A0A5K4FBL9_SCHMA Loading...

Type II toxin-antitoxin system RelE/ParE family toxin

AlphaFold DB , UniProt , Accession A0A5K4FBL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>A0A5K4FBL9_SCHMA|A0A5K4FBL9
MKFEWSVASATAQDYLNDRISEAGPFQDDWTGISDFYTKKLWHQLTLKLECLLKNPEFRSKTNLILLSTNFPGDFIKSTHSL
					

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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	46.4	Very low	47.6	Very low	224 Å²	224	123.2 Å²	123.2	100%	1.103	67%	0.667	S	S	*	*				0	99.9	0	-72	166.2	-179.2	0	0	107.3	F3	M1-F3 PolarHBondContact O-N 2.94Å
2	K	39.1	Very low	49.6	Very low	178 Å²	178	113.8 Å²	113.8	77%	0.774	62%	0.619	S	S	*	*			trans	-81.8	104.2	176	-163.1	176.4	174.3	-170.6	0	104.9	E4	K2-E4 HydrophobicContact CD-CG 4.32Å; K2-E4 HydrophobicContact CG-CG 4.2Å; K2-E4 PolarHBondContact O-N 3.36Å
3	F	49.4	Very low	51.6	Low	167 Å²	167	111.5 Å²	111.5	73%	0.732	60%	0.601	S	S	*	*			trans	-70.7	82.1	171.8	-77.4	-88.6	0	0	0	106.7	M1 W5	M1-F3 PolarHBondContact O-N 2.94Å; F3-W5 VanDerWaalsContact O-CD1 3.27Å; F3-W5 PolarHBondContact O-N 2.9Å
4	E	36.2	Very low	53.7	Low	136 Å²	136	109.3 Å²	109.3	64%	0.636	59%	0.589	S	S	*	*			trans	-67.4	91.7	165.6	-77.3	179.3	65.6	0	0	106.2	K2 S6	K2-E4 HydrophobicContact CD-CG 4.32Å; K2-E4 HydrophobicContact CG-CG 4.2Å; K2-E4 PolarHBondContact O-N 3.36Å; E4-S6 PolarHBondContact O-N 3.33Å
5	W	47	Very low	55.4	Low	176 Å²	176	103.3 Å²	103.3	67%	0.667	56%	0.555	S	S	*	*			trans	-73	69.7	161.4	-55.9	12.2	0	0	0	104.7	F3 V7 T69	F3-W5 VanDerWaalsContact O-CD1 3.27Å; F3-W5 PolarHBondContact O-N 2.9Å; W5-V7 PolarHBondContact O-N 2.6Å; W5-T69 HydrophobicContact CZ3-CG2 4.49Å
6	S	38.3	Very low	57.1	Low	94 Å²	94	96.9 Å²	96.9	66%	0.657	52%	0.52	S	S	*	.			trans	-66.2	85.5	157.5	-73.2	0	0	0	0	104.6	E4 A8	E4-S6 PolarHBondContact O-N 3.33Å; S6-A8 PolarHBondContact O-N 2.83Å
7	V	46.2	Very low	58.7	Low	83 Å²	83	95.5 Å²	95.5	50%	0.503	51%	0.513	S	S	.	.			trans	-60.8	95.4	158	-71.9	0	0	0	0	104.5	W5 S9	W5-V7 PolarHBondContact O-N 2.6Å; V7-S9 PolarHBondContact O-N 3.46Å
8	A	45.6	Very low	60.1	Low	102 Å²	102	95.1 Å²	95.1	84%	0.843	51%	0.51	S	S	*	.			trans	-62.8	-3.8	174.7	0	0	0	0	0	111.9	S6 A10	S6-A8 PolarHBondContact O-N 2.83Å; A8-A10 PolarHBondContact O-N 3Å
9	S	49	Very low	61.3	Low	19 Å²	19	93.5 Å²	93.5	13%	0.133	50%	0.497	C	S	.	.			trans	-83.8	103.8	172.4	-170.1	0	0	0	0	110.2	V7 T11 D14 Y15	V7-S9 PolarHBondContact O-N 3.46Å; S9-T11 PolarHBondContact O-N 3.03Å; S9-T11 PolarHBondContact OG-O 3.18Å; S9-D14 WeakPolarHBondContact CA-OD1 3.43Å; S9-D14 WeakPolarHBondContact CB-OD1 3.28Å; S9-D14 WeakPolarHBondContact OG-CB 3.43Å; S9-D14 PolarHBondContact OG-OD1 3.42Å; S9-Y15 PolarHBondContact OG-N 2.75Å
10	A	58.9	Low	62.4	Low	96 Å²	96	89.9 Å²	89.9	79%	0.793	48%	0.477	S	S	*	.	S	Bend	trans	-58.2	-12.9	-176.3	0	0	0	0	0	114.1	A8	A8-A10 PolarHBondContact O-N 3Å
11	T	67.3	Low	63.3	Low	80 Å²	80	90.2 Å²	90.2	49%	0.491	49%	0.486	S	S	.	.	S	Bend	trans	-158.3	156.8	172.3	52.8	0	0	0	0	109.7	S9 Q13 D14	S9-T11 PolarHBondContact O-N 3.03Å; S9-T11 PolarHBondContact OG-O 3.18Å; T11-Q13 PolarHBondContact O-N 3.35Å; T11-D14 PolarHBondContact O-N 3.36Å
12	A	71.7	Confident	65.1	Low	11 Å²	11	85.2 Å²	85.2	9%	0.091	46%	0.46	C	S	.	.	H	α-helix	trans	-54.1	-22.6	173.1	0	0	0	0	0	113.5	L16 Y37 N70	A12-L16 VanDerWaalsContact O-CG 3.23Å; A12-L16 WeakPolarHBondContact O-CG 3.47Å; A12-L16 PolarHBondContact O-N 3.29Å; A12-Y37 HydrophobicContact CB-CE1 3.88Å; A12-Y37 HydrophobicContact CB-CE2 4.28Å; A12-N70 HydrophobicContact CB-CB 4.1Å; A12-N70 WeakPolarHBondContact CB-O 3.36Å
13	Q	75.4	Confident	67	Low	83 Å²	83	77.1 Å²	77.1	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-66.6	-38.8	174.1	-176.9	173.8	-34.4	0	0	112.7	T11 L16 N17 Y37	T11-Q13 PolarHBondContact O-N 3.35Å; Q13-L16 PolarHBondContact O-N 3.39Å; Q13-N17 PolarHBondContact O-N 3.31Å; Q13-N17 PolarHBondContact O-ND2 2.97Å; Q13-Y37 HydrophobicContact CB-CD1 4.38Å; Q13-Y37 HydrophobicContact CB-CE1 4.26Å
14	D	81.4	Confident	68.5	Low	81 Å²	81	71.3 Å²	71.3	43%	0.433	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-40.4	177.3	169.2	-86.8	0	0	0	110.8	S9 T11 L16 N17 D18	S9-D14 WeakPolarHBondContact CA-OD1 3.43Å; S9-D14 WeakPolarHBondContact CB-OD1 3.28Å; S9-D14 WeakPolarHBondContact OG-CB 3.43Å; S9-D14 PolarHBondContact OG-OD1 3.42Å; T11-D14 PolarHBondContact O-N 3.36Å; D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 2.8Å; D14-N17 PolarHBondContact O-N 3.09Å; D14-N17 VanDerWaalsContact O-N 3.07Å; D14-D18 PolarHBondContact O-N 3.32Å
15	Y	79.3	Confident	70.8	Confident	19 Å²	19	69.8 Å²	69.8	8%	0.075	42%	0.416	C	S	.	.	H	α-helix	trans	-58.1	-42.4	172.2	171.8	-96.9	0	0	0	111.3	S9 R19 L66 L67	S9-Y15 PolarHBondContact OG-N 2.75Å; Y15-R19 HydrophobicContact CD1-CG 4.43Å; Y15-R19 HydrophobicContact CE1-CG 4Å; Y15-R19 HydrophobicContact CE2-CG 4.18Å; Y15-R19 VanDerWaalsContact O-CG 3.28Å; Y15-R19 WeakPolarHBondContact O-CG 3.4Å; Y15-R19 PolarHBondContact O-N 3.49Å; Y15-R19 PolarHBondContact OH-NE 3.48Å; Y15-L66 HydrophobicContact CD2-CD2 4.27Å; Y15-L66 HydrophobicContact CE2-CD2 3.38Å; Y15-L66 HydrophobicContact CE2-CG 4.06Å; Y15-L67 HydrophobicContact CE1-CD1 4.03Å
16	L	83.2	Confident	72.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-40	176.3	-68.1	169.9	0	0	0	111.6	A12 Q13 D14 R19 I20 W30 I33 Y37 L67	A12-L16 VanDerWaalsContact O-CG 3.23Å; A12-L16 WeakPolarHBondContact O-CG 3.47Å; A12-L16 PolarHBondContact O-N 3.29Å; Q13-L16 PolarHBondContact O-N 3.39Å; D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 2.8Å; L16-R19 PolarHBondContact O-N 2.79Å; L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 3.07Å; L16-W30 HydrophobicContact CD2-CE3 3.71Å; L16-W30 HydrophobicContact CD2-CZ3 3.61Å; L16-I33 HydrophobicContact CD1-CG2 4.3Å; L16-I33 HydrophobicContact CD2-CG2 3.75Å; L16-Y37 HydrophobicContact CD1-CD1 4.02Å; L16-Y37 HydrophobicContact CD1-CG 4.02Å; L16-L67 HydrophobicContact CD2-CD1 4.42Å
17	N	83.6	Confident	74.9	Confident	73 Å²	73	62.9 Å²	62.9	39%	0.39	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-40.3	177.6	-76.7	-65.3	0	0	0	113.2	Q13 D14 R19 I20 S21	Q13-N17 PolarHBondContact O-N 3.31Å; Q13-N17 PolarHBondContact O-ND2 2.97Å; D14-N17 PolarHBondContact O-N 3.09Å; D14-N17 VanDerWaalsContact O-N 3.07Å; N17-R19 VanDerWaalsContact C-N 3.33Å; N17-I20 PolarHBondContact O-N 3.31Å; N17-S21 PolarHBondContact O-N 2.77Å; N17-S21 VanDerWaalsContact O-N 3.12Å; N17-S21 PolarHBondContact O-OG 3.12Å
18	D	83.9	Confident	76.9	Confident	88 Å²	88	64.9 Å²	64.9	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-46.3	173.1	-171.1	-113.1	0	0	0	110.3	D14 I20 S21 E22	D14-D18 PolarHBondContact O-N 3.32Å; D18-I20 PolarHBondContact O-N 2.93Å; D18-S21 WeakPolarHBondContact O-CB 3.44Å; D18-S21 PolarHBondContact O-N 3.36Å; D18-S21 VanDerWaalsContact O-N 3.12Å; D18-E22 PolarHBondContact O-N 2.84Å
19	R	82.3	Confident	78.9	Confident	66 Å²	66	61.6 Å²	61.6	25%	0.249	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175.8	-69.1	-60	178.1	-159.3	-0.7	113.9	Y15 L16 N17 S21 E22 A23 W30	Y15-R19 HydrophobicContact CD1-CG 4.43Å; Y15-R19 HydrophobicContact CE1-CG 4Å; Y15-R19 HydrophobicContact CE2-CG 4.18Å; Y15-R19 VanDerWaalsContact O-CG 3.28Å; Y15-R19 WeakPolarHBondContact O-CG 3.4Å; Y15-R19 PolarHBondContact O-N 3.49Å; Y15-R19 PolarHBondContact OH-NE 3.48Å; L16-R19 PolarHBondContact O-N 2.79Å; N17-R19 VanDerWaalsContact C-N 3.33Å; R19-S21 PolarHBondContact O-N 2.89Å; R19-E22 IonicContact CZ-OE2 2.69Å; R19-E22 IonicContact NH1-OE2 2.72Å; R19-E22 PolarHBondContact NH1-OE2 2.88Å; R19-E22 PolarHBondContact O-N 2.96Å; R19-A23 WeakPolarHBondContact O-CA 3.35Å; R19-A23 WeakPolarHBondContact O-CB 3.19Å; R19-A23 PolarHBondContact O-N 3.11Å; R19-W30 HydrophobicContact CB-CD2 3.89Å; R19-W30 HydrophobicContact CB-CE3 3.9Å; R19-W30 HydrophobicContact CB-CG 4.44Å; R19-W30 HydrophobicContact CB-CH2 4.3Å; R19-W30 HydrophobicContact CB-CZ2 4.29Å; R19-W30 HydrophobicContact CB-CZ3 4.13Å; R19-W30 HydrophobicContact CG-CH2 4.21Å; R19-W30 HydrophobicContact CG-CZ2 4.4Å; R19-W30 HydrophobicContact CG-CZ3 4.3Å
20	I	83.8	Confident	80.7	Confident	21 Å²	21	61 Å²	61	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-55.6	-45.1	173.7	-71	164.1	0	0	0	109.7	L16 N17 D18 E22 A23 Q27 W30	L16-I20 WeakPolarHBondContact O-CG1 3.39Å; L16-I20 PolarHBondContact O-N 3.07Å; N17-I20 PolarHBondContact O-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; I20-E22 PolarHBondContact O-N 3.3Å; I20-A23 PolarHBondContact O-N 3.29Å; I20-Q27 HydrophobicContact CG2-CG 3.64Å; I20-Q27 WeakPolarHBondContact O-CG 3.5Å; I20-W30 HydrophobicContact CB-CB 4.36Å; I20-W30 HydrophobicContact CG1-CB 3.5Å; I20-W30 VanDerWaalsContact CG1-CB 3.5Å
21	S	82.4	Confident	82.2	Confident	96 Å²	96	59.6 Å²	59.6	67%	0.671	33%	0.332	S	S	*	.	H	α-helix	trans	-67.2	-35.6	-178.5	-55.7	0	0	0	0	112.6	N17 D18 R19	N17-S21 PolarHBondContact O-N 2.77Å; N17-S21 VanDerWaalsContact O-N 3.12Å; N17-S21 PolarHBondContact O-OG 3.12Å; D18-S21 WeakPolarHBondContact O-CB 3.44Å; D18-S21 PolarHBondContact O-N 3.36Å; D18-S21 VanDerWaalsContact O-N 3.12Å; R19-S21 PolarHBondContact O-N 2.89Å
22	E	82.3	Confident	83.2	Confident	120 Å²	120	56.7 Å²	56.7	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-85.2	-16.1	177.6	-64.7	-169.9	105.1	0	0	114.4	D18 R19 I20 G24	D18-E22 PolarHBondContact O-N 2.84Å; R19-E22 IonicContact CZ-OE2 2.69Å; R19-E22 IonicContact NH1-OE2 2.72Å; R19-E22 PolarHBondContact NH1-OE2 2.88Å; R19-E22 PolarHBondContact O-N 2.96Å; I20-E22 PolarHBondContact O-N 3.3Å; E22-G24 VanDerWaalsContact C-N 3.27Å; E22-G24 PolarHBondContact O-N 2.69Å
23	A	79.8	Confident	83.8	Confident	7 Å²	7	56.1 Å²	56.1	6%	0.058	31%	0.314	C	S	.	.			trans	-68.7	-20.9	-165.8	0	0	0	0	0	114.9	R19 I20 P25 F26 Q27 W30	R19-A23 WeakPolarHBondContact O-CA 3.35Å; R19-A23 WeakPolarHBondContact O-CB 3.19Å; R19-A23 PolarHBondContact O-N 3.11Å; I20-A23 PolarHBondContact O-N 3.29Å; A23-P25 WeakPolarHBondContact O-CD 3.49Å; A23-F26 HydrophobicContact CB-CB 4.07Å; A23-F26 PolarHBondContact O-N 3.01Å; A23-Q27 HydrophobicContact CB-CB 4.37Å; A23-W30 HydrophobicContact CB-CB 4.5Å; A23-W30 HydrophobicContact CB-CG 4.08Å
24	G	81.7	Confident	84.3	Confident	45 Å²	45	52.7 Å²	52.7	46%	0.464	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	53.1	-110.4	-176.7	0	0	0	0	0	111.4	E22 F26 Q27	E22-G24 VanDerWaalsContact C-N 3.27Å; E22-G24 PolarHBondContact O-N 2.69Å; G24-F26 PolarHBondContact O-N 3.12Å; G24-Q27 WeakPolarHBondContact O-CB 3.41Å; G24-Q27 PolarHBondContact O-N 3.18Å; G24-Q27 VanDerWaalsContact O-N 3.1Å
25	P	83.4	Confident	84.7	Confident	105 Å²	105	51.8 Å²	51.8	68%	0.682	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.6	179.1	27.1	-36.3	0	0	0	114.3	A23 Q27	A23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-Q27 VanDerWaalsContact C-N 3.32Å
26	F	83.8	Confident	85	Confident	23 Å²	23	52.7 Å²	52.7	10%	0.101	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90.8	7	178.3	-58.2	-69	0	0	0	112.7	A23 G24 D28 D29 W30 E57 F58 K61	A23-F26 HydrophobicContact CB-CB 4.07Å; A23-F26 PolarHBondContact O-N 3.01Å; G24-F26 PolarHBondContact O-N 3.12Å; F26-D28 VanDerWaalsContact C-N 3.27Å; F26-D28 PolarHBondContact O-N 3.15Å; F26-D29 WeakPolarHBondContact O-CB 3.17Å; F26-D29 PolarHBondContact O-N 3.32Å; F26-D29 VanDerWaalsContact O-N 3.1Å; F26-W30 PolarHBondContact O-N 3.45Å; F26-E57 HydrophobicContact CE2-CB 4.42Å; F26-E57 HydrophobicContact CZ-CB 3.96Å; F26-F58 HydrophobicContact CB-CD2 4.21Å; F26-F58 HydrophobicContact CB-CE2 4.4Å; F26-F58 AromaticContact CD1-CD2 3.83Å; F26-F58 HydrophobicContact CD1-CD2 3.83Å; F26-F58 HydrophobicContact CD2-CD2 4.32Å; F26-F58 HydrophobicContact CE1-CB 4.15Å; F26-F58 HydrophobicContact CE1-CD2 4.27Å; F26-F58 AromaticContact CG-CD2 3.86Å; F26-F58 HydrophobicContact CG-CD2 3.86Å; F26-F58 HydrophobicContact CZ-CB 4.18Å; F26-K61 HydrophobicContact CD2-CD 4.28Å; F26-K61 HydrophobicContact CE2-CD 4.2Å
27	Q	87.6	Confident	85	Confident	102 Å²	102	54.8 Å²	54.8	48%	0.477	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-41.9	-176.9	-177.2	-177.2	-67.6	0	0	112	I20 A23 G24 P25 W30 T31	I20-Q27 HydrophobicContact CG2-CG 3.64Å; I20-Q27 WeakPolarHBondContact O-CG 3.5Å; A23-Q27 HydrophobicContact CB-CB 4.37Å; G24-Q27 WeakPolarHBondContact O-CB 3.41Å; G24-Q27 PolarHBondContact O-N 3.18Å; G24-Q27 VanDerWaalsContact O-N 3.1Å; P25-Q27 VanDerWaalsContact C-N 3.32Å; Q27-W30 PolarHBondContact O-N 3.37Å; Q27-T31 WeakPolarHBondContact O-CB 3.39Å; Q27-T31 PolarHBondContact O-N 2.87Å; Q27-T31 PolarHBondContact O-OG1 3.22Å
28	D	88.9	Confident	84.9	Confident	124 Å²	124	55 Å²	55	66%	0.663	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-43.3	177.1	-170.2	-96.9	0	0	0	111.8	F26 T31 G32	F26-D28 VanDerWaalsContact C-N 3.27Å; F26-D28 PolarHBondContact O-N 3.15Å; D28-T31 WeakPolarHBondContact O-CB 3.27Å; D28-T31 PolarHBondContact O-N 3.28Å; D28-G32 PolarHBondContact O-N 2.73Å
29	D	87.1	Confident	85	Confident	33 Å²	33	56.7 Å²	56.7	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-44.8	178.5	-69.1	-61.3	0	0	0	112.6	F26 T31 G32 I33 K48 L52	F26-D29 WeakPolarHBondContact O-CB 3.17Å; F26-D29 PolarHBondContact O-N 3.32Å; F26-D29 VanDerWaalsContact O-N 3.1Å; D29-T31 VanDerWaalsContact C-N 3.33Å; D29-G32 PolarHBondContact O-N 3.32Å; D29-I33 WeakPolarHBondContact O-CG1 3.38Å; D29-I33 PolarHBondContact O-N 3.42Å; D29-K48 WeakPolarHBondContact OD1-CE 3.46Å; D29-K48 IonicContact OD1-NZ 2.76Å; D29-K48 PolarHBondContact OD1-NZ 2.82Å; D29-L52 HydrophobicContact CB-CD1 3.79Å; D29-L52 HydrophobicContact CB-CD2 3.5Å; D29-L52 HydrophobicContact CB-CG 4.25Å; D29-L52 WeakPolarHBondContact OD1-CD2 3.07Å
30	W	87.4	Confident	84.9	Confident	8 Å²	8	60.7 Å²	60.7	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-35.4	175.3	-77.7	103.7	0	0	0	112.3	L16 R19 I20 A23 F26 Q27 G32 I33 S34 F58 T62 L67	L16-W30 HydrophobicContact CD2-CE3 3.71Å; L16-W30 HydrophobicContact CD2-CZ3 3.61Å; R19-W30 HydrophobicContact CB-CD2 3.89Å; R19-W30 HydrophobicContact CB-CE3 3.9Å; R19-W30 HydrophobicContact CB-CG 4.44Å; R19-W30 HydrophobicContact CB-CH2 4.3Å; R19-W30 HydrophobicContact CB-CZ2 4.29Å; R19-W30 HydrophobicContact CB-CZ3 4.13Å; R19-W30 HydrophobicContact CG-CH2 4.21Å; R19-W30 HydrophobicContact CG-CZ2 4.4Å; R19-W30 HydrophobicContact CG-CZ3 4.3Å; I20-W30 HydrophobicContact CB-CB 4.36Å; I20-W30 HydrophobicContact CG1-CB 3.5Å; I20-W30 VanDerWaalsContact CG1-CB 3.5Å; A23-W30 HydrophobicContact CB-CB 4.5Å; A23-W30 HydrophobicContact CB-CG 4.08Å; F26-W30 PolarHBondContact O-N 3.45Å; Q27-W30 PolarHBondContact O-N 3.37Å; W30-G32 VanDerWaalsContact C-N 3.32Å; W30-I33 HydrophobicContact CD2-CD1 4.36Å; W30-I33 HydrophobicContact CE3-CD1 3.98Å; W30-I33 HydrophobicContact CZ3-CD1 4.33Å; W30-I33 PolarHBondContact O-N 2.86Å; W30-S34 WeakPolarHBondContact O-CB 3.42Å; W30-S34 PolarHBondContact O-N 3.41Å; W30-F58 HydrophobicContact CD2-CE2 4.47Å; W30-F58 AromaticContact CE2-CE2 3.68Å; W30-F58 AromaticContact CE2-CZ 3.78Å; W30-F58 HydrophobicContact CH2-CZ 4.23Å; W30-F58 AromaticContact CZ2-CE2 3.95Å; W30-F58 HydrophobicContact CZ2-CE2 3.95Å; W30-F58 AromaticContact CZ2-CZ 3.63Å; W30-F58 HydrophobicContact CZ2-CZ 3.63Å; W30-F58 AromaticContact NE1-CE2 3.41Å; W30-T62 HydrophobicContact CH2-CG2 3.62Å; W30-T62 HydrophobicContact CZ2-CG2 3.7Å; W30-T62 WeakPolarHBondContact CZ2-OG1 3.28Å; W30-L67 HydrophobicContact CZ3-CD1 4.26Å
31	T	89.4	Confident	84.9	Confident	65 Å²	65	62.5 Å²	62.5	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-43.8	173.7	-58.6	0	0	0	0	110.1	Q27 D28 D29 S34 D35	Q27-T31 WeakPolarHBondContact O-CB 3.39Å; Q27-T31 PolarHBondContact O-N 2.87Å; Q27-T31 PolarHBondContact O-OG1 3.22Å; D28-T31 WeakPolarHBondContact O-CB 3.27Å; D28-T31 PolarHBondContact O-N 3.28Å; D29-T31 VanDerWaalsContact C-N 3.33Å; T31-S34 PolarHBondContact O-N 2.69Å; T31-D35 PolarHBondContact O-N 3.32Å
32	G	88.5	Confident	84.9	Confident	19 Å²	19	61.6 Å²	61.6	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-43.4	173	0	0	0	0	0	113.1	D28 D29 W30 S34 D35 F36	D28-G32 PolarHBondContact O-N 2.73Å; D29-G32 PolarHBondContact O-N 3.32Å; W30-G32 VanDerWaalsContact C-N 3.32Å; G32-S34 VanDerWaalsContact C-N 3.35Å; G32-S34 PolarHBondContact O-N 2.95Å; G32-D35 PolarHBondContact O-N 3.45Å; G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 WeakPolarHBondContact O-CD2 3.45Å; G32-F36 WeakPolarHBondContact O-CG 3.47Å; G32-F36 PolarHBondContact O-N 3.03Å
33	I	85.2	Confident	84.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-44.1	175.1	-66.7	162.8	0	0	0	110.9	L16 D29 W30 F36 Y37 L45 K48 L49 L52 F58 F71	L16-I33 HydrophobicContact CD1-CG2 4.3Å; L16-I33 HydrophobicContact CD2-CG2 3.75Å; D29-I33 WeakPolarHBondContact O-CG1 3.38Å; D29-I33 PolarHBondContact O-N 3.42Å; W30-I33 HydrophobicContact CD2-CD1 4.36Å; W30-I33 HydrophobicContact CE3-CD1 3.98Å; W30-I33 HydrophobicContact CZ3-CD1 4.33Å; W30-I33 PolarHBondContact O-N 2.86Å; I33-F36 PolarHBondContact O-N 3.41Å; I33-Y37 WeakPolarHBondContact O-CB 3.3Å; I33-Y37 PolarHBondContact O-N 2.87Å; I33-L45 HydrophobicContact CG2-CD1 4.16Å; I33-L45 HydrophobicContact CG2-CG 4.4Å; I33-K48 HydrophobicContact CG1-CG 4.31Å; I33-L49 HydrophobicContact CD1-CD1 4.43Å; I33-L52 HydrophobicContact CD1-CD1 3.47Å; I33-L52 VanDerWaalsContact CD1-CD1 3.47Å; I33-L52 HydrophobicContact CG1-CD1 4.15Å; I33-F58 HydrophobicContact CD1-CZ 4.39Å; I33-F71 HydrophobicContact CG2-CZ 3.95Å
34	S	86.4	Confident	85.1	Confident	11 Å²	11	66.6 Å²	66.6	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-42.8	178.3	-171.1	0	0	0	0	112.4	W30 T31 G32 Y37 T38	W30-S34 WeakPolarHBondContact O-CB 3.42Å; W30-S34 PolarHBondContact O-N 3.41Å; T31-S34 PolarHBondContact O-N 2.69Å; G32-S34 VanDerWaalsContact C-N 3.35Å; G32-S34 PolarHBondContact O-N 2.95Å; S34-Y37 PolarHBondContact O-N 3.34Å; S34-T38 WeakPolarHBondContact O-CB 3.4Å; S34-T38 PolarHBondContact O-N 3.36Å; S34-T38 PolarHBondContact O-OG1 3.13Å
35	D	88.7	Confident	85.3	Confident	62 Å²	62	64.7 Å²	64.7	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-46.6	174.2	-178.2	-103.3	0	0	0	111.5	T31 G32 Y37 T38 K39	T31-D35 PolarHBondContact O-N 3.32Å; G32-D35 PolarHBondContact O-N 3.45Å; D35-Y37 VanDerWaalsContact C-N 3.32Å; D35-Y37 PolarHBondContact O-N 3.13Å; D35-T38 PolarHBondContact O-N 2.92Å; D35-K39 WeakPolarHBondContact O-CB 3.36Å; D35-K39 WeakPolarHBondContact O-CG 3.39Å; D35-K39 PolarHBondContact O-N 3.22Å; D35-K39 WeakPolarHBondContact OD1-CD 3.2Å; D35-K39 WeakPolarHBondContact OD1-CE 3.4Å; D35-K39 IonicContact OD1-NZ 2.85Å; D35-K39 PolarHBondContact OD1-NZ 3.32Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 3.72Å; D35-K39 PolarHBondContact OD2-NZ 3.47Å
36	F	86.6	Confident	85.2	Confident	38 Å²	38	62.2 Å²	62.2	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-38.9	176.8	-64.6	-37.6	0	0	0	112.3	G32 I33 K39 K40 L41 Q44 L45 K48	G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 WeakPolarHBondContact O-CD2 3.45Å; G32-F36 WeakPolarHBondContact O-CG 3.47Å; G32-F36 PolarHBondContact O-N 3.03Å; I33-F36 PolarHBondContact O-N 3.41Å; F36-K39 CarbonylContact O-C 3.58Å; F36-K40 PolarHBondContact O-N 2.89Å; F36-L41 HydrophobicContact CB-CB 4.18Å; F36-L41 HydrophobicContact CD1-CB 4.14Å; F36-L41 HydrophobicContact CD1-CD1 3.77Å; F36-L41 HydrophobicContact CE1-CD1 4.37Å; F36-L41 PolarHBondContact O-N 3.37Å; F36-Q44 HydrophobicContact CD1-CB 3.96Å; F36-Q44 HydrophobicContact CD2-CB 4.32Å; F36-Q44 HydrophobicContact CE1-CB 3.92Å; F36-Q44 HydrophobicContact CE2-CB 4.29Å; F36-Q44 HydrophobicContact CG-CB 4.18Å; F36-Q44 HydrophobicContact CZ-CB 4.09Å; F36-L45 HydrophobicContact CB-CB 3.83Å; F36-L45 HydrophobicContact CB-CD1 4.11Å; F36-L45 HydrophobicContact CB-CG 4.39Å; F36-K48 HydrophobicContact CD2-CB 4.16Å; F36-K48 HydrophobicContact CD2-CG 4.44Å; F36-K48 HydrophobicContact CE2-CB 3.83Å; F36-K48 HydrophobicContact CE2-CD 4.45Å; F36-K48 HydrophobicContact CE2-CG 3.99Å
37	Y	82.3	Confident	85.4	Confident	44 Å²	44	65.4 Å²	65.4	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-47.5	176.7	178.4	-109.1	0	0	0	111.3	A12 Q13 L16 I33 S34 D35 K39 K40 W42 L45 F71	A12-Y37 HydrophobicContact CB-CE1 3.88Å; A12-Y37 HydrophobicContact CB-CE2 4.28Å; Q13-Y37 HydrophobicContact CB-CD1 4.38Å; Q13-Y37 HydrophobicContact CB-CE1 4.26Å; L16-Y37 HydrophobicContact CD1-CD1 4.02Å; L16-Y37 HydrophobicContact CD1-CG 4.02Å; I33-Y37 WeakPolarHBondContact O-CB 3.3Å; I33-Y37 PolarHBondContact O-N 2.87Å; S34-Y37 PolarHBondContact O-N 3.34Å; D35-Y37 VanDerWaalsContact C-N 3.32Å; D35-Y37 PolarHBondContact O-N 3.13Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.05Å; Y37-K40 WeakPolarHBondContact O-CA 3.22Å; Y37-K40 PolarHBondContact O-N 3.48Å; Y37-W42 AromaticContact CD2-CH2 3.85Å; Y37-W42 HydrophobicContact CD2-CH2 3.85Å; Y37-W42 AromaticContact CD2-CZ3 3.79Å; Y37-W42 HydrophobicContact CD2-CZ3 3.79Å; Y37-W42 AromaticContact CE2-CH2 3.69Å; Y37-W42 HydrophobicContact CE2-CH2 3.69Å; Y37-W42 AromaticContact CE2-CZ3 3.97Å; Y37-W42 HydrophobicContact CE2-CZ3 3.97Å; Y37-L45 HydrophobicContact CD2-CD1 4.46Å; Y37-F71 AromaticContact CD2-CD1 3.54Å; Y37-F71 HydrophobicContact CD2-CD1 3.54Å; Y37-F71 AromaticContact CD2-CE1 3.29Å; Y37-F71 HydrophobicContact CD2-CE1 3.29Å; Y37-F71 AromaticContact CE2-CD1 3.72Å; Y37-F71 HydrophobicContact CE2-CD1 3.72Å; Y37-F71 AromaticContact CE2-CE1 3.91Å; Y37-F71 HydrophobicContact CE2-CE1 3.91Å; Y37-F71 AromaticContact CG-CE1 3.9Å; Y37-F71 HydrophobicContact CG-CE1 3.9Å
38	T	82.1	Confident	85.2	Confident	77 Å²	77	63.6 Å²	63.6	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-42	178.5	-56.9	0	0	0	0	111.2	S34 D35 K40	S34-T38 WeakPolarHBondContact O-CB 3.4Å; S34-T38 PolarHBondContact O-N 3.36Å; S34-T38 PolarHBondContact O-OG1 3.13Å; D35-T38 PolarHBondContact O-N 2.92Å; T38-K40 PolarHBondContact O-N 3.21Å
39	K	85.6	Confident	85	Confident	125 Å²	125	58.7 Å²	58.7	54%	0.543	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.3	175.8	-68.2	176.4	179.9	156.6	0	113.9	D35 F36 Y37 L41	D35-K39 WeakPolarHBondContact O-CB 3.36Å; D35-K39 WeakPolarHBondContact O-CG 3.39Å; D35-K39 PolarHBondContact O-N 3.22Å; D35-K39 WeakPolarHBondContact OD1-CD 3.2Å; D35-K39 WeakPolarHBondContact OD1-CE 3.4Å; D35-K39 IonicContact OD1-NZ 2.85Å; D35-K39 PolarHBondContact OD1-NZ 3.32Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 3.72Å; D35-K39 PolarHBondContact OD2-NZ 3.47Å; F36-K39 CarbonylContact O-C 3.58Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.05Å; K39-L41 HydrophobicContact CB-CD1 3.67Å; K39-L41 HydrophobicContact CB-CG 3.73Å; K39-L41 HydrophobicContact CD-CD1 3.83Å; K39-L41 HydrophobicContact CG-CD1 4.41Å; K39-L41 PolarHBondContact O-N 2.96Å
40	K	80.4	Confident	84.8	Confident	149 Å²	149	61.7 Å²	61.7	65%	0.648	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	33.6	-175.6	-58.3	178.4	178.5	176.6	0	112.9	F36 Y37 T38 W42	F36-K40 PolarHBondContact O-N 2.89Å; Y37-K40 WeakPolarHBondContact O-CA 3.22Å; Y37-K40 PolarHBondContact O-N 3.48Å; T38-K40 PolarHBondContact O-N 3.21Å; K40-W42 HydrophobicContact CB-CZ2 4.31Å; K40-W42 HydrophobicContact CG-CZ2 4.29Å; K40-W42 PolarHBondContact O-N 2.76Å
41	L	84.2	Confident	84.7	Confident	60 Å²	60	64.8 Å²	64.8	31%	0.314	33%	0.326	S	S	.	.			trans	-81.7	63.6	177.1	-67.8	168.8	0	0	0	110.1	F36 K39 H43 Q44 L45	F36-L41 HydrophobicContact CB-CB 4.18Å; F36-L41 HydrophobicContact CD1-CB 4.14Å; F36-L41 HydrophobicContact CD1-CD1 3.77Å; F36-L41 HydrophobicContact CE1-CD1 4.37Å; F36-L41 PolarHBondContact O-N 3.37Å; K39-L41 HydrophobicContact CB-CD1 3.67Å; K39-L41 HydrophobicContact CB-CG 3.73Å; K39-L41 HydrophobicContact CD-CD1 3.83Å; K39-L41 HydrophobicContact CG-CD1 4.41Å; K39-L41 PolarHBondContact O-N 2.96Å; L41-H43 PolarHBondContact O-N 3.39Å; L41-H43 VanDerWaalsContact O-N 3.16Å; L41-Q44 HydrophobicContact CB-CB 4.25Å; L41-Q44 PolarHBondContact O-N 2.85Å; L41-Q44 VanDerWaalsContact O-N 3.13Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 PolarHBondContact O-N 3.25Å
42	W	81.5	Confident	84.4	Confident	76 Å²	76	61.8 Å²	61.8	29%	0.288	31%	0.307	S	S	.	.	H	α-helix	trans	-54.6	-38.5	-172.8	-57.4	116.6	0	0	0	113.7	Y37 K40 T46 F71	Y37-W42 AromaticContact CD2-CH2 3.85Å; Y37-W42 HydrophobicContact CD2-CH2 3.85Å; Y37-W42 AromaticContact CD2-CZ3 3.79Å; Y37-W42 HydrophobicContact CD2-CZ3 3.79Å; Y37-W42 AromaticContact CE2-CH2 3.69Å; Y37-W42 HydrophobicContact CE2-CH2 3.69Å; Y37-W42 AromaticContact CE2-CZ3 3.97Å; Y37-W42 HydrophobicContact CE2-CZ3 3.97Å; K40-W42 HydrophobicContact CB-CZ2 4.31Å; K40-W42 HydrophobicContact CG-CZ2 4.29Å; K40-W42 PolarHBondContact O-N 2.76Å; W42-T46 WeakPolarHBondContact O-CB 3.09Å; W42-T46 PolarHBondContact O-N 2.91Å; W42-T46 PolarHBondContact O-OG1 3.16Å; W42-F71 AromaticContact CZ3-CD1 3.92Å; W42-F71 HydrophobicContact CZ3-CD1 3.92Å
43	H	80	Confident	84.1	Confident	142 Å²	142	62.1 Å²	62.1	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-51.7	178.2	-175.2	68.2	0	0	0	111.6	L41 L45 T46 L47	L41-H43 PolarHBondContact O-N 3.39Å; L41-H43 VanDerWaalsContact O-N 3.16Å; H43-L45 VanDerWaalsContact C-N 3.32Å; H43-L45 PolarHBondContact O-N 2.76Å; H43-T46 PolarHBondContact O-N 3.13Å; H43-L47 WeakPolarHBondContact NE2-CD1 3.48Å; H43-L47 WeakPolarHBondContact O-CG 3.39Å; H43-L47 PolarHBondContact O-N 2.84Å
44	Q	86.6	Confident	83.9	Confident	91 Å²	91	68.5 Å²	68.5	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-38	179	-64.1	-170.5	-92.1	0	0	111.7	F36 L41 L47 K48	F36-Q44 HydrophobicContact CD1-CB 3.96Å; F36-Q44 HydrophobicContact CD2-CB 4.32Å; F36-Q44 HydrophobicContact CE1-CB 3.92Å; F36-Q44 HydrophobicContact CE2-CB 4.29Å; F36-Q44 HydrophobicContact CG-CB 4.18Å; F36-Q44 HydrophobicContact CZ-CB 4.09Å; L41-Q44 HydrophobicContact CB-CB 4.25Å; L41-Q44 PolarHBondContact O-N 2.85Å; L41-Q44 VanDerWaalsContact O-N 3.13Å; Q44-L47 PolarHBondContact O-N 2.97Å; Q44-K48 VanDerWaalsContact O-CB 3.28Å; Q44-K48 WeakPolarHBondContact O-CB 3.31Å; Q44-K48 PolarHBondContact O-N 2.84Å
45	L	85.2	Confident	83.7	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-49.4	175	-174.2	139.2	0	0	0	111.4	I33 F36 Y37 L41 H43 K48 L49 F71	I33-L45 HydrophobicContact CG2-CD1 4.16Å; I33-L45 HydrophobicContact CG2-CG 4.4Å; F36-L45 HydrophobicContact CB-CB 3.83Å; F36-L45 HydrophobicContact CB-CD1 4.11Å; F36-L45 HydrophobicContact CB-CG 4.39Å; Y37-L45 HydrophobicContact CD2-CD1 4.46Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 PolarHBondContact O-N 3.25Å; H43-L45 VanDerWaalsContact C-N 3.32Å; H43-L45 PolarHBondContact O-N 2.76Å; L45-K48 PolarHBondContact O-N 2.85Å; L45-L49 VanDerWaalsContact O-CB 3.22Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.37Å; L45-F71 HydrophobicContact CD1-CD1 4.39Å; L45-F71 HydrophobicContact CD1-CE1 3.43Å; L45-F71 VanDerWaalsContact CD1-CE1 3.43Å; L45-F71 HydrophobicContact CD1-CZ 3.63Å; L45-F71 HydrophobicContact CD2-CD1 4.26Å; L45-F71 HydrophobicContact CD2-CD2 4.41Å; L45-F71 HydrophobicContact CD2-CE1 3.79Å; L45-F71 HydrophobicContact CD2-CE2 3.91Å; L45-F71 HydrophobicContact CD2-CZ 3.63Å; L45-F71 HydrophobicContact CG-CE1 4.21Å; L45-F71 HydrophobicContact CG-CZ 4.09Å
46	T	82.9	Confident	83.4	Confident	53 Å²	53	72.8 Å²	72.8	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-42.6	-179	-53.4	0	0	0	0	111	W42 H43 L49 E50	W42-T46 WeakPolarHBondContact O-CB 3.09Å; W42-T46 PolarHBondContact O-N 2.91Å; W42-T46 PolarHBondContact O-OG1 3.16Å; H43-T46 PolarHBondContact O-N 3.13Å; T46-L49 PolarHBondContact O-N 2.88Å; T46-E50 WeakPolarHBondContact O-CB 3.16Å; T46-E50 PolarHBondContact O-N 3.31Å
47	L	86.6	Confident	83.2	Confident	90 Å²	90	77.7 Å²	77.7	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.5	-71.1	177	0	0	0	112.4	H43 Q44 L49 E50 C51	H43-L47 WeakPolarHBondContact NE2-CD1 3.48Å; H43-L47 WeakPolarHBondContact O-CG 3.39Å; H43-L47 PolarHBondContact O-N 2.84Å; Q44-L47 PolarHBondContact O-N 2.97Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-E50 PolarHBondContact O-N 2.89Å; L47-C51 WeakPolarHBondContact O-CB 3.47Å; L47-C51 PolarHBondContact O-N 2.89Å
48	K	84.9	Confident	83.1	Confident	63 Å²	63	75.6 Å²	75.6	27%	0.274	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-44.5	178	-175.3	71.4	179.7	-179.9	0	110.1	D29 I33 F36 Q44 L45 C51 L52	D29-K48 WeakPolarHBondContact OD1-CE 3.46Å; D29-K48 IonicContact OD1-NZ 2.76Å; D29-K48 PolarHBondContact OD1-NZ 2.82Å; I33-K48 HydrophobicContact CG1-CG 4.31Å; F36-K48 HydrophobicContact CD2-CB 4.16Å; F36-K48 HydrophobicContact CD2-CG 4.44Å; F36-K48 HydrophobicContact CE2-CB 3.83Å; F36-K48 HydrophobicContact CE2-CD 4.45Å; F36-K48 HydrophobicContact CE2-CG 3.99Å; Q44-K48 VanDerWaalsContact O-CB 3.28Å; Q44-K48 WeakPolarHBondContact O-CB 3.31Å; Q44-K48 PolarHBondContact O-N 2.84Å; L45-K48 PolarHBondContact O-N 2.85Å; K48-C51 WeakPolarHBondContact O-CB 3.46Å; K48-C51 PolarHBondContact O-N 3.48Å; K48-L52 HydrophobicContact CG-CD1 4.11Å; K48-L52 WeakPolarHBondContact O-CD1 3.42Å; K48-L52 VanDerWaalsContact O-CG 3.26Å; K48-L52 WeakPolarHBondContact O-CG 3.31Å; K48-L52 PolarHBondContact O-N 3.1Å
49	L	83.4	Confident	82.9	Confident	21 Å²	21	79 Å²	79	11%	0.11	38%	0.379	C	S	.	.	H	α-helix	trans	-62.1	-48	176.1	-177	61	0	0	0	111.1	I33 L45 T46 L47 C51 L52 L53 F58 L67	I33-L49 HydrophobicContact CD1-CD1 4.43Å; L45-L49 VanDerWaalsContact O-CB 3.22Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.37Å; T46-L49 PolarHBondContact O-N 2.88Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L49-C51 VanDerWaalsContact C-N 3.28Å; L49-C51 PolarHBondContact O-N 3.28Å; L49-L52 CarbonylContact O-C 3.59Å; L49-L52 PolarHBondContact O-N 3.25Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L49-L53 HydrophobicContact CD1-CD1 4.41Å; L49-L53 HydrophobicContact CD1-CD2 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 4.01Å; L49-L53 HydrophobicContact CG-CG 4.24Å; L49-L53 WeakPolarHBondContact O-CB 3.18Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.96Å; L49-F58 HydrophobicContact CD1-CE1 4.23Å; L49-L67 HydrophobicContact CD1-CD2 3.3Å; L49-L67 HydrophobicContact CD2-CD2 3.41Å; L49-L67 VanDerWaalsContact CD2-CD2 3.41Å; L49-L67 HydrophobicContact CD2-CG 4.37Å; L49-L67 HydrophobicContact CG-CD2 3.98Å
50	E	82.9	Confident	82.4	Confident	96 Å²	96	78.1 Å²	78.1	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-56.8	-42.8	176.4	-168.6	-165.7	101.8	0	0	111.7	T46 L47 L52 L53 K54	T46-E50 WeakPolarHBondContact O-CB 3.16Å; T46-E50 PolarHBondContact O-N 3.31Å; L47-E50 PolarHBondContact O-N 2.89Å; E50-L52 PolarHBondContact O-N 3.29Å; E50-L53 CarbonylContact O-C 3.58Å; E50-L53 PolarHBondContact O-N 3.25Å; E50-K54 WeakPolarHBondContact O-CG 3.38Å; E50-K54 PolarHBondContact O-N 2.69Å; E50-K54 VanDerWaalsContact OE1-CE 3.28Å; E50-K54 WeakPolarHBondContact OE1-CE 3.38Å; E50-K54 IonicContact OE1-NZ 2.75Å; E50-K54 PolarHBondContact OE1-NZ 3.3Å
51	C	85.2	Confident	82.1	Confident	73 Å²	73	77 Å²	77	49%	0.493	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-46	175.1	-171.7	0	0	0	0	111.5	L47 K48 L49 L53 K54	L47-C51 WeakPolarHBondContact O-CB 3.47Å; L47-C51 PolarHBondContact O-N 2.89Å; K48-C51 WeakPolarHBondContact O-CB 3.46Å; K48-C51 PolarHBondContact O-N 3.48Å; L49-C51 VanDerWaalsContact C-N 3.28Å; L49-C51 PolarHBondContact O-N 3.28Å; C51-L53 VanDerWaalsContact C-N 3.34Å; C51-L53 PolarHBondContact O-N 2.96Å; C51-K54 WeakPolarHBondContact O-CB 3.18Å; C51-K54 PolarHBondContact O-N 3.1Å; C51-K54 VanDerWaalsContact O-N 3.09Å
52	L	83.9	Confident	81.4	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-37.8	177.9	-67.8	163.5	0	0	0	112.1	D29 I33 K48 L49 E50 K54 N55 F58	D29-L52 HydrophobicContact CB-CD1 3.79Å; D29-L52 HydrophobicContact CB-CD2 3.5Å; D29-L52 HydrophobicContact CB-CG 4.25Å; D29-L52 WeakPolarHBondContact OD1-CD2 3.07Å; I33-L52 HydrophobicContact CD1-CD1 3.47Å; I33-L52 VanDerWaalsContact CD1-CD1 3.47Å; I33-L52 HydrophobicContact CG1-CD1 4.15Å; K48-L52 HydrophobicContact CG-CD1 4.11Å; K48-L52 WeakPolarHBondContact O-CD1 3.42Å; K48-L52 VanDerWaalsContact O-CG 3.26Å; K48-L52 WeakPolarHBondContact O-CG 3.31Å; K48-L52 PolarHBondContact O-N 3.1Å; L49-L52 CarbonylContact O-C 3.59Å; L49-L52 PolarHBondContact O-N 3.25Å; L49-L52 VanDerWaalsContact O-N 3.07Å; E50-L52 PolarHBondContact O-N 3.29Å; L52-K54 PolarHBondContact O-N 2.7Å; L52-N55 WeakPolarHBondContact O-CA 3.45Å; L52-N55 VanDerWaalsContact O-CB 3.27Å; L52-N55 WeakPolarHBondContact O-CB 3.45Å; L52-N55 PolarHBondContact O-N 2.83Å; L52-F58 HydrophobicContact CB-CD1 3.6Å; L52-F58 HydrophobicContact CB-CD2 4.04Å; L52-F58 HydrophobicContact CB-CE1 3.57Å; L52-F58 HydrophobicContact CB-CE2 4.01Å; L52-F58 HydrophobicContact CB-CG 3.83Å; L52-F58 HydrophobicContact CB-CZ 3.79Å; L52-F58 HydrophobicContact CD1-CE1 4.48Å; L52-F58 HydrophobicContact CD1-CE2 4Å; L52-F58 HydrophobicContact CD1-CZ 3.91Å; L52-F58 HydrophobicContact CD2-CD2 4.06Å; L52-F58 HydrophobicContact CD2-CE2 4.16Å; L52-F58 HydrophobicContact CD2-CG 4.49Å; L52-F58 HydrophobicContact CG-CD2 4.47Å; L52-F58 HydrophobicContact CG-CE2 4.28Å; L52-F58 HydrophobicContact CG-CZ 4.34Å; L52-F58 VanDerWaalsContact O-CB 3.3Å; L52-F58 WeakPolarHBondContact O-CB 3.36Å; L52-F58 WeakPolarHBondContact O-CD1 3.2Å
53	L	81.4	Confident	80.9	Confident	26 Å²	26	75 Å²	75	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-68.9	-18.8	173.6	-62.5	173.1	0	0	0	112.7	L49 E50 C51 N55 F58 R59 L64	L49-L53 HydrophobicContact CD1-CD1 4.41Å; L49-L53 HydrophobicContact CD1-CD2 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 4.01Å; L49-L53 HydrophobicContact CG-CG 4.24Å; L49-L53 WeakPolarHBondContact O-CB 3.18Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.96Å; E50-L53 CarbonylContact O-C 3.58Å; E50-L53 PolarHBondContact O-N 3.25Å; C51-L53 VanDerWaalsContact C-N 3.34Å; C51-L53 PolarHBondContact O-N 2.96Å; L53-N55 PolarHBondContact O-N 3.37Å; L53-F58 HydrophobicContact CD2-CD1 4.08Å; L53-F58 HydrophobicContact CD2-CE1 4.09Å; L53-R59 HydrophobicContact CD2-CG 4.19Å; L53-R59 WeakPolarHBondContact O-CD 3.06Å; L53-R59 WeakPolarHBondContact O-CG 3.17Å; L53-R59 PolarHBondContact O-NE 3.2Å; L53-R59 PolarHBondContact O-NH2 2.76Å; L53-L64 HydrophobicContact CD1-CD1 3.89Å; L53-L64 HydrophobicContact CD1-CD2 3.54Å; L53-L64 HydrophobicContact CD1-CG 4.26Å; L53-L64 HydrophobicContact CD2-CD1 3.72Å; L53-L64 HydrophobicContact CD2-CD2 3.31Å; L53-L64 HydrophobicContact CD2-CG 3.61Å; L53-L64 HydrophobicContact CG-CD1 4.32Å; L53-L64 HydrophobicContact CG-CD2 3.92Å; L53-L64 HydrophobicContact CG-CG 4.5Å
54	K	81.2	Confident	80.2	Confident	133 Å²	133	71.1 Å²	71.1	58%	0.578	36%	0.363	S	S	*	.	H	α-helix	trans	-67.5	-21.2	168.6	-71.4	169	-173.2	167.8	0	111.2	E50 C51 L52 P56	E50-K54 WeakPolarHBondContact O-CG 3.38Å; E50-K54 PolarHBondContact O-N 2.69Å; E50-K54 VanDerWaalsContact OE1-CE 3.28Å; E50-K54 WeakPolarHBondContact OE1-CE 3.38Å; E50-K54 IonicContact OE1-NZ 2.75Å; E50-K54 PolarHBondContact OE1-NZ 3.3Å; C51-K54 WeakPolarHBondContact O-CB 3.18Å; C51-K54 PolarHBondContact O-N 3.1Å; C51-K54 VanDerWaalsContact O-N 3.09Å; L52-K54 PolarHBondContact O-N 2.7Å; K54-P56 WeakPolarHBondContact O-CD 3.46Å
55	N	82.5	Confident	79	Confident	70 Å²	70	72.7 Å²	72.7	37%	0.374	37%	0.373	S	S	.	.	S	Bend	trans	-83.3	117.1	175.8	-59.5	-45.9	0	0	0	111.1	L52 L53 E57 F58 R59	L52-N55 WeakPolarHBondContact O-CA 3.45Å; L52-N55 VanDerWaalsContact O-CB 3.27Å; L52-N55 WeakPolarHBondContact O-CB 3.45Å; L52-N55 PolarHBondContact O-N 2.83Å; L53-N55 PolarHBondContact O-N 3.37Å; N55-E57 VanDerWaalsContact C-N 3.26Å; N55-E57 PolarHBondContact O-N 3.37Å; N55-F58 HydrophobicContact CB-CB 4.02Å; N55-F58 PolarHBondContact O-N 2.83Å; N55-R59 PolarHBondContact O-N 3.37Å
56	P	81.9	Confident	78	Confident	93 Å²	93	74.8 Å²	74.8	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-65.1	-29.8	-179.7	25.7	-33.8	0	0	0	112.9	K54 R59 S60	K54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-R59 PolarHBondContact O-N 3.12Å; P56-S60 WeakPolarHBondContact O-CB 3.33Å; P56-S60 PolarHBondContact O-N 3.12Å; P56-S60 PolarHBondContact O-OG 3.47Å
57	E	82.7	Confident	77.2	Confident	142 Å²	142	72.3 Å²	72.3	66%	0.664	37%	0.369	S	S	*	.	H	α-helix	trans	-64.5	-42	174.4	-66.7	-171.9	89.8	0	0	111.7	F26 N55 S60 K61	F26-E57 HydrophobicContact CE2-CB 4.42Å; F26-E57 HydrophobicContact CZ-CB 3.96Å; N55-E57 VanDerWaalsContact C-N 3.26Å; N55-E57 PolarHBondContact O-N 3.37Å; E57-S60 PolarHBondContact O-N 3.06Å; E57-K61 PolarHBondContact O-N 3.33Å
58	F	80.4	Confident	76	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-69.2	-42.3	176.8	-176.1	-89	0	0	0	111.3	F26 W30 I33 L49 L52 L53 N55 S60 K61 T62	F26-F58 HydrophobicContact CB-CD2 4.21Å; F26-F58 HydrophobicContact CB-CE2 4.4Å; F26-F58 AromaticContact CD1-CD2 3.83Å; F26-F58 HydrophobicContact CD1-CD2 3.83Å; F26-F58 HydrophobicContact CD2-CD2 4.32Å; F26-F58 HydrophobicContact CE1-CB 4.15Å; F26-F58 HydrophobicContact CE1-CD2 4.27Å; F26-F58 AromaticContact CG-CD2 3.86Å; F26-F58 HydrophobicContact CG-CD2 3.86Å; F26-F58 HydrophobicContact CZ-CB 4.18Å; W30-F58 HydrophobicContact CD2-CE2 4.47Å; W30-F58 AromaticContact CE2-CE2 3.68Å; W30-F58 AromaticContact CE2-CZ 3.78Å; W30-F58 HydrophobicContact CH2-CZ 4.23Å; W30-F58 AromaticContact CZ2-CE2 3.95Å; W30-F58 HydrophobicContact CZ2-CE2 3.95Å; W30-F58 AromaticContact CZ2-CZ 3.63Å; W30-F58 HydrophobicContact CZ2-CZ 3.63Å; W30-F58 AromaticContact NE1-CE2 3.41Å; I33-F58 HydrophobicContact CD1-CZ 4.39Å; L49-F58 HydrophobicContact CD1-CE1 4.23Å; L52-F58 HydrophobicContact CB-CD1 3.6Å; L52-F58 HydrophobicContact CB-CD2 4.04Å; L52-F58 HydrophobicContact CB-CE1 3.57Å; L52-F58 HydrophobicContact CB-CE2 4.01Å; L52-F58 HydrophobicContact CB-CG 3.83Å; L52-F58 HydrophobicContact CB-CZ 3.79Å; L52-F58 HydrophobicContact CD1-CE1 4.48Å; L52-F58 HydrophobicContact CD1-CE2 4Å; L52-F58 HydrophobicContact CD1-CZ 3.91Å; L52-F58 HydrophobicContact CD2-CD2 4.06Å; L52-F58 HydrophobicContact CD2-CE2 4.16Å; L52-F58 HydrophobicContact CD2-CG 4.49Å; L52-F58 HydrophobicContact CG-CD2 4.47Å; L52-F58 HydrophobicContact CG-CE2 4.28Å; L52-F58 HydrophobicContact CG-CZ 4.34Å; L52-F58 VanDerWaalsContact O-CB 3.3Å; L52-F58 WeakPolarHBondContact O-CB 3.36Å; L52-F58 WeakPolarHBondContact O-CD1 3.2Å; L53-F58 HydrophobicContact CD2-CD1 4.08Å; L53-F58 HydrophobicContact CD2-CE1 4.09Å; N55-F58 HydrophobicContact CB-CB 4.02Å; N55-F58 PolarHBondContact O-N 2.83Å; F58-S60 VanDerWaalsContact C-N 3.27Å; F58-S60 PolarHBondContact O-N 3.05Å; F58-K61 CarbonylContact O-C 3.57Å; F58-K61 PolarHBondContact O-N 3.29Å; F58-K61 VanDerWaalsContact O-N 3.11Å; F58-T62 WeakPolarHBondContact CD1-OG1 3.09Å; F58-T62 HydrophobicContact CE1-CG2 3.76Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.42Å; F58-T62 HydrophobicContact CZ-CG2 4.1Å; F58-T62 VanDerWaalsContact CZ-OG1 3.31Å; F58-T62 WeakPolarHBondContact CZ-OG1 3.23Å; F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 PolarHBondContact O-N 3.06Å; F58-T62 PolarHBondContact O-OG1 3.01Å
59	R	77	Confident	74.7	Confident	147 Å²	147	73 Å²	73	56%	0.555	39%	0.386	S	S	*	.	H	α-helix	trans	-56.4	-42.3	173.7	-76.8	-169.8	-178.5	162.3	15.8	112.2	L53 N55 P56 K61 T62	L53-R59 HydrophobicContact CD2-CG 4.19Å; L53-R59 WeakPolarHBondContact O-CD 3.06Å; L53-R59 WeakPolarHBondContact O-CG 3.17Å; L53-R59 PolarHBondContact O-NE 3.2Å; L53-R59 PolarHBondContact O-NH2 2.76Å; N55-R59 PolarHBondContact O-N 3.37Å; P56-R59 PolarHBondContact O-N 3.12Å; R59-K61 PolarHBondContact O-N 3.44Å; R59-T62 PolarHBondContact O-N 3.25Å; R59-T62 VanDerWaalsContact O-O 3.1Å
60	S	76.3	Confident	73.5	Confident	107 Å²	107	73.3 Å²	73.3	75%	0.748	39%	0.388	S	S	*	.	H	α-helix	trans	-63.9	-31.8	179.6	-58.7	0	0	0	0	112.2	P56 E57 F58	P56-S60 WeakPolarHBondContact O-CB 3.33Å; P56-S60 PolarHBondContact O-N 3.12Å; P56-S60 PolarHBondContact O-OG 3.47Å; E57-S60 PolarHBondContact O-N 3.06Å; F58-S60 VanDerWaalsContact C-N 3.27Å; F58-S60 PolarHBondContact O-N 3.05Å
61	K	74	Confident	72.6	Confident	125 Å²	125	70 Å²	70	54%	0.543	37%	0.372	S	S	.	.	H	α-helix	trans	-90.2	-15.4	178.1	-67.4	-169.9	175.4	-168	0	114.3	F26 E57 F58 R59	F26-K61 HydrophobicContact CD2-CD 4.28Å; F26-K61 HydrophobicContact CE2-CD 4.2Å; E57-K61 PolarHBondContact O-N 3.33Å; F58-K61 CarbonylContact O-C 3.57Å; F58-K61 PolarHBondContact O-N 3.29Å; F58-K61 VanDerWaalsContact O-N 3.11Å; R59-K61 PolarHBondContact O-N 3.44Å
62	T	69.3	Low	71.2	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.043	37%	0.368	C	S	.	.			trans	-117.4	114.9	-169.9	-52.8	0	0	0	0	111.4	W30 F58 R59 L64 L67	W30-T62 HydrophobicContact CH2-CG2 3.62Å; W30-T62 HydrophobicContact CZ2-CG2 3.7Å; W30-T62 WeakPolarHBondContact CZ2-OG1 3.28Å; F58-T62 WeakPolarHBondContact CD1-OG1 3.09Å; F58-T62 HydrophobicContact CE1-CG2 3.76Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.42Å; F58-T62 HydrophobicContact CZ-CG2 4.1Å; F58-T62 VanDerWaalsContact CZ-OG1 3.31Å; F58-T62 WeakPolarHBondContact CZ-OG1 3.23Å; F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 PolarHBondContact O-N 3.06Å; F58-T62 PolarHBondContact O-OG1 3.01Å; R59-T62 PolarHBondContact O-N 3.25Å; R59-T62 VanDerWaalsContact O-O 3.1Å; T62-L64 PolarHBondContact O-N 3.2Å; T62-L64 VanDerWaalsContact O-N 3.12Å; T62-L67 HydrophobicContact CG2-CD2 4.5Å
63	N	71.4	Confident	69.6	Low	88 Å²	88	71.9 Å²	71.9	47%	0.471	39%	0.392	S	S	.	.			trans	-80.1	96.5	172.9	-168	-15.9	0	0	0	110.7	I65 L66 L67	N63-I65 PolarHBondContact O-N 3.4Å; N63-I65 WeakPolarHBondContact OD1-CB 3.15Å; N63-I65 PolarHBondContact OD1-N 3.48Å; N63-L66 HydrophobicContact CB-CB 4.27Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 2.96Å; N63-L66 VanDerWaalsContact O-N 3.12Å; N63-L67 PolarHBondContact O-N 2.84Å; N63-L67 VanDerWaalsContact O-N 3.15Å
64	L	64.2	Low	68.2	Low	61 Å²	61	75.4 Å²	75.4	32%	0.319	41%	0.411	S	S	.	.	H	α-helix	trans	-56	-31.8	178.6	-83.1	-176.7	0	0	0	115.5	L53 T62 L66 L67 S68	L53-L64 HydrophobicContact CD1-CD1 3.89Å; L53-L64 HydrophobicContact CD1-CD2 3.54Å; L53-L64 HydrophobicContact CD1-CG 4.26Å; L53-L64 HydrophobicContact CD2-CD1 3.72Å; L53-L64 HydrophobicContact CD2-CD2 3.31Å; L53-L64 HydrophobicContact CD2-CG 3.61Å; L53-L64 HydrophobicContact CG-CD1 4.32Å; L53-L64 HydrophobicContact CG-CD2 3.92Å; L53-L64 HydrophobicContact CG-CG 4.5Å; T62-L64 PolarHBondContact O-N 3.2Å; T62-L64 VanDerWaalsContact O-N 3.12Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L67 HydrophobicContact CD2-CD2 4.34Å; L64-L67 PolarHBondContact O-N 2.8Å; L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 2.72Å; L64-S68 PolarHBondContact O-OG 2.76Å
65	I	62.1	Low	66.9	Low	124 Å²	124	74.1 Å²	74.1	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-65.3	-44.2	-179.9	-60	170.3	0	0	0	108.6	N63 S68 T69	N63-I65 PolarHBondContact O-N 3.4Å; N63-I65 WeakPolarHBondContact OD1-CB 3.15Å; N63-I65 PolarHBondContact OD1-N 3.48Å; I65-S68 PolarHBondContact O-N 2.89Å; I65-T69 WeakPolarHBondContact O-CB 3.4Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 PolarHBondContact O-OG1 2.91Å
66	L	63.3	Low	65.4	Low	48 Å²	48	76.9 Å²	76.9	25%	0.251	42%	0.42	S	S	.	.	H	α-helix	trans	-66.3	-41.2	178	-171.4	61.1	0	0	0	110.9	Y15 N63 L64 T69 N70	Y15-L66 HydrophobicContact CD2-CD2 4.27Å; Y15-L66 HydrophobicContact CE2-CD2 3.38Å; Y15-L66 HydrophobicContact CE2-CG 4.06Å; N63-L66 HydrophobicContact CB-CB 4.27Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 2.96Å; N63-L66 VanDerWaalsContact O-N 3.12Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L66-T69 PolarHBondContact O-N 3.33Å; L66-N70 WeakPolarHBondContact CD1-ND2 3.18Å; L66-N70 WeakPolarHBondContact CG-ND2 3.17Å; L66-N70 WeakPolarHBondContact O-CB 3.41Å; L66-N70 PolarHBondContact O-N 3.41Å; L66-N70 PolarHBondContact O-ND2 3.02Å
67	L	65.6	Low	63.8	Low	2 Å²	2	80.5 Å²	80.5	1%	0.01	43%	0.426	C	S	.	.	H	α-helix	trans	-63.8	-45	178.5	-166.8	67.2	0	0	0	112.1	Y15 L16 W30 L49 T62 N63 L64 T69 N70 F71	Y15-L67 HydrophobicContact CE1-CD1 4.03Å; L16-L67 HydrophobicContact CD2-CD1 4.42Å; W30-L67 HydrophobicContact CZ3-CD1 4.26Å; L49-L67 HydrophobicContact CD1-CD2 3.3Å; L49-L67 HydrophobicContact CD2-CD2 3.41Å; L49-L67 VanDerWaalsContact CD2-CD2 3.41Å; L49-L67 HydrophobicContact CD2-CG 4.37Å; L49-L67 HydrophobicContact CG-CD2 3.98Å; T62-L67 HydrophobicContact CG2-CD2 4.5Å; N63-L67 PolarHBondContact O-N 2.84Å; N63-L67 VanDerWaalsContact O-N 3.15Å; L64-L67 HydrophobicContact CD2-CD2 4.34Å; L64-L67 PolarHBondContact O-N 2.8Å; L67-T69 PolarHBondContact O-N 3.37Å; L67-N70 PolarHBondContact O-N 3.38Å; L67-F71 HydrophobicContact CD1-CD2 3.91Å; L67-F71 HydrophobicContact CD1-CE2 3.26Å; L67-F71 HydrophobicContact CD1-CZ 3.99Å; L67-F71 HydrophobicContact CD2-CE2 3.94Å; L67-F71 HydrophobicContact CG-CD2 3.68Å; L67-F71 HydrophobicContact CG-CE2 3.34Å; L67-F71 HydrophobicContact CG-CZ 4.47Å; L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3.38Å
68	S	61.5	Low	62.2	Low	87 Å²	87	78 Å²	78	61%	0.608	42%	0.424	S	S	*	.	H	α-helix	trans	-67	-26.6	176.4	-51.3	0	0	0	0	112.7	L64 I65 F71	L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 2.72Å; L64-S68 PolarHBondContact O-OG 2.76Å; I65-S68 PolarHBondContact O-N 2.89Å; S68-F71 VanDerWaalsContact O-O 3.12Å
69	T	57.9	Low	60.5	Low	80 Å²	80	82 Å²	82	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-77.2	-33.9	175	-54.7	0	0	0	0	111.5	W5 I65 L66 L67	W5-T69 HydrophobicContact CZ3-CG2 4.49Å; I65-T69 WeakPolarHBondContact O-CB 3.4Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 PolarHBondContact O-OG1 2.91Å; L66-T69 PolarHBondContact O-N 3.33Å; L67-T69 PolarHBondContact O-N 3.37Å
70	N	59.8	Low	59	Low	28 Å²	28	83.2 Å²	83.2	15%	0.15	46%	0.46	C	S	.	.	H	α-helix	trans	-87.8	-26.3	-178	-77	-73.1	0	0	0	114	A12 L66 L67 P72	A12-N70 HydrophobicContact CB-CB 4.1Å; A12-N70 WeakPolarHBondContact CB-O 3.36Å; L66-N70 WeakPolarHBondContact CD1-ND2 3.18Å; L66-N70 WeakPolarHBondContact CG-ND2 3.17Å; L66-N70 WeakPolarHBondContact O-CB 3.41Å; L66-N70 PolarHBondContact O-N 3.41Å; L66-N70 PolarHBondContact O-ND2 3.02Å; L67-N70 PolarHBondContact O-N 3.38Å; N70-P72 WeakPolarHBondContact O-CD 3.12Å
71	F	63.2	Low	57.3	Low	27 Å²	27	83.1 Å²	83.1	12%	0.118	46%	0.46	C	S	.	.	S	Bend	trans	-77.2	102.8	162.6	-71.3	-62.9	0	0	0	106.7	I33 Y37 W42 L45 L67 S68 G73	I33-F71 HydrophobicContact CG2-CZ 3.95Å; Y37-F71 AromaticContact CD2-CD1 3.54Å; Y37-F71 HydrophobicContact CD2-CD1 3.54Å; Y37-F71 AromaticContact CD2-CE1 3.29Å; Y37-F71 HydrophobicContact CD2-CE1 3.29Å; Y37-F71 AromaticContact CE2-CD1 3.72Å; Y37-F71 HydrophobicContact CE2-CD1 3.72Å; Y37-F71 AromaticContact CE2-CE1 3.91Å; Y37-F71 HydrophobicContact CE2-CE1 3.91Å; Y37-F71 AromaticContact CG-CE1 3.9Å; Y37-F71 HydrophobicContact CG-CE1 3.9Å; W42-F71 AromaticContact CZ3-CD1 3.92Å; W42-F71 HydrophobicContact CZ3-CD1 3.92Å; L45-F71 HydrophobicContact CD1-CD1 4.39Å; L45-F71 HydrophobicContact CD1-CE1 3.43Å; L45-F71 VanDerWaalsContact CD1-CE1 3.43Å; L45-F71 HydrophobicContact CD1-CZ 3.63Å; L45-F71 HydrophobicContact CD2-CD1 4.26Å; L45-F71 HydrophobicContact CD2-CD2 4.41Å; L45-F71 HydrophobicContact CD2-CE1 3.79Å; L45-F71 HydrophobicContact CD2-CE2 3.91Å; L45-F71 HydrophobicContact CD2-CZ 3.63Å; L45-F71 HydrophobicContact CG-CE1 4.21Å; L45-F71 HydrophobicContact CG-CZ 4.09Å; L67-F71 HydrophobicContact CD1-CD2 3.91Å; L67-F71 HydrophobicContact CD1-CE2 3.26Å; L67-F71 HydrophobicContact CD1-CZ 3.99Å; L67-F71 HydrophobicContact CD2-CE2 3.94Å; L67-F71 HydrophobicContact CG-CD2 3.68Å; L67-F71 HydrophobicContact CG-CE2 3.34Å; L67-F71 HydrophobicContact CG-CZ 4.47Å; L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3.38Å; S68-F71 VanDerWaalsContact O-O 3.12Å; F71-G73 PolarHBondContact O-N 2.91Å
72	P	55.4	Low	55.8	Low	62 Å²	62	88.1 Å²	88.1	40%	0.403	49%	0.491	S	S	.	.			trans	-52	147.2	-177.6	21.3	-32.6	0	0	0	110.2	N70 D74	N70-P72 WeakPolarHBondContact O-CD 3.12Å; P72-D74 PolarHBondContact O-N 2.79Å
73	G	51.4	Low	55.1	Low	52 Å²	52	92.2 Å²	92.2	54%	0.536	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	12.7	177.1	0	0	0	0	0	115.8	F71 F75 I76	F71-G73 PolarHBondContact O-N 2.91Å; G73-F75 PolarHBondContact O-N 3.07Å; G73-F75 VanDerWaalsContact O-N 3.13Å; G73-I76 WeakPolarHBondContact O-CB 3.37Å; G73-I76 PolarHBondContact O-N 2.97Å
74	D	50.5	Low	54.3	Low	100 Å²	100	92.4 Å²	92.4	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-52.2	-25.7	166	-120.7	-82.3	0	0	0	112	P72 I76 K77 S78	P72-D74 PolarHBondContact O-N 2.79Å; D74-I76 VanDerWaalsContact C-N 3.29Å; D74-I76 PolarHBondContact O-N 2.93Å; D74-K77 PolarHBondContact O-N 2.9Å; D74-K77 VanDerWaalsContact O-N 3.13Å; D74-S78 PolarHBondContact O-N 2.9Å
75	F	54.7	Low	53.7	Low	107 Å²	107	94.2 Å²	94.2	47%	0.469	53%	0.527	S	S	.	.	H	α-helix	trans	-56.1	-42	170.4	-171.9	-98.3	0	0	0	112.4	G73 K77 S78 T79	G73-F75 PolarHBondContact O-N 3.07Å; G73-F75 VanDerWaalsContact O-N 3.13Å; F75-K77 VanDerWaalsContact C-N 3.25Å; F75-K77 PolarHBondContact O-N 2.94Å; F75-S78 PolarHBondContact O-N 2.95Å; F75-T79 PolarHBondContact O-N 3.04Å; F75-T79 PolarHBondContact O-OG1 2.61Å
76	I	51.4	Low	53.2	Low	128 Å²	128	92.4 Å²	92.4	66%	0.656	52%	0.52	S	S	*	.	H	α-helix	trans	-66.2	-31.3	-179.6	-58.1	174.2	0	0	0	110.6	G73 D74	G73-I76 WeakPolarHBondContact O-CB 3.37Å; G73-I76 PolarHBondContact O-N 2.97Å; D74-I76 VanDerWaalsContact C-N 3.29Å; D74-I76 PolarHBondContact O-N 2.93Å
77	K	47.7	Very low	52.6	Low	168 Å²	168	95.2 Å²	95.2	73%	0.73	54%	0.537	S	S	*	.	H	α-helix	trans	-74.8	-29.4	-178.9	-162	176.4	179.3	-172.7	0	112.8	D74 F75	D74-K77 PolarHBondContact O-N 2.9Å; D74-K77 VanDerWaalsContact O-N 3.13Å; F75-K77 VanDerWaalsContact C-N 3.25Å; F75-K77 PolarHBondContact O-N 2.94Å
78	S	48.3	Very low	51.7	Low	89 Å²	89	101.4 Å²	101.4	62%	0.622	57%	0.572	S	S	*	*	H	α-helix	trans	-85.6	-32.9	-179.1	-162.5	0	0	0	0	113.4	D74 F75 H80 S81	D74-S78 PolarHBondContact O-N 2.9Å; F75-S78 PolarHBondContact O-N 2.95Å; S78-H80 VanDerWaalsContact C-N 3.25Å; S78-H80 PolarHBondContact O-N 3.4Å; S78-S81 PolarHBondContact O-N 2.85Å
79	T	46	Very low	51	Low	86 Å²	86	102.4 Å²	102.4	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-71.9	-19.4	176.7	-3.1	0	0	0	0	113.3	F75 S81	F75-T79 PolarHBondContact O-N 3.04Å; F75-T79 PolarHBondContact O-OG1 2.61Å; T79-S81 VanDerWaalsContact C-N 3.33Å
80	H	44.9	Very low	50.5	Low	172 Å²	172	104.2 Å²	104.2	80%	0.796	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	29.8	177.3	-153.9	-86.7	0	0	0	113.3	S78	S78-H80 VanDerWaalsContact C-N 3.25Å; S78-H80 PolarHBondContact O-N 3.4Å
81	S	40.2	Very low	49.7	Very low	105 Å²	105	110.5 Å²	110.5	73%	0.734	61%	0.611	S	S	*	*			trans	-133.3	47.9	164.8	-173.5	0	0	0	0	110.5	S78 T79	S78-S81 PolarHBondContact O-N 2.85Å; T79-S81 VanDerWaalsContact C-N 3.33Å
82	L	42.9	Very low	48.5	Very low	230 Å²	230	118.1 Å²	118.1	100%	1.204	66%	0.656	S	S	*	*			trans	-110.3	0	156.6	-91	163.8	0	0	0	108.4

Retrieved 82 of 82 residues in 47.1 ms (Link to these results)

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