trans	-76.6	146.8	173.2	-67.6	109.1	0	0	0	110.6	F27 E31 I34	F27-W29 AromaticContact CE1-CD1 3.96Å; F27-W29 AromaticContact CE1-CD2 3.64Å; F27-W29 HydrophobicContact CE1-CD2 3.64Å; F27-W29 AromaticContact CE1-CE2 3.4Å; F27-W29 VanDerWaalsContact CE1-CE2 3.4Å; F27-W29 HydrophobicContact CE1-CE3 4.18Å; F27-W29 AromaticContact CE1-CG 3.99Å; F27-W29 HydrophobicContact CE1-CG 3.99Å; F27-W29 HydrophobicContact CE1-CH2 4.27Å; F27-W29 AromaticContact CE1-CZ2 3.74Å; F27-W29 HydrophobicContact CE1-CZ2 3.74Å; F27-W29 HydrophobicContact CE1-CZ3 4.47Å; F27-W29 AromaticContact CE1-NE1 3.62Å; F27-W29 AromaticContact CZ-CD2 3.78Å; F27-W29 HydrophobicContact CZ-CD2 3.78Å; F27-W29 AromaticContact CZ-CE2 3.79Å; F27-W29 AromaticContact CZ-CE3 3.82Å; F27-W29 HydrophobicContact CZ-CE3 3.82Å; F27-W29 HydrophobicContact CZ-CG 4.46Å; F27-W29 AromaticContact CZ-CH2 3.87Å; F27-W29 HydrophobicContact CZ-CH2 3.87Å; F27-W29 AromaticContact CZ-CZ2 3.83Å; F27-W29 HydrophobicContact CZ-CZ2 3.83Å; F27-W29 AromaticContact CZ-CZ3 3.87Å; F27-W29 HydrophobicContact CZ-CZ3 3.87Å; W29-E31 PolarHBondContact O-N 3.02Å; W29-I34 HydrophobicContact CE3-CD1 4.4Å
30	D	94.3	Very high	80.3	Confident	95 Å²	95	113.3 Å²	113.3	51%	0.508	58%	0.584	S	S	.	*			trans	-82.1	93.1	167.6	-179.3	-3.9	0	0	0	108.7	S32 N33 I34	D30-S32 PolarHBondContact O-N 2.66Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 WeakPolarHBondContact OD1-CB 3.23Å; D30-S32 PolarHBondContact OD1-N 2.92Å; D30-S32 VanDerWaalsContact OD1-N 3.09Å; D30-S32 PolarHBondContact OD1-OG 2.94Å; D30-N33 HydrophobicContact CB-CB 3.86Å; D30-N33 WeakPolarHBondContact O-CA 3.49Å; D30-N33 WeakPolarHBondContact O-CB 3.18Å; D30-N33 PolarHBondContact O-N 3.02Å; D30-N33 PolarHBondContact OD1-N 3.2Å; D30-I34 PolarHBondContact O-N 2.59Å
31	E	92.8	Very high	80	Confident	128 Å²	128	113.7 Å²	113.7	60%	0.598	60%	0.602	S	S	*	*	H	α-helix	trans	-55.1	-31.2	-179.1	-60.5	-62	163.3	0	0	112.3	W29 I34 L35	W29-E31 PolarHBondContact O-N 3.02Å; E31-I34 PolarHBondContact O-N 3.48Å; E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.34Å
32	S	89.7	Confident	79.6	Confident	81 Å²	81	113.5 Å²	113.5	57%	0.566	61%	0.605	S	S	*	*	H	α-helix	trans	-69.5	-34.9	177.1	78.1	0	0	0	0	112.3	D30 A36	D30-S32 PolarHBondContact O-N 2.66Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 WeakPolarHBondContact OD1-CB 3.23Å; D30-S32 PolarHBondContact OD1-N 2.92Å; D30-S32 VanDerWaalsContact OD1-N 3.09Å; D30-S32 PolarHBondContact OD1-OG 2.94Å; S32-A36 WeakPolarHBondContact O-CB 3.1Å; S32-A36 PolarHBondContact O-N 2.9Å; S32-A36 VanDerWaalsContact O-N 3.08Å
33	N	86.7	Confident	79.1	Confident	88 Å²	88	117.4 Å²	117.4	47%	0.471	61%	0.614	S	S	.	*	H	α-helix	trans	-70.2	-41.8	174.2	-177.9	-94.1	0	0	0	111.9	D30 A36 T37	D30-N33 HydrophobicContact CB-CB 3.86Å; D30-N33 WeakPolarHBondContact O-CA 3.49Å; D30-N33 WeakPolarHBondContact O-CB 3.18Å; D30-N33 PolarHBondContact O-N 3.02Å; D30-N33 PolarHBondContact OD1-N 3.2Å; N33-A36 PolarHBondContact O-N 3.38Å; N33-T37 PolarHBondContact O-N 2.89Å; N33-T37 VanDerWaalsContact O-N 3.17Å; N33-T37 PolarHBondContact O-OG1 3.12Å; N33-T37 VanDerWaalsContact O-OG1 3.05Å
34	I	83.8	Confident	78.7	Confident	63 Å²	63	115 Å²	115	32%	0.323	60%	0.597	S	S	.	*	H	α-helix	trans	-59.9	-50.9	175.8	-58.4	-55.4	0	0	0	109.4	W29 D30 E31 A36 T37 Y38	W29-I34 HydrophobicContact CE3-CD1 4.4Å; D30-I34 PolarHBondContact O-N 2.59Å; E31-I34 PolarHBondContact O-N 3.48Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 3.3Å; I34-T37 CarbonylContact O-C 3.6Å; I34-T37 PolarHBondContact O-N 3.46Å; I34-T37 VanDerWaalsContact O-N 3.1Å; I34-T37 PolarHBondContact O-OG1 3.43Å; I34-T37 VanDerWaalsContact O-OG1 3.1Å; I34-Y38 WeakPolarHBondContact O-CB 3.44Å; I34-Y38 PolarHBondContact O-N 3.45Å
35	L	82.2	Confident	78.2	Confident	122 Å²	122	116.8 Å²	116.8	64%	0.639	60%	0.599	S	S	*	*	H	α-helix	trans	-60	-36.8	178.1	-70.8	171.6	0	0	0	113.5	E31 T37	E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 VanDerWaalsContact O-CG 3.28Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.34Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 2.91Å
36	A	81.5	Confident	77.2	Confident	66 Å²	66	111 Å²	111	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-68	-26.8	178.3	0	0	0	0	0	113.1	S32 N33 I34	S32-A36 WeakPolarHBondContact O-CB 3.1Å; S32-A36 PolarHBondContact O-N 2.9Å; S32-A36 VanDerWaalsContact O-N 3.08Å; N33-A36 PolarHBondContact O-N 3.38Å; I34-A36 VanDerWaalsContact C-N 3.3Å; I34-A36 PolarHBondContact O-N 3.3Å
37	T	81.8	Confident	76	Confident	97 Å²	97	112.4 Å²	112.4	60%	0.595	59%	0.591	S	S	*	*	H	α-helix	trans	-100.9	-21.5	179.9	57	0	0	0	0	113	N33 I34 L35 H39	N33-T37 PolarHBondContact O-N 2.89Å; N33-T37 VanDerWaalsContact O-N 3.17Å; N33-T37 PolarHBondContact O-OG1 3.12Å; N33-T37 VanDerWaalsContact O-OG1 3.05Å; I34-T37 CarbonylContact O-C 3.6Å; I34-T37 PolarHBondContact O-N 3.46Å; I34-T37 VanDerWaalsContact O-N 3.1Å; I34-T37 PolarHBondContact O-OG1 3.43Å; I34-T37 VanDerWaalsContact O-OG1 3.1Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 2.91Å; T37-H39 PolarHBondContact O-N 2.96Å
38	Y	72.6	Confident	75	Confident	149 Å²	149	111.7 Å²	111.7	58%	0.584	59%	0.591	S	S	*	*	S	Bend	trans	-81.7	94	177	-170.1	-106.6	0	0	0	109.7	I34	I34-Y38 WeakPolarHBondContact O-CB 3.44Å; I34-Y38 PolarHBondContact O-N 3.45Å
39	H	65.8	Low	74	Confident	123 Å²	123	113.3 Å²	113.3	57%	0.569	60%	0.596	S	S	*	*	S	Bend	trans	52.7	70	-178.2	-47.8	-81.9	0	0	0	112.6	T37 A41	T37-H39 PolarHBondContact O-N 2.96Å; H39-A41 PolarHBondContact O-N 3.17Å
40	P	66	Low	73.1	Confident	36 Å²	36	111 Å²	111	23%	0.234	60%	0.595	C	S	.	*			trans	-56.6	140	-178.6	27.8	-35.3	0	0	0	109.3	D42 K43	P40-D42 WeakPolarHBondContact CB-OD1 3.12Å; P40-D42 PolarHBondContact O-N 3.24Å; P40-K43 HydrophobicContact CG-CB 3.89Å; P40-K43 HydrophobicContact CG-CD 3.37Å; P40-K43 HydrophobicContact CG-CG 3.68Å; P40-K43 WeakPolarHBondContact O-CB 3.42Å; P40-K43 PolarHBondContact O-N 3.01Å
41	A	58	Low	72.4	Confident	111 Å²	111	115.6 Å²	115.6	92%	0.917	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-164.2	0	0	0	0	0	114.8	H39	H39-A41 PolarHBondContact O-N 3.17Å
42	D	58	Low	71.9	Confident	128 Å²	128	116.7 Å²	116.7	68%	0.684	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-9.9	176.3	64.2	-28.4	0	0	0	113.7	P40	P40-D42 WeakPolarHBondContact CB-OD1 3.12Å; P40-D42 PolarHBondContact O-N 3.24Å
43	K	58.5	Low	71.4	Confident	109 Å²	109	118.4 Å²	118.4	47%	0.474	63%	0.628	S	S	.	*			trans	-104.2	88.2	-176.4	-70.4	-170.7	-170.9	-178.8	0	110.7	P40 Y45	P40-K43 HydrophobicContact CG-CB 3.89Å; P40-K43 HydrophobicContact CG-CD 3.37Å; P40-K43 HydrophobicContact CG-CG 3.68Å; P40-K43 WeakPolarHBondContact O-CB 3.42Å; P40-K43 PolarHBondContact O-N 3.01Å; K43-Y45 HydrophobicContact CB-CD2 3.68Å; K43-Y45 HydrophobicContact CB-CE2 3.92Å; K43-Y45 HydrophobicContact CD-CD2 3.94Å; K43-Y45 HydrophobicContact CD-CE2 3.53Å; K43-Y45 HydrophobicContact CG-CD2 3.85Å; K43-Y45 HydrophobicContact CG-CE2 3.54Å; K43-Y45 PolarHBondContact O-N 2.78Å
44	T	61.6	Low	70.8	Confident	72 Å²	72	123.3 Å²	123.3	44%	0.442	65%	0.645	S	S	.	*			trans	-87.2	28.7	167.6	58	0	0	0	0	112.1	G46 H47 M48	T44-G46 PolarHBondContact O-N 3.47Å; T44-H47 PolarHBondContact O-N 2.93Å; T44-M48 PolarHBondContact O-N 3.49Å
45	Y	62	Low	70.2	Confident	194 Å²	194	125.7 Å²	125.7	76%	0.761	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	107.6	178.1	-71.5	-72.5	0	0	0	108.5	K43	K43-Y45 HydrophobicContact CB-CD2 3.68Å; K43-Y45 HydrophobicContact CB-CE2 3.92Å; K43-Y45 HydrophobicContact CD-CD2 3.94Å; K43-Y45 HydrophobicContact CD-CE2 3.53Å; K43-Y45 HydrophobicContact CG-CD2 3.85Å; K43-Y45 HydrophobicContact CG-CE2 3.54Å; K43-Y45 PolarHBondContact O-N 2.78Å
46	G	61.9	Low	69.9	Low	78 Å²	78	125.8 Å²	125.8	80%	0.804	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.4	-12.5	-176.9	0	0	0	0	0	117.2	T44	T44-G46 PolarHBondContact O-N 3.47Å
47	H	62.9	Low	69.3	Low	129 Å²	129	128.3 Å²	128.3	60%	0.597	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	3.7	-177.3	-57.8	-46.4	0	0	0	114.7	T44 K49	T44-H47 PolarHBondContact O-N 2.93Å; H47-K49 PolarHBondContact O-N 3.29Å; H47-K49 VanDerWaalsContact O-N 3.1Å
48	M	69.6	Low	68.6	Low	135 Å²	135	129.2 Å²	129.2	67%	0.665	67%	0.672	S	S	*	*			trans	-65.4	112.3	173.5	-170.5	168.5	62.3	0	0	109.2	T44 I50	T44-M48 PolarHBondContact O-N 3.49Å; M48-I50 PolarHBondContact O-N 3.36Å
49	K	71.8	Confident	68.1	Low	197 Å²	197	130.3 Å²	130.3	86%	0.857	68%	0.68	S	S	*	*			trans	-62.1	108.8	168.4	-68	-179.1	-179.6	178.3	0	107.6	H47 E51	H47-K49 PolarHBondContact O-N 3.29Å; H47-K49 VanDerWaalsContact O-N 3.1Å; K49-E51 PolarHBondContact O-N 3.02Å
50	I	73	Confident	67.4	Low	130 Å²	130	127.5 Å²	127.5	67%	0.667	67%	0.67	S	S	*	*			trans	-72.5	123	170.5	-58.6	170.4	0	0	0	105.9	M48 E52	M48-I50 PolarHBondContact O-N 3.36Å; I50-E52 HydrophobicContact CG2-CG 4.34Å; I50-E52 PolarHBondContact O-N 3.38Å
51	E	80	Confident	66.7	Low	192 Å²	192	130 Å²	130	90%	0.897	69%	0.688	S	S	*	*			trans	-70	84.8	165.4	-73	-166.6	174	0	0	107.6	K49	K49-E51 PolarHBondContact O-N 3.02Å
52	E	81.7	Confident	66.7	Low	151 Å²	151	133.9 Å²	133.9	71%	0.706	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.2	167.9	-66.4	-175.2	-179.9	0	0	107.9	I50 K54	I50-E52 HydrophobicContact CG2-CG 4.34Å; I50-E52 PolarHBondContact O-N 3.38Å; E52-K54 PolarHBondContact O-N 3.45Å
53	P	80.1	Confident	66.4	Low	116 Å²	116	134.4 Å²	134.4	75%	0.753	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-54.8	134.7	173.7	24.4	-32.6	0	0	0	107.9	T55	P53-T55 PolarHBondContact O-N 3.06Å
54	K	74.5	Confident	66.1	Low	191 Å²	191	133.2 Å²	133.2	83%	0.83	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-49.7	117.2	177.6	-174.2	161.8	-175.2	167.8	0	108.3	E52 P56	E52-K54 PolarHBondContact O-N 3.45Å; K54-P56 WeakPolarHBondContact O-CD 3.33Å; K54-P56 VanDerWaalsContact O-N 3.13Å
55	T	71.2	Confident	65.4	Low	114 Å²	114	134.6 Å²	134.6	70%	0.699	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-53.5	121	174.5	41.3	0	0	0	0	107.2	P53 Y57	P53-T55 PolarHBondContact O-N 3.06Å; T55-Y57 PolarHBondContact O-N 3.43Å
56	P	75.1	Confident	64.5	Low	124 Å²	124	127.6 Å²	127.6	81%	0.805	70%	0.703	S	S	*	*			trans	-57.7	112.6	-177.5	-3.2	3.1	0	0	0	108.5	K54 V58	K54-P56 WeakPolarHBondContact O-CD 3.33Å; K54-P56 VanDerWaalsContact O-N 3.13Å; P56-V58 PolarHBondContact O-N 3.36Å
57	Y	69.1	Low	63.7	Low	118 Å²	118	128.8 Å²	128.8	46%	0.463	70%	0.695	S	S	.	*			trans	-70.2	122.7	174.4	-167	-91	0	0	0	107.4	T55 F59 T69	T55-Y57 PolarHBondContact O-N 3.43Å; Y57-F59 HydrophobicContact CD1-CD1 4.12Å; Y57-F59 HydrophobicContact CD1-CD2 4.25Å; Y57-F59 HydrophobicContact CD1-CE1 4.07Å; Y57-F59 HydrophobicContact CD1-CE2 4.21Å; Y57-F59 HydrophobicContact CD1-CG 4.22Å; Y57-F59 HydrophobicContact CD1-CZ 4.12Å; Y57-F59 HydrophobicContact CE1-CD1 4.28Å; Y57-F59 HydrophobicContact CE1-CE1 4.31Å; Y57-F59 PolarHBondContact O-N 3.46Å; Y57-F59 VanDerWaalsContact O-N 3.16Å; Y57-T69 PolarHBondContact OH-O 3.45Å; Y57-T69 PolarHBondContact OH-OG1 3.18Å
58	V	66.5	Low	62.9	Low	117 Å²	117	130.8 Å²	130.8	71%	0.709	71%	0.71	S	S	*	*			trans	-72.4	106.3	171.4	177.2	0	0	0	0	106.8	P56 D60	P56-V58 PolarHBondContact O-N 3.36Å; V58-D60 PolarHBondContact O-N 2.94Å; V58-D60 VanDerWaalsContact O-N 3.15Å
59	F	62.5	Low	62.2	Low	171 Å²	171	128.5 Å²	128.5	75%	0.75	70%	0.704	S	S	*	*			trans	-75.3	103.8	167.6	-76.1	-80.1	0	0	0	108.5	Y57 S61	Y57-F59 HydrophobicContact CD1-CD1 4.12Å; Y57-F59 HydrophobicContact CD1-CD2 4.25Å; Y57-F59 HydrophobicContact CD1-CE1 4.07Å; Y57-F59 HydrophobicContact CD1-CE2 4.21Å; Y57-F59 HydrophobicContact CD1-CG 4.22Å; Y57-F59 HydrophobicContact CD1-CZ 4.12Å; Y57-F59 HydrophobicContact CE1-CD1 4.28Å; Y57-F59 HydrophobicContact CE1-CE1 4.31Å; Y57-F59 PolarHBondContact O-N 3.46Å; Y57-F59 VanDerWaalsContact O-N 3.16Å; F59-S61 PolarHBondContact O-N 2.93Å
60	D	51.9	Low	61.5	Low	65 Å²	65	121.8 Å²	121.8	35%	0.348	69%	0.691	S	S	.	*			trans	-57.5	115	167.4	-107.9	-7.5	0	0	0	108.5	V58 A66 T67	V58-D60 PolarHBondContact O-N 2.94Å; V58-D60 VanDerWaalsContact O-N 3.15Å; D60-A66 HydrophobicContact CB-CB 3.28Å; D60-A66 WeakPolarHBondContact OD2-CA 3.44Å; D60-T67 WeakPolarHBondContact OD2-CA 3.37Å; D60-T67 PolarHBondContact OD2-N 3.01Å; D60-T67 PolarHBondContact OD2-OG1 2.91Å
61	S	50.7	Low	60.8	Low	88 Å²	88	120.6 Å²	120.6	62%	0.615	69%	0.691	S	S	*	*			trans	-63.3	150.8	-165.9	-54.1	0	0	0	0	112.7	F59 D63	F59-S61 PolarHBondContact O-N 2.93Å; S61-D63 PolarHBondContact O-N 3.49Å
62	E	58	Low	60.1	Low	193 Å²	193	120.1 Å²	120.1	90%	0.902	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	0.3	-173.6	60.6	-165.6	153.9	0	0	116.9
63	D	52.9	Low	59.8	Low	139 Å²	139	117.6 Å²	117.6	74%	0.743	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	63.1	-178.9	-70.4	-23.7	0	0	0	111.8	S61 S65	S61-D63 PolarHBondContact O-N 3.49Å; D63-S65 PolarHBondContact O-N 3.4Å
64	G	50.8	Low	59.8	Low	84 Å²	84	115.5 Å²	115.5	87%	0.866	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.3	16.8	159.2	0	0	0	0	0	118.2
65	S	46.9	Very low	60.1	Low	101 Å²	101	111.8 Å²	111.8	71%	0.706	66%	0.661	S	S	*	*			trans	-137.4	71.3	-178.9	179.4	0	0	0	0	108.7	D63	D63-S65 PolarHBondContact O-N 3.4Å
66	A	43.2	Very low	60.6	Low	47 Å²	47	113.5 Å²	113.5	39%	0.388	66%	0.661	S	S	.	*			trans	-161.2	81.5	-156	0	0	0	0	0	111.8	D60 N68	D60-A66 HydrophobicContact CB-CB 3.28Å; D60-A66 WeakPolarHBondContact OD2-CA 3.44Å; A66-N68 PolarHBondContact O-N 2.92Å
67	T	45.6	Very low	61.1	Low	102 Å²	102	111.2 Å²	111.2	63%	0.626	64%	0.642	S	S	*	*			trans	-51.7	103.2	-175.3	41.8	0	0	0	0	116.6	D60 T69	D60-T67 WeakPolarHBondContact OD2-CA 3.37Å; D60-T67 PolarHBondContact OD2-N 3.01Å; D60-T67 PolarHBondContact OD2-OG1 2.91Å; T67-T69 WeakPolarHBondContact O-CG2 3.3Å; T67-T69 PolarHBondContact O-N 3.4Å; T67-T69 PolarHBondContact O-OG1 3.35Å
68	N	46.7	Very low	61.8	Low	171 Å²	171	109.5 Å²	109.5	91%	0.914	64%	0.641	S	S	*	*			trans	23.3	53.2	133.8	-135.2	17.3	0	0	0	121	A66	A66-N68 PolarHBondContact O-N 2.92Å
69	T	53.2	Low	62.7	Low	88 Å²	88	106.5 Å²	106.5	54%	0.54	63%	0.628	S	S	.	*			trans	-129	32	179.6	60.6	0	0	0	0	116.2	Y57 T67	Y57-T69 PolarHBondContact OH-O 3.45Å; Y57-T69 PolarHBondContact OH-OG1 3.18Å; T67-T69 WeakPolarHBondContact O-CG2 3.3Å; T67-T69 PolarHBondContact O-N 3.4Å; T67-T69 PolarHBondContact O-OG1 3.35Å
70	G	58.6	Low	63.7	Low	56 Å²	56	101.2 Å²	101.2	58%	0.577	62%	0.616	S	S	*	*	S	Bend	trans	-81.5	154.9	166.1	0	0	0	0	0	112.4	L72	G70-L72 PolarHBondContact O-N 3.45Å; G70-L72 VanDerWaalsContact O-N 3.1Å
71	P	56.9	Low	65.2	Low	104 Å²	104	106.6 Å²	106.6	68%	0.675	63%	0.632	S	S	*	*			trans	-62.9	117.5	179	-10.2	23.9	0	0	0	109.9	F73	P71-F73 HydrophobicContact CB-CD1 3.69Å; P71-F73 HydrophobicContact CB-CE1 3.33Å; P71-F73 HydrophobicContact CB-CZ 3.97Å; P71-F73 HydrophobicContact CG-CE1 4.39Å; P71-F73 PolarHBondContact O-N 3.35Å
72	L	66.4	Low	66.8	Low	182 Å²	182	108 Å²	108	95%	0.953	63%	0.632	S	S	*	*			trans	-74.9	50.6	179.8	-167.9	72.9	0	0	0	111.5	G70	G70-L72 PolarHBondContact O-N 3.45Å; G70-L72 VanDerWaalsContact O-N 3.1Å
73	F	75.2	Confident	68	Low	99 Å²	99	101.9 Å²	101.9	43%	0.434	61%	0.61	S	S	.	*			trans	-140.1	138	172.1	63.1	-98.3	0	0	0	110.6	P71 D77 L78	P71-F73 HydrophobicContact CB-CD1 3.69Å; P71-F73 HydrophobicContact CB-CE1 3.33Å; P71-F73 HydrophobicContact CB-CZ 3.97Å; P71-F73 HydrophobicContact CG-CE1 4.39Å; P71-F73 PolarHBondContact O-N 3.35Å; F73-D77 HydrophobicContact CB-CB 4.18Å; F73-L78 HydrophobicContact CD2-CB 4.3Å; F73-L78 HydrophobicContact CD2-CD1 4.36Å; F73-L78 HydrophobicContact CE2-CB 4.37Å; F73-L78 HydrophobicContact CE2-CD1 3.85Å; F73-L78 HydrophobicContact CZ-CD1 4.38Å
74	T	79.8	Confident	69.2	Low	71 Å²	71	98.6 Å²	98.6	44%	0.436	60%	0.603	S	S	.	*			trans	-78.1	157.4	174	64.7	0	0	0	0	110.1	E76 D77 L78	T74-E76 PolarHBondContact O-N 2.96Å; T74-D77 PolarHBondContact N-OD2 3.19Å; T74-D77 WeakPolarHBondContact O-CB 3.22Å; T74-D77 PolarHBondContact O-N 2.93Å; T74-D77 PolarHBondContact OG1-N 2.9Å; T74-D77 PolarHBondContact OG1-OD2 3.17Å; T74-L78 PolarHBondContact O-N 2.86Å
75	P	80	Confident	70.3	Confident	113 Å²	113	98.2 Å²	98.2	73%	0.734	59%	0.591	S	S	*	*	H	α-helix	trans	-54.1	-32.6	171.3	-25.2	34	0	0	0	112.7	L78 A79	P75-L78 WeakPolarHBondContact O-CB 3.37Å; P75-L78 PolarHBondContact O-N 3.44Å; P75-A79 PolarHBondContact O-N 3.3Å
76	E	83.6	Confident	71.4	Confident	150 Å²	150	97 Å²	97	70%	0.701	58%	0.583	S	S	*	*	H	α-helix	trans	-65	-43.1	175.6	-146.5	74.9	-157.2	0	0	111.7	T74 L78 A79 A80	T74-E76 PolarHBondContact O-N 2.96Å; E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 3.43Å; E76-A79 PolarHBondContact O-N 3.49Å; E76-A80 WeakPolarHBondContact O-CB 3.4Å; E76-A80 PolarHBondContact O-N 3.22Å
77	D	85	Confident	72.4	Confident	76 Å²	76	103 Å²	103	41%	0.406	60%	0.6	S	S	.	*	H	α-helix	trans	-61.9	-37.4	176.5	-64.7	-44.7	0	0	0	111.6	F73 T74 R81	F73-D77 HydrophobicContact CB-CB 4.18Å; T74-D77 PolarHBondContact N-OD2 3.19Å; T74-D77 WeakPolarHBondContact O-CB 3.22Å; T74-D77 PolarHBondContact O-N 2.93Å; T74-D77 PolarHBondContact OG1-N 2.9Å; T74-D77 PolarHBondContact OG1-OD2 3.17Å; D77-R81 WeakPolarHBondContact O-CG 3.33Å; D77-R81 PolarHBondContact O-N 2.86Å; D77-R81 VanDerWaalsContact O-N 3.12Å
78	L	82.6	Confident	73.1	Confident	82 Å²	82	101.7 Å²	101.7	43%	0.429	59%	0.589	S	S	.	*	H	α-helix	trans	-65.9	-46.8	175.6	-168.6	86.6	0	0	0	110.9	F73 T74 P75 E76 A80 R81 L82	F73-L78 HydrophobicContact CD2-CB 4.3Å; F73-L78 HydrophobicContact CD2-CD1 4.36Å; F73-L78 HydrophobicContact CE2-CB 4.37Å; F73-L78 HydrophobicContact CE2-CD1 3.85Å; F73-L78 HydrophobicContact CZ-CD1 4.38Å; T74-L78 PolarHBondContact O-N 2.86Å; P75-L78 WeakPolarHBondContact O-CB 3.37Å; P75-L78 PolarHBondContact O-N 3.44Å; E76-L78 VanDerWaalsContact C-N 3.27Å; E76-L78 PolarHBondContact O-N 3.43Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.9Å; L78-R81 PolarHBondContact O-N 3.25Å; L78-L82 HydrophobicContact CG-CD1 4.41Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.4Å
79	A	85.6	Confident	73.5	Confident	54 Å²	54	97.9 Å²	97.9	45%	0.446	57%	0.574	S	S	.	*	H	α-helix	trans	-61.5	-41	178.8	0	0	0	0	0	111.8	P75 E76 L82 S83	P75-A79 PolarHBondContact O-N 3.3Å; E76-A79 PolarHBondContact O-N 3.49Å; A79-L82 PolarHBondContact O-N 2.8Å; A79-S83 PolarHBondContact O-N 3.48Å
80	A	84.8	Confident	73.7	Confident	61 Å²	61	100.4 Å²	100.4	50%	0.504	58%	0.584	S	S	.	*	H	α-helix	trans	-61.6	-44	175.8	0	0	0	0	0	112	E76 L78 S83 A84	E76-A80 WeakPolarHBondContact O-CB 3.4Å; E76-A80 PolarHBondContact O-N 3.22Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.9Å; A80-S83 PolarHBondContact O-N 3.02Å; A80-A84 PolarHBondContact O-N 2.95Å
81	R	83.5	Confident	73.4	Confident	178 Å²	178	104.7 Å²	104.7	67%	0.672	59%	0.589	S	S	*	*	H	α-helix	trans	-63	-42.1	177.1	-75.6	174.1	173.6	-167.4	-0.7	112.5	D77 L78 A84 A85	D77-R81 WeakPolarHBondContact O-CG 3.33Å; D77-R81 PolarHBondContact O-N 2.86Å; D77-R81 VanDerWaalsContact O-N 3.12Å; L78-R81 PolarHBondContact O-N 3.25Å; R81-A84 PolarHBondContact O-N 3.23Å; R81-A85 PolarHBondContact O-N 2.88Å
82	L	83.3	Confident	73	Confident	117 Å²	117	106.6 Å²	106.6	61%	0.613	59%	0.589	S	S	*	*	H	α-helix	trans	-66.7	-41.4	178.1	-71.2	171.9	0	0	0	112.1	L78 A79 A84 A85 S86	L78-L82 HydrophobicContact CG-CD1 4.41Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.4Å; A79-L82 PolarHBondContact O-N 2.8Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.08Å; L82-A85 PolarHBondContact O-N 2.97Å; L82-S86 PolarHBondContact O-N 3.13Å
83	S	82.8	Confident	72.3	Confident	64 Å²	64	104.1 Å²	104.1	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-63.4	-39.7	175.7	176.7	0	0	0	0	112.1	A79 A80 A85 S86	A79-S83 PolarHBondContact O-N 3.48Å; A80-S83 PolarHBondContact O-N 3.02Å; S83-A85 VanDerWaalsContact C-N 3.32Å; S83-A85 PolarHBondContact O-N 3.02Å; S83-S86 PolarHBondContact O-N 3.49Å; S83-S86 PolarHBondContact O-OG 2.94Å
84	A	79.1	Confident	70.7	Confident	71 Å²	71	104.3 Å²	104.3	59%	0.587	59%	0.587	S	S	*	*	H	α-helix	trans	-61.9	-39.9	176.2	0	0	0	0	0	112.1	A80 R81 L82 S86	A80-A84 PolarHBondContact O-N 2.95Å; R81-A84 PolarHBondContact O-N 3.23Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.08Å; A84-S86 VanDerWaalsContact C-N 3.31Å; A84-S86 PolarHBondContact O-N 2.89Å
85	A	73.6	Confident	68.7	Low	75 Å²	75	106 Å²	106	62%	0.62	60%	0.602	S	S	*	*	H	α-helix	trans	-68.2	-26.4	178.1	0	0	0	0	0	113.7	R81 L82 S83	R81-A85 PolarHBondContact O-N 2.88Å; L82-A85 PolarHBondContact O-N 2.97Å; S83-A85 VanDerWaalsContact C-N 3.32Å; S83-A85 PolarHBondContact O-N 3.02Å
86	S	69.5	Low	67	Low	77 Å²	77	103.5 Å²	103.5	54%	0.538	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-9.9	-178.7	64.7	0	0	0	0	115.7	L82 S83 A84 D88	L82-S86 PolarHBondContact O-N 3.13Å; S83-S86 PolarHBondContact O-N 3.49Å; S83-S86 PolarHBondContact O-OG 2.94Å; A84-S86 VanDerWaalsContact C-N 3.31Å; A84-S86 PolarHBondContact O-N 2.89Å; S86-D88 PolarHBondContact O-N 3.49Å
87	K	65.1	Low	65.1	Low	171 Å²	171	101.5 Å²	101.5	74%	0.743	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.6	-168.1	-120	170.5	-176.7	171	0	114.9	P89	K87-P89 WeakPolarHBondContact O-CD 3.2Å
88	D	59	Low	63.3	Low	76 Å²	76	107.5 Å²	107.5	41%	0.406	61%	0.611	S	S	.	*			trans	-121.5	85.9	-176.6	-129.4	-17.9	0	0	0	110.2	S86 D90 Q91	S86-D88 PolarHBondContact O-N 3.49Å; D88-D90 PolarHBondContact O-N 3.21Å; D88-Q91 HydrophobicContact CB-CB 4.22Å; D88-Q91 HydrophobicContact CB-CG 3.84Å; D88-Q91 PolarHBondContact O-N 2.96Å; D88-Q91 VanDerWaalsContact O-N 3.07Å; D88-Q91 PolarHBondContact OD2-NE2 3.26Å
89	P	56.7	Low	61.8	Low	91 Å²	91	108 Å²	108	59%	0.591	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-65.7	-18.7	-178.8	26	-32.8	0	0	0	112.9	K87 Q91 Q92	K87-P89 WeakPolarHBondContact O-CD 3.2Å; P89-Q91 VanDerWaalsContact C-N 3.3Å; P89-Q92 PolarHBondContact O-N 3.26Å
90	D	56.3	Low	60.6	Low	140 Å²	140	109.5 Å²	109.5	75%	0.749	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-80.2	-9	174.4	-74.8	-20.2	0	0	0	113.4	D88	D88-D90 PolarHBondContact O-N 3.21Å
91	Q	52.9	Low	59.8	Low	147 Å²	147	114.3 Å²	114.3	69%	0.687	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-89.4	0.2	168.9	-63.4	-170.9	30.2	0	0	112.9	D88 P89	D88-Q91 HydrophobicContact CB-CB 4.22Å; D88-Q91 HydrophobicContact CB-CG 3.84Å; D88-Q91 PolarHBondContact O-N 2.96Å; D88-Q91 VanDerWaalsContact O-N 3.07Å; D88-Q91 PolarHBondContact OD2-NE2 3.26Å; P89-Q91 VanDerWaalsContact C-N 3.3Å
92	Q	49.3	Very low	59.3	Low	144 Å²	144	112.6 Å²	112.6	67%	0.673	63%	0.626	S	S	*	*			trans	-100.1	2.1	-178.7	-72.6	-170.6	-18	0	0	115	P89	P89-Q92 PolarHBondContact O-N 3.26Å
93	L	50	Low	58.6	Low	129 Å²	129	110.8 Å²	110.8	68%	0.675	62%	0.615	S	S	*	*	S	Bend	trans	-68.3	136.4	154.4	-68.8	170.5	0	0	0	106.6	S95	L93-S95 PolarHBondContact O-N 2.88Å
94	P	42.3	Very low	58.3	Low	103 Å²	103	111.1 Å²	111.1	67%	0.669	61%	0.611	S	S	*	*			trans	-63.9	84.4	159.1	28.9	-29.3	0	0	0	105.5	A96	P94-A96 PolarHBondContact O-N 3.35Å
95	S	39	Very low	58.5	Low	107 Å²	107	111.8 Å²	111.8	75%	0.748	60%	0.602	S	S	*	*			trans	-54.6	99.8	164.2	-172.4	0	0	0	0	103.2	L93 T97	L93-S95 PolarHBondContact O-N 2.88Å; S95-T97 WeakPolarHBondContact O-CA 3.43Å; S95-T97 PolarHBondContact O-N 3.11Å
96	A	44.1	Very low	58.8	Low	60 Å²	60	114.2 Å²	114.2	50%	0.496	60%	0.6	S	S	.	*	S	Bend	trans	-8.8	86.2	-166.8	0	0	0	0	0	109.3	P94 K98	P94-A96 PolarHBondContact O-N 3.35Å; A96-K98 PolarHBondContact O-N 3.08Å
97	T	43.1	Very low	59.3	Low	109 Å²	109	114.9 Å²	114.9	67%	0.669	60%	0.595	S	S	*	*			trans	-37	111	-163.9	-0.8	0	0	0	0	106	S95 L99	S95-T97 WeakPolarHBondContact O-CA 3.43Å; S95-T97 PolarHBondContact O-N 3.11Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 WeakPolarHBondContact O-CA 3.3Å; T97-L99 PolarHBondContact O-N 3.41Å
98	K	47	Very low	60.3	Low	201 Å²	201	113 Å²	113	87%	0.874	58%	0.583	S	S	*	*			trans	-18.3	100.9	179.6	-81.4	175.4	175.3	177.8	0	106.3	A96 D100	A96-K98 PolarHBondContact O-N 3.08Å; K98-D100 WeakPolarHBondContact O-CA 3.45Å; K98-D100 PolarHBondContact O-N 3.49Å
99	L	50.5	Low	61.8	Low	93 Å²	93	115.3 Å²	115.3	49%	0.487	59%	0.59	S	S	.	*			trans	-42	117.7	179.4	-79.2	171.5	0	0	0	103.8	T97 Q101 E103 D104	T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 WeakPolarHBondContact O-CA 3.3Å; T97-L99 PolarHBondContact O-N 3.41Å; L99-Q101 PolarHBondContact O-N 3.06Å; L99-E103 WeakPolarHBondContact CD2-OE2 3.32Å; L99-D104 HydrophobicContact CB-CB 4.44Å; L99-D104 VanDerWaalsContact CD1-OD1 3.25Å; L99-D104 WeakPolarHBondContact CD1-OD1 3.36Å
100	D	60.5	Low	63.3	Low	86 Å²	86	116 Å²	116	46%	0.46	58%	0.584	S	S	.	*			trans	-47.9	130.6	-170.6	-169.2	1.4	0	0	0	104.5	K98 E102 E103 D104	K98-D100 WeakPolarHBondContact O-CA 3.45Å; K98-D100 PolarHBondContact O-N 3.49Å; D100-E102 CarbonylContact O-C 3.36Å; D100-E102 PolarHBondContact O-N 3.02Å; D100-E103 HydrophobicContact CB-CB 4.49Å; D100-E103 HydrophobicContact CB-CG 4.14Å; D100-E103 WeakPolarHBondContact O-CA 3.45Å; D100-E103 WeakPolarHBondContact O-CB 3.26Å; D100-E103 PolarHBondContact O-N 2.88Å; D100-D104 PolarHBondContact O-N 3.38Å
101	Q	69.5	Low	64.8	Low	161 Å²	161	114.2 Å²	114.2	75%	0.752	57%	0.566	S	S	*	*	H	α-helix	trans	-51.8	-28.5	-168.5	-70.7	-179	-23.4	0	0	110.1	L99 E105	L99-Q101 PolarHBondContact O-N 3.06Å; Q101-E105 WeakPolarHBondContact O-CB 3.49Å; Q101-E105 VanDerWaalsContact O-CG 3.24Å; Q101-E105 WeakPolarHBondContact O-CG 3.41Å; Q101-E105 PolarHBondContact O-N 2.82Å
102	E	71.6	Confident	66.6	Low	142 Å²	142	112.9 Å²	112.9	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-56.3	-50.3	165.6	-170.3	167	-167.9	0	0	116.4	D100 E105 H106	D100-E102 CarbonylContact O-C 3.36Å; D100-E102 PolarHBondContact O-N 3.02Å; E102-E105 PolarHBondContact O-N 2.93Å; E102-H106 VanDerWaalsContact O-CB 3.3Å; E102-H106 WeakPolarHBondContact O-CB 3.34Å; E102-H106 PolarHBondContact O-N 3.1Å
103	E	69.7	Low	68.7	Low	80 Å²	80	113.8 Å²	113.8	37%	0.374	56%	0.562	S	S	.	*	H	α-helix	trans	-61.8	-41.8	175.7	-71.2	-175.8	162.8	0	0	112.2	L99 D100 E105 H106 Q107	L99-E103 WeakPolarHBondContact CD2-OE2 3.32Å; D100-E103 HydrophobicContact CB-CB 4.49Å; D100-E103 HydrophobicContact CB-CG 4.14Å; D100-E103 WeakPolarHBondContact O-CA 3.45Å; D100-E103 WeakPolarHBondContact O-CB 3.26Å; D100-E103 PolarHBondContact O-N 2.88Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 3.15Å; E103-H106 PolarHBondContact O-N 3.2Å; E103-Q107 WeakPolarHBondContact O-CB 3.29Å; E103-Q107 PolarHBondContact O-N 3.29Å
104	D	75.7	Confident	70.6	Confident	70 Å²	70	114.6 Å²	114.6	37%	0.374	56%	0.556	S	S	.	*	H	α-helix	trans	-63.7	-41.6	177.6	-106.8	-18.7	0	0	0	111.5	L99 D100 R108	L99-D104 HydrophobicContact CB-CB 4.44Å; L99-D104 VanDerWaalsContact CD1-OD1 3.25Å; L99-D104 WeakPolarHBondContact CD1-OD1 3.36Å; D100-D104 PolarHBondContact O-N 3.38Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 3.13Å
105	E	82.9	Confident	72.7	Confident	86 Å²	86	117.8 Å²	117.8	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-67.5	-41.2	173.4	-75.6	-167.4	175.4	0	0	112.8	Q101 E102 E103 Q107 R108 K109	Q101-E105 WeakPolarHBondContact O-CB 3.49Å; Q101-E105 VanDerWaalsContact O-CG 3.24Å; Q101-E105 WeakPolarHBondContact O-CG 3.41Å; Q101-E105 PolarHBondContact O-N 2.82Å; E102-E105 PolarHBondContact O-N 2.93Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 3.15Å; E105-Q107 VanDerWaalsContact C-N 3.33Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 3.27Å; E105-R108 IonicContact OE1-NH2 3.7Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.01Å
106	H	81.2	Confident	75	Confident	125 Å²	125	119.2 Å²	119.2	58%	0.579	55%	0.554	S	S	*	*	H	α-helix	trans	-60.3	-46.7	175.5	178.7	-99	0	0	0	110.2	E102 E103 R108 K109 F110	E102-H106 VanDerWaalsContact O-CB 3.3Å; E102-H106 WeakPolarHBondContact O-CB 3.34Å; E102-H106 PolarHBondContact O-N 3.1Å; E103-H106 PolarHBondContact O-N 3.2Å; H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact O-N 2.93Å; H106-K109 PolarHBondContact O-N 3.05Å; H106-F110 WeakPolarHBondContact O-CB 3.46Å; H106-F110 PolarHBondContact O-N 3.27Å
107	Q	79.4	Confident	77.4	Confident	91 Å²	91	122.1 Å²	122.1	43%	0.425	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-35.4	176.3	-168.4	68.1	-7.2	0	0	111.7	E103 E105 R111	E103-Q107 WeakPolarHBondContact O-CB 3.29Å; E103-Q107 PolarHBondContact O-N 3.29Å; E105-Q107 VanDerWaalsContact C-N 3.33Å; Q107-R111 WeakPolarHBondContact O-CG 3.42Å; Q107-R111 PolarHBondContact O-N 2.98Å
108	R	86.7	Confident	79.6	Confident	132 Å²	132	123.3 Å²	123.3	50%	0.498	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-50	172.5	-177.8	-178.4	63.7	-174.1	-6.5	111.8	D104 E105 H106 F110 R111 E112	D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 3.13Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 3.27Å; E105-R108 IonicContact OE1-NH2 3.7Å; H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact O-N 2.93Å; R108-F110 VanDerWaalsContact C-N 3.29Å; R108-F110 PolarHBondContact O-N 2.95Å; R108-R111 VanDerWaalsContact CA-NH2 3.29Å; R108-R111 PolarHBondContact O-N 3.27Å; R108-E112 PolarHBondContact O-N 3.4Å
109	K	90.5	Very high	81.5	Confident	124 Å²	124	118.2 Å²	118.2	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-59.9	-40.4	177.1	-71.1	170.6	-173.7	166.6	0	111.1	E105 H106 E112 K113	E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.01Å; H106-K109 PolarHBondContact O-N 3.05Å; K109-E112 PolarHBondContact O-N 3.15Å; K109-K113 WeakPolarHBondContact O-CB 3.33Å; K109-K113 PolarHBondContact O-N 2.98Å
110	F	88.5	Confident	83.1	Confident	107 Å²	107	118.3 Å²	118.3	47%	0.469	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-47.1	176.6	-179.5	-99.6	0	0	0	112	H106 R108 E112 K113 R114	H106-F110 WeakPolarHBondContact O-CB 3.46Å; H106-F110 PolarHBondContact O-N 3.27Å; R108-F110 VanDerWaalsContact C-N 3.29Å; R108-F110 PolarHBondContact O-N 2.95Å; F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.1Å; F110-K113 PolarHBondContact O-N 3.17Å; F110-R114 VanDerWaalsContact O-CB 3.24Å; F110-R114 WeakPolarHBondContact O-CB 3.43Å; F110-R114 PolarHBondContact O-N 3.5Å
111	R	87.5	Confident	84.3	Confident	101 Å²	101	119.5 Å²	119.5	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-58.3	-42	175.6	-74.4	-173.9	-60.3	-97.6	-5	111.9	Q107 R108 K115	Q107-R111 WeakPolarHBondContact O-CG 3.42Å; Q107-R111 PolarHBondContact O-N 2.98Å; R108-R111 VanDerWaalsContact CA-NH2 3.29Å; R108-R111 PolarHBondContact O-N 3.27Å; R111-K115 WeakPolarHBondContact O-CB 3.4Å; R111-K115 PolarHBondContact O-N 3.26Å
112	E	89	Confident	85	Confident	120 Å²	120	117.2 Å²	117.2	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-68	-47.5	179.2	-173.7	168.6	-161.1	0	0	112.2	R108 K109 F110 R114 K115 Q116	R108-E112 PolarHBondContact O-N 3.4Å; K109-E112 PolarHBondContact O-N 3.15Å; F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.1Å; E112-R114 VanDerWaalsContact C-N 3.31Å; E112-R114 PolarHBondContact O-N 3.29Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 2.92Å; E112-K115 VanDerWaalsContact O-N 3.15Å; E112-Q116 WeakPolarHBondContact O-CG 3.27Å; E112-Q116 PolarHBondContact O-N 3.48Å
113	K	93.6	Very high	85.5	Confident	163 Å²	163	113.4 Å²	113.4	71%	0.709	52%	0.518	S	S	*	.	H	α-helix	trans	-59.8	-42.9	175.7	-173.5	174.5	-177.8	177.4	0	111.6	K109 F110 K115 Q116 H117	K109-K113 WeakPolarHBondContact O-CB 3.33Å; K109-K113 PolarHBondContact O-N 2.98Å; F110-K113 PolarHBondContact O-N 3.17Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 3.21Å; K113-Q116 PolarHBondContact O-N 3.39Å; K113-H117 WeakPolarHBondContact O-CB 3.49Å; K113-H117 PolarHBondContact O-N 2.87Å
114	R	90.1	Very high	86.2	Confident	145 Å²	145	113.1 Å²	113.1	55%	0.547	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-42	175.9	-175.6	173.8	175.5	-178.9	-1	111.6	F110 E112 Q116 H117 Y118	F110-R114 VanDerWaalsContact O-CB 3.24Å; F110-R114 WeakPolarHBondContact O-CB 3.43Å; F110-R114 PolarHBondContact O-N 3.5Å; E112-R114 VanDerWaalsContact C-N 3.31Å; E112-R114 PolarHBondContact O-N 3.29Å; R114-Q116 VanDerWaalsContact C-N 3.35Å; R114-H117 PolarHBondContact O-N 2.91Å; R114-Y118 HydrophobicContact CG-CD2 3.57Å; R114-Y118 HydrophobicContact CG-CE2 3.62Å; R114-Y118 WeakPolarHBondContact O-CD2 3.32Å; R114-Y118 PolarHBondContact O-N 3.4Å
115	K	87.3	Confident	86.6	Confident	170 Å²	170	115 Å²	115	74%	0.739	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-38.4	176.2	-176.6	-178.3	177.6	-175	0	112.4	R111 E112 K113	R111-K115 WeakPolarHBondContact O-CB 3.4Å; R111-K115 PolarHBondContact O-N 3.26Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 2.92Å; E112-K115 VanDerWaalsContact O-N 3.15Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 3.21Å
116	Q	87.6	Confident	86.8	Confident	138 Å²	138	116.1 Å²	116.1	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-74	-30	175.9	-65.6	-63.8	-28.5	0	0	112.8	E112 K113 R114	E112-Q116 WeakPolarHBondContact O-CG 3.27Å; E112-Q116 PolarHBondContact O-N 3.48Å; K113-Q116 PolarHBondContact O-N 3.39Å; R114-Q116 VanDerWaalsContact C-N 3.35Å
117	H	93	Very high	87	Confident	120 Å²	120	112.4 Å²	112.4	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-75.6	-45.1	-176.6	-178.9	52.5	0	0	0	113.6	K113 R114 N119	K113-H117 WeakPolarHBondContact O-CB 3.49Å; K113-H117 PolarHBondContact O-N 2.87Å; R114-H117 PolarHBondContact O-N 2.91Å; H117-N119 PolarHBondContact O-N 3.21Å; H117-N119 VanDerWaalsContact O-N 3.1Å
118	Y	89.4	Confident	87.2	Confident	135 Å²	135	111.8 Å²	111.8	53%	0.529	52%	0.521	S	S	.	.			trans	-85.9	77.9	-178.9	-68.3	-63.7	0	0	0	110.7	R114 E120	R114-Y118 HydrophobicContact CG-CD2 3.57Å; R114-Y118 HydrophobicContact CG-CE2 3.62Å; R114-Y118 WeakPolarHBondContact O-CD2 3.32Å; R114-Y118 PolarHBondContact O-N 3.4Å; Y118-E120 WeakPolarHBondContact CA-OE2 3.36Å; Y118-E120 WeakPolarHBondContact CD1-OE1 3.44Å
119	N	87.7	Confident	87	Confident	93 Å²	93	110.1 Å²	110.1	50%	0.497	52%	0.519	S	S	.	.			trans	-115	19.4	179.9	72.3	-13.1	0	0	0	113.2	H117 F121 L122	H117-N119 PolarHBondContact O-N 3.21Å; H117-N119 VanDerWaalsContact O-N 3.1Å; N119-F121 PolarHBondContact O-N 3.34Å; N119-F121 VanDerWaalsContact O-N 3.08Å; N119-L122 HydrophobicContact CB-CD1 4.37Å; N119-L122 WeakPolarHBondContact O-CB 3.42Å; N119-L122 PolarHBondContact O-N 3.26Å
120	E	84.7	Confident	86.6	Confident	96 Å²	96	106.9 Å²	106.9	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-26.9	-173	-61.9	84.1	174.5	0	0	113	Y118 L122 A123 V124	Y118-E120 WeakPolarHBondContact CA-OE2 3.36Å; Y118-E120 WeakPolarHBondContact CD1-OE1 3.44Å; E120-L122 PolarHBondContact O-N 3Å; E120-A123 WeakPolarHBondContact O-CA 3.17Å; E120-A123 WeakPolarHBondContact O-CB 3.33Å; E120-A123 PolarHBondContact O-N 3.41Å; E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.27Å
121	F	84.6	Confident	86.2	Confident	110 Å²	110	106.6 Å²	106.6	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-55.1	-35.8	173.2	175.9	-104.4	0	0	0	112.8	N119 A123 V124 K125 V154	N119-F121 PolarHBondContact O-N 3.34Å; N119-F121 VanDerWaalsContact O-N 3.08Å; F121-A123 VanDerWaalsContact C-N 3.34Å; F121-V124 PolarHBondContact O-N 3.05Å; F121-K125 WeakPolarHBondContact O-CB 3.37Å; F121-K125 PolarHBondContact O-N 3.37Å; F121-V154 HydrophobicContact CD2-CG2 3.69Å; F121-V154 HydrophobicContact CE2-CG1 4.33Å; F121-V154 HydrophobicContact CE2-CG2 3.38Å; F121-V154 HydrophobicContact CZ-CG2 4.33Å
122	L	84.2	Confident	85.7	Confident	113 Å²	113	105.7 Å²	105.7	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-36.9	175.7	-64.6	176.5	0	0	0	111.7	N119 E120 L126	N119-L122 HydrophobicContact CB-CD1 4.37Å; N119-L122 WeakPolarHBondContact O-CB 3.42Å; N119-L122 PolarHBondContact O-N 3.26Å; E120-L122 PolarHBondContact O-N 3Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.19Å
123	A	82.7	Confident	84.9	Confident	63 Å²	63	104.9 Å²	104.9	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-40.8	176.4	0	0	0	0	0	111.4	E120 F121 L126 A127	E120-A123 WeakPolarHBondContact O-CA 3.17Å; E120-A123 WeakPolarHBondContact O-CB 3.33Å; E120-A123 PolarHBondContact O-N 3.41Å; F121-A123 VanDerWaalsContact C-N 3.34Å; A123-L126 PolarHBondContact O-N 3.08Å; A123-A127 VanDerWaalsContact O-CB 3.32Å; A123-A127 WeakPolarHBondContact O-CB 3.33Å; A123-A127 PolarHBondContact O-N 2.85Å
124	V	85	Confident	83.6	Confident	73 Å²	73	102.9 Å²	102.9	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-45.2	174.2	174.1	0	0	0	0	110.6	E120 F121 L126 A127 K128	E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.27Å; F121-V124 PolarHBondContact O-N 3.05Å; V124-L126 PolarHBondContact O-N 3Å; V124-A127 PolarHBondContact O-N 2.85Å; V124-K128 WeakPolarHBondContact O-CB 3.39Å; V124-K128 PolarHBondContact O-N 2.87Å
125	K	83.5	Confident	82.2	Confident	110 Å²	110	98.6 Å²	98.6	48%	0.478	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-44.7	177.2	-173.2	175.2	179	178.7	0	112.2	F121 K128 E129	F121-K125 WeakPolarHBondContact O-CB 3.37Å; F121-K125 PolarHBondContact O-N 3.37Å; K125-K128 PolarHBondContact O-N 2.92Å; K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.39Å; K125-E129 WeakPolarHBondContact O-CG 3.25Å; K125-E129 PolarHBondContact O-N 3.3Å
126	L	86.5	Confident	80.7	Confident	110 Å²	110	97.1 Å²	97.1	58%	0.576	50%	0.495	S	S	*	.	H	α-helix	trans	-64.3	-43.9	176.8	-172.7	155	0	0	0	111.7	L122 A123 V124 K128 E129 S130	L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.19Å; A123-L126 PolarHBondContact O-N 3.08Å; V124-L126 PolarHBondContact O-N 3Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.21Å; L126-E129 PolarHBondContact O-N 3.05Å; L126-S130 PolarHBondContact O-N 3.48Å; L126-S130 PolarHBondContact O-OG 3.19Å
127	A	85.4	Confident	79.3	Confident	47 Å²	47	99.9 Å²	99.9	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-40.5	177.5	0	0	0	0	0	111.8	A123 V124 S130 L131	A123-A127 VanDerWaalsContact O-CB 3.32Å; A123-A127 WeakPolarHBondContact O-CB 3.33Å; A123-A127 PolarHBondContact O-N 2.85Å; V124-A127 PolarHBondContact O-N 2.85Å; A127-S130 PolarHBondContact O-N 3.36Å; A127-L131 WeakPolarHBondContact O-CG 3.4Å; A127-L131 PolarHBondContact O-N 2.83Å
128	K	84.1	Confident	77.4	Confident	78 Å²	78	96 Å²	96	34%	0.339	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-45.8	174.6	-179.9	175.6	168.7	173.3	0	111.9	V124 K125 L126 S130 L131 Q132 D147	V124-K128 WeakPolarHBondContact O-CB 3.39Å; V124-K128 PolarHBondContact O-N 2.87Å; K125-K128 PolarHBondContact O-N 2.92Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.21Å; K128-S130 PolarHBondContact O-N 2.8Å; K128-L131 PolarHBondContact O-N 2.79Å; K128-Q132 WeakPolarHBondContact O-CB 3.35Å; K128-Q132 PolarHBondContact O-N 3.06Å; K128-D147 WeakPolarHBondContact CE-OD1 3.35Å; K128-D147 WeakPolarHBondContact CE-OD2 3.24Å; K128-D147 IonicContact NZ-OD1 3.74Å; K128-D147 PolarHBondContact NZ-OD1 3.48Å; K128-D147 IonicContact NZ-OD2 3.02Å; K128-D147 PolarHBondContact NZ-OD2 3.41Å
129	E	83	Confident	75.6	Confident	96 Å²	96	98 Å²	98	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-40.6	175.8	-72.6	172.8	-170.5	0	0	111.6	K125 L126 Q132 N133	K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.39Å; K125-E129 WeakPolarHBondContact O-CG 3.25Å; K125-E129 PolarHBondContact O-N 3.3Å; L126-E129 PolarHBondContact O-N 3.05Å; E129-Q132 PolarHBondContact O-N 3.17Å; E129-N133 VanDerWaalsContact O-CG 3.28Å; E129-N133 PolarHBondContact O-N 2.76Å; E129-N133 PolarHBondContact O-ND2 2.65Å
130	S	81.4	Confident	73.7	Confident	57 Å²	57	101.3 Å²	101.3	40%	0.399	53%	0.532	S	S	.	.	H	α-helix	trans	-63.2	-46.3	174.5	-71.6	0	0	0	0	112.6	L126 A127 K128 Q132 N133 D134	L126-S130 PolarHBondContact O-N 3.48Å; L126-S130 PolarHBondContact O-OG 3.19Å; A127-S130 PolarHBondContact O-N 3.36Å; K128-S130 PolarHBondContact O-N 2.8Å; S130-Q132 VanDerWaalsContact C-N 3.31Å; S130-Q132 PolarHBondContact O-N 2.66Å; S130-N133 PolarHBondContact O-N 2.82Å; S130-D134 PolarHBondContact O-N 3.49Å
131	L	80.1	Confident	72.5	Confident	100 Å²	100	101.8 Å²	101.8	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-34.3	177	-69.8	170.9	0	0	0	112.3	A127 K128 D135 K143	A127-L131 WeakPolarHBondContact O-CG 3.4Å; A127-L131 PolarHBondContact O-N 2.83Å; K128-L131 PolarHBondContact O-N 2.79Å; L131-D135 WeakPolarHBondContact O-CB 3.36Å; L131-D135 PolarHBondContact O-N 3.33Å; L131-D135 VanDerWaalsContact O-N 3.1Å; L131-D135 VanDerWaalsContact O-OD2 3.05Å; L131-K143 PolarHBondContact O-NZ 3.28Å
132	Q	77.1	Confident	71	Confident	83 Å²	83	105.3 Å²	105.3	39%	0.388	56%	0.555	S	S	.	*	H	α-helix	trans	-67.6	-43.1	175.2	-176.9	176.4	-4.9	0	0	112.2	K128 E129 S130 D134 D135 E136	K128-Q132 WeakPolarHBondContact O-CB 3.35Å; K128-Q132 PolarHBondContact O-N 3.06Å; E129-Q132 PolarHBondContact O-N 3.17Å; S130-Q132 VanDerWaalsContact C-N 3.31Å; S130-Q132 PolarHBondContact O-N 2.66Å; Q132-D134 VanDerWaalsContact C-N 3.32Å; Q132-D134 PolarHBondContact O-N 2.82Å; Q132-D135 PolarHBondContact O-N 2.76Å; Q132-E136 HydrophobicContact CG-CG 4.45Å; Q132-E136 PolarHBondContact NE2-OE1 2.75Å; Q132-E136 WeakPolarHBondContact O-CB 3.24Å; Q132-E136 WeakPolarHBondContact O-CG 3.43Å; Q132-E136 PolarHBondContact O-N 2.87Å
133	N	71.8	Confident	69.6	Low	103 Å²	103	103.2 Å²	103.2	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-33.3	178.3	-66.8	-43.7	0	0	0	112.4	E129 S130	E129-N133 VanDerWaalsContact O-CG 3.28Å; E129-N133 PolarHBondContact O-N 2.76Å; E129-N133 PolarHBondContact O-ND2 2.65Å; S130-N133 PolarHBondContact O-N 2.82Å
134	D	67.4	Low	68.4	Low	121 Å²	121	107.7 Å²	107.7	65%	0.647	55%	0.551	S	S	*	*	H	α-helix	trans	-73.4	-31.4	176.6	-70.1	-15.1	0	0	0	111.9	S130 Q132	S130-D134 PolarHBondContact O-N 3.49Å; Q132-D134 VanDerWaalsContact C-N 3.32Å; Q132-D134 PolarHBondContact O-N 2.82Å
135	D	59	Low	67.1	Low	55 Å²	55	110.9 Å²	110.9	29%	0.294	57%	0.566	S	S	.	*	H	α-helix	trans	-85.8	-20.4	177.8	-66.2	-27.4	0	0	0	113.4	L131 Q132 E137 G138 K143	L131-D135 WeakPolarHBondContact O-CB 3.36Å; L131-D135 PolarHBondContact O-N 3.33Å; L131-D135 VanDerWaalsContact O-N 3.1Å; L131-D135 VanDerWaalsContact O-OD2 3.05Å; Q132-D135 PolarHBondContact O-N 2.76Å; D135-E137 PolarHBondContact O-N 3.07Å; D135-G138 CarbonylContact O-C 3.24Å; D135-G138 VanDerWaalsContact O-C 3.24Å; D135-G138 PolarHBondContact O-N 3.23Å; D135-K143 WeakPolarHBondContact OD2-CE 3.47Å; D135-K143 IonicContact OD2-NZ 2.76Å; D135-K143 PolarHBondContact OD2-NZ 3.13Å
136	E	57.5	Low	66	Low	139 Å²	139	112.5 Å²	112.5	65%	0.65	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-12	174.5	-83.7	-178.7	-164.9	0	0	113.3	Q132	Q132-E136 HydrophobicContact CG-CG 4.45Å; Q132-E136 PolarHBondContact NE2-OE1 2.75Å; Q132-E136 WeakPolarHBondContact O-CB 3.24Å; Q132-E136 WeakPolarHBondContact O-CG 3.43Å; Q132-E136 PolarHBondContact O-N 2.87Å
137	E	56.3	Low	65	Low	196 Å²	196	110 Å²	110	92%	0.916	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.3	164.8	-74.3	-155.6	173.5	0	0	114	D135	D135-E137 PolarHBondContact O-N 3.07Å
138	G	54.2	Low	64.5	Low	39 Å²	39	114.5 Å²	114.5	40%	0.402	58%	0.575	S	S	.	*	S	Bend	trans	-156.5	87.1	-172.9	0	0	0	0	0	114.4	D135	D135-G138 CarbonylContact O-C 3.24Å; D135-G138 VanDerWaalsContact O-C 3.24Å; D135-G138 PolarHBondContact O-N 3.23Å
139	E	51.4	Low	64	Low	175 Å²	175	116.8 Å²	116.8	82%	0.818	59%	0.587	S	S	*	*			trans	56.4	125.6	168.2	-63.7	-159.8	165.1	0	0	117.3	I141	E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.24Å
140	N	48.8	Very low	63.6	Low	163 Å²	163	114.9 Å²	114.9	87%	0.872	58%	0.582	S	S	*	*			trans	-50	84.5	168.8	-174.8	3.3	0	0	0	112
141	I	58	Low	63.3	Low	107 Å²	107	118.2 Å²	118.2	55%	0.549	59%	0.591	S	S	.	*			trans	-86.2	121.4	170.6	-66.2	164.9	0	0	0	107	E139 K143	E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.24Å; I141-K143 WeakPolarHBondContact O-CG 3.3Å; I141-K143 PolarHBondContact O-N 3.05Å
142	E	52.8	Low	63.3	Low	184 Å²	184	118 Å²	118	86%	0.86	59%	0.587	S	S	*	*			trans	-44.3	94.4	179.5	-61.1	169.5	168.2	0	0	112.1
143	K	56.5	Low	63.5	Low	68 Å²	68	117.7 Å²	117.7	30%	0.296	59%	0.588	S	S	.	*			trans	-97.9	10.6	179.1	-60.9	-147.7	-176.6	-177.1	0	114.5	L131 D135 I141 D145 D147	L131-K143 PolarHBondContact O-NZ 3.28Å; D135-K143 WeakPolarHBondContact OD2-CE 3.47Å; D135-K143 IonicContact OD2-NZ 2.76Å; D135-K143 PolarHBondContact OD2-NZ 3.13Å; I141-K143 WeakPolarHBondContact O-CG 3.3Å; I141-K143 PolarHBondContact O-N 3.05Å; K143-D145 PolarHBondContact O-N 2.94Å; K143-D147 VanDerWaalsContact O-CG 3.3Å
144	E	56.5	Low	63.9	Low	158 Å²	158	114.8 Å²	114.8	74%	0.738	57%	0.574	S	S	*	*	H	α-helix	trans	-69.6	-33.7	-173.1	-68.9	-176.2	168.6	0	0	112.5
145	D	58.1	Low	64.6	Low	140 Å²	140	114 Å²	114	75%	0.749	57%	0.566	S	S	*	*	H	α-helix	trans	-78.9	-34.1	-173.1	-65.8	-26.2	0	0	0	114.1	K143 D147	K143-D145 PolarHBondContact O-N 2.94Å; D145-D147 VanDerWaalsContact C-N 3.34Å
146	E	59.9	Low	65.9	Low	144 Å²	144	115.4 Å²	115.4	67%	0.673	57%	0.571	S	S	*	*	H	α-helix	trans	-74.2	-29.4	-179.8	-67.8	-172.5	172.9	0	0	112	V150	E146-V150 VanDerWaalsContact O-CG2 3.3Å; E146-V150 WeakPolarHBondContact O-CG2 3.21Å; E146-V150 PolarHBondContact O-N 3.17Å; E146-V150 VanDerWaalsContact O-N 3.17Å
147	D	66.1	Low	67	Low	57 Å²	57	111.3 Å²	111.3	31%	0.305	56%	0.562	S	S	.	*	H	α-helix	trans	-71.6	-41.5	-176.3	-76.7	2.2	0	0	0	112.1	K128 K143 D145 E151	K128-D147 WeakPolarHBondContact CE-OD1 3.35Å; K128-D147 WeakPolarHBondContact CE-OD2 3.24Å; K128-D147 IonicContact NZ-OD1 3.74Å; K128-D147 PolarHBondContact NZ-OD1 3.48Å; K128-D147 IonicContact NZ-OD2 3.02Å; K128-D147 PolarHBondContact NZ-OD2 3.41Å; K143-D147 VanDerWaalsContact O-CG 3.3Å; D145-D147 VanDerWaalsContact C-N 3.34Å; D147-E151 WeakPolarHBondContact O-CB 3.43Å; D147-E151 PolarHBondContact O-N 3.03Å
148	E	74.6	Confident	68.4	Low	141 Å²	141	107.2 Å²	107.2	66%	0.659	55%	0.545	S	S	*	.	H	α-helix	trans	-66.8	-39.9	176.4	-67.3	-169.8	177.7	0	0	112	E151 H152	E148-E151 PolarHBondContact O-N 3.42Å; E148-H152 VanDerWaalsContact O-CB 3.22Å; E148-H152 WeakPolarHBondContact O-CB 3.46Å; E148-H152 PolarHBondContact O-N 2.74Å
149	E	74.5	Confident	70	Confident	127 Å²	127	109.9 Å²	109.9	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-43.3	178.2	-172.6	-179.6	172.9	0	0	111.3	N153	E149-N153 VanDerWaalsContact O-CB 3.3Å; E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 PolarHBondContact O-N 2.75Å; E149-N153 PolarHBondContact O-ND2 3.29Å
150	V	73	Confident	71.5	Confident	56 Å²	56	105.6 Å²	105.6	34%	0.339	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-45.5	177.4	173.2	0	0	0	0	110.7	E146 N153 V154	E146-V150 VanDerWaalsContact O-CG2 3.3Å; E146-V150 WeakPolarHBondContact O-CG2 3.21Å; E146-V150 PolarHBondContact O-N 3.17Å; E146-V150 VanDerWaalsContact O-N 3.17Å; V150-N153 PolarHBondContact O-N 3.4Å; V150-V154 HydrophobicContact CG1-CG2 4.45Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 3.44Å
151	E	76.2	Confident	73.1	Confident	126 Å²	126	100.6 Å²	100.6	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-60.5	-48.2	177.7	-175.1	166.6	-159	0	0	111.3	D147 E148 N153 V154 E155	D147-E151 WeakPolarHBondContact O-CB 3.43Å; D147-E151 PolarHBondContact O-N 3.03Å; E148-E151 PolarHBondContact O-N 3.42Å; E151-N153 VanDerWaalsContact C-N 3.34Å; E151-N153 PolarHBondContact O-N 3.1Å; E151-V154 WeakPolarHBondContact O-CB 3.43Å; E151-V154 PolarHBondContact O-N 3.24Å; E151-V154 VanDerWaalsContact O-N 3.12Å; E151-E155 WeakPolarHBondContact O-CG 3.05Å; E151-E155 PolarHBondContact O-N 3.17Å
152	H	80.3	Confident	74.4	Confident	96 Å²	96	103.7 Å²	103.7	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-40.8	176.1	173.4	-113	0	0	0	112.7	E148 V154 E155 Q156	E148-H152 VanDerWaalsContact O-CB 3.22Å; E148-H152 WeakPolarHBondContact O-CB 3.46Å; E148-H152 PolarHBondContact O-N 2.74Å; H152-V154 VanDerWaalsContact C-N 3.32Å; H152-V154 PolarHBondContact O-N 3.25Å; H152-E155 PolarHBondContact O-N 3.3Å; H152-Q156 PolarHBondContact CE1-NE2 3.44Å; H152-Q156 PolarHBondContact ND1-NE2 3.09Å; H152-Q156 PolarHBondContact NE2-NE2 3.33Å; H152-Q156 WeakPolarHBondContact O-CG 3.49Å; H152-Q156 PolarHBondContact O-N 3.1Å
153	N	80.4	Confident	75.9	Confident	76 Å²	76	98.9 Å²	98.9	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-37.5	175.7	-75.1	-22.4	0	0	0	112	E149 V150 E151 A157	E149-N153 VanDerWaalsContact O-CB 3.3Å; E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 PolarHBondContact O-N 2.75Å; E149-N153 PolarHBondContact O-ND2 3.29Å; V150-N153 PolarHBondContact O-N 3.4Å; E151-N153 VanDerWaalsContact C-N 3.34Å; E151-N153 PolarHBondContact O-N 3.1Å; N153-A157 WeakPolarHBondContact O-CB 3.28Å; N153-A157 PolarHBondContact O-N 2.6Å
154	V	79.9	Confident	76.9	Confident	42 Å²	42	100.4 Å²	100.4	26%	0.255	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-44.7	175.1	172.3	0	0	0	0	110.7	F121 V150 E151 H152 Q156 A157 I158	F121-V154 HydrophobicContact CD2-CG2 3.69Å; F121-V154 HydrophobicContact CE2-CG1 4.33Å; F121-V154 HydrophobicContact CE2-CG2 3.38Å; F121-V154 HydrophobicContact CZ-CG2 4.33Å; V150-V154 HydrophobicContact CG1-CG2 4.45Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 3.44Å; E151-V154 WeakPolarHBondContact O-CB 3.43Å; E151-V154 PolarHBondContact O-N 3.24Å; E151-V154 VanDerWaalsContact O-N 3.12Å; H152-V154 VanDerWaalsContact C-N 3.32Å; H152-V154 PolarHBondContact O-N 3.25Å; V154-Q156 PolarHBondContact O-N 3.05Å; V154-A157 PolarHBondContact O-N 2.81Å; V154-I158 HydrophobicContact CG1-CD1 3.98Å; V154-I158 VanDerWaalsContact O-CG1 3.32Å; V154-I158 WeakPolarHBondContact O-CG1 3.49Å; V154-I158 PolarHBondContact O-N 3.25Å
155	E	83.7	Confident	78.1	Confident	105 Å²	105	94.9 Å²	94.9	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-58.7	-47.4	175.1	-71.3	-172.6	162.2	0	0	111.6	E151 H152 A157 I158 I159	E151-E155 WeakPolarHBondContact O-CG 3.05Å; E151-E155 PolarHBondContact O-N 3.17Å; H152-E155 PolarHBondContact O-N 3.3Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 3.08Å; E155-I158 PolarHBondContact O-N 3.31Å; E155-I159 WeakPolarHBondContact O-CG1 3.48Å; E155-I159 PolarHBondContact O-N 3Å
156	Q	85.2	Confident	79.3	Confident	84 Å²	84	91.8 Å²	91.8	39%	0.393	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-42	175.5	-73.9	-169.4	22.1	0	0	112.2	H152 V154 I158 I159 N160	H152-Q156 PolarHBondContact CE1-NE2 3.44Å; H152-Q156 PolarHBondContact ND1-NE2 3.09Å; H152-Q156 PolarHBondContact NE2-NE2 3.33Å; H152-Q156 WeakPolarHBondContact O-CG 3.49Å; H152-Q156 PolarHBondContact O-N 3.1Å; V154-Q156 PolarHBondContact O-N 3.05Å; Q156-I158 VanDerWaalsContact C-N 3.31Å; Q156-I158 PolarHBondContact O-N 3.12Å; Q156-I159 PolarHBondContact O-N 3.03Å; Q156-N160 WeakPolarHBondContact O-CB 3.41Å; Q156-N160 PolarHBondContact O-N 3.44Å; Q156-N160 PolarHBondContact O-ND2 3.36Å
157	A	80.7	Confident	80.1	Confident	54 Å²	54	90.1 Å²	90.1	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-61.9	-39.4	177	0	0	0	0	0	111.7	N153 V154 E155 N160 A161	N153-A157 WeakPolarHBondContact O-CB 3.28Å; N153-A157 PolarHBondContact O-N 2.6Å; V154-A157 PolarHBondContact O-N 2.81Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 3.08Å; A157-N160 PolarHBondContact O-N 2.83Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.43Å
158	I	85.5	Confident	80.5	Confident	110 Å²	110	90.7 Å²	90.7	56%	0.564	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-44.9	175.6	-68.5	165.7	0	0	0	110.9	V154 E155 Q156 A161 R162	V154-I158 HydrophobicContact CG1-CD1 3.98Å; V154-I158 VanDerWaalsContact O-CG1 3.32Å; V154-I158 WeakPolarHBondContact O-CG1 3.49Å; V154-I158 PolarHBondContact O-N 3.25Å; E155-I158 PolarHBondContact O-N 3.31Å; Q156-I158 VanDerWaalsContact C-N 3.31Å; Q156-I158 PolarHBondContact O-N 3.12Å; I158-A161 PolarHBondContact O-N 2.99Å; I158-R162 WeakPolarHBondContact O-CB 3.33Å; I158-R162 PolarHBondContact O-N 3.33Å
159	I	87.1	Confident	80.7	Confident	95 Å²	95	91.8 Å²	91.8	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-48.4	176.4	-68	165	0	0	0	110.1	E155 Q156 A161 R162 L163	E155-I159 WeakPolarHBondContact O-CG1 3.48Å; E155-I159 PolarHBondContact O-N 3Å; Q156-I159 PolarHBondContact O-N 3.03Å; I159-A161 PolarHBondContact O-N 3.37Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 2.81Å; I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.47Å; I159-L163 WeakPolarHBondContact O-CG 3.38Å; I159-L163 PolarHBondContact O-N 3.1Å
160	N	83.4	Confident	80.5	Confident	84 Å²	84	91.1 Å²	91.1	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-42.2	178.6	-71.9	-24.4	0	0	0	111.7	Q156 A157 R162 L163 N164	Q156-N160 WeakPolarHBondContact O-CB 3.41Å; Q156-N160 PolarHBondContact O-N 3.44Å; Q156-N160 PolarHBondContact O-ND2 3.36Å; A157-N160 PolarHBondContact O-N 2.83Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.91Å; N160-L163 PolarHBondContact O-N 3.03Å; N160-N164 WeakPolarHBondContact O-CB 3.4Å; N160-N164 PolarHBondContact O-N 3.29Å; N160-N164 PolarHBondContact O-ND2 3.05Å; N160-N164 VanDerWaalsContact O-ND2 3.15Å
161	A	82.4	Confident	80.2	Confident	59 Å²	59	92 Å²	92	49%	0.488	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-41	175.1	0	0	0	0	0	111.8	A157 I158 I159 A165	A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.43Å; I158-A161 PolarHBondContact O-N 2.99Å; I159-A161 PolarHBondContact O-N 3.37Å; A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 3.25Å
162	R	85.9	Confident	79.5	Confident	172 Å²	172	92.4 Å²	92.4	65%	0.649	48%	0.477	S	S	*	.	H	α-helix	trans	-64.7	-48.3	176	-178.3	179.4	175.4	164.6	-0.3	111.9	I158 I159 N160 N164 A165 E166	I158-R162 WeakPolarHBondContact O-CB 3.33Å; I158-R162 PolarHBondContact O-N 3.33Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 2.81Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.91Å; R162-N164 VanDerWaalsContact C-N 3.33Å; R162-N164 PolarHBondContact O-N 3.1Å; R162-A165 WeakPolarHBondContact O-CB 3.49Å; R162-A165 PolarHBondContact O-N 2.9Å; R162-E166 IonicContact CZ-OE1 2.66Å; R162-E166 IonicContact NE-OE1 3.82Å; R162-E166 PolarHBondContact NE-OE1 2.75Å; R162-E166 IonicContact NH2-OE1 2.59Å; R162-E166 WeakPolarHBondContact O-CG 3.45Å; R162-E166 PolarHBondContact O-N 2.91Å
163	L	84.5	Confident	78.5	Confident	83 Å²	83	93 Å²	93	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-58.8	-45.2	177.3	-71.4	172.6	0	0	0	111.3	I159 N160 A165 E166 I167	I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.47Å; I159-L163 WeakPolarHBondContact O-CG 3.38Å; I159-L163 PolarHBondContact O-N 3.1Å; N160-L163 PolarHBondContact O-N 3.03Å; L163-A165 VanDerWaalsContact C-N 3.31Å; L163-A165 PolarHBondContact O-N 3.22Å; L163-E166 PolarHBondContact O-N 3.37Å; L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.19Å
164	N	76.8	Confident	77.3	Confident	99 Å²	99	94.6 Å²	94.6	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-38.5	176.7	-72.5	-26.9	0	0	0	112.5	N160 R162 S168	N160-N164 WeakPolarHBondContact O-CB 3.4Å; N160-N164 PolarHBondContact O-N 3.29Å; N160-N164 PolarHBondContact O-ND2 3.05Å; N160-N164 VanDerWaalsContact O-ND2 3.15Å; R162-N164 VanDerWaalsContact C-N 3.33Å; R162-N164 PolarHBondContact O-N 3.1Å; N164-S168 WeakPolarHBondContact O-CB 3.48Å; N164-S168 PolarHBondContact O-N 3.38Å; N164-S168 PolarHBondContact O-OG 3.17Å
165	A	82.2	Confident	75.9	Confident	42 Å²	42	98.7 Å²	98.7	35%	0.347	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-39.2	175.2	0	0	0	0	0	112.2	A161 R162 L163 S168 R169	A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 3.25Å; R162-A165 WeakPolarHBondContact O-CB 3.49Å; R162-A165 PolarHBondContact O-N 2.9Å; L163-A165 VanDerWaalsContact C-N 3.31Å; L163-A165 PolarHBondContact O-N 3.22Å; A165-S168 PolarHBondContact O-N 3.04Å; A165-R169 WeakPolarHBondContact O-CG 3.2Å; A165-R169 PolarHBondContact O-N 2.7Å; A165-R169 VanDerWaalsContact O-N 3.08Å
166	E	82.2	Confident	74	Confident	75 Å²	75	100 Å²	100	35%	0.35	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-44.6	176.2	-74.4	178.3	-169.5	0	0	111.8	R162 L163 S168 R169 L170	R162-E166 IonicContact CZ-OE1 2.66Å; R162-E166 IonicContact NE-OE1 3.82Å; R162-E166 PolarHBondContact NE-OE1 2.75Å; R162-E166 IonicContact NH2-OE1 2.59Å; R162-E166 WeakPolarHBondContact O-CG 3.45Å; R162-E166 PolarHBondContact O-N 2.91Å; L163-E166 PolarHBondContact O-N 3.37Å; E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.25Å; E166-R169 PolarHBondContact O-N 2.89Å; E166-R169 VanDerWaalsContact O-N 3.11Å; E166-L170 PolarHBondContact O-N 3.21Å
167	I	77.5	Confident	72.1	Confident	110 Å²	110	101.5 Å²	101.5	56%	0.564	54%	0.535	S	S	*	.	H	α-helix	trans	-58.8	-44.7	174.7	-67.4	164.2	0	0	0	110.6	L163 R169 L170 S171	L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.19Å; I167-R169 VanDerWaalsContact C-N 3.28Å; I167-R169 PolarHBondContact O-N 3.39Å; I167-L170 PolarHBondContact O-N 2.87Å; I167-S171 PolarHBondContact O-N 3.2Å
168	S	75	Confident	70.4	Confident	69 Å²	69	106.4 Å²	106.4	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-62.9	-33.3	177.5	-61.5	0	0	0	0	112.8	N164 A165 E166	N164-S168 WeakPolarHBondContact O-CB 3.48Å; N164-S168 PolarHBondContact O-N 3.38Å; N164-S168 PolarHBondContact O-OG 3.17Å; A165-S168 PolarHBondContact O-N 3.04Å; E166-S168 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 3.25Å
169	R	78	Confident	68.5	Low	163 Å²	163	105.9 Å²	105.9	62%	0.615	56%	0.556	S	S	*	*	H	α-helix	trans	-74.9	-41.1	174.9	-72.3	172.5	-175.4	162.1	1.4	111.8	A165 E166 I167 R172 N173	A165-R169 WeakPolarHBondContact O-CG 3.2Å; A165-R169 PolarHBondContact O-N 2.7Å; A165-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 PolarHBondContact O-N 2.89Å; E166-R169 VanDerWaalsContact O-N 3.11Å; I167-R169 VanDerWaalsContact C-N 3.28Å; I167-R169 PolarHBondContact O-N 3.39Å; R169-R172 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-N 3.43Å; R169-N173 PolarHBondContact O-ND2 2.91Å
170	L	71.8	Confident	66.5	Low	113 Å²	113	107.3 Å²	107.3	59%	0.592	58%	0.575	S	S	*	*	H	α-helix	trans	-62.6	-44.7	179.6	-119.2	69.2	0	0	0	111.3	E166 I167 R172 N173 T174	E166-L170 PolarHBondContact O-N 3.21Å; I167-L170 PolarHBondContact O-N 2.87Å; L170-R172 PolarHBondContact O-N 2.87Å; L170-N173 PolarHBondContact O-N 2.68Å; L170-T174 PolarHBondContact O-N 2.95Å; L170-T174 PolarHBondContact O-OG1 3.26Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å
171	S	65.8	Low	64.8	Low	74 Å²	74	109.8 Å²	109.8	52%	0.517	59%	0.587	S	S	.	*	H	α-helix	trans	-57.6	-32.9	177.4	-176	0	0	0	0	113	I167 T174	I167-S171 PolarHBondContact O-N 3.2Å; S171-T174 PolarHBondContact O-OG1 2.76Å
172	R	61.3	Low	63	Low	135 Å²	135	114.5 Å²	114.5	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-76.3	-28.1	175.3	-68	177.5	179.4	-178.7	-3.8	113.2	R169 L170	R169-R172 PolarHBondContact O-N 2.86Å; L170-R172 PolarHBondContact O-N 2.87Å
173	N	58.8	Low	60.9	Low	110 Å²	110	118.2 Å²	118.2	59%	0.588	62%	0.617	S	S	*	*	H	α-helix	trans	-88.4	-26.6	-176.7	-68.7	-16.2	0	0	0	112.7	R169 L170 E175 Q176	R169-N173 PolarHBondContact O-N 3.43Å; R169-N173 PolarHBondContact O-ND2 2.91Å; L170-N173 PolarHBondContact O-N 2.68Å; N173-E175 PolarHBondContact O-N 3.15Å; N173-Q176 PolarHBondContact O-N 3.39Å
174	T	55.8	Low	59.2	Low	109 Å²	109	120 Å²	120	67%	0.669	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-8.2	177.6	46.5	0	0	0	0	114.2	L170 S171 Q176	L170-T174 PolarHBondContact O-N 2.95Å; L170-T174 PolarHBondContact O-OG1 3.26Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å; S171-T174 PolarHBondContact O-OG1 2.76Å; T174-Q176 VanDerWaalsContact C-N 3.32Å
175	E	51.1	Low	57.8	Low	128 Å²	128	122.2 Å²	122.2	60%	0.598	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-0.7	171.5	-65	-172.2	162.6	0	0	113.3	N173	N173-E175 PolarHBondContact O-N 3.15Å
176	Q	42.9	Very low	56.2	Low	133 Å²	133	128.3 Å²	128.3	62%	0.621	66%	0.661	S	S	*	*	S	Bend	trans	-86	129.2	168.6	-59.3	-58.8	-48.4	0	0	109.3	N173 T174 I178	N173-Q176 PolarHBondContact O-N 3.39Å; T174-Q176 VanDerWaalsContact C-N 3.32Å; Q176-I178 PolarHBondContact O-N 2.8Å; Q176-I178 VanDerWaalsContact O-N 3.1Å
177	P	44.9	Very low	54.7	Low	114 Å²	114	130.4 Å²	130.4	74%	0.74	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59	121.2	177.5	23.4	-31	0	0	0	108.9	P179	P177-P179 VanDerWaalsContact O-CD 3.29Å; P177-P179 WeakPolarHBondContact O-CD 3.42Å; P177-P179 VanDerWaalsContact O-N 3.1Å
178	I	46.1	Very low	53.6	Low	158 Å²	158	130.2 Å²	130.2	81%	0.81	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-54.2	116.7	173.5	-58.9	168.7	0	0	0	107	Q176 S180	Q176-I178 PolarHBondContact O-N 2.8Å; Q176-I178 VanDerWaalsContact O-N 3.1Å; I178-S180 PolarHBondContact O-N 3.31Å; I178-S180 VanDerWaalsContact O-N 3.13Å
179	P	46	Very low	52.5	Low	98 Å²	98	137.6 Å²	137.6	64%	0.636	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.5	120.9	174.5	25.6	-31.3	0	0	0	108	P177 I181	P177-P179 VanDerWaalsContact O-CD 3.29Å; P177-P179 WeakPolarHBondContact O-CD 3.42Å; P177-P179 VanDerWaalsContact O-N 3.1Å; P179-I181 HydrophobicContact CB-CD1 4.49Å; P179-I181 PolarHBondContact O-N 3.16Å
180	S	44.9	Very low	51.5	Low	126 Å²	126	135.1 Å²	135.1	88%	0.881	72%	0.717	S	S	*	*			trans	-67.7	74.7	175.9	40.4	0	0	0	0	110.5	I178	I178-S180 PolarHBondContact O-N 3.31Å; I178-S180 VanDerWaalsContact O-N 3.13Å
181	I	48	Very low	50.6	Low	136 Å²	136	137.7 Å²	137.7	70%	0.697	73%	0.726	S	S	*	*			trans	-127.9	124.3	176.6	-63.9	177.6	0	0	0	107.7	P179	P179-I181 HydrophobicContact CB-CD1 4.49Å; P179-I181 PolarHBondContact O-N 3.16Å
182	L	44.5	Very low	49.8	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	76%	0.764	S	S	*	*			trans	92.4	57.5	-179.2	-57.4	156.1	0	0	0	116.7
183	R	39.9	Very low	49.2	Very low	250 Å²	250	146.8 Å²	146.8	94%	0.943	78%	0.777	S	S	*	*			trans	-89.4	89.3	139.9	176.8	161.8	-105.9	-145.7	-5.2	107.7
184	N	49.5	Very low	48.7	Very low	120 Å²	120	148.7 Å²	148.7	64%	0.642	79%	0.787	S	S	*	*			trans	-143.6	123.8	170.7	-137.6	14.3	0	0	0	111.6
185	Q	48.7	Very low	48.3	Very low	146 Å²	146	150.9 Å²	150.9	68%	0.682	79%	0.793	S	S	*	*			trans	57.6	94.3	154.6	-46.5	-54.3	-40.4	0	0	118.2
186	N	48.3	Very low	48.2	Very low	170 Å²	170	152.2 Å²	152.2	91%	0.909	81%	0.805	S	S	*	*			trans	-155.6	70.6	139.5	-95.7	-16.1	0	0	0	108.7
187	S	49.2	Very low	48.5	Very low	119 Å²	119	153.4 Å²	153.4	83%	0.832	82%	0.816	S	S	*	*			trans	-101	94.2	156.7	-159.3	0	0	0	0	106.7
188	S	55	Low	48.7	Very low	107 Å²	107	156.1 Å²	156.1	75%	0.748	82%	0.821	S	S	*	*			trans	-143.3	94.4	168.5	-83.5	0	0	0	0	108.7
189	R	51.4	Low	48.9	Very low	224 Å²	224	155.9 Å²	155.9	85%	0.845	82%	0.822	S	S	*	*				58.4	99.7	115.9	-158.3	177.7	179	-171.2	-1.3	117.5
190	S	57.9	Low	49.2	Very low	111 Å²	111	160.4 Å²	160.4	78%	0.776	84%	0.836	S	S	*	*			trans	-163.5	97.7	145.2	57	0	0	0	0	108.1
191	H	52.7	Low	49.5	Very low	166 Å²	166	163.3 Å²	163.3	77%	0.769	83%	0.833	S	S	*	*				42.7	94.6	97.2	-77.7	-14.1	0	0	0	115.3
192	L	49	Very low	49.6	Very low	253 Å²	253	165.7 Å²	165.7	100%	1.325	85%	0.845	S	S	*	*				-152.2	0	121.3	-107	126.3	0	0	0	108.6

Retrieved 192 of 192 residues in 37.1 ms (Link to these results)

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