GPSB_STAA8 Loading...

Cell cycle adapter protein GpsB

Divisome component that associates with the complex late in its assembly, after the Z-ring is formed, and is dependent on DivIC and PBP2B for its recruitment to the divisome. Together with EzrA, is a key component of the system that regulates PBP1 localization during cell cycle progression. Its main role could be the removal of PBP1 from the cell pole after pole maturation is completed. Also contributes to the recruitment of PBP1 to the division complex. Not essential for septum formation.

AlphaFold DB , UniProt , Accession Q2FYI5, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene gpsB, Length 114 aa.

						>GPSB_STAA8|Q2FYI5|gpsB
MSDVSLKLSAKDIYEKDFEKTMARGYRREEVDAFLDDIIADYQKMADMNNEVVKLSEENHKLKKELEELRLRVATSRPQDNKSFSSNNTTTNTSSNNVDILKRISNLEKAVFGK
					

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(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	46	Very low	77.3	Confident	239 Å²	239	104.4 Å²	104.4	100%	1.177	59%	0.586	S	S	*	*				0	125.7	0	-67.6	-170.9	175.5	0	0	105.7	D3	M1-D3 PolarHBondContact O-N 2.82Å
2	S	57	Low	78.5	Confident	98 Å²	98	101.8 Å²	101.8	69%	0.685	57%	0.57	S	S	*	*			trans	-52.3	130.8	167.8	41.7	0	0	0	0	107.5	V4	S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 WeakPolarHBondContact O-CG2 3.25Å; S2-V4 PolarHBondContact O-N 3.49Å
3	D	62.4	Low	79.5	Confident	161 Å²	161	98.8 Å²	98.8	86%	0.861	55%	0.551	S	S	*	*			trans	-61.6	96	172.3	-94.9	-39.5	0	0	0	107.8	M1 S5	M1-D3 PolarHBondContact O-N 2.82Å; D3-S5 PolarHBondContact O-N 3.45Å
4	V	65.8	Low	80.3	Confident	60 Å²	60	106.3 Å²	106.3	36%	0.364	57%	0.569	S	S	.	*			trans	-77.9	77.2	177.6	179.1	0	0	0	0	106.5	S2 K44 M48	S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 WeakPolarHBondContact O-CG2 3.25Å; S2-V4 PolarHBondContact O-N 3.49Å; V4-K44 HydrophobicContact CG1-CD 3.96Å; V4-K44 HydrophobicContact CG1-CG 4.07Å; V4-M48 HydrophobicContact CG1-SD 4.13Å
5	S	82.7	Confident	81.1	Confident	91 Å²	91	106.7 Å²	106.7	64%	0.636	57%	0.566	S	S	*	*			trans	-81.2	121.3	170.2	174.7	0	0	0	0	109	D3 K44	D3-S5 PolarHBondContact O-N 3.45Å; S5-K44 PolarHBondContact O-NZ 3.45Å
6	L	89.3	Confident	81.8	Confident	64 Å²	64	104.4 Å²	104.4	34%	0.335	55%	0.55	S	S	.	.			trans	-75.9	146.8	166.3	-60.7	174.1	0	0	0	108.5	D41 K44 M45	L6-D41 HydrophobicContact CD2-CB 4.06Å; L6-K44 HydrophobicContact CD2-CB 4.5Å; L6-K44 HydrophobicContact CD2-CD 4.22Å; L6-M45 HydrophobicContact CD1-CG 4.11Å; L6-M45 HydrophobicContact CD1-SD 3.98Å; L6-M45 HydrophobicContact CD2-CG 3.91Å
7	K	86.8	Confident	82.4	Confident	137 Å²	137	105.6 Å²	105.6	60%	0.596	56%	0.557	S	S	*	*	S	Bend	trans	-71.9	-39	177.3	-70.5	176.8	170.5	179.7	0	111.5	D37 D41	K7-D37 WeakPolarHBondContact CD-OD1 3.44Å; K7-D37 IonicContact NZ-OD1 2.69Å; K7-D37 PolarHBondContact NZ-OD1 3.47Å; K7-D41 WeakPolarHBondContact CA-OD2 3.33Å; K7-D41 WeakPolarHBondContact CB-OD2 3.49Å; K7-D41 VanDerWaalsContact N-CG 3.35Å; K7-D41 PolarHBondContact N-OD1 2.97Å; K7-D41 PolarHBondContact N-OD2 3.15Å
8	L	91.2	Very high	82.9	Confident	31 Å²	31	102 Å²	102	16%	0.162	54%	0.535	C	S	.	.			trans	-120.7	136	-175.3	-60.8	171.9	0	0	0	110.2	D12 I13 F34 D37 I38 D41	L8-D12 HydrophobicContact CD2-CB 4.08Å; L8-I13 HydrophobicContact CB-CG1 4.18Å; L8-I13 HydrophobicContact CD1-CG1 4.41Å; L8-F34 HydrophobicContact CD1-CD2 4.07Å; L8-F34 HydrophobicContact CD1-CE2 3.52Å; L8-F34 HydrophobicContact CD1-CZ 3.96Å; L8-F34 HydrophobicContact CD2-CE2 3.83Å; L8-F34 HydrophobicContact CG-CE2 4.34Å; L8-D37 HydrophobicContact CD1-CB 3.87Å; L8-I38 HydrophobicContact CD1-CG1 3.76Å; L8-D41 PolarHBondContact N-OD2 3.25Å
9	S	89.8	Confident	83.2	Confident	52 Å²	52	102.2 Å²	102.2	36%	0.364	53%	0.533	S	S	.	.			trans	-86.5	163	163	74.3	0	0	0	0	110.6	K11 D12 I13	S9-K11 PolarHBondContact O-N 3.31Å; S9-K11 VanDerWaalsContact O-N 3.15Å; S9-K11 PolarHBondContact OG-N 3.45Å; S9-D12 WeakPolarHBondContact CA-OD2 3.3Å; S9-D12 VanDerWaalsContact CB-OD2 3.23Å; S9-D12 WeakPolarHBondContact CB-OD2 3.24Å; S9-D12 PolarHBondContact N-OD2 3.48Å; S9-D12 PolarHBondContact O-N 2.84Å; S9-D12 PolarHBondContact OG-N 2.93Å; S9-D12 VanDerWaalsContact OG-N 3.16Å; S9-D12 PolarHBondContact OG-OD2 3.47Å; S9-I13 WeakPolarHBondContact O-CG1 3.35Å; S9-I13 PolarHBondContact O-N 3.27Å
10	A	88.8	Confident	83.5	Confident	85 Å²	85	104.8 Å²	104.8	70%	0.702	54%	0.54	S	S	*	.	H	α-helix	trans	-56.4	-30.4	171.6	0	0	0	0	0	112.5	Y14	A10-Y14 WeakPolarHBondContact O-CB 3.34Å; A10-Y14 PolarHBondContact O-N 2.8Å; A10-Y14 VanDerWaalsContact O-N 3.1Å
11	K	90.8	Very high	83.7	Confident	130 Å²	130	102.2 Å²	102.2	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-69.1	-43.2	175.7	-171.7	-176.8	174.8	-164.7	0	111.1	S9 I13 Y14 E15	S9-K11 PolarHBondContact O-N 3.31Å; S9-K11 VanDerWaalsContact O-N 3.15Å; S9-K11 PolarHBondContact OG-N 3.45Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 3Å; K11-Y14 PolarHBondContact O-N 3.07Å; K11-Y14 VanDerWaalsContact O-N 3.16Å; K11-E15 WeakPolarHBondContact CE-OE1 3.37Å; K11-E15 WeakPolarHBondContact CE-OE2 3.21Å; K11-E15 HydrophobicContact CG-CG 4.24Å; K11-E15 IonicContact NZ-OE1 2.68Å; K11-E15 IonicContact NZ-OE2 3.06Å; K11-E15 WeakPolarHBondContact O-CB 3.38Å; K11-E15 WeakPolarHBondContact O-CG 3.35Å; K11-E15 PolarHBondContact O-N 3.41Å
12	D	91.5	Very high	85.6	Confident	74 Å²	74	100.7 Å²	100.7	40%	0.396	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-36.6	177.5	-54.6	-47.4	0	0	0	111.4	L8 S9 K16	L8-D12 HydrophobicContact CD2-CB 4.08Å; S9-D12 WeakPolarHBondContact CA-OD2 3.3Å; S9-D12 VanDerWaalsContact CB-OD2 3.23Å; S9-D12 WeakPolarHBondContact CB-OD2 3.24Å; S9-D12 PolarHBondContact N-OD2 3.48Å; S9-D12 PolarHBondContact O-N 2.84Å; S9-D12 PolarHBondContact OG-N 2.93Å; S9-D12 VanDerWaalsContact OG-N 3.16Å; S9-D12 PolarHBondContact OG-OD2 3.47Å; D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 PolarHBondContact O-N 2.96Å; D12-K16 VanDerWaalsContact O-N 3.11Å
13	I	91.7	Very high	87	Confident	62 Å²	62	99.4 Å²	99.4	32%	0.318	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-43.9	173.3	-61.4	171.1	0	0	0	111.6	L8 S9 K11 F34 I38	L8-I13 HydrophobicContact CB-CG1 4.18Å; L8-I13 HydrophobicContact CD1-CG1 4.41Å; S9-I13 WeakPolarHBondContact O-CG1 3.35Å; S9-I13 PolarHBondContact O-N 3.27Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 3Å; I13-F34 HydrophobicContact CG1-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE1 4.42Å; I13-I38 HydrophobicContact CD1-CD1 4.27Å; I13-I38 HydrophobicContact CD1-CG1 4.01Å; I13-I38 HydrophobicContact CG1-CD1 4.1Å; I13-I38 HydrophobicContact CG1-CG1 4.08Å; I13-I38 HydrophobicContact CG2-CD1 4Å
14	Y	90.2	Very high	88.2	Confident	204 Å²	204	104 Å²	104	80%	0.8	52%	0.522	S	S	*	.	H	α-helix	trans	-73.1	-38.7	-178.2	180	-101.9	0	0	0	113.2	A10 K11	A10-Y14 WeakPolarHBondContact O-CB 3.34Å; A10-Y14 PolarHBondContact O-N 2.8Å; A10-Y14 VanDerWaalsContact O-N 3.1Å; K11-Y14 PolarHBondContact O-N 3.07Å; K11-Y14 VanDerWaalsContact O-N 3.16Å
15	E	92.8	Very high	89.4	Confident	113 Å²	113	102.8 Å²	102.8	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-88.3	-3.5	-176	-66.7	-176.9	172.8	0	0	113.4	K11 D17	K11-E15 WeakPolarHBondContact CE-OE1 3.37Å; K11-E15 WeakPolarHBondContact CE-OE2 3.21Å; K11-E15 HydrophobicContact CG-CG 4.24Å; K11-E15 IonicContact NZ-OE1 2.68Å; K11-E15 IonicContact NZ-OE2 3.06Å; K11-E15 WeakPolarHBondContact O-CB 3.38Å; K11-E15 WeakPolarHBondContact O-CG 3.35Å; K11-E15 PolarHBondContact O-N 3.41Å; E15-D17 PolarHBondContact O-N 3.39Å
16	K	92.6	Very high	89.8	Confident	70 Å²	70	104.5 Å²	104.5	30%	0.304	52%	0.515	S	S	.	.			trans	-58.6	112.3	177.7	179.2	70.4	-164.7	-151.1	0	110.3	D12 F18 E30 F34	D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 PolarHBondContact O-N 2.96Å; D12-K16 VanDerWaalsContact O-N 3.11Å; K16-F18 HydrophobicContact CB-CE2 4.46Å; K16-F18 HydrophobicContact CG-CD1 4.33Å; K16-F18 HydrophobicContact CG-CD2 4.27Å; K16-F18 HydrophobicContact CG-CE1 3.87Å; K16-F18 HydrophobicContact CG-CE2 3.82Å; K16-F18 HydrophobicContact CG-CZ 3.61Å; K16-E30 WeakPolarHBondContact CE-OE1 3.05Å; K16-E30 IonicContact NZ-OE1 3.78Å; K16-E30 PolarHBondContact NZ-OE1 2.83Å; K16-F34 HydrophobicContact CB-CE1 3.82Å; K16-F34 HydrophobicContact CB-CE2 4.22Å; K16-F34 HydrophobicContact CB-CZ 3.58Å; K16-F34 HydrophobicContact CD-CD2 4.02Å; K16-F34 HydrophobicContact CD-CE2 3.81Å; K16-F34 HydrophobicContact CD-CG 4.47Å; K16-F34 HydrophobicContact CD-CZ 4.06Å; K16-F34 HydrophobicContact CG-CD1 4.11Å; K16-F34 HydrophobicContact CG-CD2 4.22Å; K16-F34 HydrophobicContact CG-CE1 3.77Å; K16-F34 HydrophobicContact CG-CE2 3.94Å; K16-F34 HydrophobicContact CG-CG 4.28Å; K16-F34 HydrophobicContact CG-CZ 3.67Å
17	D	90.6	Very high	89.9	Confident	125 Å²	125	106.8 Å²	106.8	67%	0.668	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-92	128.3	168.4	-163.6	16.7	0	0	0	109.2	E15	E15-D17 PolarHBondContact O-N 3.39Å
18	F	91.8	Very high	90.2	Very high	40 Å²	40	109.8 Å²	109.8	18%	0.175	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-100.2	143.8	-179.7	-68	-80	0	0	0	110.1	K16 K20 Y26 E30 V31 F34	K16-F18 HydrophobicContact CB-CE2 4.46Å; K16-F18 HydrophobicContact CG-CD1 4.33Å; K16-F18 HydrophobicContact CG-CD2 4.27Å; K16-F18 HydrophobicContact CG-CE1 3.87Å; K16-F18 HydrophobicContact CG-CE2 3.82Å; K16-F18 HydrophobicContact CG-CZ 3.61Å; F18-K20 PolarHBondContact O-N 3.49Å; F18-Y26 HydrophobicContact CB-CD1 3.38Å; F18-Y26 HydrophobicContact CB-CE1 3.94Å; F18-Y26 HydrophobicContact CB-CG 3.83Å; F18-Y26 HydrophobicContact CG-CD1 4.49Å; F18-Y26 WeakPolarHBondContact O-CD1 3.43Å; F18-E30 HydrophobicContact CD1-CB 4.49Å; F18-E30 HydrophobicContact CD1-CG 4.13Å; F18-V31 HydrophobicContact CD1-CB 4.45Å; F18-V31 HydrophobicContact CD1-CG2 3.57Å; F18-V31 HydrophobicContact CE1-CB 4.18Å; F18-V31 HydrophobicContact CE1-CG2 3.72Å; F18-V31 HydrophobicContact CG-CG2 3.99Å; F18-V31 HydrophobicContact CZ-CG2 4.24Å; F18-F34 HydrophobicContact CE1-CB 3.9Å; F18-F34 HydrophobicContact CE1-CD1 4.06Å; F18-F34 HydrophobicContact CE1-CG 4.13Å; F18-F34 HydrophobicContact CZ-CB 4.25Å; F18-F34 AromaticContact CZ-CD1 3.56Å; F18-F34 HydrophobicContact CZ-CD1 3.56Å; F18-F34 HydrophobicContact CZ-CE1 4.13Å; F18-F34 HydrophobicContact CZ-CG 4.1Å
19	E	89.2	Confident	90.3	Very high	105 Å²	105	115.1 Å²	115.1	49%	0.491	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-63.8	125.7	177.1	-67.8	-170.4	-163.2	0	0	110.9	Y26 R27 E30	E19-Y26 WeakPolarHBondContact O-CA 3.35Å; E19-R27 HydrophobicContact CB-CG 4.12Å; E19-R27 PolarHBondContact O-N 3.26Å; E19-R27 IonicContact OE2-CZ 2.86Å; E19-R27 IonicContact OE2-NE 2.66Å; E19-R27 PolarHBondContact OE2-NE 2.8Å; E19-R27 IonicContact OE2-NH2 3.91Å; E19-R27 PolarHBondContact OE2-NH2 2.95Å; E19-E30 PolarHBondContact N-OE2 3.26Å
20	K	89.4	Confident	90.4	Very high	155 Å²	155	114.7 Å²	114.7	67%	0.674	54%	0.543	S	S	*	.	B	Isolated β-bridge	trans	-75.7	135.8	177.6	-65.9	177	-174.5	170.6	0	110.1	F18 G25 Y26	F18-K20 PolarHBondContact O-N 3.49Å; K20-G25 WeakPolarHBondContact CA-O 3.12Å; K20-Y26 HydrophobicContact CG-CD1 4.24Å; K20-Y26 HydrophobicContact CG-CE1 4.05Å
21	T	87.6	Confident	90.7	Very high	51 Å²	51	112.6 Å²	112.6	31%	0.313	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-78.8	162.8	173.1	48	0	0	0	0	111.4	A23 G25 R27	T21-A23 CarbonylContact C-O 3.19Å; T21-A23 WeakPolarHBondContact CB-O 3.3Å; T21-A23 CarbonylContact O-C 3.6Å; T21-A23 PolarHBondContact O-N 2.93Å; T21-A23 PolarHBondContact OG1-O 3.02Å; T21-G25 PolarHBondContact N-O 2.93Å; T21-G25 VanDerWaalsContact OG1-C 3.3Å; T21-G25 PolarHBondContact OG1-O 3.48Å; T21-R27 HydrophobicContact CG2-CB 4.46Å; T21-R27 HydrophobicContact CG2-CG 3.83Å
22	M	85.3	Confident	90.9	Very high	206 Å²	206	111 Å²	111	100%	1.015	52%	0.519	S	S	*	.	S	Bend	trans	-60.5	-33.3	173.6	-66.7	-70	-80.5	0	0	111.9
23	A	87.5	Confident	91	Very high	71 Å²	71	110 Å²	110	59%	0.587	52%	0.521	S	S	*	.	S	Bend	trans	-82.5	150.7	163.6	0	0	0	0	0	109.6	T21 G25	T21-A23 CarbonylContact C-O 3.19Å; T21-A23 WeakPolarHBondContact CB-O 3.3Å; T21-A23 CarbonylContact O-C 3.6Å; T21-A23 PolarHBondContact O-N 2.93Å; T21-A23 PolarHBondContact OG1-O 3.02Å; A23-G25 PolarHBondContact O-N 3.33Å
24	R	86.7	Confident	91.2	Very high	259 Å²	259	108 Å²	108	98%	0.977	51%	0.51	S	S	*	.	S	Bend	trans	-50.1	112.2	173.1	179.1	179.4	175.7	152.7	-0.5	110.2
25	G	91.1	Very high	91.4	Very high	33 Å²	33	102.2 Å²	102.2	34%	0.34	49%	0.493	S	S	.	.	S	Bend	trans	153.6	-174.5	-178.1	0	0	0	0	0	113	K20 T21 A23	K20-G25 WeakPolarHBondContact CA-O 3.12Å; T21-G25 PolarHBondContact N-O 2.93Å; T21-G25 VanDerWaalsContact OG1-C 3.3Å; T21-G25 PolarHBondContact OG1-O 3.48Å; A23-G25 PolarHBondContact O-N 3.33Å
26	Y	92.1	Very high	91.6	Very high	128 Å²	128	101.4 Å²	101.4	50%	0.502	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-116.9	155.6	176.3	-61.5	-70.1	0	0	0	110	F18 E19 K20 R28	F18-Y26 HydrophobicContact CB-CD1 3.38Å; F18-Y26 HydrophobicContact CB-CE1 3.94Å; F18-Y26 HydrophobicContact CB-CG 3.83Å; F18-Y26 HydrophobicContact CG-CD1 4.49Å; F18-Y26 WeakPolarHBondContact O-CD1 3.43Å; E19-Y26 WeakPolarHBondContact O-CA 3.35Å; K20-Y26 HydrophobicContact CG-CD1 4.24Å; K20-Y26 HydrophobicContact CG-CE1 4.05Å; Y26-R28 PolarHBondContact O-N 3.14Å
27	R	91.3	Very high	91.7	Very high	112 Å²	112	100.7 Å²	100.7	42%	0.423	49%	0.491	S	S	.	.			trans	-63	121.4	174.2	-65.8	-168.5	-153.1	-92.3	3.3	109.7	E19 T21 E29 E30 V31	E19-R27 HydrophobicContact CB-CG 4.12Å; E19-R27 PolarHBondContact O-N 3.26Å; E19-R27 IonicContact OE2-CZ 2.86Å; E19-R27 IonicContact OE2-NE 2.66Å; E19-R27 PolarHBondContact OE2-NE 2.8Å; E19-R27 IonicContact OE2-NH2 3.91Å; E19-R27 PolarHBondContact OE2-NH2 2.95Å; T21-R27 HydrophobicContact CG2-CB 4.46Å; T21-R27 HydrophobicContact CG2-CG 3.83Å; R27-E29 VanDerWaalsContact C-N 3.28Å; R27-E29 PolarHBondContact O-N 3.24Å; R27-E30 HydrophobicContact CB-CB 4.18Å; R27-E30 PolarHBondContact O-N 3.48Å; R27-V31 WeakPolarHBondContact O-CG2 3.48Å; R27-V31 PolarHBondContact O-N 3.03Å
28	R	91.5	Very high	92	Very high	200 Å²	200	95.9 Å²	95.9	76%	0.755	47%	0.465	S	S	*	.	H	α-helix	trans	-64.2	-39.3	-175.6	-171.9	-174.9	-62.7	156.1	1.1	110.9	Y26 E30 V31 D32	Y26-R28 PolarHBondContact O-N 3.14Å; R28-E30 VanDerWaalsContact C-N 3.32Å; R28-E30 PolarHBondContact O-N 3.42Å; R28-V31 PolarHBondContact O-N 3.46Å; R28-D32 WeakPolarHBondContact O-CB 3.44Å; R28-D32 PolarHBondContact O-N 3.22Å
29	E	93.3	Very high	92.1	Very high	142 Å²	142	98.1 Å²	98.1	66%	0.664	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-37.5	-177.3	-57.3	75	-162.9	0	0	111.6	R27 A33	R27-E29 VanDerWaalsContact C-N 3.28Å; R27-E29 PolarHBondContact O-N 3.24Å; E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 3.33Å; E29-A33 VanDerWaalsContact O-N 3.13Å
30	E	93.6	Very high	92.4	Very high	44 Å²	44	95 Å²	95	21%	0.206	47%	0.471	C	S	.	.	H	α-helix	trans	-71	-41.7	177.2	-167	-167.6	170.8	0	0	111.6	K16 F18 E19 R27 R28 F34	K16-E30 WeakPolarHBondContact CE-OE1 3.05Å; K16-E30 IonicContact NZ-OE1 3.78Å; K16-E30 PolarHBondContact NZ-OE1 2.83Å; F18-E30 HydrophobicContact CD1-CB 4.49Å; F18-E30 HydrophobicContact CD1-CG 4.13Å; E19-E30 PolarHBondContact N-OE2 3.26Å; R27-E30 HydrophobicContact CB-CB 4.18Å; R27-E30 PolarHBondContact O-N 3.48Å; R28-E30 VanDerWaalsContact C-N 3.32Å; R28-E30 PolarHBondContact O-N 3.42Å; E30-F34 WeakPolarHBondContact O-CB 3.25Å; E30-F34 PolarHBondContact O-N 3.46Å
31	V	93.9	Very high	92.6	Very high	41 Å²	41	88.2 Å²	88.2	25%	0.248	44%	0.441	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176.9	177.6	0	0	0	0	110.5	F18 R27 R28 F34 L35	F18-V31 HydrophobicContact CD1-CB 4.45Å; F18-V31 HydrophobicContact CD1-CG2 3.57Å; F18-V31 HydrophobicContact CE1-CB 4.18Å; F18-V31 HydrophobicContact CE1-CG2 3.72Å; F18-V31 HydrophobicContact CG-CG2 3.99Å; F18-V31 HydrophobicContact CZ-CG2 4.24Å; R27-V31 WeakPolarHBondContact O-CG2 3.48Å; R27-V31 PolarHBondContact O-N 3.03Å; R28-V31 PolarHBondContact O-N 3.46Å; V31-F34 PolarHBondContact O-N 3.02Å; V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.3Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 3.44Å
32	D	95.3	Very high	93	Very high	97 Å²	97	92.6 Å²	92.6	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-49.9	179.7	-157.5	48.5	0	0	0	111.4	R28 F34 L35 D36	R28-D32 WeakPolarHBondContact O-CB 3.44Å; R28-D32 PolarHBondContact O-N 3.22Å; D32-F34 VanDerWaalsContact C-N 3.26Å; D32-F34 PolarHBondContact O-N 2.77Å; D32-L35 PolarHBondContact O-N 3Å; D32-L35 VanDerWaalsContact O-N 3.1Å; D32-D36 PolarHBondContact O-N 2.95Å
33	A	94.6	Very high	93.4	Very high	53 Å²	53	88.6 Å²	88.6	44%	0.438	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-36.2	176.4	0	0	0	0	0	112.8	E29 D36 D37	E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 3.33Å; E29-A33 VanDerWaalsContact O-N 3.13Å; A33-D36 PolarHBondContact O-N 3.4Å; A33-D37 PolarHBondContact O-N 2.67Å
34	F	95.2	Very high	93.7	Very high	19 Å²	19	88.8 Å²	88.8	8%	0.083	42%	0.42	C	S	.	.	H	α-helix	trans	-70	-38.7	175.9	-169.8	-114.8	0	0	0	112.6	L8 I13 K16 F18 E30 V31 D32 D36 D37 I38	L8-F34 HydrophobicContact CD1-CD2 4.07Å; L8-F34 HydrophobicContact CD1-CE2 3.52Å; L8-F34 HydrophobicContact CD1-CZ 3.96Å; L8-F34 HydrophobicContact CD2-CE2 3.83Å; L8-F34 HydrophobicContact CG-CE2 4.34Å; I13-F34 HydrophobicContact CG1-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE1 4.42Å; K16-F34 HydrophobicContact CB-CE1 3.82Å; K16-F34 HydrophobicContact CB-CE2 4.22Å; K16-F34 HydrophobicContact CB-CZ 3.58Å; K16-F34 HydrophobicContact CD-CD2 4.02Å; K16-F34 HydrophobicContact CD-CE2 3.81Å; K16-F34 HydrophobicContact CD-CG 4.47Å; K16-F34 HydrophobicContact CD-CZ 4.06Å; K16-F34 HydrophobicContact CG-CD1 4.11Å; K16-F34 HydrophobicContact CG-CD2 4.22Å; K16-F34 HydrophobicContact CG-CE1 3.77Å; K16-F34 HydrophobicContact CG-CE2 3.94Å; K16-F34 HydrophobicContact CG-CG 4.28Å; K16-F34 HydrophobicContact CG-CZ 3.67Å; F18-F34 HydrophobicContact CE1-CB 3.9Å; F18-F34 HydrophobicContact CE1-CD1 4.06Å; F18-F34 HydrophobicContact CE1-CG 4.13Å; F18-F34 HydrophobicContact CZ-CB 4.25Å; F18-F34 AromaticContact CZ-CD1 3.56Å; F18-F34 HydrophobicContact CZ-CD1 3.56Å; F18-F34 HydrophobicContact CZ-CE1 4.13Å; F18-F34 HydrophobicContact CZ-CG 4.1Å; E30-F34 WeakPolarHBondContact O-CB 3.25Å; E30-F34 PolarHBondContact O-N 3.46Å; V31-F34 PolarHBondContact O-N 3.02Å; D32-F34 VanDerWaalsContact C-N 3.26Å; D32-F34 PolarHBondContact O-N 2.77Å; F34-D36 VanDerWaalsContact C-N 3.32Å; F34-D37 PolarHBondContact O-N 2.81Å; F34-I38 HydrophobicContact CD1-CD1 3.66Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å; F34-I38 HydrophobicContact CE1-CD1 3.53Å; F34-I38 HydrophobicContact CE1-CG1 4.34Å; F34-I38 HydrophobicContact CZ-CD1 4.25Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 2.93Å
35	L	95.3	Very high	94	Very high	83 Å²	83	79.5 Å²	79.5	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-36.6	174.8	-69.2	175.6	0	0	0	111.4	V31 D32 D37 I38 I39	V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.3Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 3.44Å; D32-L35 PolarHBondContact O-N 3Å; D32-L35 VanDerWaalsContact O-N 3.1Å; L35-D37 VanDerWaalsContact C-N 3.35Å; L35-D37 PolarHBondContact O-N 2.91Å; L35-I38 HydrophobicContact CD2-CD1 4.38Å; L35-I38 PolarHBondContact O-N 3.21Å; L35-I39 WeakPolarHBondContact O-CB 3.33Å; L35-I39 WeakPolarHBondContact O-CD1 3.36Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.45Å
36	D	96.3	Very high	94.1	Very high	96 Å²	96	80.3 Å²	80.3	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-44	174	-75.9	-23.8	0	0	0	112	D32 A33 F34 I39 A40	D32-D36 PolarHBondContact O-N 2.95Å; A33-D36 PolarHBondContact O-N 3.4Å; F34-D36 VanDerWaalsContact C-N 3.32Å; D36-I39 PolarHBondContact O-N 3.46Å; D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.87Å
37	D	95.3	Very high	94.1	Very high	55 Å²	55	79.4 Å²	79.4	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-41.8	175.6	-79.6	-34.9	0	0	0	111.9	K7 L8 A33 F34 L35 A40 D41	K7-D37 WeakPolarHBondContact CD-OD1 3.44Å; K7-D37 IonicContact NZ-OD1 2.69Å; K7-D37 PolarHBondContact NZ-OD1 3.47Å; L8-D37 HydrophobicContact CD1-CB 3.87Å; A33-D37 PolarHBondContact O-N 2.67Å; F34-D37 PolarHBondContact O-N 2.81Å; L35-D37 VanDerWaalsContact C-N 3.35Å; L35-D37 PolarHBondContact O-N 2.91Å; D37-A40 PolarHBondContact O-N 3.45Å; D37-D41 PolarHBondContact O-N 2.88Å
38	I	95.6	Very high	94.2	Very high	24 Å²	24	78 Å²	78	12%	0.123	39%	0.394	C	S	.	.	H	α-helix	trans	-61	-48.5	175.5	-70.9	171.5	0	0	0	110.6	L8 I13 F34 L35 A40 D41 Y42	L8-I38 HydrophobicContact CD1-CG1 3.76Å; I13-I38 HydrophobicContact CD1-CD1 4.27Å; I13-I38 HydrophobicContact CD1-CG1 4.01Å; I13-I38 HydrophobicContact CG1-CD1 4.1Å; I13-I38 HydrophobicContact CG1-CG1 4.08Å; I13-I38 HydrophobicContact CG2-CD1 4Å; F34-I38 HydrophobicContact CD1-CD1 3.66Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å; F34-I38 HydrophobicContact CE1-CD1 3.53Å; F34-I38 HydrophobicContact CE1-CG1 4.34Å; F34-I38 HydrophobicContact CZ-CD1 4.25Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 2.93Å; L35-I38 HydrophobicContact CD2-CD1 4.38Å; L35-I38 PolarHBondContact O-N 3.21Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.29Å; I38-D41 PolarHBondContact O-N 3.49Å; I38-Y42 HydrophobicContact CG2-CD2 3.52Å; I38-Y42 HydrophobicContact CG2-CE2 3.61Å; I38-Y42 VanDerWaalsContact O-CD2 3.3Å; I38-Y42 WeakPolarHBondContact O-CD2 3.4Å; I38-Y42 PolarHBondContact O-N 2.91Å
39	I	95.1	Very high	94.3	Very high	87 Å²	87	73 Å²	73	45%	0.446	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-44.4	-179.8	-71.7	163.2	0	0	0	110.3	L35 D36 D41 Y42 Q43	L35-I39 WeakPolarHBondContact O-CB 3.33Å; L35-I39 WeakPolarHBondContact O-CD1 3.36Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.45Å; D36-I39 PolarHBondContact O-N 3.46Å; I39-D41 PolarHBondContact O-N 2.73Å; I39-Y42 PolarHBondContact O-N 3.24Å; I39-Q43 HydrophobicContact CG2-CG 4.4Å; I39-Q43 WeakPolarHBondContact O-CG 3.49Å; I39-Q43 PolarHBondContact O-N 2.93Å
40	A	94.8	Very high	94.4	Very high	40 Å²	40	70.9 Å²	70.9	33%	0.331	38%	0.376	S	S	.	.	H	α-helix	trans	-61	-44.6	178.4	0	0	0	0	0	112.2	D36 D37 I38 Q43 K44	D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.87Å; D37-A40 PolarHBondContact O-N 3.45Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.29Å; A40-Q43 PolarHBondContact O-N 3.33Å; A40-K44 PolarHBondContact O-N 2.95Å
41	D	94.5	Very high	94.4	Very high	11 Å²	11	74.5 Å²	74.5	6%	0.059	39%	0.393	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.7	-81.6	-17.5	0	0	0	111.9	L6 K7 L8 D37 I38 I39 K44 M45	L6-D41 HydrophobicContact CD2-CB 4.06Å; K7-D41 WeakPolarHBondContact CA-OD2 3.33Å; K7-D41 WeakPolarHBondContact CB-OD2 3.49Å; K7-D41 VanDerWaalsContact N-CG 3.35Å; K7-D41 PolarHBondContact N-OD1 2.97Å; K7-D41 PolarHBondContact N-OD2 3.15Å; L8-D41 PolarHBondContact N-OD2 3.25Å; D37-D41 PolarHBondContact O-N 2.88Å; I38-D41 PolarHBondContact O-N 3.49Å; I39-D41 PolarHBondContact O-N 2.73Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 2.9Å; D41-M45 WeakPolarHBondContact O-CG 3.34Å; D41-M45 PolarHBondContact O-N 2.94Å
42	Y	94.5	Very high	94.5	Very high	144 Å²	144	76.7 Å²	76.7	57%	0.565	41%	0.406	S	S	*	.	H	α-helix	trans	-65.4	-39.2	175.2	-89.6	-78.3	0	0	0	113.2	I38 I39 K44 M45 A46	I38-Y42 HydrophobicContact CG2-CD2 3.52Å; I38-Y42 HydrophobicContact CG2-CE2 3.61Å; I38-Y42 VanDerWaalsContact O-CD2 3.3Å; I38-Y42 WeakPolarHBondContact O-CD2 3.4Å; I38-Y42 PolarHBondContact O-N 2.91Å; I39-Y42 PolarHBondContact O-N 3.24Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; Y42-M45 HydrophobicContact CD1-CE 3.36Å; Y42-M45 HydrophobicContact CD2-CE 4.18Å; Y42-M45 HydrophobicContact CE1-CE 3.6Å; Y42-M45 HydrophobicContact CE2-CE 4.38Å; Y42-M45 HydrophobicContact CG-CE 3.67Å; Y42-M45 PolarHBondContact O-N 3.3Å; Y42-A46 PolarHBondContact O-N 2.9Å
43	Q	94.1	Very high	94.5	Very high	122 Å²	122	75.2 Å²	75.2	57%	0.57	40%	0.4	S	S	*	.	H	α-helix	trans	-61.5	-44.6	173.4	-74.4	173.7	-10.3	0	0	110.9	I39 A40 M45 A46 D47	I39-Q43 HydrophobicContact CG2-CG 4.4Å; I39-Q43 WeakPolarHBondContact O-CG 3.49Å; I39-Q43 PolarHBondContact O-N 2.93Å; A40-Q43 PolarHBondContact O-N 3.33Å; Q43-M45 VanDerWaalsContact C-N 3.32Å; Q43-M45 PolarHBondContact O-N 3.42Å; Q43-A46 WeakPolarHBondContact O-CB 3.43Å; Q43-A46 PolarHBondContact O-N 3.31Å; Q43-A46 VanDerWaalsContact O-N 3.13Å; Q43-D47 PolarHBondContact O-N 2.91Å
44	K	93	Very high	94.6	Very high	75 Å²	75	79.5 Å²	79.5	33%	0.326	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175.7	-167.7	178.5	-170.5	-178	0	112.4	V4 S5 L6 A40 D41 Y42 D47 M48	V4-K44 HydrophobicContact CG1-CD 3.96Å; V4-K44 HydrophobicContact CG1-CG 4.07Å; S5-K44 PolarHBondContact O-NZ 3.45Å; L6-K44 HydrophobicContact CD2-CB 4.5Å; L6-K44 HydrophobicContact CD2-CD 4.22Å; A40-K44 PolarHBondContact O-N 2.95Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 2.9Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; K44-D47 PolarHBondContact O-N 3.5Å; K44-M48 WeakPolarHBondContact O-CB 3.33Å; K44-M48 PolarHBondContact O-N 3.24Å
45	M	93	Very high	94.6	Very high	64 Å²	64	82.3 Å²	82.3	32%	0.315	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-39.4	174.5	-73	-170.5	-69.1	0	0	112.3	L6 D41 Y42 Q43 M48 N49	L6-M45 HydrophobicContact CD1-CG 4.11Å; L6-M45 HydrophobicContact CD1-SD 3.98Å; L6-M45 HydrophobicContact CD2-CG 3.91Å; D41-M45 WeakPolarHBondContact O-CG 3.34Å; D41-M45 PolarHBondContact O-N 2.94Å; Y42-M45 HydrophobicContact CD1-CE 3.36Å; Y42-M45 HydrophobicContact CD2-CE 4.18Å; Y42-M45 HydrophobicContact CE1-CE 3.6Å; Y42-M45 HydrophobicContact CE2-CE 4.38Å; Y42-M45 HydrophobicContact CG-CE 3.67Å; Y42-M45 PolarHBondContact O-N 3.3Å; Q43-M45 VanDerWaalsContact C-N 3.32Å; Q43-M45 PolarHBondContact O-N 3.42Å; M45-M48 PolarHBondContact O-N 2.92Å; M45-N49 WeakPolarHBondContact O-CB 3.49Å; M45-N49 PolarHBondContact O-N 3.43Å
46	A	93.5	Very high	94.6	Very high	49 Å²	49	82 Å²	82	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.9	0	0	0	0	0	111.7	Y42 Q43 M48 N49 N50	Y42-A46 PolarHBondContact O-N 2.9Å; Q43-A46 WeakPolarHBondContact O-CB 3.43Å; Q43-A46 PolarHBondContact O-N 3.31Å; Q43-A46 VanDerWaalsContact O-N 3.13Å; A46-M48 PolarHBondContact O-N 2.94Å; A46-N49 PolarHBondContact O-N 2.93Å; A46-N50 VanDerWaalsContact O-CG 3.27Å; A46-N50 PolarHBondContact O-N 2.88Å; A46-N50 PolarHBondContact O-ND2 2.98Å
47	D	93.6	Very high	94.6	Very high	110 Å²	110	83.6 Å²	83.6	59%	0.588	43%	0.434	S	S	*	.	H	α-helix	trans	-62.5	-43.4	176.8	-70.1	-21.8	0	0	0	111.9	Q43 K44 N49 N50 E51	Q43-D47 PolarHBondContact O-N 2.91Å; K44-D47 PolarHBondContact O-N 3.5Å; D47-N49 PolarHBondContact O-N 2.95Å; D47-N50 WeakPolarHBondContact O-CB 3.25Å; D47-N50 PolarHBondContact O-N 3.28Å; D47-E51 PolarHBondContact O-N 2.89Å
48	M	92.7	Very high	94.6	Very high	81 Å²	81	85.8 Å²	85.8	40%	0.399	44%	0.443	S	S	.	.	H	α-helix	trans	-62	-42.4	175.2	-179	174.8	60.8	0	0	111.9	V4 K44 M45 A46 N50 E51 V52	V4-M48 HydrophobicContact CG1-SD 4.13Å; K44-M48 WeakPolarHBondContact O-CB 3.33Å; K44-M48 PolarHBondContact O-N 3.24Å; M45-M48 PolarHBondContact O-N 2.92Å; A46-M48 PolarHBondContact O-N 2.94Å; M48-N50 VanDerWaalsContact C-N 3.3Å; M48-N50 PolarHBondContact O-N 3.49Å; M48-E51 PolarHBondContact O-N 3.26Å; M48-V52 WeakPolarHBondContact O-CG2 3.37Å; M48-V52 PolarHBondContact O-N 3.38Å
49	N	94.4	Very high	94.6	Very high	96 Å²	96	88.7 Å²	88.7	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-62	-40.4	176.7	-175.3	69.3	0	0	0	111.5	M45 A46 D47 V52 V53	M45-N49 WeakPolarHBondContact O-CB 3.49Å; M45-N49 PolarHBondContact O-N 3.43Å; A46-N49 PolarHBondContact O-N 2.93Å; D47-N49 PolarHBondContact O-N 2.95Å; N49-V52 PolarHBondContact O-N 2.92Å; N49-V53 WeakPolarHBondContact O-CG2 3.34Å; N49-V53 PolarHBondContact O-N 2.99Å
50	N	94.8	Very high	94.5	Very high	98 Å²	98	90.9 Å²	90.9	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.1	-67.9	-26.1	0	0	0	112	A46 D47 M48 V53 K54	A46-N50 VanDerWaalsContact O-CG 3.27Å; A46-N50 PolarHBondContact O-N 2.88Å; A46-N50 PolarHBondContact O-ND2 2.98Å; D47-N50 WeakPolarHBondContact O-CB 3.25Å; D47-N50 PolarHBondContact O-N 3.28Å; M48-N50 VanDerWaalsContact C-N 3.3Å; M48-N50 PolarHBondContact O-N 3.49Å; N50-V53 PolarHBondContact O-N 3.23Å; N50-K54 WeakPolarHBondContact O-CB 3.49Å; N50-K54 PolarHBondContact O-N 3.38Å
51	E	93.9	Very high	94.5	Very high	120 Å²	120	96 Å²	96	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-62.9	-44	175.5	-172.8	178.4	-178.5	0	0	111.7	D47 M48 V53 K54 L55	D47-E51 PolarHBondContact O-N 2.89Å; M48-E51 PolarHBondContact O-N 3.26Å; E51-V53 PolarHBondContact O-N 3.42Å; E51-K54 PolarHBondContact O-N 2.86Å; E51-L55 HydrophobicContact CG-CD1 4.02Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 WeakPolarHBondContact O-CB 3.45Å; E51-L55 WeakPolarHBondContact O-CG 3.48Å; E51-L55 PolarHBondContact O-N 3.01Å
52	V	95.2	Very high	94.5	Very high	87 Å²	87	99.7 Å²	99.7	53%	0.527	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177	170.4	0	0	0	0	111.4	M48 N49 L55 S56	M48-V52 WeakPolarHBondContact O-CG2 3.37Å; M48-V52 PolarHBondContact O-N 3.38Å; N49-V52 PolarHBondContact O-N 2.92Å; V52-L55 PolarHBondContact O-N 2.92Å; V52-S56 VanDerWaalsContact O-CB 3.29Å; V52-S56 WeakPolarHBondContact O-CB 3.44Å; V52-S56 PolarHBondContact O-N 3.41Å
53	V	95.9	Very high	94.4	Very high	65 Å²	65	99.7 Å²	99.7	39%	0.394	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-49.1	176.6	171	0	0	0	0	110.6	N49 N50 E51 L55 S56 E57	N49-V53 WeakPolarHBondContact O-CG2 3.34Å; N49-V53 PolarHBondContact O-N 2.99Å; N50-V53 PolarHBondContact O-N 3.23Å; E51-V53 PolarHBondContact O-N 3.42Å; V53-L55 PolarHBondContact O-N 3.46Å; V53-S56 WeakPolarHBondContact O-CB 3.34Å; V53-S56 PolarHBondContact O-N 3.38Å; V53-S56 VanDerWaalsContact O-N 3.14Å; V53-E57 WeakPolarHBondContact O-CG 3.33Å; V53-E57 PolarHBondContact O-N 3.47Å
54	K	95.5	Very high	94.4	Very high	144 Å²	144	100.5 Å²	100.5	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-58.3	-46.7	178.6	-177.7	-176.1	175.6	-172.9	0	112.2	N50 E51 S56 E57 E58	N50-K54 WeakPolarHBondContact O-CB 3.49Å; N50-K54 PolarHBondContact O-N 3.38Å; E51-K54 PolarHBondContact O-N 2.86Å; K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 2.83Å; K54-E57 PolarHBondContact O-N 3.42Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 2.94Å
55	L	95.4	Very high	94.3	Very high	77 Å²	77	101.9 Å²	101.9	40%	0.403	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-34.8	178	-72.3	173.1	0	0	0	112	E51 V52 V53 N59	E51-L55 HydrophobicContact CG-CD1 4.02Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 WeakPolarHBondContact O-CB 3.45Å; E51-L55 WeakPolarHBondContact O-CG 3.48Å; E51-L55 PolarHBondContact O-N 3.01Å; V52-L55 PolarHBondContact O-N 2.92Å; V53-L55 PolarHBondContact O-N 3.46Å; L55-N59 VanDerWaalsContact O-CB 3.29Å; L55-N59 WeakPolarHBondContact O-CB 3.48Å; L55-N59 PolarHBondContact O-N 3.23Å; L55-N59 PolarHBondContact O-ND2 3.44Å
56	S	95.6	Very high	94.1	Very high	77 Å²	77	103 Å²	103	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-45.5	175.2	-175.8	0	0	0	0	111.5	V52 V53 K54 N59 H60	V52-S56 VanDerWaalsContact O-CB 3.29Å; V52-S56 WeakPolarHBondContact O-CB 3.44Å; V52-S56 PolarHBondContact O-N 3.41Å; V53-S56 WeakPolarHBondContact O-CB 3.34Å; V53-S56 PolarHBondContact O-N 3.38Å; V53-S56 VanDerWaalsContact O-N 3.14Å; K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 2.83Å; S56-N59 PolarHBondContact O-N 2.99Å; S56-H60 WeakPolarHBondContact O-CB 3.23Å; S56-H60 PolarHBondContact O-N 2.94Å
57	E	95.8	Very high	94	Very high	129 Å²	129	107.4 Å²	107.4	60%	0.603	53%	0.531	S	S	*	.	H	α-helix	trans	-62.9	-44.7	176.3	-71.5	177.2	176.9	0	0	112	V53 K54 H60 K61	V53-E57 WeakPolarHBondContact O-CG 3.33Å; V53-E57 PolarHBondContact O-N 3.47Å; K54-E57 PolarHBondContact O-N 3.42Å; E57-H60 PolarHBondContact O-N 3.32Å; E57-K61 WeakPolarHBondContact O-CB 3.45Å; E57-K61 PolarHBondContact O-N 3.47Å
58	E	95.4	Very high	93.8	Very high	102 Å²	102	107.1 Å²	107.1	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-46.9	176.8	-175.3	175.7	176.7	0	0	111.4	K54 H60 K61 L62	K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 PolarHBondContact O-N 2.94Å; E58-H60 VanDerWaalsContact C-N 3.29Å; E58-H60 PolarHBondContact O-N 2.9Å; E58-K61 PolarHBondContact O-N 3.14Å; E58-L62 HydrophobicContact CG-CD1 4.07Å; E58-L62 HydrophobicContact CG-CG 4.49Å; E58-L62 WeakPolarHBondContact O-CB 3.33Å; E58-L62 WeakPolarHBondContact O-CG 3.35Å; E58-L62 PolarHBondContact O-N 2.98Å
59	N	95.3	Very high	93.5	Very high	84 Å²	84	107 Å²	107	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-61.1	-38.8	175	-86.2	-67.6	0	0	0	112.1	L55 S56 K63	L55-N59 VanDerWaalsContact O-CB 3.29Å; L55-N59 WeakPolarHBondContact O-CB 3.48Å; L55-N59 PolarHBondContact O-N 3.23Å; L55-N59 PolarHBondContact O-ND2 3.44Å; S56-N59 PolarHBondContact O-N 2.99Å; N59-K63 WeakPolarHBondContact O-CB 3.36Å; N59-K63 VanDerWaalsContact O-CG 3.23Å; N59-K63 WeakPolarHBondContact O-CG 3.47Å; N59-K63 PolarHBondContact O-N 3.33Å
60	H	94.4	Very high	93.2	Very high	134 Å²	134	110.8 Å²	110.8	62%	0.62	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-44.7	176.3	-175.2	69.4	0	0	0	111.2	S56 E57 E58 K63 K64	S56-H60 WeakPolarHBondContact O-CB 3.23Å; S56-H60 PolarHBondContact O-N 2.94Å; E57-H60 PolarHBondContact O-N 3.32Å; E58-H60 VanDerWaalsContact C-N 3.29Å; E58-H60 PolarHBondContact O-N 2.9Å; H60-K63 PolarHBondContact O-N 3.31Å; H60-K64 WeakPolarHBondContact O-CB 3.38Å; H60-K64 PolarHBondContact O-N 3.45Å
61	K	94.7	Very high	92.7	Very high	148 Å²	148	111.6 Å²	111.6	64%	0.643	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-47.5	175.7	-175.8	-177.1	175.3	-173.2	0	111.9	E57 E58 K64 E65	E57-K61 WeakPolarHBondContact O-CB 3.45Å; E57-K61 PolarHBondContact O-N 3.47Å; E58-K61 PolarHBondContact O-N 3.14Å; K61-K64 WeakPolarHBondContact O-CB 3.35Å; K61-K64 PolarHBondContact O-N 3.5Å; K61-E65 PolarHBondContact O-N 3.06Å
62	L	93.2	Very high	92.2	Very high	88 Å²	88	112.5 Å²	112.5	46%	0.461	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-41	178.9	-71.9	171.5	0	0	0	112	E58 K64 E65 L66	E58-L62 HydrophobicContact CG-CD1 4.07Å; E58-L62 HydrophobicContact CG-CG 4.49Å; E58-L62 WeakPolarHBondContact O-CB 3.33Å; E58-L62 WeakPolarHBondContact O-CG 3.35Å; E58-L62 PolarHBondContact O-N 2.98Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.24Å; L62-E65 PolarHBondContact O-N 3.48Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 PolarHBondContact O-N 2.99Å
63	K	93.8	Very high	91.5	Very high	144 Å²	144	113.8 Å²	113.8	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-62.4	-40.9	174.7	-76.8	175.9	-179.5	179.8	0	111.7	N59 H60 L66 E67	N59-K63 WeakPolarHBondContact O-CB 3.36Å; N59-K63 VanDerWaalsContact O-CG 3.23Å; N59-K63 WeakPolarHBondContact O-CG 3.47Å; N59-K63 PolarHBondContact O-N 3.33Å; H60-K63 PolarHBondContact O-N 3.31Å; K63-L66 PolarHBondContact O-N 3.26Å; K63-E67 WeakPolarHBondContact O-CB 3.46Å; K63-E67 PolarHBondContact O-N 2.94Å
64	K	92.6	Very high	90.6	Very high	139 Å²	139	114.4 Å²	114.4	60%	0.604	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-43.4	176.1	-174	179.3	179	-179.9	0	112.1	H60 K61 L62 E67 E68	H60-K64 WeakPolarHBondContact O-CB 3.38Å; H60-K64 PolarHBondContact O-N 3.45Å; K61-K64 WeakPolarHBondContact O-CB 3.35Å; K61-K64 PolarHBondContact O-N 3.5Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.24Å; K64-E67 PolarHBondContact O-N 3.49Å; K64-E68 PolarHBondContact O-N 3.3Å
65	E	91.7	Very high	89.7	Confident	103 Å²	103	112.1 Å²	112.1	48%	0.481	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-41.7	175.7	-175.2	176.3	171.8	0	0	111.6	K61 L62 E67 E68 L69	K61-E65 PolarHBondContact O-N 3.06Å; L62-E65 PolarHBondContact O-N 3.48Å; E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 3.49Å; E65-E68 PolarHBondContact O-N 2.99Å; E65-L69 HydrophobicContact CG-CD1 4.23Å; E65-L69 WeakPolarHBondContact O-CB 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 3.13Å
66	L	89.7	Confident	87.8	Confident	89 Å²	89	112.2 Å²	112.2	47%	0.466	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-39.6	175.3	-174	67.6	0	0	0	111.9	L62 K63 R70	L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 PolarHBondContact O-N 2.99Å; K63-L66 PolarHBondContact O-N 3.26Å; L66-R70 WeakPolarHBondContact O-CB 3.43Å; L66-R70 VanDerWaalsContact O-CG 3.25Å; L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 3.31Å
67	E	90.6	Very high	85.6	Confident	140 Å²	140	118.8 Å²	118.8	65%	0.654	58%	0.575	S	S	*	*	H	α-helix	trans	-64.7	-44.9	174.8	-174.4	177.3	-176.4	0	0	111.7	K63 K64 E65 L69 R70 L71	K63-E67 WeakPolarHBondContact O-CB 3.46Å; K63-E67 PolarHBondContact O-N 2.94Å; K64-E67 PolarHBondContact O-N 3.49Å; E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 3.49Å; E67-L69 PolarHBondContact O-N 2.96Å; E67-R70 PolarHBondContact O-N 2.94Å; E67-L71 PolarHBondContact O-N 3.32Å
68	E	89.5	Confident	83.3	Confident	104 Å²	104	118.8 Å²	118.8	49%	0.486	59%	0.586	S	S	.	*	H	α-helix	trans	-62.5	-44	176.8	-166.9	-168.5	145.2	0	0	111.8	K64 E65 L71 R72	K64-E68 PolarHBondContact O-N 3.3Å; E65-E68 PolarHBondContact O-N 2.99Å; E68-L71 PolarHBondContact O-N 2.89Å; E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 3.03Å; E68-R72 IonicContact OE1-NH2 2.91Å; E68-R72 PolarHBondContact OE1-NH2 3.3Å
69	L	87.2	Confident	80.7	Confident	80 Å²	80	122.4 Å²	122.4	42%	0.419	60%	0.603	S	S	.	*	H	α-helix	trans	-63.6	-41.1	176.2	-73.8	173.3	0	0	0	111.6	E65 E67 L71 R72 V73	E65-L69 HydrophobicContact CG-CD1 4.23Å; E65-L69 WeakPolarHBondContact O-CB 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.44Å; E65-L69 PolarHBondContact O-N 3.13Å; E67-L69 PolarHBondContact O-N 2.96Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 3.39Å; L69-R72 PolarHBondContact O-N 3.41Å; L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 2.9Å
70	R	87.6	Confident	77.9	Confident	175 Å²	175	124.9 Å²	124.9	66%	0.66	62%	0.616	S	S	*	*	H	α-helix	trans	-61.3	-41.8	173.8	-79.3	177.6	175	-175.6	-0.1	111.7	L66 E67 V73 A74	L66-R70 WeakPolarHBondContact O-CB 3.43Å; L66-R70 VanDerWaalsContact O-CG 3.25Å; L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 3.31Å; E67-R70 PolarHBondContact O-N 2.94Å; R70-V73 PolarHBondContact O-N 2.79Å; R70-A74 WeakPolarHBondContact O-CB 3.47Å; R70-A74 PolarHBondContact O-N 2.68Å
71	L	84.1	Confident	75.3	Confident	115 Å²	115	125.5 Å²	125.5	60%	0.602	62%	0.624	S	S	*	*	H	α-helix	trans	-64.8	-41.5	175.8	-168.9	72.7	0	0	0	111.6	E67 E68 L69 A74 T75	E67-L71 PolarHBondContact O-N 3.32Å; E68-L71 PolarHBondContact O-N 2.89Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 3.39Å; L71-A74 PolarHBondContact O-N 3.4Å; L71-T75 HydrophobicContact CG-CG2 4.47Å; L71-T75 WeakPolarHBondContact O-CB 3.4Å; L71-T75 WeakPolarHBondContact O-CG2 3.47Å; L71-T75 PolarHBondContact O-N 3.01Å; L71-T75 PolarHBondContact O-OG1 3.06Å
72	R	82.8	Confident	72.5	Confident	138 Å²	138	127.3 Å²	127.3	52%	0.521	63%	0.632	S	S	.	*	H	α-helix	trans	-64	-41.5	177.3	-167.7	178.8	-60.9	-179.3	3.8	112	E68 L69 T75 S76	E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 3.03Å; E68-R72 IonicContact OE1-NH2 2.91Å; E68-R72 PolarHBondContact OE1-NH2 3.3Å; L69-R72 PolarHBondContact O-N 3.41Å; R72-T75 WeakPolarHBondContact CA-OG1 3.5Å; R72-T75 PolarHBondContact O-OG1 3.25Å; R72-S76 VanDerWaalsContact O-CB 3.25Å; R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 3.39Å; R72-S76 PolarHBondContact O-OG 3.39Å
73	V	81.1	Confident	69.8	Low	114 Å²	114	127.9 Å²	127.9	69%	0.691	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-41	175.5	172.4	0	0	0	0	111.3	L69 R70	L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 2.9Å; R70-V73 PolarHBondContact O-N 2.79Å
74	A	77.7	Confident	67	Low	79 Å²	79	129.9 Å²	129.9	65%	0.653	65%	0.652	S	S	*	*	H	α-helix	trans	-68.4	-33	178.1	0	0	0	0	0	113.4	R70 L71	R70-A74 WeakPolarHBondContact O-CB 3.47Å; R70-A74 PolarHBondContact O-N 2.68Å; L71-A74 PolarHBondContact O-N 3.4Å
75	T	75.3	Confident	64.3	Low	95 Å²	95	127.4 Å²	127.4	58%	0.583	65%	0.653	S	S	*	*	H	α-helix	trans	-86.1	-21.1	178.8	52.5	0	0	0	0	113.4	L71 R72 R77	L71-T75 HydrophobicContact CG-CG2 4.47Å; L71-T75 WeakPolarHBondContact O-CB 3.4Å; L71-T75 WeakPolarHBondContact O-CG2 3.47Å; L71-T75 PolarHBondContact O-N 3.01Å; L71-T75 PolarHBondContact O-OG1 3.06Å; R72-T75 WeakPolarHBondContact CA-OG1 3.5Å; R72-T75 PolarHBondContact O-OG1 3.25Å; T75-R77 PolarHBondContact O-N 2.91Å
76	S	55.3	Low	61.7	Low	80 Å²	80	127.2 Å²	127.2	56%	0.559	66%	0.662	S	S	*	*			trans	-73	69.2	172	-60.9	0	0	0	0	111	R72	R72-S76 VanDerWaalsContact O-CB 3.25Å; R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 3.39Å; R72-S76 PolarHBondContact O-OG 3.39Å
77	R	49	Very low	59.1	Low	215 Å²	215	130.2 Å²	130.2	81%	0.811	68%	0.679	S	S	*	*			trans	-60.5	136.6	150.3	-68.6	-178.4	179.2	-158.2	-0.6	107.1	T75 Q79	T75-R77 PolarHBondContact O-N 2.91Å; R77-Q79 VanDerWaalsContact C-N 3.29Å; R77-Q79 PolarHBondContact O-N 2.85Å
78	P	47.7	Very low	56.6	Low	129 Å²	129	129.9 Å²	129.9	84%	0.838	68%	0.682	S	S	*	*			trans	-70	90.5	177.4	28.1	-30.5	0	0	0	108.4
79	Q	40.9	Very low	54.3	Low	178 Å²	178	130.1 Å²	130.1	83%	0.832	69%	0.69	S	S	*	*			trans	-93.6	103.4	159	-84.5	-158.8	-66.5	0	0	107.8	R77	R77-Q79 VanDerWaalsContact C-N 3.29Å; R77-Q79 PolarHBondContact O-N 2.85Å
80	D	37.9	Very low	52.5	Low	135 Å²	135	132.8 Å²	132.8	72%	0.722	71%	0.71	S	S	*	*			trans	22.5	125.3	135.2	-64	-39.5	0	0	0	118.8
81	N	38.6	Very low	50.7	Low	147 Å²	147	130 Å²	130	79%	0.786	71%	0.713	S	S	*	*			trans	93.1	130.5	141.6	-67.8	-36.6	0	0	0	120.6
82	K	36.3	Very low	49.1	Very low	186 Å²	186	127.6 Å²	127.6	81%	0.809	70%	0.7	S	S	*	*			trans	83.2	104.7	154.9	-76	170.6	179.4	-179.7	0	115.2
83	S	35.4	Very low	47.7	Very low	100 Å²	100	126 Å²	126	70%	0.699	71%	0.707	S	S	*	*				69.7	122.1	88.8	-67.9	0	0	0	0	109.7
84	F	35.7	Very low	46.6	Very low	186 Å²	186	124.7 Å²	124.7	82%	0.816	70%	0.702	S	S	*	*			cis	-176.4	147.7	40	-142.4	-121.4	0	0	0	108.9
85	S	35.8	Very low	45.9	Very low	88 Å²	88	123.5 Å²	123.5	62%	0.615	69%	0.689	S	S	*	*			trans	59.9	109.7	141.3	-71.5	0	0	0	0	123.4
86	S	36.9	Very low	45.8	Very low	98 Å²	98	122.5 Å²	122.5	69%	0.685	68%	0.68	S	S	*	*				100.3	134.5	112.1	82.1	0	0	0	0	119.3
87	N	34.8	Very low	46.9	Very low	152 Å²	152	123.1 Å²	123.1	81%	0.813	68%	0.677	S	S	*	*			trans	75	91.3	159.1	-57.3	-10.7	0	0	0	116.7
88	N	38.7	Very low	48.5	Very low	134 Å²	134	116.5 Å²	116.5	72%	0.717	66%	0.66	S	S	*	*				-171.8	119.4	99.8	-143.6	5.1	0	0	0	110.5	T90	N88-T90 PolarHBondContact O-N 2.69Å
89	T	40.9	Very low	50	Low	109 Å²	109	114.7 Å²	114.7	67%	0.669	64%	0.644	S	S	*	*			trans	-58.2	119.7	162.5	44	0	0	0	0	108.7
90	T	49.3	Very low	52.1	Low	135 Å²	135	110.4 Å²	110.4	83%	0.828	63%	0.626	S	S	*	*	S	Bend		-167.2	4.6	97.1	36.2	0	0	0	0	114.5	N88	N88-T90 PolarHBondContact O-N 2.69Å
91	T	50.4	Low	54.4	Low	118 Å²	118	109.6 Å²	109.6	72%	0.724	62%	0.62	S	S	*	*	S	Bend	trans	-111.9	7	176.9	54.7	0	0	0	0	113.6	T93	T91-T93 VanDerWaalsContact C-N 3.34Å; T91-T93 PolarHBondContact O-N 3.49Å
92	N	49.7	Very low	56.4	Low	63 Å²	63	108.6 Å²	108.6	34%	0.337	61%	0.609	S	S	.	*	H	α-helix	trans	-74.7	-5.3	-167.6	-73.6	0.1	0	0	0	116	S94 S95 N96	N92-S94 PolarHBondContact O-N 2.97Å; N92-S95 WeakPolarHBondContact CA-OG 3.3Å; N92-S95 PolarHBondContact O-N 2.96Å; N92-S95 PolarHBondContact O-OG 3.36Å; N92-N96 WeakPolarHBondContact CB-ND2 3.45Å; N92-N96 WeakPolarHBondContact O-CB 3.46Å; N92-N96 PolarHBondContact O-N 3.26Å; N92-N96 PolarHBondContact O-ND2 3.07Å; N92-N96 PolarHBondContact O-OD1 3.26Å
93	T	53.4	Low	58.6	Low	106 Å²	106	108.3 Å²	108.3	65%	0.65	60%	0.603	S	S	*	*	H	α-helix	trans	-63.6	-43.3	-175.9	54.7	0	0	0	0	112.2	T91 N97	T91-T93 VanDerWaalsContact C-N 3.34Å; T91-T93 PolarHBondContact O-N 3.49Å; T93-N97 WeakPolarHBondContact O-CB 3.47Å; T93-N97 PolarHBondContact O-N 2.79Å; T93-N97 PolarHBondContact O-ND2 2.92Å
94	S	58.3	Low	60.8	Low	85 Å²	85	107.2 Å²	107.2	59%	0.594	59%	0.589	S	S	*	*	H	α-helix	trans	-73.2	-37.6	178.4	-66.7	0	0	0	0	113.4	N92 N97 V98	N92-S94 PolarHBondContact O-N 2.97Å; S94-N97 PolarHBondContact O-N 3.13Å; S94-V98 PolarHBondContact O-N 3.1Å
95	S	63.7	Low	63	Low	55 Å²	55	101.4 Å²	101.4	39%	0.385	57%	0.571	S	S	.	*	H	α-helix	trans	-69	-42.1	175.6	58.4	0	0	0	0	111.3	N92 N97 V98 D99	N92-S95 WeakPolarHBondContact CA-OG 3.3Å; N92-S95 PolarHBondContact O-N 2.96Å; N92-S95 PolarHBondContact O-OG 3.36Å; S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 2.89Å; S95-V98 PolarHBondContact O-N 2.9Å; S95-D99 PolarHBondContact O-N 3.25Å
96	N	73.8	Confident	65.5	Low	74 Å²	74	102.5 Å²	102.5	40%	0.396	57%	0.57	S	S	.	*	H	α-helix	trans	-61.5	-39	174.8	-67.5	-23.5	0	0	0	111.4	N92 V98 D99 I100	N92-N96 WeakPolarHBondContact CB-ND2 3.45Å; N92-N96 WeakPolarHBondContact O-CB 3.46Å; N92-N96 PolarHBondContact O-N 3.26Å; N92-N96 PolarHBondContact O-ND2 3.07Å; N92-N96 PolarHBondContact O-OD1 3.26Å; N96-V98 VanDerWaalsContact C-N 3.34Å; N96-V98 PolarHBondContact O-N 3.27Å; N96-D99 PolarHBondContact O-N 3.05Å; N96-I100 HydrophobicContact CB-CD1 4.44Å; N96-I100 VanDerWaalsContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CB 3.49Å; N96-I100 WeakPolarHBondContact O-CD1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.37Å; N96-I100 PolarHBondContact O-N 3.48Å
97	N	77.5	Confident	67.8	Low	93 Å²	93	102.4 Å²	102.4	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-60.3	-43.5	176.7	-76.1	-21.4	0	0	0	111.7	T93 S94 S95 I100 L101	T93-N97 WeakPolarHBondContact O-CB 3.47Å; T93-N97 PolarHBondContact O-N 2.79Å; T93-N97 PolarHBondContact O-ND2 2.92Å; S94-N97 PolarHBondContact O-N 3.13Å; S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 2.89Å; N97-I100 PolarHBondContact O-N 2.8Å; N97-L101 WeakPolarHBondContact O-CB 3.36Å; N97-L101 VanDerWaalsContact O-CG 3.25Å; N97-L101 WeakPolarHBondContact O-CG 3.5Å; N97-L101 PolarHBondContact O-N 2.61Å
98	V	82.5	Confident	70.1	Confident	75 Å²	75	100.3 Å²	100.3	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-41.8	176.4	176.6	0	0	0	0	111	S94 S95 N96 L101 K102	S94-V98 PolarHBondContact O-N 3.1Å; S95-V98 PolarHBondContact O-N 2.9Å; N96-V98 VanDerWaalsContact C-N 3.34Å; N96-V98 PolarHBondContact O-N 3.27Å; V98-L101 PolarHBondContact O-N 3.34Å; V98-K102 HydrophobicContact CG1-CD 4.48Å; V98-K102 WeakPolarHBondContact O-CG 3.45Å; V98-K102 PolarHBondContact O-N 3.16Å
99	D	79.8	Confident	72.1	Confident	91 Å²	91	101.7 Å²	101.7	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-69.7	-36.8	179.6	-67.8	-26.7	0	0	0	112.4	S95 N96 R103	S95-D99 PolarHBondContact O-N 3.25Å; N96-D99 PolarHBondContact O-N 3.05Å; D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 3.36Å
100	I	84.3	Confident	74	Confident	89 Å²	89	100.4 Å²	100.4	46%	0.456	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-48.2	173.2	-71.1	163	0	0	0	110	N96 N97 K102 R103 I104	N96-I100 HydrophobicContact CB-CD1 4.44Å; N96-I100 VanDerWaalsContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CB 3.49Å; N96-I100 WeakPolarHBondContact O-CD1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.37Å; N96-I100 PolarHBondContact O-N 3.48Å; N97-I100 PolarHBondContact O-N 2.8Å; I100-K102 PolarHBondContact O-N 3.3Å; I100-R103 PolarHBondContact O-N 3.4Å; I100-R103 VanDerWaalsContact O-N 3.15Å; I100-I104 HydrophobicContact CG2-CD1 3.67Å; I100-I104 HydrophobicContact CG2-CG1 4.32Å; I100-I104 WeakPolarHBondContact O-CG1 3.23Å; I100-I104 PolarHBondContact O-N 3.11Å
101	L	85.9	Confident	75.3	Confident	117 Å²	117	99.1 Å²	99.1	61%	0.613	54%	0.538	S	S	*	.	H	α-helix	trans	-60.8	-42.7	178.2	-73.1	171.1	0	0	0	111.9	N97 V98 R103 I104 S105	N97-L101 WeakPolarHBondContact O-CB 3.36Å; N97-L101 VanDerWaalsContact O-CG 3.25Å; N97-L101 WeakPolarHBondContact O-CG 3.5Å; N97-L101 PolarHBondContact O-N 2.61Å; V98-L101 PolarHBondContact O-N 3.34Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 3.41Å; L101-I104 PolarHBondContact O-N 3.03Å; L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.15Å
102	K	82.4	Confident	76.7	Confident	126 Å²	126	101.2 Å²	101.2	55%	0.548	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.1	-78.2	177.8	-175	171.2	0	111.8	V98 I100 S105 N106	V98-K102 HydrophobicContact CG1-CD 4.48Å; V98-K102 WeakPolarHBondContact O-CG 3.45Å; V98-K102 PolarHBondContact O-N 3.16Å; I100-K102 PolarHBondContact O-N 3.3Å; K102-S105 PolarHBondContact O-N 3.26Å; K102-N106 WeakPolarHBondContact O-CB 3.38Å; K102-N106 PolarHBondContact O-N 3.1Å; K102-N106 PolarHBondContact O-ND2 3.44Å
103	R	81.5	Confident	77.3	Confident	180 Å²	180	101 Å²	101	68%	0.679	55%	0.551	S	S	*	*	H	α-helix	trans	-67.2	-41.9	179	-169.4	171.5	177.9	-125	-0.7	111.8	D99 I100 L101 N106 L107	D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 3.36Å; I100-R103 PolarHBondContact O-N 3.4Å; I100-R103 VanDerWaalsContact O-N 3.15Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 3.41Å; R103-N106 PolarHBondContact O-N 3.23Å; R103-L107 HydrophobicContact CG-CD1 4.27Å; R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 VanDerWaalsContact O-CG 3.24Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.05Å
104	I	82.2	Confident	77	Confident	78 Å²	78	108.8 Å²	108.8	40%	0.4	58%	0.576	S	S	.	*	H	α-helix	trans	-61.7	-50.1	173.9	-69.2	168.3	0	0	0	110	I100 L101 N106 L107 E108	I100-I104 HydrophobicContact CG2-CD1 3.67Å; I100-I104 HydrophobicContact CG2-CG1 4.32Å; I100-I104 WeakPolarHBondContact O-CG1 3.23Å; I100-I104 PolarHBondContact O-N 3.11Å; L101-I104 PolarHBondContact O-N 3.03Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 2.66Å; I104-L107 CarbonylContact O-C 3.59Å; I104-L107 WeakPolarHBondContact O-CB 3.4Å; I104-L107 PolarHBondContact O-N 2.86Å; I104-E108 HydrophobicContact CG2-CG 4.24Å; I104-E108 WeakPolarHBondContact O-CG 3.42Å; I104-E108 PolarHBondContact O-N 3.16Å
105	S	81.9	Confident	77.9	Confident	64 Å²	64	110 Å²	110	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-58.6	-40.8	178.7	-178	0	0	0	0	112.5	L101 K102 E108 K109	L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.15Å; K102-S105 PolarHBondContact O-N 3.26Å; S105-E108 PolarHBondContact O-N 2.86Å; S105-K109 WeakPolarHBondContact O-CB 3.11Å; S105-K109 PolarHBondContact O-N 3.03Å
106	N	86.9	Confident	78.6	Confident	111 Å²	111	112.9 Å²	112.9	59%	0.594	59%	0.585	S	S	*	*	H	α-helix	trans	-66.6	-39.1	175.4	-74.7	-12.7	0	0	0	112.4	K102 R103 I104 A110	K102-N106 WeakPolarHBondContact O-CB 3.38Å; K102-N106 PolarHBondContact O-N 3.1Å; K102-N106 PolarHBondContact O-ND2 3.44Å; R103-N106 PolarHBondContact O-N 3.23Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 2.66Å; N106-A110 WeakPolarHBondContact O-CB 3.2Å; N106-A110 PolarHBondContact O-N 3.02Å
107	L	86.2	Confident	78.9	Confident	96 Å²	96	115.1 Å²	115.1	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-67.5	-43.4	175.6	-74.1	168.9	0	0	0	111.4	R103 I104 K109 A110 V111	R103-L107 HydrophobicContact CG-CD1 4.27Å; R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 VanDerWaalsContact O-CG 3.24Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.05Å; I104-L107 CarbonylContact O-C 3.59Å; I104-L107 WeakPolarHBondContact O-CB 3.4Å; I104-L107 PolarHBondContact O-N 2.86Å; L107-K109 PolarHBondContact O-N 3Å; L107-A110 PolarHBondContact O-N 3.23Å; L107-V111 WeakPolarHBondContact O-CB 2.83Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 2.84Å
108	E	82.2	Confident	79	Confident	108 Å²	108	116.4 Å²	116.4	51%	0.505	60%	0.601	S	S	.	*	H	α-helix	trans	-60.3	-46.2	175	-73.3	-177.7	154.5	0	0	110.9	I104 S105 A110 V111 F112	I104-E108 HydrophobicContact CG2-CG 4.24Å; I104-E108 WeakPolarHBondContact O-CG 3.42Å; I104-E108 PolarHBondContact O-N 3.16Å; S105-E108 PolarHBondContact O-N 2.86Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.62Å; E108-V111 PolarHBondContact O-N 2.97Å; E108-F112 HydrophobicContact CB-CD2 4.23Å; E108-F112 WeakPolarHBondContact O-CB 3.37Å; E108-F112 VanDerWaalsContact O-CD2 3.3Å; E108-F112 WeakPolarHBondContact O-CD2 3.42Å; E108-F112 PolarHBondContact O-N 3.27Å
109	K	81.8	Confident	78.8	Confident	162 Å²	162	118.9 Å²	118.9	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-35.9	177.7	-166	175.7	-177	-178.1	0	112.8	S105 L107 G113	S105-K109 WeakPolarHBondContact O-CB 3.11Å; S105-K109 PolarHBondContact O-N 3.03Å; L107-K109 PolarHBondContact O-N 3Å; K109-G113 WeakPolarHBondContact O-CA 3.36Å; K109-G113 PolarHBondContact O-N 2.68Å
110	A	80.3	Confident	78.7	Confident	83 Å²	83	120.8 Å²	120.8	69%	0.686	62%	0.619	S	S	*	*	H	α-helix	trans	-73.3	-33.8	178.1	0	0	0	0	0	113	N106 L107 E108	N106-A110 WeakPolarHBondContact O-CB 3.2Å; N106-A110 PolarHBondContact O-N 3.02Å; L107-A110 PolarHBondContact O-N 3.23Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.62Å
111	V	76.8	Confident	78.3	Confident	107 Å²	107	123.1 Å²	123.1	65%	0.648	63%	0.63	S	S	*	*	H	α-helix	trans	-86.8	-38.4	-177.4	174.3	0	0	0	0	112	L107 E108	L107-V111 WeakPolarHBondContact O-CB 2.83Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 2.84Å; E108-V111 PolarHBondContact O-N 2.97Å
112	F	79.1	Confident	77.7	Confident	162 Å²	162	123.5 Å²	123.5	71%	0.711	63%	0.632	S	S	*	*	H	α-helix	trans	-103.1	-2.9	-176.8	-61.3	-76.4	0	0	0	114.2	E108 K114	E108-F112 HydrophobicContact CB-CD2 4.23Å; E108-F112 WeakPolarHBondContact O-CB 3.37Å; E108-F112 VanDerWaalsContact O-CD2 3.3Å; E108-F112 WeakPolarHBondContact O-CD2 3.42Å; E108-F112 PolarHBondContact O-N 3.27Å; F112-K114 PolarHBondContact O-N 3.35Å
113	G	62	Low	77.3	Confident	60 Å²	60	123.3 Å²	123.3	62%	0.619	64%	0.639	S	S	*	*			trans	-83	19.4	-177.2	0	0	0	0	0	115.9	K109	K109-G113 WeakPolarHBondContact O-CA 3.36Å; K109-G113 PolarHBondContact O-N 2.68Å
114	K	47	Very low	76.9	Confident	269 Å²	269	118.2 Å²	118.2	100%	1.17	64%	0.635	S	S	*	*			trans	-112.1	0	162.6	-77.9	-164.8	178.6	-172.3	0	109.6	F112	F112-K114 PolarHBondContact O-N 3.35Å

Retrieved 114 of 114 residues in 19.1 ms (Link to these results)

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