A0A093H252_STRCA Loading...

Tumor necrosis factor alpha-induced protein 8-like protein 1

AlphaFold DB , UniProt , Accession A0A093H252, Species STRCA (Struthio camelus australis), Gene n/a, Length 186 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	73	Confident	236 Å²	236	119.6 Å²	119.6	100%	1.163	65%	0.647	S	S	*	*				0	111.2	0	-80	179.1	175	0	0	107.3	T3	M1-T3 PolarHBondContact O-N 3.01Å; M1-T3 VanDerWaalsContact O-N 3.14Å
2	D	53.7	Low	73.5	Confident	167 Å²	167	119.8 Å²	119.8	89%	0.893	64%	0.64	S	S	*	*			trans	-62.6	113.9	174.5	-79.9	-44.6	0	0	0	109.2	F4	D2-F4 VanDerWaalsContact C-N 3.26Å; D2-F4 PolarHBondContact O-N 3.46Å
3	T	63.5	Low	73.6	Confident	139 Å²	139	114.5 Å²	114.5	85%	0.853	62%	0.623	S	S	*	*			trans	-79.5	82.5	178.8	-5.8	0	0	0	0	107.9	M1 S5	M1-T3 PolarHBondContact O-N 3.01Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-S5 PolarHBondContact O-N 3.41Å; T3-S5 VanDerWaalsContact O-N 3.11Å
4	F	75	Confident	73	Confident	158 Å²	158	114.1 Å²	114.1	69%	0.693	62%	0.615	S	S	*	*			trans	-57	116.9	171.2	178.4	-96.3	0	0	0	109.1	D2 T6 L9	D2-F4 VanDerWaalsContact C-N 3.26Å; D2-F4 PolarHBondContact O-N 3.46Å; F4-T6 HydrophobicContact CD1-CG2 4.41Å; F4-T6 HydrophobicContact CE1-CG2 3.63Å; F4-T6 HydrophobicContact CZ-CG2 4.37Å; F4-L9 HydrophobicContact CD2-CD1 3.9Å; F4-L9 HydrophobicContact CE1-CD1 4.42Å; F4-L9 HydrophobicContact CE2-CD1 3.13Å; F4-L9 HydrophobicContact CZ-CD1 3.46Å; F4-L9 VanDerWaalsContact CZ-CD1 3.46Å
5	S	81.4	Confident	73	Confident	47 Å²	47	116.7 Å²	116.7	33%	0.329	62%	0.619	S	S	.	*			trans	-117	109.2	178.3	-176.5	0	0	0	0	109.8	T3 K7 T8 L9	T3-S5 PolarHBondContact O-N 3.41Å; T3-S5 VanDerWaalsContact O-N 3.11Å; S5-K7 PolarHBondContact O-N 2.88Å; S5-K7 PolarHBondContact OG-N 3.47Å; S5-T8 WeakPolarHBondContact CB-OG1 3.3Å; S5-T8 PolarHBondContact O-N 3.19Å; S5-L9 PolarHBondContact O-N 3.19Å
6	T	81.4	Confident	72.8	Confident	104 Å²	104	118 Å²	118	64%	0.638	62%	0.617	S	S	*	*	H	α-helix	trans	-54.8	-30.4	170.7	41.2	0	0	0	0	112	F4 L9 A10	F4-T6 HydrophobicContact CD1-CG2 4.41Å; F4-T6 HydrophobicContact CE1-CG2 3.63Å; F4-T6 HydrophobicContact CZ-CG2 4.37Å; T6-L9 PolarHBondContact O-N 3.49Å; T6-A10 VanDerWaalsContact O-CB 3.3Å; T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.05Å
7	K	79.9	Confident	72.1	Confident	156 Å²	156	117.6 Å²	117.6	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-64.8	-42.5	175.3	-167.2	176.3	-178.1	178.7	0	112.1	S5 L11	S5-K7 PolarHBondContact O-N 2.88Å; S5-K7 PolarHBondContact OG-N 3.47Å; K7-L11 HydrophobicContact CG-CD1 4.4Å; K7-L11 WeakPolarHBondContact O-CB 3.28Å; K7-L11 VanDerWaalsContact O-CG 3.28Å; K7-L11 WeakPolarHBondContact O-CG 3.44Å; K7-L11 PolarHBondContact O-N 2.94Å
8	T	83.6	Confident	71.3	Confident	76 Å²	76	116.7 Å²	116.7	47%	0.466	61%	0.61	S	S	.	*	H	α-helix	trans	-68.2	-40.8	178.1	-51	0	0	0	0	111.3	S5 L11 Q12	S5-T8 WeakPolarHBondContact CB-OG1 3.3Å; S5-T8 PolarHBondContact O-N 3.19Å; T8-L11 PolarHBondContact O-N 3.14Å; T8-Q12 WeakPolarHBondContact O-CB 3.41Å; T8-Q12 VanDerWaalsContact O-CG 3.31Å; T8-Q12 WeakPolarHBondContact O-CG 3.39Å; T8-Q12 PolarHBondContact O-N 2.74Å
9	L	80.8	Confident	70.7	Confident	86 Å²	86	114.5 Å²	114.5	45%	0.45	61%	0.606	S	S	.	*	H	α-helix	trans	-63.4	-45.1	174.2	-97.4	136.8	0	0	0	112.7	F4 S5 T6 L11 Q12 A13	F4-L9 HydrophobicContact CD2-CD1 3.9Å; F4-L9 HydrophobicContact CE1-CD1 4.42Å; F4-L9 HydrophobicContact CE2-CD1 3.13Å; F4-L9 HydrophobicContact CZ-CD1 3.46Å; F4-L9 VanDerWaalsContact CZ-CD1 3.46Å; S5-L9 PolarHBondContact O-N 3.19Å; T6-L9 PolarHBondContact O-N 3.49Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.17Å; L9-Q12 PolarHBondContact O-N 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.28Å
10	A	77.3	Confident	70.1	Confident	60 Å²	60	115.7 Å²	115.7	50%	0.496	61%	0.606	S	S	.	*	H	α-helix	trans	-61.8	-41.6	176.2	0	0	0	0	0	111.7	T6 A13 Q14	T6-A10 VanDerWaalsContact O-CB 3.3Å; T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.05Å; A10-A13 PolarHBondContact O-N 3.11Å; A10-Q14 WeakPolarHBondContact O-CB 3.5Å; A10-Q14 PolarHBondContact O-N 3.46Å
11	L	80.3	Confident	69.3	Low	87 Å²	87	114.3 Å²	114.3	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-65.5	-38.3	175.6	-75.7	169.1	0	0	0	112.6	K7 T8 L9 Q14 K15	K7-L11 HydrophobicContact CG-CD1 4.4Å; K7-L11 WeakPolarHBondContact O-CB 3.28Å; K7-L11 VanDerWaalsContact O-CG 3.28Å; K7-L11 WeakPolarHBondContact O-CG 3.44Å; K7-L11 PolarHBondContact O-N 2.94Å; T8-L11 PolarHBondContact O-N 3.14Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.17Å; L11-Q14 PolarHBondContact O-N 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.48Å; L11-K15 WeakPolarHBondContact O-CG 3.33Å; L11-K15 PolarHBondContact O-N 3.29Å
12	Q	79.7	Confident	69.6	Low	121 Å²	121	107 Å²	107	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-66.6	-43.2	174.9	-76.1	175.1	-14.9	0	0	111.5	T8 L9 K15 K16	T8-Q12 WeakPolarHBondContact O-CB 3.41Å; T8-Q12 VanDerWaalsContact O-CG 3.31Å; T8-Q12 WeakPolarHBondContact O-CG 3.39Å; T8-Q12 PolarHBondContact O-N 2.74Å; L9-Q12 PolarHBondContact O-N 3.28Å; Q12-K15 PolarHBondContact O-N 3.19Å; Q12-K16 WeakPolarHBondContact O-CB 3.4Å; Q12-K16 PolarHBondContact O-N 3.18Å
13	A	75	Confident	69.5	Low	51 Å²	51	100.9 Å²	100.9	42%	0.421	55%	0.545	S	S	.	.	H	α-helix	trans	-61.9	-44	174.6	0	0	0	0	0	111.5	L9 A10 K16 L17	L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.28Å; A10-A13 PolarHBondContact O-N 3.11Å; A13-K16 PolarHBondContact O-N 3.24Å; A13-L17 PolarHBondContact O-N 2.83Å
14	Q	64.5	Low	68.9	Low	109 Å²	109	103 Å²	103	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-46	176	-170.3	-177.8	11.4	0	0	111.9	A10 L11 K16 L17 L18	A10-Q14 WeakPolarHBondContact O-CB 3.5Å; A10-Q14 PolarHBondContact O-N 3.46Å; L11-Q14 PolarHBondContact O-N 3.27Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 3.17Å; Q14-L17 PolarHBondContact O-N 2.61Å; Q14-L18 HydrophobicContact CG-CD1 4.13Å; Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 3.21Å
15	K	72.8	Confident	67.7	Low	154 Å²	154	99.2 Å²	99.2	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-60.2	-40.5	175.2	-80.4	-178	178.5	-178.2	0	112.1	L11 Q12 L18 S19	L11-K15 WeakPolarHBondContact O-CB 3.48Å; L11-K15 WeakPolarHBondContact O-CG 3.33Å; L11-K15 PolarHBondContact O-N 3.29Å; Q12-K15 PolarHBondContact O-N 3.19Å; K15-L18 PolarHBondContact O-N 3Å; K15-S19 WeakPolarHBondContact O-CB 3.29Å; K15-S19 PolarHBondContact O-N 3.38Å; K15-S19 PolarHBondContact O-OG 2.73Å
16	K	70.9	Confident	66.2	Low	137 Å²	137	97.9 Å²	97.9	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-69.6	-33.6	178.9	-166.4	173.2	-175.7	177	0	112.4	Q12 A13 Q14 S19 K20	Q12-K16 WeakPolarHBondContact O-CB 3.4Å; Q12-K16 PolarHBondContact O-N 3.18Å; A13-K16 PolarHBondContact O-N 3.24Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 3.17Å; K16-S19 PolarHBondContact O-OG 2.81Å; K16-S19 VanDerWaalsContact O-OG 3.1Å; K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 WeakPolarHBondContact O-CG 3.44Å; K16-K20 PolarHBondContact O-N 3.02Å
17	L	60.6	Low	64.7	Low	111 Å²	111	94.7 Å²	94.7	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-68.8	-49.6	171.5	-82.9	161.7	0	0	0	111.2	A13 Q14 S19 K20 M21	A13-L17 PolarHBondContact O-N 2.83Å; Q14-L17 PolarHBondContact O-N 2.61Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.07Å; L17-K20 PolarHBondContact O-N 3.15Å; L17-K20 VanDerWaalsContact O-N 3.15Å; L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.44Å; L17-M21 PolarHBondContact O-N 3.34Å
18	L	57.4	Low	63.3	Low	101 Å²	101	91.9 Å²	91.9	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-40	178.5	-71	170.6	0	0	0	112.4	Q14 K15 M21 A22	Q14-L18 HydrophobicContact CG-CD1 4.13Å; Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 3.21Å; K15-L18 PolarHBondContact O-N 3Å; L18-M21 PolarHBondContact O-N 2.98Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.05Å
19	S	59.5	Low	61.9	Low	76 Å²	76	92.6 Å²	92.6	53%	0.531	50%	0.502	S	S	.	.	H	α-helix	trans	-69.4	-32.1	177	67.7	0	0	0	0	113	K15 K16 L17 S23	K15-S19 WeakPolarHBondContact O-CB 3.29Å; K15-S19 PolarHBondContact O-N 3.38Å; K15-S19 PolarHBondContact O-OG 2.73Å; K16-S19 PolarHBondContact O-OG 2.81Å; K16-S19 VanDerWaalsContact O-OG 3.1Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.07Å; S19-S23 PolarHBondContact O-N 2.86Å
20	K	58.3	Low	60.6	Low	138 Å²	138	90.3 Å²	90.3	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-73.4	-38.7	172.3	-78	-176.2	174.5	-167.1	0	112.7	K16 L17 A22 S23	K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 WeakPolarHBondContact O-CG 3.44Å; K16-K20 PolarHBondContact O-N 3.02Å; L17-K20 PolarHBondContact O-N 3.15Å; L17-K20 VanDerWaalsContact O-N 3.15Å; K20-A22 VanDerWaalsContact C-N 3.26Å; K20-A22 PolarHBondContact O-N 2.99Å; K20-S23 WeakPolarHBondContact O-CB 3.33Å; K20-S23 PolarHBondContact O-N 3.45Å; K20-S23 VanDerWaalsContact O-N 3.16Å; K20-S23 PolarHBondContact O-OG 3.48Å
21	M	54.3	Low	59.6	Low	86 Å²	86	92.6 Å²	92.6	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-30.8	174	-70.1	178.4	80.5	0	0	112.1	L17 L18 S23 I26	L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.44Å; L17-M21 PolarHBondContact O-N 3.34Å; L18-M21 PolarHBondContact O-N 2.98Å; M21-S23 VanDerWaalsContact C-N 3.32Å; M21-I26 WeakPolarHBondContact O-CD1 3.31Å
22	A	52.4	Low	59.2	Low	82 Å²	82	90.9 Å²	90.9	68%	0.678	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	6.3	174.4	0	0	0	0	0	114.1	L18 K20	L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.05Å; K20-A22 VanDerWaalsContact C-N 3.26Å; K20-A22 PolarHBondContact O-N 2.99Å
23	S	50.7	Low	59.3	Low	40 Å²	40	91 Å²	91	28%	0.28	49%	0.487	S	S	.	.			trans	-64.2	149.3	-172.3	64.6	0	0	0	0	114	S19 K20 M21 T25 I26 R75	S19-S23 PolarHBondContact O-N 2.86Å; K20-S23 WeakPolarHBondContact O-CB 3.33Å; K20-S23 PolarHBondContact O-N 3.45Å; K20-S23 VanDerWaalsContact O-N 3.16Å; K20-S23 PolarHBondContact O-OG 3.48Å; M21-S23 VanDerWaalsContact C-N 3.32Å; S23-T25 PolarHBondContact O-N 3.3Å; S23-I26 PolarHBondContact O-N 3.04Å; S23-R75 PolarHBondContact OG-NH1 3.16Å
24	K	50.4	Low	59.9	Low	184 Å²	184	89 Å²	89	80%	0.8	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.9	-28.7	-173.9	-72.5	178.3	171.5	-177.5	0	117.9	I26 A27 N28	K24-I26 PolarHBondContact O-N 3.42Å; K24-A27 WeakPolarHBondContact O-CB 3.49Å; K24-A27 PolarHBondContact O-N 2.79Å; K24-N28 PolarHBondContact O-N 2.85Å; K24-N28 PolarHBondContact O-OD1 3.41Å
25	T	49.8	Very low	60.9	Low	77 Å²	77	84.4 Å²	84.4	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-67.6	-33.5	-175.6	-38.1	0	0	0	0	114.4	S23 A27 N28	S23-T25 PolarHBondContact O-N 3.3Å; T25-A27 VanDerWaalsContact C-N 3.25Å; T25-A27 PolarHBondContact O-N 3.17Å; T25-N28 WeakPolarHBondContact O-CB 3.41Å; T25-N28 PolarHBondContact O-N 3.18Å
26	I	49.8	Very low	61.8	Low	20 Å²	20	79.3 Å²	79.3	10%	0.103	43%	0.433	C	S	.	.	H	α-helix	trans	-72.4	-27.3	178.8	-59.5	157.9	0	0	0	110.4	M21 S23 K24 N28 M68 V72	M21-I26 WeakPolarHBondContact O-CD1 3.31Å; S23-I26 PolarHBondContact O-N 3.04Å; K24-I26 PolarHBondContact O-N 3.42Å; I26-N28 VanDerWaalsContact C-N 3.31Å; I26-M68 HydrophobicContact CB-CE 4.29Å; I26-M68 HydrophobicContact CG2-CE 3.41Å; I26-M68 VanDerWaalsContact CG2-CE 3.41Å; I26-M68 HydrophobicContact CG2-SD 3.73Å; I26-V72 HydrophobicContact CD1-CG2 3.63Å; I26-V72 HydrophobicContact CG2-CG2 4.48Å
27	A	49.9	Very low	62.8	Low	37 Å²	37	78.8 Å²	78.8	31%	0.306	43%	0.433	S	S	.	.	H	α-helix	trans	-70.8	-28.8	175.2	0	0	0	0	0	111.7	K24 T25 V29 F30 I31	K24-A27 WeakPolarHBondContact O-CB 3.49Å; K24-A27 PolarHBondContact O-N 2.79Å; T25-A27 VanDerWaalsContact C-N 3.25Å; T25-A27 PolarHBondContact O-N 3.17Å; A27-V29 VanDerWaalsContact C-N 3.29Å; A27-V29 PolarHBondContact O-N 2.9Å; A27-F30 PolarHBondContact O-N 2.86Å; A27-F30 VanDerWaalsContact O-N 3.09Å; A27-I31 HydrophobicContact CB-CD1 3.41Å; A27-I31 VanDerWaalsContact CB-CD1 3.41Å; A27-I31 HydrophobicContact CB-CG1 4.34Å; A27-I31 WeakPolarHBondContact O-CB 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 WeakPolarHBondContact O-CG1 3.27Å; A27-I31 PolarHBondContact O-N 3.28Å
28	N	52.1	Low	64.4	Low	96 Å²	96	74.3 Å²	74.3	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-29	-176.9	-69.3	-2.3	0	0	0	114.3	K24 T25 I26 F30 I31	K24-N28 PolarHBondContact O-N 2.85Å; K24-N28 PolarHBondContact O-OD1 3.41Å; T25-N28 WeakPolarHBondContact O-CB 3.41Å; T25-N28 PolarHBondContact O-N 3.18Å; I26-N28 VanDerWaalsContact C-N 3.31Å; N28-F30 PolarHBondContact O-N 3.5Å; N28-I31 PolarHBondContact O-N 3.28Å
29	V	54.3	Low	66.3	Low	92 Å²	92	70.5 Å²	70.5	56%	0.558	39%	0.389	S	S	*	.	H	α-helix	trans	-67.9	-19.3	177.9	-179.8	0	0	0	0	112.5	A27	A27-V29 VanDerWaalsContact C-N 3.29Å; A27-V29 PolarHBondContact O-N 2.9Å
30	F	52.3	Low	68	Low	38 Å²	38	70.9 Å²	70.9	17%	0.167	39%	0.385	C	S	.	.	H	α-helix	trans	-118.1	0.4	177.4	-79.3	-65.1	0	0	0	113.8	A27 N28 S36 L39 I64 V67 M68	A27-F30 PolarHBondContact O-N 2.86Å; A27-F30 VanDerWaalsContact O-N 3.09Å; N28-F30 PolarHBondContact O-N 3.5Å; F30-S36 PolarHBondContact O-OG 2.91Å; F30-L39 HydrophobicContact CD1-CD1 3.72Å; F30-L39 HydrophobicContact CE1-CD1 3.8Å; F30-I64 HydrophobicContact CE1-CG1 4.41Å; F30-I64 HydrophobicContact CE2-CG2 4.31Å; F30-I64 HydrophobicContact CZ-CG1 4.49Å; F30-V67 HydrophobicContact CD2-CG1 4.36Å; F30-V67 HydrophobicContact CE1-CB 4.5Å; F30-V67 HydrophobicContact CE1-CG1 4.37Å; F30-V67 HydrophobicContact CE2-CB 3.43Å; F30-V67 VanDerWaalsContact CE2-CB 3.43Å; F30-V67 HydrophobicContact CE2-CG1 3.27Å; F30-V67 HydrophobicContact CE2-CG2 4.37Å; F30-V67 HydrophobicContact CZ-CB 3.26Å; F30-V67 HydrophobicContact CZ-CG1 3.31Å; F30-V67 HydrophobicContact CZ-CG2 3.71Å; F30-M68 HydrophobicContact CD2-CG 4.21Å; F30-M68 HydrophobicContact CD2-SD 3.78Å; F30-M68 HydrophobicContact CE2-CG 4.03Å; F30-M68 HydrophobicContact CE2-SD 4.14Å
31	I	56.6	Low	69.9	Low	107 Å²	107	64.8 Å²	64.8	55%	0.549	36%	0.359	S	S	.	.	H	α-helix	trans	-95.3	-8.7	178	-71.7	167.8	0	0	0	110.5	A27 N28 D33	A27-I31 HydrophobicContact CB-CD1 3.41Å; A27-I31 VanDerWaalsContact CB-CD1 3.41Å; A27-I31 HydrophobicContact CB-CG1 4.34Å; A27-I31 WeakPolarHBondContact O-CB 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 WeakPolarHBondContact O-CG1 3.27Å; A27-I31 PolarHBondContact O-N 3.28Å; N28-I31 PolarHBondContact O-N 3.28Å; I31-D33 PolarHBondContact O-N 2.91Å
32	D	72.5	Confident	72	Confident	51 Å²	51	62 Å²	62	27%	0.273	35%	0.346	S	S	.	.	S	Bend	trans	-66	137.1	169.7	87.6	79.1	0	0	0	109.9	T34 S35 S36	D32-T34 PolarHBondContact O-N 3.41Å; D32-T34 WeakPolarHBondContact OD1-CA 3.44Å; D32-T34 VanDerWaalsContact OD1-CB 3.22Å; D32-T34 WeakPolarHBondContact OD1-CB 3.43Å; D32-T34 PolarHBondContact OD1-N 3.27Å; D32-S35 PolarHBondContact O-N 2.95Å; D32-S35 PolarHBondContact OD1-N 2.9Å; D32-S35 PolarHBondContact OD1-OG 3.22Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-OG 2.94Å; D32-S36 PolarHBondContact O-N 2.98Å; D32-S36 PolarHBondContact O-OG 3.38Å
33	D	80.2	Confident	74.2	Confident	125 Å²	125	60.2 Å²	60.2	67%	0.668	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-33.1	-173.2	-66.4	-37.3	0	0	0	111.2	I31 S36 E37	I31-D33 PolarHBondContact O-N 2.91Å; D33-S36 PolarHBondContact O-N 3.4Å; D33-E37 VanDerWaalsContact O-CG 3.3Å; D33-E37 WeakPolarHBondContact O-CG 3.38Å; D33-E37 PolarHBondContact O-N 3.18Å
34	T	88.3	Confident	76.5	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.043	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-50.7	-178.7	-43.7	0	0	0	0	111.3	D32 S36 E37 I38 G176 K179 M180	D32-T34 PolarHBondContact O-N 3.41Å; D32-T34 WeakPolarHBondContact OD1-CA 3.44Å; D32-T34 VanDerWaalsContact OD1-CB 3.22Å; D32-T34 WeakPolarHBondContact OD1-CB 3.43Å; D32-T34 PolarHBondContact OD1-N 3.27Å; T34-S36 VanDerWaalsContact C-N 3.25Å; T34-S36 PolarHBondContact O-N 3.1Å; T34-E37 PolarHBondContact O-N 3.13Å; T34-I38 HydrophobicContact CG2-CD1 4.29Å; T34-I38 WeakPolarHBondContact O-CG1 3.45Å; T34-I38 PolarHBondContact O-N 2.86Å; T34-G176 WeakPolarHBondContact CG2-O 3.47Å; T34-K179 HydrophobicContact CG2-CB 4.19Å; T34-K179 HydrophobicContact CG2-CD 3.91Å; T34-K179 HydrophobicContact CG2-CG 4.29Å; T34-K179 WeakPolarHBondContact OG1-CE 3.28Å; T34-K179 PolarHBondContact OG1-NZ 3.27Å; T34-M180 HydrophobicContact CG2-CG 4Å
35	S	86.7	Confident	78.8	Confident	14 Å²	14	53.7 Å²	53.7	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-38.4	177	-69	0	0	0	0	111.5	D32 L39	D32-S35 PolarHBondContact O-N 2.95Å; D32-S35 PolarHBondContact OD1-N 2.9Å; D32-S35 PolarHBondContact OD1-OG 3.22Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-OG 2.94Å; S35-L39 VanDerWaalsContact O-CG 3.27Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.09Å; S35-L39 VanDerWaalsContact O-N 3.07Å
36	S	89.9	Confident	81.1	Confident	46 Å²	46	50 Å²	50	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-44.4	177.9	-64.1	0	0	0	0	111.9	F30 D32 D33 T34 L39 D40	F30-S36 PolarHBondContact O-OG 2.91Å; D32-S36 PolarHBondContact O-N 2.98Å; D32-S36 PolarHBondContact O-OG 3.38Å; D33-S36 PolarHBondContact O-N 3.4Å; T34-S36 VanDerWaalsContact C-N 3.25Å; T34-S36 PolarHBondContact O-N 3.1Å; S36-L39 PolarHBondContact O-N 3.39Å; S36-D40 WeakPolarHBondContact O-CB 3.08Å; S36-D40 PolarHBondContact O-N 3.15Å
37	E	92.6	Very high	83.4	Confident	127 Å²	127	53 Å²	53	59%	0.593	28%	0.276	S	S	*	.	H	α-helix	trans	-62.4	-43.3	176.7	-75.1	175.4	-179.4	0	0	112.2	D33 T34 L39 D40 E41	D33-E37 VanDerWaalsContact O-CG 3.3Å; D33-E37 WeakPolarHBondContact O-CG 3.38Å; D33-E37 PolarHBondContact O-N 3.18Å; T34-E37 PolarHBondContact O-N 3.13Å; E37-L39 PolarHBondContact O-N 2.87Å; E37-D40 WeakPolarHBondContact O-CB 3.36Å; E37-D40 PolarHBondContact O-N 3.49Å; E37-E41 WeakPolarHBondContact O-CG 3.46Å; E37-E41 PolarHBondContact O-N 3.09Å
38	I	95.2	Very high	85.7	Confident	16 Å²	16	55 Å²	55	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.4	-64.9	164.1	0	0	0	110.6	T34 D40 E41 L42 G176 V177 M180	T34-I38 HydrophobicContact CG2-CD1 4.29Å; T34-I38 WeakPolarHBondContact O-CG1 3.45Å; T34-I38 PolarHBondContact O-N 2.86Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.49Å; I38-E41 PolarHBondContact O-N 3.29Å; I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.27Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.39Å; I38-G176 VanDerWaalsContact CD1-C 3.48Å; I38-V177 HydrophobicContact CD1-CG2 4.14Å; I38-M180 HydrophobicContact CD1-CG 4.16Å; I38-M180 HydrophobicContact CD1-SD 3.38Å; I38-M180 WeakPolarHBondContact CD1-SD 3.15Å
39	L	95.6	Very high	87.9	Confident	22 Å²	22	54 Å²	54	12%	0.115	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-37.2	178.2	-72.2	174.1	0	0	0	112.3	F30 S35 S36 E37 Y43 I60 L63 I64	F30-L39 HydrophobicContact CD1-CD1 3.72Å; F30-L39 HydrophobicContact CE1-CD1 3.8Å; S35-L39 VanDerWaalsContact O-CG 3.27Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.09Å; S35-L39 VanDerWaalsContact O-N 3.07Å; S36-L39 PolarHBondContact O-N 3.39Å; E37-L39 PolarHBondContact O-N 2.87Å; L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 2.97Å; L39-I60 HydrophobicContact CD2-CG2 4.42Å; L39-L63 HydrophobicContact CD2-CD2 3.61Å; L39-L63 HydrophobicContact CD2-CG 4.31Å; L39-I64 HydrophobicContact CD1-CD1 4.3Å; L39-I64 HydrophobicContact CD1-CG1 4.07Å
40	D	96.4	Very high	90	Very high	84 Å²	84	51.6 Å²	51.6	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-66	-40.7	176.1	-97.6	11.8	0	0	0	112.2	S36 E37 I38 Y43 R44	S36-D40 WeakPolarHBondContact O-CB 3.08Å; S36-D40 PolarHBondContact O-N 3.15Å; E37-D40 WeakPolarHBondContact O-CB 3.36Å; E37-D40 PolarHBondContact O-N 3.49Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.49Å; D40-Y43 WeakPolarHBondContact O-CB 3.28Å; D40-Y43 PolarHBondContact O-N 3.04Å; D40-R44 VanDerWaalsContact O-CG 3.22Å; D40-R44 WeakPolarHBondContact O-CG 3.24Å; D40-R44 PolarHBondContact O-N 3.41Å; D40-R44 IonicContact OD2-NH2 2.68Å
41	E	98.4	Very high	92.2	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-74	-37.8	177.7	-65.5	-62.6	160.9	0	0	111.8	E37 I38 Y43 R44 A45 H169 R172 I173	E37-E41 WeakPolarHBondContact O-CG 3.46Å; E37-E41 PolarHBondContact O-N 3.09Å; I38-E41 PolarHBondContact O-N 3.29Å; E41-Y43 VanDerWaalsContact C-N 3.29Å; E41-Y43 PolarHBondContact O-N 3.23Å; E41-R44 PolarHBondContact O-N 2.89Å; E41-R44 IonicContact OE1-CZ 2.88Å; E41-R44 IonicContact OE1-NH1 3.69Å; E41-R44 PolarHBondContact OE1-NH1 3.35Å; E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 2.84Å; E41-H169 IonicContact OE2-CE1 3.89Å; E41-H169 IonicContact OE2-CG 2.89Å; E41-H169 IonicContact OE2-ND1 3.69Å; E41-H169 PolarHBondContact OE2-ND1 2.89Å; E41-R172 HydrophobicContact CG-CB 3.78Å; E41-R172 WeakPolarHBondContact OE1-CD 3.45Å; E41-R172 IonicContact OE1-CZ 3.48Å; E41-R172 IonicContact OE1-NE 2.79Å; E41-R172 IonicContact OE1-NH1 3.15Å; E41-R172 PolarHBondContact OE1-NH1 3.2Å; E41-I173 HydrophobicContact CB-CD1 4.13Å; E41-I173 HydrophobicContact CB-CG1 3.58Å
42	L	98.2	Very high	94.2	Very high	29 Å²	29	59.1 Å²	59.1	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-40.7	169.2	-71.2	173.2	0	0	0	111.4	I38 T46 I60 F150 I173	I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.27Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.39Å; L42-T46 WeakPolarHBondContact O-CB 3.44Å; L42-T46 PolarHBondContact O-N 3.17Å; L42-T46 PolarHBondContact O-OG1 3.3Å; L42-I60 HydrophobicContact CB-CD1 3.84Å; L42-F150 HydrophobicContact CB-CE1 4.38Å; L42-F150 HydrophobicContact CB-CZ 4.22Å; L42-F150 HydrophobicContact CD1-CZ 4.46Å; L42-F150 HydrophobicContact CD2-CD1 4.45Å; L42-F150 HydrophobicContact CD2-CE1 3.78Å; L42-F150 HydrophobicContact CD2-CZ 4.21Å; L42-I173 HydrophobicContact CD2-CD1 3.91Å; L42-I173 HydrophobicContact CG-CD1 4.33Å
43	Y	98.6	Very high	95.4	Very high	44 Å²	44	64.4 Å²	64.4	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-49.5	173	167.6	-112.4	0	0	0	111.4	L39 D40 E41 T46 K47 A56 Q57 I60	L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 2.97Å; D40-Y43 WeakPolarHBondContact O-CB 3.28Å; D40-Y43 PolarHBondContact O-N 3.04Å; E41-Y43 VanDerWaalsContact C-N 3.29Å; E41-Y43 PolarHBondContact O-N 3.23Å; Y43-T46 PolarHBondContact O-N 3.32Å; Y43-K47 HydrophobicContact CE2-CB 4.45Å; Y43-K47 VanDerWaalsContact O-CB 3.3Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.18Å; Y43-A56 HydrophobicContact CD2-CB 3.85Å; Y43-A56 HydrophobicContact CE2-CB 3.76Å; Y43-Q57 HydrophobicContact CD2-CG 4.45Å; Y43-Q57 HydrophobicContact CE2-CG 3.64Å; Y43-I60 HydrophobicContact CD2-CG1 4.43Å
44	R	98.7	Very high	96.3	Very high	87 Å²	87	66.6 Å²	66.6	33%	0.328	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-48.9	-177.3	-71.1	164.3	-168.2	178.8	4.7	111.4	D40 E41 T46 K47 E48 H169	D40-R44 VanDerWaalsContact O-CG 3.22Å; D40-R44 WeakPolarHBondContact O-CG 3.24Å; D40-R44 PolarHBondContact O-N 3.41Å; D40-R44 IonicContact OD2-NH2 2.68Å; E41-R44 PolarHBondContact O-N 2.89Å; E41-R44 IonicContact OE1-CZ 2.88Å; E41-R44 IonicContact OE1-NH1 3.69Å; E41-R44 PolarHBondContact OE1-NH1 3.35Å; R44-T46 VanDerWaalsContact C-N 3.34Å; R44-T46 PolarHBondContact O-N 3.43Å; R44-K47 WeakPolarHBondContact O-CB 3.34Å; R44-K47 PolarHBondContact O-N 2.99Å; R44-E48 PolarHBondContact O-N 3.2Å; R44-H169 VanDerWaalsContact CB-CE1 3.47Å; R44-H169 WeakPolarHBondContact CB-CE1 3.46Å
45	A	98.5	Very high	96.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.3	0	0	0	0	0	112	E41 K47 E48 Y49 F155 L159 Y166 H169	E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 2.84Å; A45-K47 PolarHBondContact O-N 3.49Å; A45-E48 PolarHBondContact O-N 3.3Å; A45-Y49 WeakPolarHBondContact O-CB 3.37Å; A45-Y49 PolarHBondContact O-N 2.98Å; A45-F155 HydrophobicContact CB-CE2 4.42Å; A45-F155 HydrophobicContact CB-CZ 4.45Å; A45-L159 HydrophobicContact CB-CD1 4.03Å; A45-Y166 HydrophobicContact CB-CD1 4.39Å; A45-Y166 HydrophobicContact CB-CE1 4.48Å; A45-H169 HydrophobicContact CB-CB 4.23Å
46	T	98.6	Very high	97.3	Very high	0 Å²	0	68 Å²	68	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-41.3	176.5	-61.1	0	0	0	0	111.8	L42 Y43 R44 Y49 T50 A56 I59 H149	L42-T46 WeakPolarHBondContact O-CB 3.44Å; L42-T46 PolarHBondContact O-N 3.17Å; L42-T46 PolarHBondContact O-OG1 3.3Å; Y43-T46 PolarHBondContact O-N 3.32Å; R44-T46 VanDerWaalsContact C-N 3.34Å; R44-T46 PolarHBondContact O-N 3.43Å; T46-Y49 PolarHBondContact O-N 2.96Å; T46-T50 HydrophobicContact CG2-CG2 4.11Å; T46-T50 WeakPolarHBondContact O-CB 3.24Å; T46-T50 WeakPolarHBondContact O-CG2 3.3Å; T46-T50 PolarHBondContact O-N 3.04Å; T46-T50 PolarHBondContact O-OG1 2.93Å; T46-A56 HydrophobicContact CG2-CB 3.73Å; T46-I59 HydrophobicContact CG2-CD1 3.59Å; T46-H149 WeakPolarHBondContact CG2-NE2 3.43Å; T46-H149 PolarHBondContact OG1-NE2 3.4Å; T46-H149 VanDerWaalsContact OG1-NE2 3.09Å
47	K	98.7	Very high	97.7	Very high	83 Å²	83	70 Å²	70	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-42.8	178.3	-171.1	-162.9	77.2	-179.6	0	111.1	Y43 R44 A45 R51 A56	Y43-K47 HydrophobicContact CE2-CB 4.45Å; Y43-K47 VanDerWaalsContact O-CB 3.3Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.18Å; R44-K47 WeakPolarHBondContact O-CB 3.34Å; R44-K47 PolarHBondContact O-N 2.99Å; A45-K47 PolarHBondContact O-N 3.49Å; K47-R51 VanDerWaalsContact O-CA 3.31Å; K47-R51 WeakPolarHBondContact O-CA 3.39Å; K47-R51 PolarHBondContact O-N 3.04Å; K47-A56 HydrophobicContact CB-CB 3.84Å; K47-A56 HydrophobicContact CG-CB 4.44Å
48	E	97.9	Very high	98	Very high	78 Å²	78	68 Å²	68	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-47.6	177.4	-166	59.1	-140.5	0	0	110.7	R44 A45 R51 P165 Y166	R44-E48 PolarHBondContact O-N 3.2Å; A45-E48 PolarHBondContact O-N 3.3Å; E48-R51 WeakPolarHBondContact O-CG 3.29Å; E48-R51 PolarHBondContact O-N 3.06Å; E48-P165 HydrophobicContact CG-CG 3.83Å; E48-Y166 HydrophobicContact CB-CE1 4.12Å; E48-Y166 HydrophobicContact CG-CE1 4.32Å; E48-Y166 HydrophobicContact CG-CE2 4.21Å
49	Y	98.4	Very high	98.2	Very high	75 Å²	75	67.4 Å²	67.4	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-51.3	-177.6	-178.8	-106.7	0	0	0	113.2	A45 T46 R51 D152 E154 F155 A158 Y166	A45-Y49 WeakPolarHBondContact O-CB 3.37Å; A45-Y49 PolarHBondContact O-N 2.98Å; T46-Y49 PolarHBondContact O-N 2.96Å; Y49-R51 PolarHBondContact O-N 3.48Å; Y49-D152 PolarHBondContact OH-OD1 2.72Å; Y49-E154 HydrophobicContact CE2-CB 4.46Å; Y49-E154 WeakPolarHBondContact OH-CB 3.39Å; Y49-F155 HydrophobicContact CD1-CB 3.99Å; Y49-F155 AromaticContact CD1-CD2 3.67Å; Y49-F155 HydrophobicContact CD1-CD2 3.67Å; Y49-F155 HydrophobicContact CD1-CG 4.28Å; Y49-F155 HydrophobicContact CD2-CB 4.48Å; Y49-F155 HydrophobicContact CD2-CD2 4.2Å; Y49-F155 HydrophobicContact CE1-CB 3.68Å; Y49-F155 HydrophobicContact CE1-CD2 4.27Å; Y49-F155 HydrophobicContact CE1-CG 4.44Å; Y49-F155 HydrophobicContact CE2-CB 4.25Å; Y49-F155 HydrophobicContact CG-CB 4.37Å; Y49-F155 AromaticContact CG-CD2 3.62Å; Y49-F155 HydrophobicContact CG-CD2 3.62Å; Y49-F155 HydrophobicContact CG-CE2 4.48Å; Y49-F155 HydrophobicContact CG-CG 4.49Å; Y49-F155 VanDerWaalsContact CZ-N 3.33Å; Y49-F155 PolarHBondContact OH-N 3.22Å; Y49-F155 VanDerWaalsContact OH-N 3.16Å; Y49-A158 HydrophobicContact CD2-CB 4.04Å; Y49-A158 HydrophobicContact CE2-CB 4.3Å; Y49-Y166 WeakPolarHBondContact CA-OH 3.49Å; Y49-Y166 WeakPolarHBondContact CB-OH 3.25Å; Y49-Y166 PolarHBondContact N-OH 3.47Å
50	T	98.1	Very high	98.3	Very high	42 Å²	42	67.1 Å²	67.1	26%	0.258	29%	0.293	S	S	.	.	H	α-helix	trans	-74.7	-16.8	-177.3	59.8	0	0	0	0	113	T46 N52	T46-T50 HydrophobicContact CG2-CG2 4.11Å; T46-T50 WeakPolarHBondContact O-CB 3.24Å; T46-T50 WeakPolarHBondContact O-CG2 3.3Å; T46-T50 PolarHBondContact O-N 3.04Å; T46-T50 PolarHBondContact O-OG1 2.93Å; T50-N52 PolarHBondContact O-N 3.23Å; T50-N52 PolarHBondContact OG1-N 3.29Å; T50-N52 PolarHBondContact OG1-O 2.99Å
51	R	98.3	Very high	98.3	Very high	228 Å²	228	68.2 Å²	68.2	86%	0.86	29%	0.293	S	S	*	.			trans	49.1	27.3	-167.2	-58.2	-177.9	177.5	-177.1	-0.6	112.7	K47 E48 Y49	K47-R51 VanDerWaalsContact O-CA 3.31Å; K47-R51 WeakPolarHBondContact O-CA 3.39Å; K47-R51 PolarHBondContact O-N 3.04Å; E48-R51 WeakPolarHBondContact O-CG 3.29Å; E48-R51 PolarHBondContact O-N 3.06Å; Y49-R51 PolarHBondContact O-N 3.48Å
52	N	98.4	Very high	98.3	Very high	74 Å²	74	68.4 Å²	68.4	40%	0.396	30%	0.295	S	S	.	.			trans	-136.8	99	-172.9	-173.7	-21	0	0	0	110.8	T50 K54 E55 A56	T50-N52 PolarHBondContact O-N 3.23Å; T50-N52 PolarHBondContact OG1-N 3.29Å; T50-N52 PolarHBondContact OG1-O 2.99Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 3.32Å; N52-K54 PolarHBondContact OD1-N 3.33Å; N52-K54 VanDerWaalsContact OD1-N 3.08Å; N52-E55 HydrophobicContact CB-CB 3.9Å; N52-E55 PolarHBondContact O-N 2.94Å; N52-E55 PolarHBondContact OD1-N 2.89Å; N52-E55 VanDerWaalsContact OD1-N 3.11Å; N52-A56 PolarHBondContact O-N 2.85Å
53	R	98.3	Very high	98.3	Very high	163 Å²	163	68.8 Å²	68.8	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-55.3	-42.6	178.6	-179.3	176.1	178.8	172.2	1.7	113.1	E55 Q57	R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 PolarHBondContact O-N 2.88Å; R53-Q57 HydrophobicContact CG-CG 4.47Å; R53-Q57 WeakPolarHBondContact O-CB 3.39Å; R53-Q57 VanDerWaalsContact O-CG 3.26Å; R53-Q57 WeakPolarHBondContact O-CG 3.3Å; R53-Q57 PolarHBondContact O-N 3.37Å
54	K	98.4	Very high	98.1	Very high	170 Å²	170	69.6 Å²	69.6	74%	0.739	30%	0.303	S	S	*	.	H	α-helix	trans	-66.4	-38.6	-177.2	-71.3	-178.6	178.4	175.4	0	110.8	N52 K58	N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 3.32Å; N52-K54 PolarHBondContact OD1-N 3.33Å; N52-K54 VanDerWaalsContact OD1-N 3.08Å; K54-K58 WeakPolarHBondContact O-CB 3.39Å; K54-K58 PolarHBondContact O-N 2.93Å
55	E	98.6	Very high	97.8	Very high	52 Å²	52	69.3 Å²	69.3	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-46.2	179.4	-172.9	52	-149.6	0	0	111.7	N52 R53 Q57 K58 I59 H145	N52-E55 HydrophobicContact CB-CB 3.9Å; N52-E55 PolarHBondContact O-N 2.94Å; N52-E55 PolarHBondContact OD1-N 2.89Å; N52-E55 VanDerWaalsContact OD1-N 3.11Å; R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 PolarHBondContact O-N 2.88Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.41Å; E55-K58 WeakPolarHBondContact O-CA 3.34Å; E55-K58 WeakPolarHBondContact O-CB 3.26Å; E55-K58 PolarHBondContact O-N 3.47Å; E55-K58 IonicContact OE2-NZ 3.69Å; E55-I59 HydrophobicContact CG-CD1 4.24Å; E55-I59 WeakPolarHBondContact O-CG1 3.33Å; E55-I59 PolarHBondContact O-N 2.96Å; E55-H145 IonicContact OE1-CD2 3.69Å; E55-H145 IonicContact OE1-CE1 3.71Å; E55-H145 PolarHBondContact OE1-CE1 2.89Å; E55-H145 IonicContact OE1-NE2 3.69Å; E55-H145 PolarHBondContact OE1-NE2 2.99Å; E55-H145 IonicContact OE2-NE2 3.63Å
56	A	98.4	Very high	97.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-45.8	174.3	0	0	0	0	0	112.5	Y43 T46 K47 N52 K58 I59 I60	Y43-A56 HydrophobicContact CD2-CB 3.85Å; Y43-A56 HydrophobicContact CE2-CB 3.76Å; T46-A56 HydrophobicContact CG2-CB 3.73Å; K47-A56 HydrophobicContact CB-CB 3.84Å; K47-A56 HydrophobicContact CG-CB 4.44Å; N52-A56 PolarHBondContact O-N 2.85Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 3.24Å; A56-I59 PolarHBondContact O-N 3.21Å; A56-I60 WeakPolarHBondContact O-CG1 3.49Å; A56-I60 PolarHBondContact O-N 3.07Å
57	Q	98.3	Very high	97.4	Very high	87 Å²	87	71.8 Å²	71.8	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-36.1	174.6	-74.5	179.4	-24.9	0	0	112.4	Y43 R53 E55 K61	Y43-Q57 HydrophobicContact CD2-CG 4.45Å; Y43-Q57 HydrophobicContact CE2-CG 3.64Å; R53-Q57 HydrophobicContact CG-CG 4.47Å; R53-Q57 WeakPolarHBondContact O-CB 3.39Å; R53-Q57 VanDerWaalsContact O-CG 3.26Å; R53-Q57 WeakPolarHBondContact O-CG 3.3Å; R53-Q57 PolarHBondContact O-N 3.37Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.41Å; Q57-K61 WeakPolarHBondContact O-CB 3.35Å; Q57-K61 PolarHBondContact O-N 3.15Å
58	K	98.6	Very high	96.8	Very high	86 Å²	86	71 Å²	71	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-40.6	-179.9	-177	-174.9	168.5	-145.5	0	111.6	K54 E55 A56 N62 H145	K54-K58 WeakPolarHBondContact O-CB 3.39Å; K54-K58 PolarHBondContact O-N 2.93Å; E55-K58 WeakPolarHBondContact O-CA 3.34Å; E55-K58 WeakPolarHBondContact O-CB 3.26Å; E55-K58 PolarHBondContact O-N 3.47Å; E55-K58 IonicContact OE2-NZ 3.69Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 3.24Å; K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.15Å; K58-N62 PolarHBondContact O-N 3.1Å; K58-N62 PolarHBondContact O-ND2 3.43Å; K58-H145 WeakPolarHBondContact CE-NE2 3.36Å; K58-H145 PolarHBondContact NZ-NE2 3.03Å
59	I	98.7	Very high	96.5	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-53.7	175.3	-69.7	163.2	0	0	0	110	T46 E55 A56 K61 N62 L63 H149 F150	T46-I59 HydrophobicContact CG2-CD1 3.59Å; E55-I59 HydrophobicContact CG-CD1 4.24Å; E55-I59 WeakPolarHBondContact O-CG1 3.33Å; E55-I59 PolarHBondContact O-N 2.96Å; A56-I59 PolarHBondContact O-N 3.21Å; I59-K61 PolarHBondContact O-N 3.22Å; I59-N62 WeakPolarHBondContact O-CB 3.33Å; I59-N62 PolarHBondContact O-N 2.68Å; I59-L63 PolarHBondContact O-N 2.78Å; I59-H149 HydrophobicContact CD1-CB 3.93Å; I59-F150 HydrophobicContact CG2-CE2 3.88Å; I59-F150 HydrophobicContact CG2-CZ 4.05Å
60	I	98	Very high	96.1	Very high	16 Å²	16	67.7 Å²	67.7	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-41.4	-178.1	-59.1	-62	0	0	0	111.8	L39 L42 Y43 A56 N62 L63 I64 F150	L39-I60 HydrophobicContact CD2-CG2 4.42Å; L42-I60 HydrophobicContact CB-CD1 3.84Å; Y43-I60 HydrophobicContact CD2-CG1 4.43Å; A56-I60 WeakPolarHBondContact O-CG1 3.49Å; A56-I60 PolarHBondContact O-N 3.07Å; I60-N62 VanDerWaalsContact C-N 3.26Å; I60-N62 PolarHBondContact O-N 3.21Å; I60-L63 WeakPolarHBondContact O-CB 3.4Å; I60-L63 PolarHBondContact O-N 2.89Å; I60-I64 HydrophobicContact CG2-CD1 4.09Å; I60-I64 WeakPolarHBondContact O-CG1 3.25Å; I60-I64 PolarHBondContact O-N 2.85Å; I60-F150 HydrophobicContact CD1-CZ 4.21Å
61	K	97.2	Very high	95.6	Very high	107 Å²	107	67.1 Å²	67.1	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-36.7	172.8	179.2	178.8	68	-166	0	112.4	Q57 I59 K65	Q57-K61 WeakPolarHBondContact O-CB 3.35Å; Q57-K61 PolarHBondContact O-N 3.15Å; I59-K61 PolarHBondContact O-N 3.22Å; K61-K65 HydrophobicContact CG-CD 4.28Å; K61-K65 WeakPolarHBondContact O-CB 3.31Å; K61-K65 WeakPolarHBondContact O-CG 3.34Å; K61-K65 PolarHBondContact O-N 3.5Å
62	N	98.5	Very high	95	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-69.6	-41.5	177.7	-77.6	-15.4	0	0	0	111	K58 I59 I60 K65 I66 R142 H145 V146	K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.15Å; K58-N62 PolarHBondContact O-N 3.1Å; K58-N62 PolarHBondContact O-ND2 3.43Å; I59-N62 WeakPolarHBondContact O-CB 3.33Å; I59-N62 PolarHBondContact O-N 2.68Å; I60-N62 VanDerWaalsContact C-N 3.26Å; I60-N62 PolarHBondContact O-N 3.21Å; N62-K65 PolarHBondContact O-N 2.9Å; N62-I66 WeakPolarHBondContact O-CD1 3.48Å; N62-I66 VanDerWaalsContact O-CG1 3.24Å; N62-I66 WeakPolarHBondContact O-CG1 3.43Å; N62-I66 PolarHBondContact O-N 3.47Å; N62-R142 HydrophobicContact CB-CB 4.01Å; N62-R142 HydrophobicContact CB-CG 4.1Å; N62-R142 WeakPolarHBondContact OD1-CG 3.28Å; N62-H145 PolarHBondContact ND2-ND1 3.4Å; N62-V146 HydrophobicContact CB-CG2 3.73Å
63	L	97.3	Very high	94.6	Very high	37 Å²	37	55.8 Å²	55.8	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-53.4	173.6	174.7	57.6	0	0	0	111.2	L39 I59 I60 K65 I66 V67 V146	L39-L63 HydrophobicContact CD2-CD2 3.61Å; L39-L63 HydrophobicContact CD2-CG 4.31Å; I59-L63 PolarHBondContact O-N 2.78Å; I60-L63 WeakPolarHBondContact O-CB 3.4Å; I60-L63 PolarHBondContact O-N 2.89Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.36Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 PolarHBondContact O-N 3.35Å; L63-V67 HydrophobicContact CD1-CG2 4.27Å; L63-V67 PolarHBondContact O-N 3.44Å; L63-V67 VanDerWaalsContact O-N 3.13Å; L63-V146 HydrophobicContact CB-CG1 4.18Å; L63-V146 HydrophobicContact CB-CG2 4.06Å; L63-V146 HydrophobicContact CD1-CG1 4.17Å
64	I	93.6	Very high	94	Very high	61 Å²	61	55.5 Å²	55.5	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-45.4	176.9	-65	165.7	0	0	0	110.6	F30 L39 I60 I66 V67 M68	F30-I64 HydrophobicContact CE1-CG1 4.41Å; F30-I64 HydrophobicContact CE2-CG2 4.31Å; F30-I64 HydrophobicContact CZ-CG1 4.49Å; L39-I64 HydrophobicContact CD1-CD1 4.3Å; L39-I64 HydrophobicContact CD1-CG1 4.07Å; I60-I64 HydrophobicContact CG2-CD1 4.09Å; I60-I64 WeakPolarHBondContact O-CG1 3.25Å; I60-I64 PolarHBondContact O-N 2.85Å; I64-I66 VanDerWaalsContact C-N 3.28Å; I64-I66 PolarHBondContact O-N 3.01Å; I64-V67 PolarHBondContact O-N 3.32Å; I64-M68 HydrophobicContact CG2-CG 4.04Å; I64-M68 WeakPolarHBondContact O-CB 3.5Å; I64-M68 WeakPolarHBondContact O-CG 3.43Å; I64-M68 PolarHBondContact O-N 3.48Å
65	K	93.9	Very high	93.3	Very high	82 Å²	82	52.9 Å²	52.9	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-30.3	179.5	-77.3	-179.6	-176.7	-160.3	0	113.8	K61 N62 L63 K69	K61-K65 HydrophobicContact CG-CD 4.28Å; K61-K65 WeakPolarHBondContact O-CB 3.31Å; K61-K65 WeakPolarHBondContact O-CG 3.34Å; K61-K65 PolarHBondContact O-N 3.5Å; N62-K65 PolarHBondContact O-N 2.9Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.36Å; K65-K69 VanDerWaalsContact O-CG 3.3Å; K65-K69 WeakPolarHBondContact O-CG 3.43Å; K65-K69 PolarHBondContact O-N 2.97Å
66	I	95.4	Very high	92.7	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-54.3	177.6	-70.5	158	0	0	0	109.1	N62 L63 I64 M68 K69 L70 L127 R142 I143 V146	N62-I66 WeakPolarHBondContact O-CD1 3.48Å; N62-I66 VanDerWaalsContact O-CG1 3.24Å; N62-I66 WeakPolarHBondContact O-CG1 3.43Å; N62-I66 PolarHBondContact O-N 3.47Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 PolarHBondContact O-N 3.35Å; I64-I66 VanDerWaalsContact C-N 3.28Å; I64-I66 PolarHBondContact O-N 3.01Å; I66-M68 VanDerWaalsContact C-N 3.34Å; I66-M68 PolarHBondContact O-N 3.41Å; I66-K69 WeakPolarHBondContact O-CB 3.09Å; I66-K69 PolarHBondContact O-N 3.12Å; I66-L70 HydrophobicContact CG2-CD1 4.29Å; I66-L70 PolarHBondContact O-N 3.38Å; I66-L127 HydrophobicContact CG2-CD2 3.77Å; I66-R142 HydrophobicContact CD1-CB 4.06Å; I66-R142 HydrophobicContact CG1-CB 4.18Å; I66-I143 HydrophobicContact CD1-CB 4.34Å; I66-I143 HydrophobicContact CD1-CG1 3.79Å; I66-I143 HydrophobicContact CG1-CG1 3.96Å; I66-I143 HydrophobicContact CG2-CG1 4.24Å; I66-V146 HydrophobicContact CD1-CB 4.43Å; I66-V146 HydrophobicContact CD1-CG2 4.01Å
67	V	91.5	Very high	92.2	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-40.8	-178.8	177.1	0	0	0	0	111.5	F30 L63 I64 K69 L70 G71	F30-V67 HydrophobicContact CD2-CG1 4.36Å; F30-V67 HydrophobicContact CE1-CB 4.5Å; F30-V67 HydrophobicContact CE1-CG1 4.37Å; F30-V67 HydrophobicContact CE2-CB 3.43Å; F30-V67 VanDerWaalsContact CE2-CB 3.43Å; F30-V67 HydrophobicContact CE2-CG1 3.27Å; F30-V67 HydrophobicContact CE2-CG2 4.37Å; F30-V67 HydrophobicContact CZ-CB 3.26Å; F30-V67 HydrophobicContact CZ-CG1 3.31Å; F30-V67 HydrophobicContact CZ-CG2 3.71Å; L63-V67 HydrophobicContact CD1-CG2 4.27Å; L63-V67 PolarHBondContact O-N 3.44Å; L63-V67 VanDerWaalsContact O-N 3.13Å; I64-V67 PolarHBondContact O-N 3.32Å; V67-K69 VanDerWaalsContact C-N 3.25Å; V67-K69 PolarHBondContact O-N 2.84Å; V67-L70 WeakPolarHBondContact O-CB 3.4Å; V67-L70 PolarHBondContact O-N 3.29Å; V67-L70 VanDerWaalsContact O-N 3.13Å; V67-G71 PolarHBondContact O-N 2.9Å
68	M	87.2	Confident	92	Very high	67 Å²	67	57.2 Å²	57.2	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-39.1	174.5	-72.1	-65.6	-68.4	0	0	112.1	I26 F30 I64 I66 V72	I26-M68 HydrophobicContact CB-CE 4.29Å; I26-M68 HydrophobicContact CG2-CE 3.41Å; I26-M68 VanDerWaalsContact CG2-CE 3.41Å; I26-M68 HydrophobicContact CG2-SD 3.73Å; F30-M68 HydrophobicContact CD2-CG 4.21Å; F30-M68 HydrophobicContact CD2-SD 3.78Å; F30-M68 HydrophobicContact CE2-CG 4.03Å; F30-M68 HydrophobicContact CE2-SD 4.14Å; I64-M68 HydrophobicContact CG2-CG 4.04Å; I64-M68 WeakPolarHBondContact O-CB 3.5Å; I64-M68 WeakPolarHBondContact O-CG 3.43Å; I64-M68 PolarHBondContact O-N 3.48Å; I66-M68 VanDerWaalsContact C-N 3.34Å; I66-M68 PolarHBondContact O-N 3.41Å; M68-V72 VanDerWaalsContact O-CG2 3.29Å; M68-V72 WeakPolarHBondContact O-CG2 3.04Å; M68-V72 PolarHBondContact O-N 3.3Å; M68-V72 VanDerWaalsContact O-N 3.13Å
69	K	91	Very high	91.7	Very high	64 Å²	64	53.9 Å²	53.9	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-41.2	176.3	-80.4	177.4	160.4	-131.9	0	111.7	K65 I66 V67 V72 L73 L135 S139	K65-K69 VanDerWaalsContact O-CG 3.3Å; K65-K69 WeakPolarHBondContact O-CG 3.43Å; K65-K69 PolarHBondContact O-N 2.97Å; I66-K69 WeakPolarHBondContact O-CB 3.09Å; I66-K69 PolarHBondContact O-N 3.12Å; V67-K69 VanDerWaalsContact C-N 3.25Å; V67-K69 PolarHBondContact O-N 2.84Å; K69-V72 PolarHBondContact O-N 2.99Å; K69-L73 WeakPolarHBondContact O-CG 3.27Å; K69-L73 PolarHBondContact O-N 3.41Å; K69-L135 HydrophobicContact CB-CD1 4.43Å; K69-L135 HydrophobicContact CB-CD2 4.24Å; K69-L135 HydrophobicContact CD-CD1 4.38Å; K69-L135 HydrophobicContact CD-CD2 3.92Å; K69-L135 HydrophobicContact CG-CD2 4.44Å; K69-S139 VanDerWaalsContact CD-OG 3.25Å; K69-S139 WeakPolarHBondContact CD-OG 3.5Å; K69-S139 WeakPolarHBondContact CE-OG 3.37Å; K69-S139 PolarHBondContact NZ-OG 3.46Å
70	L	91.4	Very high	91.5	Very high	18 Å²	18	55.7 Å²	55.7	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-46.3	174.5	-68.8	176.8	0	0	0	111.6	I66 V67 V72 L73 Y74 F79 M87 L127 V131	I66-L70 HydrophobicContact CG2-CD1 4.29Å; I66-L70 PolarHBondContact O-N 3.38Å; V67-L70 WeakPolarHBondContact O-CB 3.4Å; V67-L70 PolarHBondContact O-N 3.29Å; V67-L70 VanDerWaalsContact O-N 3.13Å; L70-V72 VanDerWaalsContact C-N 3.31Å; L70-V72 PolarHBondContact O-N 3.49Å; L70-L73 PolarHBondContact O-N 2.68Å; L70-Y74 WeakPolarHBondContact O-CB 3.27Å; L70-Y74 PolarHBondContact O-N 2.69Å; L70-F79 HydrophobicContact CD2-CZ 4.17Å; L70-M87 HydrophobicContact CD1-CE 4.47Å; L70-M87 HydrophobicContact CD2-CE 4.28Å; L70-M87 HydrophobicContact CD2-SD 4.23Å; L70-L127 HydrophobicContact CD1-CD1 3.65Å; L70-L127 HydrophobicContact CD2-CD1 3.75Å; L70-L127 HydrophobicContact CG-CD1 4.2Å; L70-V131 HydrophobicContact CD2-CG1 3.49Å; L70-V131 VanDerWaalsContact CD2-CG1 3.49Å
71	G	86.3	Confident	91.4	Very high	31 Å²	31	59.2 Å²	59.2	32%	0.32	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-40.1	177	0	0	0	0	0	112.8	V67 R75	V67-G71 PolarHBondContact O-N 2.9Å; G71-R75 WeakPolarHBondContact O-CB 3.41Å; G71-R75 PolarHBondContact O-N 2.85Å
72	V	86.8	Confident	91.4	Very high	45 Å²	45	60 Å²	60	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-45.6	174.6	172.5	0	0	0	0	111.6	I26 M68 K69 L70 N76	I26-V72 HydrophobicContact CD1-CG2 3.63Å; I26-V72 HydrophobicContact CG2-CG2 4.48Å; M68-V72 VanDerWaalsContact O-CG2 3.29Å; M68-V72 WeakPolarHBondContact O-CG2 3.04Å; M68-V72 PolarHBondContact O-N 3.3Å; M68-V72 VanDerWaalsContact O-N 3.13Å; K69-V72 PolarHBondContact O-N 2.99Å; L70-V72 VanDerWaalsContact C-N 3.31Å; L70-V72 PolarHBondContact O-N 3.49Å; V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.37Å; V72-N76 VanDerWaalsContact O-CG 3.26Å; V72-N76 PolarHBondContact O-N 3.35Å; V72-N76 VanDerWaalsContact O-N 3.1Å; V72-N76 PolarHBondContact O-ND2 3.29Å
73	L	89.4	Confident	91.2	Very high	18 Å²	18	60.6 Å²	60.6	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-47.5	179.5	-70.8	172.3	0	0	0	111.3	K69 L70 N76 G77 Q78 F79 H134 L135	K69-L73 WeakPolarHBondContact O-CG 3.27Å; K69-L73 PolarHBondContact O-N 3.41Å; L70-L73 PolarHBondContact O-N 2.68Å; L73-N76 PolarHBondContact O-N 2.98Å; L73-G77 PolarHBondContact O-N 2.87Å; L73-Q78 HydrophobicContact CB-CB 4.33Å; L73-Q78 HydrophobicContact CD2-CB 3.79Å; L73-Q78 HydrophobicContact CD2-CG 4.05Å; L73-Q78 WeakPolarHBondContact O-CB 3.46Å; L73-Q78 PolarHBondContact O-N 3.44Å; L73-F79 HydrophobicContact CB-CD2 4.34Å; L73-F79 HydrophobicContact CB-CE1 4.31Å; L73-F79 HydrophobicContact CB-CE2 3.67Å; L73-F79 HydrophobicContact CB-CZ 3.66Å; L73-F79 HydrophobicContact CD1-CE1 4.06Å; L73-F79 HydrophobicContact CD1-CZ 3.81Å; L73-F79 HydrophobicContact CG-CZ 4.38Å; L73-H134 HydrophobicContact CD1-CB 3.77Å; L73-H134 HydrophobicContact CD2-CB 3.83Å; L73-H134 HydrophobicContact CG-CB 4.48Å; L73-L135 HydrophobicContact CD1-CD2 4.04Å; L73-L135 HydrophobicContact CD1-CG 4.21Å
74	Y	85.4	Confident	91.1	Very high	158 Å²	158	62.4 Å²	62.4	62%	0.62	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-50.3	179.9	-170	-94.5	0	0	0	111.6	L70 N76 G77 F79 L84	L70-Y74 WeakPolarHBondContact O-CB 3.27Å; L70-Y74 PolarHBondContact O-N 2.69Å; Y74-N76 VanDerWaalsContact C-N 3.25Å; Y74-N76 PolarHBondContact O-N 3.34Å; Y74-G77 PolarHBondContact O-N 2.82Å; Y74-F79 HydrophobicContact CD2-CD2 4.38Å; Y74-L84 HydrophobicContact CD2-CD2 4.3Å; Y74-L84 HydrophobicContact CE2-CD2 4.07Å
75	R	84.1	Confident	91.2	Very high	115 Å²	115	64.9 Å²	64.9	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-35	-179.4	-176.7	179.4	-177.6	179.9	4.5	112.9	S23 G71 G77	S23-R75 PolarHBondContact OG-NH1 3.16Å; G71-R75 WeakPolarHBondContact O-CB 3.41Å; G71-R75 PolarHBondContact O-N 2.85Å; R75-G77 VanDerWaalsContact C-N 3.25Å; R75-G77 PolarHBondContact O-N 3.37Å
76	N	86.6	Confident	91.3	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.3	-179.3	-66.1	-15.8	0	0	0	112.7	V72 L73 Y74 Q78	V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.37Å; V72-N76 VanDerWaalsContact O-CG 3.26Å; V72-N76 PolarHBondContact O-N 3.35Å; V72-N76 VanDerWaalsContact O-N 3.1Å; V72-N76 PolarHBondContact O-ND2 3.29Å; L73-N76 PolarHBondContact O-N 2.98Å; Y74-N76 VanDerWaalsContact C-N 3.25Å; Y74-N76 PolarHBondContact O-N 3.34Å; N76-Q78 HydrophobicContact CB-CG 3.82Å; N76-Q78 PolarHBondContact O-N 3.12Å; N76-Q78 PolarHBondContact O-NE2 3.32Å
77	G	87.7	Confident	91.3	Very high	62 Å²	62	63.5 Å²	63.5	64%	0.639	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	35.6	179.1	0	0	0	0	0	112.9	L73 Y74 R75	L73-G77 PolarHBondContact O-N 2.87Å; Y74-G77 PolarHBondContact O-N 2.82Å; R75-G77 VanDerWaalsContact C-N 3.25Å; R75-G77 PolarHBondContact O-N 3.37Å
78	Q	93	Very high	91.4	Very high	104 Å²	104	65.1 Å²	65.1	49%	0.486	34%	0.343	S	S	.	.			trans	-79.2	-21.1	-174.2	-64	-63.7	-71	0	0	112.9	L73 N76 H134	L73-Q78 HydrophobicContact CB-CB 4.33Å; L73-Q78 HydrophobicContact CD2-CB 3.79Å; L73-Q78 HydrophobicContact CD2-CG 4.05Å; L73-Q78 WeakPolarHBondContact O-CB 3.46Å; L73-Q78 PolarHBondContact O-N 3.44Å; N76-Q78 HydrophobicContact CB-CG 3.82Å; N76-Q78 PolarHBondContact O-N 3.12Å; N76-Q78 PolarHBondContact O-NE2 3.32Å; Q78-H134 PolarHBondContact O-CE1 3.34Å
79	F	92.4	Very high	91.9	Very high	17 Å²	17	69.5 Å²	69.5	8%	0.075	36%	0.355	C	S	.	.	S	Bend	trans	-75.9	136.8	-180	-67.4	-60.1	0	0	0	111.8	L70 L73 Y74 E83 L84 M87 A130 H134	L70-F79 HydrophobicContact CD2-CZ 4.17Å; L73-F79 HydrophobicContact CB-CD2 4.34Å; L73-F79 HydrophobicContact CB-CE1 4.31Å; L73-F79 HydrophobicContact CB-CE2 3.67Å; L73-F79 HydrophobicContact CB-CZ 3.66Å; L73-F79 HydrophobicContact CD1-CE1 4.06Å; L73-F79 HydrophobicContact CD1-CZ 3.81Å; L73-F79 HydrophobicContact CG-CZ 4.38Å; Y74-F79 HydrophobicContact CD2-CD2 4.38Å; F79-E83 VanDerWaalsContact CA-OE2 3.29Å; F79-E83 WeakPolarHBondContact CA-OE2 3.5Å; F79-E83 HydrophobicContact CB-CB 3.97Å; F79-E83 HydrophobicContact CD1-CB 3.79Å; F79-E83 HydrophobicContact CG-CB 4.29Å; F79-L84 HydrophobicContact CB-CD2 3.77Å; F79-L84 HydrophobicContact CB-CG 3.81Å; F79-L84 HydrophobicContact CD2-CD2 4.27Å; F79-L84 HydrophobicContact CG-CD2 4.41Å; F79-M87 HydrophobicContact CD2-CG 4.28Å; F79-M87 HydrophobicContact CE1-CG 4.33Å; F79-M87 HydrophobicContact CE2-CG 4.02Å; F79-M87 HydrophobicContact CE2-SD 4.4Å; F79-M87 HydrophobicContact CZ-CG 4.04Å; F79-M87 HydrophobicContact CZ-SD 4.02Å; F79-A130 WeakPolarHBondContact CE1-O 3.33Å; F79-H134 AromaticContact CD1-CD2 3.9Å; F79-H134 AromaticContact CD1-NE2 3.9Å; F79-H134 AromaticContact CE1-CD2 3.94Å
80	S	95.4	Very high	92.2	Very high	39 Å²	39	67.8 Å²	67.8	27%	0.273	35%	0.348	S	S	.	.			trans	-68.1	165.3	166.4	89.9	0	0	0	0	111.2	E82 E83 L84	S80-E82 WeakPolarHBondContact CB-OE2 3.42Å; S80-E82 PolarHBondContact O-N 2.88Å; S80-E82 PolarHBondContact OG-N 2.98Å; S80-E82 PolarHBondContact OG-OE2 3.26Å; S80-E83 PolarHBondContact N-OE2 3.26Å; S80-E83 PolarHBondContact O-N 3.1Å; S80-E83 VanDerWaalsContact O-N 3.15Å; S80-E83 PolarHBondContact OG-N 2.86Å; S80-L84 WeakPolarHBondContact O-CG 3.37Å; S80-L84 PolarHBondContact O-N 3Å
81	P	95.7	Very high	92.3	Very high	91 Å²	91	71.7 Å²	71.7	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-53.6	-40.3	172.9	-26.9	36.4	0	0	0	113.6	L84 L85	P81-L84 PolarHBondContact O-N 3.05Å; P81-L85 WeakPolarHBondContact O-CG 3.3Å; P81-L85 PolarHBondContact O-N 3.44Å; P81-L85 VanDerWaalsContact O-N 3.09Å
82	E	95.9	Very high	92.8	Very high	123 Å²	123	76.3 Å²	76.3	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-67.1	-40.6	178	-59.1	71.6	-154.5	0	0	111.6	S80 L85 L86	S80-E82 WeakPolarHBondContact CB-OE2 3.42Å; S80-E82 PolarHBondContact O-N 2.88Å; S80-E82 PolarHBondContact OG-N 2.98Å; S80-E82 PolarHBondContact OG-OE2 3.26Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L86 PolarHBondContact O-N 2.96Å; E82-L86 VanDerWaalsContact O-N 3.13Å
83	E	96.2	Very high	93.3	Very high	25 Å²	25	76.7 Å²	76.7	12%	0.117	37%	0.371	C	S	.	.	H	α-helix	trans	-69.4	-34.5	176.6	-66.5	167.4	161.4	0	0	111.7	F79 S80 L85 L86 M87 T133 H134	F79-E83 VanDerWaalsContact CA-OE2 3.29Å; F79-E83 WeakPolarHBondContact CA-OE2 3.5Å; F79-E83 HydrophobicContact CB-CB 3.97Å; F79-E83 HydrophobicContact CD1-CB 3.79Å; F79-E83 HydrophobicContact CG-CB 4.29Å; S80-E83 PolarHBondContact N-OE2 3.26Å; S80-E83 PolarHBondContact O-N 3.1Å; S80-E83 VanDerWaalsContact O-N 3.15Å; S80-E83 PolarHBondContact OG-N 2.86Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 2.96Å; E83-L86 WeakPolarHBondContact O-CB 3.46Å; E83-L86 PolarHBondContact O-N 3.05Å; E83-M87 WeakPolarHBondContact O-CG 3.18Å; E83-M87 PolarHBondContact O-N 3.21Å; E83-T133 PolarHBondContact OE1-OG1 3.47Å; E83-H134 IonicContact OE1-CD2 3.55Å; E83-H134 IonicContact OE1-NE2 3.18Å; E83-H134 PolarHBondContact OE1-NE2 2.85Å; E83-H134 IonicContact OE2-CD2 3.6Å; E83-H134 IonicContact OE2-CE1 2.65Å; E83-H134 IonicContact OE2-NE2 2.73Å; E83-H134 PolarHBondContact OE2-NE2 3.19Å
84	L	93.9	Very high	93.6	Very high	76 Å²	76	77.4 Å²	77.4	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-37.8	171.8	-72	172.4	0	0	0	111.8	Y74 F79 S80 P81 L86 M87 E88	Y74-L84 HydrophobicContact CD2-CD2 4.3Å; Y74-L84 HydrophobicContact CE2-CD2 4.07Å; F79-L84 HydrophobicContact CB-CD2 3.77Å; F79-L84 HydrophobicContact CB-CG 3.81Å; F79-L84 HydrophobicContact CD2-CD2 4.27Å; F79-L84 HydrophobicContact CG-CD2 4.41Å; S80-L84 WeakPolarHBondContact O-CG 3.37Å; S80-L84 PolarHBondContact O-N 3Å; P81-L84 PolarHBondContact O-N 3.05Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.39Å; L84-M87 PolarHBondContact O-N 3.31Å; L84-E88 WeakPolarHBondContact O-CB 3.14Å; L84-E88 PolarHBondContact O-N 3.33Å
85	L	95.9	Very high	94.1	Very high	112 Å²	112	73.2 Å²	73.2	59%	0.586	36%	0.362	S	S	*	.	H	α-helix	trans	-64	-37.3	172.6	-68	173.2	0	0	0	112	P81 E82 E83 E88 R89	P81-L85 WeakPolarHBondContact O-CG 3.3Å; P81-L85 PolarHBondContact O-N 3.44Å; P81-L85 VanDerWaalsContact O-N 3.09Å; E82-L85 WeakPolarHBondContact O-CB 3.42Å; E82-L85 PolarHBondContact O-N 3.36Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 2.96Å; L85-E88 PolarHBondContact O-N 3.42Å; L85-R89 WeakPolarHBondContact O-CG 3.29Å; L85-R89 PolarHBondContact O-N 3.13Å; L85-R89 VanDerWaalsContact O-N 3.07Å
86	L	96.3	Very high	94.7	Very high	30 Å²	30	70.7 Å²	70.7	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-66.9	-41.3	173.5	-70.6	169.4	0	0	0	111.7	E82 E83 L84 E88 R89 F90 L126 Q129 A130	E82-L86 PolarHBondContact O-N 2.96Å; E82-L86 VanDerWaalsContact O-N 3.13Å; E83-L86 WeakPolarHBondContact O-CB 3.46Å; E83-L86 PolarHBondContact O-N 3.05Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.39Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 2.92Å; L86-R89 PolarHBondContact O-N 2.97Å; L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 PolarHBondContact O-N 3.29Å; L86-L126 HydrophobicContact CD2-CD2 4.45Å; L86-Q129 HydrophobicContact CD1-CB 3.93Å; L86-Q129 HydrophobicContact CD2-CB 4.33Å; L86-A130 HydrophobicContact CB-CB 3.93Å
87	M	94.7	Very high	95.3	Very high	29 Å²	29	69.1 Å²	69.1	14%	0.143	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-38.1	175.4	-74.6	-55.9	-52.1	0	0	112.2	L70 F79 E83 L84 F90 R91 A130	L70-M87 HydrophobicContact CD1-CE 4.47Å; L70-M87 HydrophobicContact CD2-CE 4.28Å; L70-M87 HydrophobicContact CD2-SD 4.23Å; F79-M87 HydrophobicContact CD2-CG 4.28Å; F79-M87 HydrophobicContact CE1-CG 4.33Å; F79-M87 HydrophobicContact CE2-CG 4.02Å; F79-M87 HydrophobicContact CE2-SD 4.4Å; F79-M87 HydrophobicContact CZ-CG 4.04Å; F79-M87 HydrophobicContact CZ-SD 4.02Å; E83-M87 WeakPolarHBondContact O-CG 3.18Å; E83-M87 PolarHBondContact O-N 3.21Å; L84-M87 PolarHBondContact O-N 3.31Å; M87-F90 HydrophobicContact CE-CD1 3.89Å; M87-F90 HydrophobicContact CE-CE1 4.48Å; M87-F90 WeakPolarHBondContact O-CB 3.34Å; M87-F90 PolarHBondContact O-N 3.13Å; M87-R91 PolarHBondContact O-N 3.05Å; M87-A130 HydrophobicContact CG-CB 4.07Å; M87-A130 HydrophobicContact SD-CB 3.57Å; M87-A130 VanDerWaalsContact SD-CB 3.57Å
88	E	94.5	Very high	95.7	Very high	80 Å²	80	66.6 Å²	66.6	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-40.9	175.2	-178.5	59.5	-163.3	0	0	111.6	L84 L85 L86 F90 R91 K92	L84-E88 WeakPolarHBondContact O-CB 3.14Å; L84-E88 PolarHBondContact O-N 3.33Å; L85-E88 PolarHBondContact O-N 3.42Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 2.92Å; E88-F90 VanDerWaalsContact C-N 3.34Å; E88-R91 PolarHBondContact O-N 2.92Å; E88-K92 WeakPolarHBondContact O-CG 3.11Å; E88-K92 PolarHBondContact O-N 3.34Å; E88-K92 WeakPolarHBondContact OE1-CE 3.21Å; E88-K92 IonicContact OE1-NZ 3.99Å
89	R	97.4	Very high	95.9	Very high	159 Å²	159	65.8 Å²	65.8	60%	0.6	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-41.6	172.2	-71.5	173.5	-176.1	-173.4	2	111.6	L85 L86 K92 K93 L126	L85-R89 WeakPolarHBondContact O-CG 3.29Å; L85-R89 PolarHBondContact O-N 3.13Å; L85-R89 VanDerWaalsContact O-N 3.07Å; L86-R89 PolarHBondContact O-N 2.97Å; R89-K92 PolarHBondContact O-N 3.28Å; R89-K93 WeakPolarHBondContact O-CB 3.34Å; R89-K93 PolarHBondContact O-N 3.13Å; R89-L126 HydrophobicContact CB-CD1 4.35Å; R89-L126 HydrophobicContact CB-CD2 4.08Å
90	F	96.9	Very high	96.1	Very high	29 Å²	29	66.3 Å²	66.3	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-48.7	175	172.1	-103.3	0	0	0	110.9	L86 M87 E88 K92 K93 V94 C123 L126 L127	L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 PolarHBondContact O-N 3.29Å; M87-F90 HydrophobicContact CE-CD1 3.89Å; M87-F90 HydrophobicContact CE-CE1 4.48Å; M87-F90 WeakPolarHBondContact O-CB 3.34Å; M87-F90 PolarHBondContact O-N 3.13Å; E88-F90 VanDerWaalsContact C-N 3.34Å; F90-K92 PolarHBondContact O-N 3.06Å; F90-K93 CarbonylContact O-C 3.59Å; F90-K93 WeakPolarHBondContact O-CB 3.39Å; F90-K93 PolarHBondContact O-N 3.36Å; F90-K93 VanDerWaalsContact O-N 3.09Å; F90-V94 HydrophobicContact CD1-CG2 4.31Å; F90-V94 HydrophobicContact CD2-CG2 4.24Å; F90-V94 HydrophobicContact CE1-CG2 3.85Å; F90-V94 HydrophobicContact CE2-CG2 3.76Å; F90-V94 HydrophobicContact CG-CG2 4.49Å; F90-V94 HydrophobicContact CZ-CG2 3.55Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 3.44Å; F90-C123 WeakPolarHBondContact CD2-O 3.33Å; F90-C123 HydrophobicContact CE2-CB 4.12Å; F90-C123 WeakPolarHBondContact CE2-O 3.39Å; F90-L126 HydrophobicContact CB-CB 4.17Å; F90-L126 HydrophobicContact CD2-CB 4.32Å; F90-L127 HydrophobicContact CD2-CB 4Å; F90-L127 HydrophobicContact CE2-CB 3.86Å; F90-L127 HydrophobicContact CE2-CD2 4.41Å; F90-L127 HydrophobicContact CZ-CD1 4.5Å; F90-L127 HydrophobicContact CZ-CD2 4.42Å
91	R	94.3	Very high	96.2	Very high	99 Å²	99	65.1 Å²	65.1	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-56.6	-49.9	176.5	-174.8	-175.9	174.7	-155.4	-3.5	111.7	M87 E88 K93 V94 H95 D184 I186	M87-R91 PolarHBondContact O-N 3.05Å; E88-R91 PolarHBondContact O-N 2.92Å; R91-K93 PolarHBondContact O-N 3.31Å; R91-V94 PolarHBondContact O-N 3.45Å; R91-V94 VanDerWaalsContact O-N 3.12Å; R91-H95 PolarHBondContact O-N 3.35Å; R91-D184 IonicContact NH2-OD1 2.88Å; R91-D184 PolarHBondContact NH2-OD1 3.25Å; R91-D184 IonicContact NH2-OD2 3.95Å; R91-D184 PolarHBondContact NH2-OD2 2.98Å; R91-I186 PolarHBondContact NE-O 2.91Å
92	K	96.3	Very high	96.3	Very high	129 Å²	129	61.1 Å²	61.1	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-58.2	-37.1	176.6	-72.5	176.8	-179.7	172	0	112.6	E88 R89 F90 T96	E88-K92 WeakPolarHBondContact O-CG 3.11Å; E88-K92 PolarHBondContact O-N 3.34Å; E88-K92 WeakPolarHBondContact OE1-CE 3.21Å; E88-K92 IonicContact OE1-NZ 3.99Å; R89-K92 PolarHBondContact O-N 3.28Å; F90-K92 PolarHBondContact O-N 3.06Å; K92-T96 PolarHBondContact O-N 2.98Å; K92-T96 PolarHBondContact O-OG1 3.43Å
93	K	97.8	Very high	96.4	Very high	52 Å²	52	57.3 Å²	57.3	23%	0.226	28%	0.279	C	S	.	.	H	α-helix	trans	-71.9	-37.9	177.2	-167.4	58.6	54.5	163.1	0	112.1	R89 F90 R91 T96 L97 V119 E122 C123 L126	R89-K93 WeakPolarHBondContact O-CB 3.34Å; R89-K93 PolarHBondContact O-N 3.13Å; F90-K93 CarbonylContact O-C 3.59Å; F90-K93 WeakPolarHBondContact O-CB 3.39Å; F90-K93 PolarHBondContact O-N 3.36Å; F90-K93 VanDerWaalsContact O-N 3.09Å; R91-K93 PolarHBondContact O-N 3.31Å; K93-T96 WeakPolarHBondContact O-CB 3.34Å; K93-T96 PolarHBondContact O-N 3.07Å; K93-L97 WeakPolarHBondContact O-CB 3.48Å; K93-L97 PolarHBondContact O-N 3.16Å; K93-V119 HydrophobicContact CD-CG1 3.96Å; K93-V119 HydrophobicContact CG-CG1 4.44Å; K93-E122 HydrophobicContact CD-CB 4.21Å; K93-E122 VanDerWaalsContact CE-OE2 3.26Å; K93-E122 WeakPolarHBondContact CE-OE2 3.31Å; K93-E122 HydrophobicContact CG-CB 4.22Å; K93-E122 IonicContact NZ-OE2 2.67Å; K93-E122 PolarHBondContact NZ-OE2 2.88Å; K93-C123 VanDerWaalsContact CG-SG 3.53Å; K93-L126 HydrophobicContact CB-CD1 3.93Å; K93-L126 HydrophobicContact CG-CD1 4.25Å
94	V	96.4	Very high	96.5	Very high	33 Å²	33	57.6 Å²	57.6	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-41.9	171.9	171.9	0	0	0	0	111	F90 R91 T96 L97 A98 I186	F90-V94 HydrophobicContact CD1-CG2 4.31Å; F90-V94 HydrophobicContact CD2-CG2 4.24Å; F90-V94 HydrophobicContact CE1-CG2 3.85Å; F90-V94 HydrophobicContact CE2-CG2 3.76Å; F90-V94 HydrophobicContact CG-CG2 4.49Å; F90-V94 HydrophobicContact CZ-CG2 3.55Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 3.44Å; R91-V94 PolarHBondContact O-N 3.45Å; R91-V94 VanDerWaalsContact O-N 3.12Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 2.99Å; V94-L97 WeakPolarHBondContact O-CB 3.41Å; V94-L97 PolarHBondContact O-N 2.79Å; V94-A98 WeakPolarHBondContact O-CB 3.19Å; V94-A98 PolarHBondContact O-N 3.48Å; V94-I186 HydrophobicContact CG1-CG1 4.2Å
95	H	94.9	Very high	96.6	Very high	71 Å²	71	56.9 Å²	56.9	33%	0.329	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-42.6	172.8	-173.5	-68	0	0	0	111.6	R91 L97 A98 M99 I186	R91-H95 PolarHBondContact O-N 3.35Å; H95-L97 VanDerWaalsContact C-N 3.35Å; H95-L97 PolarHBondContact O-N 3.11Å; H95-A98 PolarHBondContact O-N 3.19Å; H95-M99 WeakPolarHBondContact O-CG 3.19Å; H95-M99 PolarHBondContact O-N 2.88Å; H95-I186 HydrophobicContact CB-CG2 4.05Å
96	T	97	Very high	96.5	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-43.6	174.6	-56.6	0	0	0	0	111.5	K92 K93 V94 A98 M99 T100	K92-T96 PolarHBondContact O-N 2.98Å; K92-T96 PolarHBondContact O-OG1 3.43Å; K93-T96 WeakPolarHBondContact O-CB 3.34Å; K93-T96 PolarHBondContact O-N 3.07Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 2.99Å; T96-A98 PolarHBondContact O-N 3.08Å; T96-M99 PolarHBondContact O-N 2.78Å; T96-T100 WeakPolarHBondContact O-CB 3.47Å; T96-T100 PolarHBondContact O-N 3.26Å; T96-T100 PolarHBondContact O-OG1 3.06Å
97	L	98	Very high	96.4	Very high	31 Å²	31	60.6 Å²	60.6	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-47.9	176.1	174.1	61.2	0	0	0	111.5	K93 V94 H95 T100 A101 M116 V119 L120	K93-L97 WeakPolarHBondContact O-CB 3.48Å; K93-L97 PolarHBondContact O-N 3.16Å; V94-L97 WeakPolarHBondContact O-CB 3.41Å; V94-L97 PolarHBondContact O-N 2.79Å; H95-L97 VanDerWaalsContact C-N 3.35Å; H95-L97 PolarHBondContact O-N 3.11Å; L97-T100 PolarHBondContact O-N 3.4Å; L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.24Å; L97-M116 HydrophobicContact CD1-CE 4.43Å; L97-M116 HydrophobicContact CD1-SD 3.37Å; L97-M116 WeakPolarHBondContact CD1-SD 3.43Å; L97-V119 HydrophobicContact CB-CG1 3.71Å; L97-V119 HydrophobicContact CD1-CB 4.44Å; L97-V119 HydrophobicContact CD1-CG1 4.01Å; L97-V119 HydrophobicContact CG-CG1 4.44Å; L97-L120 HydrophobicContact CD1-CD2 3.96Å; L97-L120 HydrophobicContact CD1-CG 3.8Å; L97-L120 HydrophobicContact CD2-CD2 3.57Å; L97-L120 HydrophobicContact CD2-CG 4.26Å; L97-L120 HydrophobicContact CG-CD2 4.42Å
98	A	97.3	Very high	96	Very high	8 Å²	8	65.4 Å²	65.4	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-50.3	179.5	0	0	0	0	0	112.2	V94 H95 T96 T100 A101 V102 V177 L181 I186	V94-A98 WeakPolarHBondContact O-CB 3.19Å; V94-A98 PolarHBondContact O-N 3.48Å; H95-A98 PolarHBondContact O-N 3.19Å; T96-A98 PolarHBondContact O-N 3.08Å; A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 2.94Å; A98-A101 PolarHBondContact O-N 3.03Å; A98-V102 WeakPolarHBondContact O-CG2 3.27Å; A98-V102 PolarHBondContact O-N 3.29Å; A98-V177 HydrophobicContact CB-CG1 3.58Å; A98-L181 HydrophobicContact CB-CD1 4.01Å; A98-L181 HydrophobicContact CB-CD2 4Å; A98-L181 HydrophobicContact CB-CG 4.15Å; A98-I186 HydrophobicContact CB-CD1 3.37Å
99	M	96.8	Very high	95.8	Very high	88 Å²	88	71.8 Å²	71.8	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-42.2	175.7	-70.4	-63.3	-62.9	0	0	111.9	H95 T96 S103 L181	H95-M99 WeakPolarHBondContact O-CG 3.19Å; H95-M99 PolarHBondContact O-N 2.88Å; T96-M99 PolarHBondContact O-N 2.78Å; M99-S103 VanDerWaalsContact O-CB 3.32Å; M99-S103 WeakPolarHBondContact O-CB 3.46Å; M99-S103 PolarHBondContact O-N 3.24Å; M99-S103 PolarHBondContact O-OG 3.09Å; M99-L181 HydrophobicContact CG-CD1 4.34Å; M99-L181 HydrophobicContact CG-CD2 4.11Å; M99-L181 HydrophobicContact SD-CD1 3.66Å; M99-L181 HydrophobicContact SD-CD2 3.94Å; M99-L181 HydrophobicContact SD-CG 4.37Å
100	T	97.4	Very high	95.7	Very high	27 Å²	27	66.9 Å²	66.9	17%	0.166	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-43.3	178.8	-55.8	0	0	0	0	110.9	T96 L97 A98 S103 F104 V115 M116	T96-T100 WeakPolarHBondContact O-CB 3.47Å; T96-T100 PolarHBondContact O-N 3.26Å; T96-T100 PolarHBondContact O-OG1 3.06Å; L97-T100 PolarHBondContact O-N 3.4Å; A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 2.94Å; T100-S103 PolarHBondContact O-N 3.12Å; T100-F104 HydrophobicContact CG2-CD2 3.84Å; T100-F104 HydrophobicContact CG2-CE1 4.31Å; T100-F104 HydrophobicContact CG2-CE2 3.47Å; T100-F104 VanDerWaalsContact CG2-CE2 3.47Å; T100-F104 HydrophobicContact CG2-CG 4.42Å; T100-F104 HydrophobicContact CG2-CZ 3.74Å; T100-F104 WeakPolarHBondContact O-CB 3.34Å; T100-F104 WeakPolarHBondContact O-CG 3.49Å; T100-F104 PolarHBondContact O-N 2.98Å; T100-V115 HydrophobicContact CG2-CG1 4.38Å; T100-M116 HydrophobicContact CG2-CE 3.91Å
101	A	97.4	Very high	95.7	Very high	15 Å²	15	68.2 Å²	68.2	12%	0.124	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-46.9	179.8	0	0	0	0	0	111.9	L97 A98 F104 H105 M116 Y160	L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.24Å; A98-A101 PolarHBondContact O-N 3.03Å; A101-F104 PolarHBondContact O-N 3.44Å; A101-H105 PolarHBondContact O-N 2.88Å; A101-M116 HydrophobicContact CB-CE 3.86Å; A101-Y160 WeakPolarHBondContact CA-OH 3.21Å; A101-Y160 WeakPolarHBondContact CB-OH 3.38Å; A101-Y160 PolarHBondContact O-OH 2.91Å
102	V	97.5	Very high	95.9	Very high	6 Å²	6	66.7 Å²	66.7	4%	0.036	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-45.1	176.4	174.3	0	0	0	0	111	A98 F104 H105 Q106 C174 V177 N178 L181	A98-V102 WeakPolarHBondContact O-CG2 3.27Å; A98-V102 PolarHBondContact O-N 3.29Å; V102-F104 PolarHBondContact O-N 3.02Å; V102-H105 PolarHBondContact O-N 3.38Å; V102-H105 VanDerWaalsContact O-N 3.11Å; V102-Q106 VanDerWaalsContact CG1-CD 3.45Å; V102-Q106 HydrophobicContact CG1-CG 4.1Å; V102-Q106 VanDerWaalsContact CG1-NE2 3.32Å; V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 WeakPolarHBondContact O-CG 3.46Å; V102-Q106 PolarHBondContact O-N 2.85Å; V102-C174 HydrophobicContact CG2-CB 4.33Å; V102-V177 HydrophobicContact CG2-CB 4.2Å; V102-V177 HydrophobicContact CG2-CG1 3.8Å; V102-N178 HydrophobicContact CG2-CB 4.31Å; V102-L181 HydrophobicContact CG2-CD1 4.36Å
103	S	97.3	Very high	96	Very high	43 Å²	43	64.4 Å²	64.4	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-43.7	180	-57.9	0	0	0	0	112.3	M99 T100 H105 Q106 I107	M99-S103 VanDerWaalsContact O-CB 3.32Å; M99-S103 WeakPolarHBondContact O-CB 3.46Å; M99-S103 PolarHBondContact O-N 3.24Å; M99-S103 PolarHBondContact O-OG 3.09Å; T100-S103 PolarHBondContact O-N 3.12Å; S103-H105 PolarHBondContact O-N 3.1Å; S103-Q106 PolarHBondContact O-N 2.86Å; S103-I107 WeakPolarHBondContact O-CG1 3.24Å; S103-I107 PolarHBondContact O-N 3.25Å
104	F	97.8	Very high	96	Very high	32 Å²	32	69.9 Å²	69.9	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-24	177	-74.5	-16.6	0	0	0	113.7	T100 A101 V102 T110 F111 D112 V115 M116 Y160	T100-F104 HydrophobicContact CG2-CD2 3.84Å; T100-F104 HydrophobicContact CG2-CE1 4.31Å; T100-F104 HydrophobicContact CG2-CE2 3.47Å; T100-F104 VanDerWaalsContact CG2-CE2 3.47Å; T100-F104 HydrophobicContact CG2-CG 4.42Å; T100-F104 HydrophobicContact CG2-CZ 3.74Å; T100-F104 WeakPolarHBondContact O-CB 3.34Å; T100-F104 WeakPolarHBondContact O-CG 3.49Å; T100-F104 PolarHBondContact O-N 2.98Å; A101-F104 PolarHBondContact O-N 3.44Å; V102-F104 PolarHBondContact O-N 3.02Å; F104-T110 WeakPolarHBondContact CD1-O 3.42Å; F104-T110 WeakPolarHBondContact CE1-O 3.33Å; F104-F111 HydrophobicContact CB-CB 4.27Å; F104-F111 HydrophobicContact CB-CD2 4.19Å; F104-F111 AromaticContact CD2-CD2 3.72Å; F104-F111 HydrophobicContact CD2-CD2 3.72Å; F104-F111 HydrophobicContact CD2-CE2 4.4Å; F104-F111 HydrophobicContact CE2-CD2 4.32Å; F104-F111 HydrophobicContact CG-CB 4.41Å; F104-F111 HydrophobicContact CG-CD2 4.15Å; F104-D112 HydrophobicContact CZ-CB 4.24Å; F104-V115 HydrophobicContact CE2-CB 4.39Å; F104-V115 HydrophobicContact CE2-CG1 4.36Å; F104-V115 HydrophobicContact CZ-CB 4.06Å; F104-V115 HydrophobicContact CZ-CG1 3.96Å; F104-M116 HydrophobicContact CD2-CE 3.72Å; F104-M116 HydrophobicContact CE2-CB 4.19Å; F104-M116 HydrophobicContact CE2-CE 4.1Å; F104-Y160 HydrophobicContact CB-CD1 4.03Å; F104-Y160 HydrophobicContact CB-CE1 3.49Å; F104-Y160 VanDerWaalsContact CB-CE1 3.49Å
105	H	96.4	Very high	96.1	Very high	60 Å²	60	71.3 Å²	71.3	28%	0.278	35%	0.352	S	S	.	.	H	α-helix	trans	-82.9	-40	173.4	176.7	51.3	0	0	0	112.5	A101 V102 S103 L170 C174	A101-H105 PolarHBondContact O-N 2.88Å; V102-H105 PolarHBondContact O-N 3.38Å; V102-H105 VanDerWaalsContact O-N 3.11Å; S103-H105 PolarHBondContact O-N 3.1Å; H105-L170 HydrophobicContact CB-CD2 4.31Å; H105-L170 HydrophobicContact CB-CG 4.36Å; H105-C174 HydrophobicContact CB-CB 4.28Å; H105-C174 WeakPolarHBondContact CB-SG 3.42Å
106	Q	93.9	Very high	96.2	Very high	125 Å²	125	68.2 Å²	68.2	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-80.9	-25.8	-173.8	-71.8	179.2	-10.5	0	0	113.8	V102 S103	V102-Q106 VanDerWaalsContact CG1-CD 3.45Å; V102-Q106 HydrophobicContact CG1-CG 4.1Å; V102-Q106 VanDerWaalsContact CG1-NE2 3.32Å; V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 WeakPolarHBondContact O-CG 3.46Å; V102-Q106 PolarHBondContact O-N 2.85Å; S103-Q106 PolarHBondContact O-N 2.86Å
107	I	94.5	Very high	96.3	Very high	96 Å²	96	65.8 Å²	65.8	49%	0.492	32%	0.323	S	S	.	.	S	Bend	trans	-111.8	110.7	-176.6	-46.8	174.3	0	0	0	109.4	S103 T110	S103-I107 WeakPolarHBondContact O-CG1 3.24Å; S103-I107 PolarHBondContact O-N 3.25Å; I107-T110 HydrophobicContact CB-CG2 3.74Å; I107-T110 HydrophobicContact CG2-CG2 3.39Å; I107-T110 PolarHBondContact O-N 2.79Å; I107-T110 PolarHBondContact O-OG1 3.37Å
108	D	87	Confident	96.3	Very high	129 Å²	129	67 Å²	67	69%	0.69	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	142.9	-179.4	-69.4	-32.2	0	0	0	112.2	T110	D108-T110 PolarHBondContact O-N 2.94Å; D108-T110 VanDerWaalsContact O-N 3.12Å
109	F	89.5	Confident	96.4	Very high	215 Å²	215	67.3 Å²	67.3	94%	0.943	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.2	176.6	-46.9	-74.8	0	0	0	116.1
110	T	94.9	Very high	96.5	Very high	55 Å²	55	63.9 Å²	63.9	34%	0.337	32%	0.318	S	S	.	.			trans	-94.7	-14.9	177.8	62.5	0	0	0	0	114.8	F104 I107 D108 D112	F104-T110 WeakPolarHBondContact CD1-O 3.42Å; F104-T110 WeakPolarHBondContact CE1-O 3.33Å; I107-T110 HydrophobicContact CB-CG2 3.74Å; I107-T110 HydrophobicContact CG2-CG2 3.39Å; I107-T110 PolarHBondContact O-N 2.79Å; I107-T110 PolarHBondContact O-OG1 3.37Å; D108-T110 PolarHBondContact O-N 2.94Å; D108-T110 VanDerWaalsContact O-N 3.12Å; T110-D112 PolarHBondContact O-N 2.95Å
111	F	97.7	Very high	96.5	Very high	58 Å²	58	64.4 Å²	64.4	25%	0.254	32%	0.322	S	S	.	.			trans	-59.8	122	-176.1	170.2	-110.7	0	0	0	112.5	F104 R113 M116 L156 Y160	F104-F111 HydrophobicContact CB-CB 4.27Å; F104-F111 HydrophobicContact CB-CD2 4.19Å; F104-F111 AromaticContact CD2-CD2 3.72Å; F104-F111 HydrophobicContact CD2-CD2 3.72Å; F104-F111 HydrophobicContact CD2-CE2 4.4Å; F104-F111 HydrophobicContact CE2-CD2 4.32Å; F104-F111 HydrophobicContact CG-CB 4.41Å; F104-F111 HydrophobicContact CG-CD2 4.15Å; F111-R113 HydrophobicContact CE1-CB 4.03Å; F111-R113 HydrophobicContact CE2-CB 4.48Å; F111-R113 HydrophobicContact CZ-CB 3.65Å; F111-M116 HydrophobicContact CE2-CB 4.48Å; F111-L156 HydrophobicContact CZ-CB 4Å; F111-L156 WeakPolarHBondContact CZ-O 3.45Å; F111-Y160 HydrophobicContact CB-CD1 4.22Å; F111-Y160 HydrophobicContact CB-CG 4.49Å; F111-Y160 HydrophobicContact CD1-CG 4.21Å; F111-Y160 AromaticContact CD2-CD1 3.48Å; F111-Y160 HydrophobicContact CD2-CD1 3.48Å; F111-Y160 VanDerWaalsContact CD2-CD1 3.48Å; F111-Y160 AromaticContact CD2-CD2 3.68Å; F111-Y160 HydrophobicContact CD2-CD2 3.68Å; F111-Y160 AromaticContact CD2-CE1 3.99Å; F111-Y160 HydrophobicContact CD2-CE1 3.99Å; F111-Y160 HydrophobicContact CD2-CE2 4.16Å; F111-Y160 AromaticContact CD2-CG 3.31Å; F111-Y160 HydrophobicContact CD2-CG 3.31Å; F111-Y160 HydrophobicContact CE1-CG 4.28Å; F111-Y160 HydrophobicContact CE2-CD1 4.03Å; F111-Y160 AromaticContact CE2-CD2 3.29Å; F111-Y160 HydrophobicContact CE2-CD2 3.29Å; F111-Y160 HydrophobicContact CE2-CE1 4.47Å; F111-Y160 AromaticContact CE2-CE2 3.8Å; F111-Y160 HydrophobicContact CE2-CE2 3.8Å; F111-Y160 AromaticContact CE2-CG 3.42Å; F111-Y160 HydrophobicContact CE2-CG 3.42Å; F111-Y160 VanDerWaalsContact CE2-CG 3.42Å; F111-Y160 AromaticContact CG-CD1 3.9Å; F111-Y160 HydrophobicContact CG-CD1 3.9Å; F111-Y160 HydrophobicContact CG-CD2 4.46Å; F111-Y160 AromaticContact CG-CG 3.74Å; F111-Y160 HydrophobicContact CG-CG 3.74Å; F111-Y160 AromaticContact CZ-CD2 3.79Å; F111-Y160 HydrophobicContact CZ-CD2 3.79Å; F111-Y160 AromaticContact CZ-CG 3.92Å; F111-Y160 HydrophobicContact CZ-CG 3.92Å
112	D	98	Very high	96.6	Very high	66 Å²	66	67.1 Å²	67.1	35%	0.353	33%	0.332	S	S	.	.			trans	-123.3	110.6	170.4	-172.5	-21.1	0	0	0	110.7	F104 T110 R114 V115 M116	F104-D112 HydrophobicContact CZ-CB 4.24Å; T110-D112 PolarHBondContact O-N 2.95Å; D112-R114 PolarHBondContact O-N 3.34Å; D112-R114 WeakPolarHBondContact OD1-CA 3.26Å; D112-R114 VanDerWaalsContact OD1-CB 3.27Å; D112-R114 WeakPolarHBondContact OD1-CB 3.29Å; D112-R114 PolarHBondContact OD1-N 3.16Å; D112-V115 HydrophobicContact CB-CB 4.12Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 PolarHBondContact O-N 2.92Å; D112-M116 PolarHBondContact O-N 3.35Å
113	R	97.8	Very high	96.6	Very high	81 Å²	81	66.9 Å²	66.9	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-30.6	178.1	69.8	-172.3	-175.4	153.3	0.3	113.5	F111 S117 Y153 E154 L156 S157	F111-R113 HydrophobicContact CE1-CB 4.03Å; F111-R113 HydrophobicContact CE2-CB 4.48Å; F111-R113 HydrophobicContact CZ-CB 3.65Å; R113-S117 WeakPolarHBondContact O-CB 3.37Å; R113-S117 PolarHBondContact O-N 3.09Å; R113-Y153 HydrophobicContact CG-CD2 4.33Å; R113-Y153 HydrophobicContact CG-CG 4.34Å; R113-E154 IonicContact CZ-OE1 3.76Å; R113-E154 IonicContact NH1-OE1 2.82Å; R113-E154 PolarHBondContact NH1-OE1 3.33Å; R113-L156 HydrophobicContact CB-CB 4.26Å; R113-S157 VanDerWaalsContact CD-OG 3.24Å; R113-S157 WeakPolarHBondContact CD-OG 3.38Å
114	R	98.3	Very high	96.7	Very high	167 Å²	167	67.3 Å²	67.3	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-70.6	-43.9	179.2	-60.9	178	176.8	179.5	0.3	110.4	D112 S118 Y153	D112-R114 PolarHBondContact O-N 3.34Å; D112-R114 WeakPolarHBondContact OD1-CA 3.26Å; D112-R114 VanDerWaalsContact OD1-CB 3.27Å; D112-R114 WeakPolarHBondContact OD1-CB 3.29Å; D112-R114 PolarHBondContact OD1-N 3.16Å; R114-S118 VanDerWaalsContact O-CB 3.31Å; R114-S118 WeakPolarHBondContact O-CB 3.4Å; R114-S118 PolarHBondContact O-N 3.03Å; R114-Y153 HydrophobicContact CG-CE2 4.04Å
115	V	98.3	Very high	96.7	Very high	64 Å²	64	68.8 Å²	68.8	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-52.1	175.8	174.4	0	0	0	0	109.9	T100 F104 D112 S117 S118 V119	T100-V115 HydrophobicContact CG2-CG1 4.38Å; F104-V115 HydrophobicContact CE2-CB 4.39Å; F104-V115 HydrophobicContact CE2-CG1 4.36Å; F104-V115 HydrophobicContact CZ-CB 4.06Å; F104-V115 HydrophobicContact CZ-CG1 3.96Å; D112-V115 HydrophobicContact CB-CB 4.12Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 PolarHBondContact O-N 2.92Å; V115-S117 PolarHBondContact O-N 2.7Å; V115-S118 WeakPolarHBondContact O-CB 3.42Å; V115-S118 PolarHBondContact O-N 3.5Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 3.02Å
116	M	98.3	Very high	96.8	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-47.4	-179.9	-178.2	55.1	66.3	0	0	112.1	L97 T100 A101 F104 F111 D112 S118 V119 L120 L156	L97-M116 HydrophobicContact CD1-CE 4.43Å; L97-M116 HydrophobicContact CD1-SD 3.37Å; L97-M116 WeakPolarHBondContact CD1-SD 3.43Å; T100-M116 HydrophobicContact CG2-CE 3.91Å; A101-M116 HydrophobicContact CB-CE 3.86Å; F104-M116 HydrophobicContact CD2-CE 3.72Å; F104-M116 HydrophobicContact CE2-CB 4.19Å; F104-M116 HydrophobicContact CE2-CE 4.1Å; F111-M116 HydrophobicContact CE2-CB 4.48Å; D112-M116 PolarHBondContact O-N 3.35Å; M116-S118 PolarHBondContact O-N 3.25Å; M116-V119 PolarHBondContact O-N 2.92Å; M116-L120 HydrophobicContact CG-CD1 4.05Å; M116-L120 WeakPolarHBondContact O-CG 3.18Å; M116-L120 PolarHBondContact O-N 2.83Å; M116-L120 HydrophobicContact SD-CD1 4.18Å; M116-L156 HydrophobicContact CB-CD1 4.07Å; M116-L156 HydrophobicContact CB-CD2 4.47Å; M116-L156 HydrophobicContact CG-CD1 3.87Å; M116-L156 HydrophobicContact CG-CD2 3.54Å; M116-L156 HydrophobicContact CG-CG 4.34Å
117	S	98.6	Very high	97	Very high	11 Å²	11	61.4 Å²	61.4	8%	0.077	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-37.9	178.2	-177	0	0	0	0	113	R113 V115 L120 T121 A151 Y153	R113-S117 WeakPolarHBondContact O-CB 3.37Å; R113-S117 PolarHBondContact O-N 3.09Å; V115-S117 PolarHBondContact O-N 2.7Å; S117-L120 PolarHBondContact O-N 3.27Å; S117-T121 WeakPolarHBondContact O-CB 3.43Å; S117-T121 PolarHBondContact O-N 3.46Å; S117-T121 PolarHBondContact O-OG1 3.25Å; S117-A151 WeakPolarHBondContact CB-O 3.08Å; S117-A151 PolarHBondContact OG-O 3.11Å; S117-Y153 VanDerWaalsContact OG-CE1 3.25Å; S117-Y153 WeakPolarHBondContact OG-CE1 3.32Å
118	S	98.6	Very high	97.2	Very high	57 Å²	57	58.7 Å²	58.7	40%	0.399	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-48.8	174.7	-169.5	0	0	0	0	111	R114 V115 M116 L120 T121 E122	R114-S118 VanDerWaalsContact O-CB 3.31Å; R114-S118 WeakPolarHBondContact O-CB 3.4Å; R114-S118 PolarHBondContact O-N 3.03Å; V115-S118 WeakPolarHBondContact O-CB 3.42Å; V115-S118 PolarHBondContact O-N 3.5Å; M116-S118 PolarHBondContact O-N 3.25Å; S118-L120 VanDerWaalsContact C-N 3.34Å; S118-L120 PolarHBondContact O-N 3.41Å; S118-T121 WeakPolarHBondContact O-CB 3.45Å; S118-T121 PolarHBondContact O-N 2.74Å; S118-T121 VanDerWaalsContact O-N 3.12Å; S118-E122 WeakPolarHBondContact O-CG 3.45Å; S118-E122 PolarHBondContact O-N 3.29Å; S118-E122 PolarHBondContact OG-OE1 3.23Å
119	V	98.4	Very high	97.7	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-41.7	-179.8	178.6	0	0	0	0	111.3	K93 L97 V115 M116 T121 E122 C123	K93-V119 HydrophobicContact CD-CG1 3.96Å; K93-V119 HydrophobicContact CG-CG1 4.44Å; L97-V119 HydrophobicContact CB-CG1 3.71Å; L97-V119 HydrophobicContact CD1-CB 4.44Å; L97-V119 HydrophobicContact CD1-CG1 4.01Å; L97-V119 HydrophobicContact CG-CG1 4.44Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 3.02Å; M116-V119 PolarHBondContact O-N 2.92Å; V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 PolarHBondContact O-N 2.98Å; V119-E122 PolarHBondContact O-N 3.47Å; V119-C123 PolarHBondContact O-N 3.2Å
120	L	98.7	Very high	98	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-40.5	173.8	-77.4	161.1	0	0	0	112.4	L97 M116 S117 S118 C123 R124 F147 F150 A151 L156	L97-L120 HydrophobicContact CD1-CD2 3.96Å; L97-L120 HydrophobicContact CD1-CG 3.8Å; L97-L120 HydrophobicContact CD2-CD2 3.57Å; L97-L120 HydrophobicContact CD2-CG 4.26Å; L97-L120 HydrophobicContact CG-CD2 4.42Å; M116-L120 HydrophobicContact CG-CD1 4.05Å; M116-L120 WeakPolarHBondContact O-CG 3.18Å; M116-L120 PolarHBondContact O-N 2.83Å; M116-L120 HydrophobicContact SD-CD1 4.18Å; S117-L120 PolarHBondContact O-N 3.27Å; S118-L120 VanDerWaalsContact C-N 3.34Å; S118-L120 PolarHBondContact O-N 3.41Å; L120-C123 WeakPolarHBondContact O-CB 3.06Å; L120-C123 PolarHBondContact O-N 2.69Å; L120-R124 PolarHBondContact O-N 3.43Å; L120-F147 HydrophobicContact CB-CD1 4.42Å; L120-F147 HydrophobicContact CD2-CD1 4.25Å; L120-F147 HydrophobicContact CD2-CE1 4.34Å; L120-F147 WeakPolarHBondContact O-CD1 3.22Å; L120-F147 WeakPolarHBondContact O-CE1 3.43Å; L120-F150 HydrophobicContact CD1-CB 4.29Å; L120-F150 WeakPolarHBondContact CD1-O 3.19Å; L120-F150 HydrophobicContact CD2-CB 4.3Å; L120-A151 HydrophobicContact CB-CB 3.86Å; L120-A151 HydrophobicContact CD1-CB 4.25Å; L120-L156 HydrophobicContact CD1-CD2 4.41Å
121	T	98.6	Very high	98	Very high	39 Å²	39	44.8 Å²	44.8	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-39.3	177.8	-58.8	0	0	0	0	111.3	S117 S118 V119 R124 D125	S117-T121 WeakPolarHBondContact O-CB 3.43Å; S117-T121 PolarHBondContact O-N 3.46Å; S117-T121 PolarHBondContact O-OG1 3.25Å; S118-T121 WeakPolarHBondContact O-CB 3.45Å; S118-T121 PolarHBondContact O-N 2.74Å; S118-T121 VanDerWaalsContact O-N 3.12Å; V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 PolarHBondContact O-N 2.98Å; T121-R124 VanDerWaalsContact O-CB 3.27Å; T121-R124 WeakPolarHBondContact O-CB 3.48Å; T121-R124 PolarHBondContact O-N 3.18Å; T121-D125 VanDerWaalsContact O-CG 3.26Å; T121-D125 PolarHBondContact O-N 3.02Å
122	E	98.6	Very high	97.9	Very high	72 Å²	72	47.2 Å²	47.2	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-42.1	173.5	-72.2	170.3	-138.1	0	0	112	K93 S118 V119 R124 D125 L126	K93-E122 HydrophobicContact CD-CB 4.21Å; K93-E122 VanDerWaalsContact CE-OE2 3.26Å; K93-E122 WeakPolarHBondContact CE-OE2 3.31Å; K93-E122 HydrophobicContact CG-CB 4.22Å; K93-E122 IonicContact NZ-OE2 2.67Å; K93-E122 PolarHBondContact NZ-OE2 2.88Å; S118-E122 WeakPolarHBondContact O-CG 3.45Å; S118-E122 PolarHBondContact O-N 3.29Å; S118-E122 PolarHBondContact OG-OE1 3.23Å; V119-E122 PolarHBondContact O-N 3.47Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.35Å; E122-D125 PolarHBondContact O-N 2.8Å; E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 WeakPolarHBondContact O-CG 3.47Å; E122-L126 PolarHBondContact O-N 3.5Å
123	C	98.5	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.8	-46.6	171	-79.8	0	0	0	0	111.3	F90 K93 V119 L120 L127 F147	F90-C123 WeakPolarHBondContact CD2-O 3.33Å; F90-C123 HydrophobicContact CE2-CB 4.12Å; F90-C123 WeakPolarHBondContact CE2-O 3.39Å; K93-C123 VanDerWaalsContact CG-SG 3.53Å; V119-C123 PolarHBondContact O-N 3.2Å; L120-C123 WeakPolarHBondContact O-CB 3.06Å; L120-C123 PolarHBondContact O-N 2.69Å; C123-L127 VanDerWaalsContact O-CB 3.28Å; C123-L127 WeakPolarHBondContact O-CB 3.26Å; C123-L127 PolarHBondContact O-N 3.35Å; C123-F147 HydrophobicContact CB-CD1 4.42Å; C123-F147 HydrophobicContact CB-CE1 3.51Å; C123-F147 HydrophobicContact CB-CZ 3.95Å
124	R	98.6	Very high	97.5	Very high	52 Å²	52	47.6 Å²	47.6	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-56.9	-52.1	177.6	-171.3	-164.1	66	-166.7	-4.4	110.6	L120 T121 E122 L127 H128 I143 F147 N148	L120-R124 PolarHBondContact O-N 3.43Å; T121-R124 VanDerWaalsContact O-CB 3.27Å; T121-R124 WeakPolarHBondContact O-CB 3.48Å; T121-R124 PolarHBondContact O-N 3.18Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.35Å; R124-L127 WeakPolarHBondContact O-CB 3.45Å; R124-L127 PolarHBondContact O-N 3.37Å; R124-H128 PolarHBondContact O-CD2 3.48Å; R124-H128 VanDerWaalsContact O-CD2 3.23Å; R124-H128 PolarHBondContact O-N 3.31Å; R124-I143 HydrophobicContact CG-CG2 3.8Å; R124-F147 HydrophobicContact CB-CB 3.69Å; R124-F147 HydrophobicContact CB-CD1 3.88Å; R124-F147 HydrophobicContact CB-CD2 3.84Å; R124-F147 HydrophobicContact CB-CE1 4.46Å; R124-F147 HydrophobicContact CB-CE2 4.43Å; R124-F147 HydrophobicContact CB-CG 3.52Å; R124-F147 HydrophobicContact CG-CB 3.6Å; R124-F147 HydrophobicContact CG-CD2 3.83Å; R124-F147 HydrophobicContact CG-CG 3.77Å; R124-N148 PolarHBondContact NH1-OD1 2.92Å; R124-N148 VanDerWaalsContact NH1-OD1 3.09Å
125	D	98.6	Very high	97.3	Very high	64 Å²	64	40.6 Å²	40.6	34%	0.342	22%	0.217	S	C	.	.	H	α-helix	trans	-70.1	-37.9	-171.9	-65.6	-9.7	0	0	0	112.1	T121 E122 L127 H128 Q129	T121-D125 VanDerWaalsContact O-CG 3.26Å; T121-D125 PolarHBondContact O-N 3.02Å; E122-D125 PolarHBondContact O-N 2.8Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-H128 PolarHBondContact O-N 3.48Å; D125-Q129 WeakPolarHBondContact O-CG 3.36Å; D125-Q129 PolarHBondContact O-N 3.03Å; D125-Q129 VanDerWaalsContact O-N 3.1Å; D125-Q129 PolarHBondContact O-NE2 3Å
126	L	98.3	Very high	97.2	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.141	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-43.5	170.8	-75.1	169.1	0	0	0	111.3	L86 R89 F90 K93 E122 Q129 A130	L86-L126 HydrophobicContact CD2-CD2 4.45Å; R89-L126 HydrophobicContact CB-CD1 4.35Å; R89-L126 HydrophobicContact CB-CD2 4.08Å; F90-L126 HydrophobicContact CB-CB 4.17Å; F90-L126 HydrophobicContact CD2-CB 4.32Å; K93-L126 HydrophobicContact CB-CD1 3.93Å; K93-L126 HydrophobicContact CG-CD1 4.25Å; E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 WeakPolarHBondContact O-CG 3.47Å; E122-L126 PolarHBondContact O-N 3.5Å; L126-Q129 PolarHBondContact O-N 3.06Å; L126-A130 PolarHBondContact O-N 3.15Å
127	L	97.6	Very high	97.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-40.9	178.6	179.9	60.7	0	0	0	111.9	I66 L70 F90 C123 R124 D125 Q129 A130 V131 I143 F147	I66-L127 HydrophobicContact CG2-CD2 3.77Å; L70-L127 HydrophobicContact CD1-CD1 3.65Å; L70-L127 HydrophobicContact CD2-CD1 3.75Å; L70-L127 HydrophobicContact CG-CD1 4.2Å; F90-L127 HydrophobicContact CD2-CB 4Å; F90-L127 HydrophobicContact CE2-CB 3.86Å; F90-L127 HydrophobicContact CE2-CD2 4.41Å; F90-L127 HydrophobicContact CZ-CD1 4.5Å; F90-L127 HydrophobicContact CZ-CD2 4.42Å; C123-L127 VanDerWaalsContact O-CB 3.28Å; C123-L127 WeakPolarHBondContact O-CB 3.26Å; C123-L127 PolarHBondContact O-N 3.35Å; R124-L127 WeakPolarHBondContact O-CB 3.45Å; R124-L127 PolarHBondContact O-N 3.37Å; D125-L127 VanDerWaalsContact C-N 3.33Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.49Å; L127-A130 PolarHBondContact O-N 3.48Å; L127-V131 HydrophobicContact CD1-CG1 3.85Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.43Å; L127-I143 HydrophobicContact CD2-CD1 4.03Å; L127-I143 HydrophobicContact CD2-CG1 3.93Å; L127-I143 HydrophobicContact CD2-CG2 4.02Å; L127-I143 HydrophobicContact CG-CD1 3.96Å; L127-I143 HydrophobicContact CG-CG1 4.42Å; L127-I143 HydrophobicContact CG-CG2 4.49Å; L127-F147 HydrophobicContact CD2-CE2 3.92Å
128	H	98.4	Very high	97.2	Very high	38 Å²	38	51.4 Å²	51.4	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-45.6	173.4	-88.8	-87.6	0	0	0	111.7	R124 D125 N132 H140 I143 N144	R124-H128 PolarHBondContact O-CD2 3.48Å; R124-H128 VanDerWaalsContact O-CD2 3.23Å; R124-H128 PolarHBondContact O-N 3.31Å; D125-H128 PolarHBondContact O-N 3.48Å; H128-N132 WeakPolarHBondContact O-CB 3.41Å; H128-N132 PolarHBondContact O-N 2.92Å; H128-N132 VanDerWaalsContact O-N 3.17Å; H128-H140 AromaticContact CE1-CG 3.91Å; H128-H140 AromaticContact CE1-ND1 3.38Å; H128-H140 PolarHBondContact CE1-ND1 3.45Å; H128-H140 AromaticContact CG-ND1 3.78Å; H128-H140 AromaticContact ND1-CE1 3.73Å; H128-H140 AromaticContact ND1-CG 3.71Å; H128-H140 AromaticContact ND1-ND1 2.83Å; H128-H140 PolarHBondContact ND1-ND1 3.22Å; H128-I143 WeakPolarHBondContact NE2-CG2 3.16Å; H128-N144 PolarHBondContact NE2-OD1 3.39Å; H128-N144 VanDerWaalsContact NE2-OD1 3.07Å
129	Q	97.7	Very high	97.1	Very high	107 Å²	107	48.7 Å²	48.7	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-46.6	179.4	-70.2	169	61	0	0	111.4	L86 D125 L126 L127 V131	L86-Q129 HydrophobicContact CD1-CB 3.93Å; L86-Q129 HydrophobicContact CD2-CB 4.33Å; D125-Q129 WeakPolarHBondContact O-CG 3.36Å; D125-Q129 PolarHBondContact O-N 3.03Å; D125-Q129 VanDerWaalsContact O-N 3.1Å; D125-Q129 PolarHBondContact O-NE2 3Å; L126-Q129 PolarHBondContact O-N 3.06Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.49Å; Q129-V131 VanDerWaalsContact C-N 3.28Å; Q129-V131 PolarHBondContact O-N 3.04Å
130	A	94.9	Very high	97.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-29.8	-176.9	0	0	0	0	0	113.7	F79 L86 M87 L126 L127	F79-A130 WeakPolarHBondContact CE1-O 3.33Å; L86-A130 HydrophobicContact CB-CB 3.93Å; M87-A130 HydrophobicContact CG-CB 4.07Å; M87-A130 HydrophobicContact SD-CB 3.57Å; M87-A130 VanDerWaalsContact SD-CB 3.57Å; L126-A130 PolarHBondContact O-N 3.15Å; L127-A130 PolarHBondContact O-N 3.48Å
131	V	95.9	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-107.9	2.6	-173.5	-53.6	0	0	0	0	114.6	L70 L127 Q129 T133 H134 L135 I143	L70-V131 HydrophobicContact CD2-CG1 3.49Å; L70-V131 VanDerWaalsContact CD2-CG1 3.49Å; L127-V131 HydrophobicContact CD1-CG1 3.85Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.43Å; Q129-V131 VanDerWaalsContact C-N 3.28Å; Q129-V131 PolarHBondContact O-N 3.04Å; V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 PolarHBondContact O-N 3.35Å; V131-H134 PolarHBondContact O-N 3.32Å; V131-L135 HydrophobicContact CB-CB 4.24Å; V131-L135 HydrophobicContact CB-CD1 3.64Å; V131-L135 HydrophobicContact CB-CG 3.81Å; V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 HydrophobicContact CG1-CG 4.48Å; V131-L135 HydrophobicContact CG2-CB 4.23Å; V131-L135 HydrophobicContact CG2-CD1 3.78Å; V131-L135 HydrophobicContact CG2-CG 4.21Å; V131-L135 PolarHBondContact O-N 3.21Å; V131-I143 HydrophobicContact CG2-CD1 3.88Å
132	N	95.3	Very high	97.2	Very high	110 Å²	110	52 Å²	52	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.3	-169.6	-172.6	52.9	0	0	0	113.9	H128	H128-N132 WeakPolarHBondContact O-CB 3.41Å; H128-N132 PolarHBondContact O-N 2.92Å; H128-N132 VanDerWaalsContact O-N 3.17Å
133	T	94	Very high	97.2	Very high	97 Å²	97	48.5 Å²	48.5	60%	0.595	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14	-178	51.5	0	0	0	0	113	E83 V131	E83-T133 PolarHBondContact OE1-OG1 3.47Å; V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 PolarHBondContact O-N 3.35Å
134	H	92.6	Very high	97.2	Very high	57 Å²	57	51.3 Å²	51.3	26%	0.264	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-31	-169.7	-65.9	-65.9	0	0	0	113.6	L73 Q78 F79 E83 V131	L73-H134 HydrophobicContact CD1-CB 3.77Å; L73-H134 HydrophobicContact CD2-CB 3.83Å; L73-H134 HydrophobicContact CG-CB 4.48Å; Q78-H134 PolarHBondContact O-CE1 3.34Å; F79-H134 AromaticContact CD1-CD2 3.9Å; F79-H134 AromaticContact CD1-NE2 3.9Å; F79-H134 AromaticContact CE1-CD2 3.94Å; E83-H134 IonicContact OE1-CD2 3.55Å; E83-H134 IonicContact OE1-NE2 3.18Å; E83-H134 PolarHBondContact OE1-NE2 2.85Å; E83-H134 IonicContact OE2-CD2 3.6Å; E83-H134 IonicContact OE2-CE1 2.65Å; E83-H134 IonicContact OE2-NE2 2.73Å; E83-H134 PolarHBondContact OE2-NE2 3.19Å; V131-H134 PolarHBondContact O-N 3.32Å
135	L	94.5	Very high	97.2	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.11	28%	0.277	C	S	.	.	S	Bend	trans	-113.6	147.5	-168.8	-64.9	-168.1	0	0	0	112.4	K69 L73 V131	K69-L135 HydrophobicContact CB-CD1 4.43Å; K69-L135 HydrophobicContact CB-CD2 4.24Å; K69-L135 HydrophobicContact CD-CD1 4.38Å; K69-L135 HydrophobicContact CD-CD2 3.92Å; K69-L135 HydrophobicContact CG-CD2 4.44Å; L73-L135 HydrophobicContact CD1-CD2 4.04Å; L73-L135 HydrophobicContact CD1-CG 4.21Å; V131-L135 HydrophobicContact CB-CB 4.24Å; V131-L135 HydrophobicContact CB-CD1 3.64Å; V131-L135 HydrophobicContact CB-CG 3.81Å; V131-L135 HydrophobicContact CG1-CD1 3.96Å; V131-L135 HydrophobicContact CG1-CG 4.48Å; V131-L135 HydrophobicContact CG2-CB 4.23Å; V131-L135 HydrophobicContact CG2-CD1 3.78Å; V131-L135 HydrophobicContact CG2-CG 4.21Å; V131-L135 PolarHBondContact O-N 3.21Å
136	T	97.3	Very high	97.2	Very high	85 Å²	85	47.9 Å²	47.9	52%	0.521	26%	0.262	S	S	.	.			trans	-75.3	163.1	-178.8	63.7	0	0	0	0	112.1	K138 S139 H140	T136-K138 PolarHBondContact O-N 3.43Å; T136-S139 WeakPolarHBondContact O-CA 3.48Å; T136-S139 VanDerWaalsContact O-CB 3.29Å; T136-S139 WeakPolarHBondContact O-CB 3.42Å; T136-S139 PolarHBondContact O-N 3.01Å; T136-H140 PolarHBondContact O-CD2 3.19Å; T136-H140 PolarHBondContact O-N 3.5Å
137	A	97.8	Very high	97.2	Very high	83 Å²	83	47.7 Å²	47.7	69%	0.686	26%	0.26	S	S	*	.	H	α-helix	trans	-50.7	-33.6	171.9	0	0	0	0	0	113.1	S139 H140 S141	A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.02Å; A137-H140 PolarHBondContact O-N 3.02Å; A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 3.41Å
138	K	98.1	Very high	97.3	Very high	139 Å²	139	51.6 Å²	51.6	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-62.2	-37.1	174	-172.7	174.3	-169.1	169.1	0	112.5	T136 R142	T136-K138 PolarHBondContact O-N 3.43Å; K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.39Å; K138-R142 PolarHBondContact O-N 3.38Å
139	S	97.9	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-42.7	174.7	-93.7	0	0	0	0	111.7	K69 T136 A137 S141 R142 I143	K69-S139 VanDerWaalsContact CD-OG 3.25Å; K69-S139 WeakPolarHBondContact CD-OG 3.5Å; K69-S139 WeakPolarHBondContact CE-OG 3.37Å; K69-S139 PolarHBondContact NZ-OG 3.46Å; T136-S139 WeakPolarHBondContact O-CA 3.48Å; T136-S139 VanDerWaalsContact O-CB 3.29Å; T136-S139 WeakPolarHBondContact O-CB 3.42Å; T136-S139 PolarHBondContact O-N 3.01Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.02Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S139-S141 PolarHBondContact O-N 3.48Å; S139-R142 WeakPolarHBondContact O-CA 3.37Å; S139-R142 WeakPolarHBondContact O-CB 3.28Å; S139-R142 PolarHBondContact O-N 3.35Å; S139-I143 WeakPolarHBondContact O-CG1 3.27Å; S139-I143 PolarHBondContact O-N 3.39Å
140	H	98.5	Very high	97.3	Very high	26 Å²	26	46.8 Å²	46.8	12%	0.12	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-41.1	173.9	-72.8	-69.8	0	0	0	112.6	H128 T136 A137 R142 I143 N144	H128-H140 AromaticContact CE1-CG 3.91Å; H128-H140 AromaticContact CE1-ND1 3.38Å; H128-H140 PolarHBondContact CE1-ND1 3.45Å; H128-H140 AromaticContact CG-ND1 3.78Å; H128-H140 AromaticContact ND1-CE1 3.73Å; H128-H140 AromaticContact ND1-CG 3.71Å; H128-H140 AromaticContact ND1-ND1 2.83Å; H128-H140 PolarHBondContact ND1-ND1 3.22Å; T136-H140 PolarHBondContact O-CD2 3.19Å; T136-H140 PolarHBondContact O-N 3.5Å; A137-H140 PolarHBondContact O-N 3.02Å; H140-R142 VanDerWaalsContact C-N 3.27Å; H140-R142 PolarHBondContact O-N 3.4Å; H140-I143 WeakPolarHBondContact O-CB 3.21Å; H140-I143 PolarHBondContact O-N 2.91Å; H140-I143 VanDerWaalsContact O-N 3.15Å; H140-N144 PolarHBondContact O-N 2.88Å
141	S	98.7	Very high	97.5	Very high	76 Å²	76	47.2 Å²	47.2	53%	0.531	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-36.2	172.4	174	0	0	0	0	112.4	A137 S139 H145	A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 3.41Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S139-S141 PolarHBondContact O-N 3.48Å; S141-H145 VanDerWaalsContact O-CB 3.28Å; S141-H145 WeakPolarHBondContact O-CB 3.5Å; S141-H145 PolarHBondContact O-N 2.95Å
142	R	98.7	Very high	97.7	Very high	34 Å²	34	49.9 Å²	49.9	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-40.5	174	-69.3	173.7	-177.7	155.9	1.1	112.3	N62 I66 K138 S139 H140 H145 V146	N62-R142 HydrophobicContact CB-CB 4.01Å; N62-R142 HydrophobicContact CB-CG 4.1Å; N62-R142 WeakPolarHBondContact OD1-CG 3.28Å; I66-R142 HydrophobicContact CD1-CB 4.06Å; I66-R142 HydrophobicContact CG1-CB 4.18Å; K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.39Å; K138-R142 PolarHBondContact O-N 3.38Å; S139-R142 WeakPolarHBondContact O-CA 3.37Å; S139-R142 WeakPolarHBondContact O-CB 3.28Å; S139-R142 PolarHBondContact O-N 3.35Å; H140-R142 VanDerWaalsContact C-N 3.27Å; H140-R142 PolarHBondContact O-N 3.4Å; R142-H145 WeakPolarHBondContact O-CB 3.3Å; R142-H145 PolarHBondContact O-N 2.95Å; R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 3.07Å
143	I	98.8	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-53.1	176.8	-66.6	164.5	0	0	0	108.8	I66 R124 L127 H128 V131 S139 H140 H145 V146 F147	I66-I143 HydrophobicContact CD1-CB 4.34Å; I66-I143 HydrophobicContact CD1-CG1 3.79Å; I66-I143 HydrophobicContact CG1-CG1 3.96Å; I66-I143 HydrophobicContact CG2-CG1 4.24Å; R124-I143 HydrophobicContact CG-CG2 3.8Å; L127-I143 HydrophobicContact CD2-CD1 4.03Å; L127-I143 HydrophobicContact CD2-CG1 3.93Å; L127-I143 HydrophobicContact CD2-CG2 4.02Å; L127-I143 HydrophobicContact CG-CD1 3.96Å; L127-I143 HydrophobicContact CG-CG1 4.42Å; L127-I143 HydrophobicContact CG-CG2 4.49Å; H128-I143 WeakPolarHBondContact NE2-CG2 3.16Å; V131-I143 HydrophobicContact CG2-CD1 3.88Å; S139-I143 WeakPolarHBondContact O-CG1 3.27Å; S139-I143 PolarHBondContact O-N 3.39Å; H140-I143 WeakPolarHBondContact O-CB 3.21Å; H140-I143 PolarHBondContact O-N 2.91Å; H140-I143 VanDerWaalsContact O-N 3.15Å; I143-H145 VanDerWaalsContact C-N 3.32Å; I143-H145 PolarHBondContact O-N 3.25Å; I143-V146 PolarHBondContact O-N 2.62Å; I143-V146 VanDerWaalsContact O-N 3.17Å; I143-F147 HydrophobicContact CG2-CD2 3.76Å; I143-F147 HydrophobicContact CG2-CE2 4.08Å; I143-F147 WeakPolarHBondContact O-CD2 3.44Å; I143-F147 PolarHBondContact O-N 3.41Å
144	N	98.8	Very high	98	Very high	58 Å²	58	49.6 Å²	49.6	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-54.9	-46.6	175	-73.3	-27.5	0	0	0	112.4	H128 H140 V146 F147 N148	H128-N144 PolarHBondContact NE2-OD1 3.39Å; H128-N144 VanDerWaalsContact NE2-OD1 3.07Å; H140-N144 PolarHBondContact O-N 2.88Å; N144-V146 VanDerWaalsContact C-N 3.28Å; N144-V146 PolarHBondContact O-N 3.09Å; N144-F147 PolarHBondContact O-N 3.29Å; N144-N148 WeakPolarHBondContact O-CB 3.1Å; N144-N148 PolarHBondContact O-N 3.23Å; N144-N148 PolarHBondContact O-ND2 3.2Å; N144-N148 PolarHBondContact O-OD1 3.16Å
145	H	98.8	Very high	98.3	Very high	41 Å²	41	47 Å²	47	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-37.3	-179.5	-168.9	-98.4	0	0	0	113.7	E55 K58 N62 S141 R142 I143	E55-H145 IonicContact OE1-CD2 3.69Å; E55-H145 IonicContact OE1-CE1 3.71Å; E55-H145 PolarHBondContact OE1-CE1 2.89Å; E55-H145 IonicContact OE1-NE2 3.69Å; E55-H145 PolarHBondContact OE1-NE2 2.99Å; E55-H145 IonicContact OE2-NE2 3.63Å; K58-H145 WeakPolarHBondContact CE-NE2 3.36Å; K58-H145 PolarHBondContact NZ-NE2 3.03Å; N62-H145 PolarHBondContact ND2-ND1 3.4Å; S141-H145 VanDerWaalsContact O-CB 3.28Å; S141-H145 WeakPolarHBondContact O-CB 3.5Å; S141-H145 PolarHBondContact O-N 2.95Å; R142-H145 WeakPolarHBondContact O-CB 3.3Å; R142-H145 PolarHBondContact O-N 2.95Å; I143-H145 VanDerWaalsContact C-N 3.32Å; I143-H145 PolarHBondContact O-N 3.25Å
146	V	98.8	Very high	98.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-75.8	-54.5	179.3	169.9	0	0	0	0	110.3	N62 L63 I66 R142 I143 N144 H149 F150	N62-V146 HydrophobicContact CB-CG2 3.73Å; L63-V146 HydrophobicContact CB-CG1 4.18Å; L63-V146 HydrophobicContact CB-CG2 4.06Å; L63-V146 HydrophobicContact CD1-CG1 4.17Å; I66-V146 HydrophobicContact CD1-CB 4.43Å; I66-V146 HydrophobicContact CD1-CG2 4.01Å; R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 3.07Å; I143-V146 PolarHBondContact O-N 2.62Å; I143-V146 VanDerWaalsContact O-N 3.17Å; N144-V146 VanDerWaalsContact C-N 3.28Å; N144-V146 PolarHBondContact O-N 3.09Å; V146-H149 PolarHBondContact O-N 3.41Å; V146-F150 HydrophobicContact CG1-CD2 3.8Å; V146-F150 HydrophobicContact CG1-CE2 3.91Å; V146-F150 VanDerWaalsContact O-CD2 3.27Å; V146-F150 WeakPolarHBondContact O-CD2 3.35Å; V146-F150 PolarHBondContact O-N 3.22Å; V146-F150 VanDerWaalsContact O-N 3.12Å
147	F	98.8	Very high	98.6	Very high	23 Å²	23	44.2 Å²	44.2	10%	0.101	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-36.1	-174.1	-79.1	-81.6	0	0	0	112.7	L120 C123 R124 L127 I143 N144 H149 F150 A151	L120-F147 HydrophobicContact CB-CD1 4.42Å; L120-F147 HydrophobicContact CD2-CD1 4.25Å; L120-F147 HydrophobicContact CD2-CE1 4.34Å; L120-F147 WeakPolarHBondContact O-CD1 3.22Å; L120-F147 WeakPolarHBondContact O-CE1 3.43Å; C123-F147 HydrophobicContact CB-CD1 4.42Å; C123-F147 HydrophobicContact CB-CE1 3.51Å; C123-F147 HydrophobicContact CB-CZ 3.95Å; R124-F147 HydrophobicContact CB-CB 3.69Å; R124-F147 HydrophobicContact CB-CD1 3.88Å; R124-F147 HydrophobicContact CB-CD2 3.84Å; R124-F147 HydrophobicContact CB-CE1 4.46Å; R124-F147 HydrophobicContact CB-CE2 4.43Å; R124-F147 HydrophobicContact CB-CG 3.52Å; R124-F147 HydrophobicContact CG-CB 3.6Å; R124-F147 HydrophobicContact CG-CD2 3.83Å; R124-F147 HydrophobicContact CG-CG 3.77Å; L127-F147 HydrophobicContact CD2-CE2 3.92Å; I143-F147 HydrophobicContact CG2-CD2 3.76Å; I143-F147 HydrophobicContact CG2-CE2 4.08Å; I143-F147 WeakPolarHBondContact O-CD2 3.44Å; I143-F147 PolarHBondContact O-N 3.41Å; N144-F147 PolarHBondContact O-N 3.29Å; F147-H149 VanDerWaalsContact C-N 3.25Å; F147-H149 PolarHBondContact O-N 3.12Å; F147-F150 PolarHBondContact O-N 2.7Å; F147-A151 WeakPolarHBondContact O-CB 3.35Å; F147-A151 PolarHBondContact O-N 3.32Å
148	N	98.8	Very high	98.6	Very high	85 Å²	85	41.6 Å²	41.6	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-31.7	176.9	-65.5	-3.1	0	0	0	112	R124 N144 D152	R124-N148 PolarHBondContact NH1-OD1 2.92Å; R124-N148 VanDerWaalsContact NH1-OD1 3.09Å; N144-N148 WeakPolarHBondContact O-CB 3.1Å; N144-N148 PolarHBondContact O-N 3.23Å; N144-N148 PolarHBondContact O-ND2 3.2Å; N144-N148 PolarHBondContact O-OD1 3.16Å; N148-D152 PolarHBondContact O-N 3.5Å
149	H	98.8	Very high	98.6	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-52.9	173.4	171.9	74.1	0	0	0	111.2	T46 I59 V146 F147 A151 D152 F155	T46-H149 WeakPolarHBondContact CG2-NE2 3.43Å; T46-H149 PolarHBondContact OG1-NE2 3.4Å; T46-H149 VanDerWaalsContact OG1-NE2 3.09Å; I59-H149 HydrophobicContact CD1-CB 3.93Å; V146-H149 PolarHBondContact O-N 3.41Å; F147-H149 VanDerWaalsContact C-N 3.25Å; F147-H149 PolarHBondContact O-N 3.12Å; H149-A151 VanDerWaalsContact C-N 3.27Å; H149-A151 PolarHBondContact O-N 3.22Å; H149-D152 VanDerWaalsContact O-CB 3.27Å; H149-D152 WeakPolarHBondContact O-CB 3.38Å; H149-D152 PolarHBondContact O-N 3.43Å; H149-D152 VanDerWaalsContact O-N 3.16Å; H149-F155 AromaticContact CE1-CD2 3.71Å; H149-F155 AromaticContact NE2-CD2 3.76Å; H149-F155 AromaticContact NE2-CE2 3.65Å; H149-F155 AromaticContact NE2-CZ 3.83Å
150	F	98.8	Very high	98.6	Very high	22 Å²	22	37.2 Å²	37.2	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-70.3	-25.2	-176.1	-70.2	-58.7	0	0	0	113.2	L42 I59 I60 L120 V146 F147 F155 L156	L42-F150 HydrophobicContact CB-CE1 4.38Å; L42-F150 HydrophobicContact CB-CZ 4.22Å; L42-F150 HydrophobicContact CD1-CZ 4.46Å; L42-F150 HydrophobicContact CD2-CD1 4.45Å; L42-F150 HydrophobicContact CD2-CE1 3.78Å; L42-F150 HydrophobicContact CD2-CZ 4.21Å; I59-F150 HydrophobicContact CG2-CE2 3.88Å; I59-F150 HydrophobicContact CG2-CZ 4.05Å; I60-F150 HydrophobicContact CD1-CZ 4.21Å; L120-F150 HydrophobicContact CD1-CB 4.29Å; L120-F150 WeakPolarHBondContact CD1-O 3.19Å; L120-F150 HydrophobicContact CD2-CB 4.3Å; V146-F150 HydrophobicContact CG1-CD2 3.8Å; V146-F150 HydrophobicContact CG1-CE2 3.91Å; V146-F150 VanDerWaalsContact O-CD2 3.27Å; V146-F150 WeakPolarHBondContact O-CD2 3.35Å; V146-F150 PolarHBondContact O-N 3.22Å; V146-F150 VanDerWaalsContact O-N 3.12Å; F147-F150 PolarHBondContact O-N 2.7Å; F150-F155 HydrophobicContact CD1-CD1 4.45Å; F150-F155 AromaticContact CD1-CE1 3.67Å; F150-F155 HydrophobicContact CD1-CE1 3.67Å; F150-F155 HydrophobicContact CD1-CZ 4.12Å; F150-F155 HydrophobicContact CE1-CE1 4.25Å; F150-F155 HydrophobicContact CE1-CZ 4.23Å; F150-L156 VanDerWaalsContact O-CD2 3.29Å; F150-L156 WeakPolarHBondContact O-CD2 3.44Å; F150-L156 WeakPolarHBondContact O-CG 3.39Å
151	A	98.7	Very high	98.5	Very high	10 Å²	10	36.9 Å²	36.9	8%	0.083	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.4	175.7	0	0	0	0	0	113.3	S117 L120 F147 H149 Y153	S117-A151 WeakPolarHBondContact CB-O 3.08Å; S117-A151 PolarHBondContact OG-O 3.11Å; L120-A151 HydrophobicContact CB-CB 3.86Å; L120-A151 HydrophobicContact CD1-CB 4.25Å; F147-A151 WeakPolarHBondContact O-CB 3.35Å; F147-A151 PolarHBondContact O-N 3.32Å; H149-A151 VanDerWaalsContact C-N 3.27Å; H149-A151 PolarHBondContact O-N 3.22Å; A151-Y153 PolarHBondContact O-N 2.91Å
152	D	98.7	Very high	98.2	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	21%	0.21	S	C	.	.			trans	-64	128.4	177	175.8	-119.7	0	0	0	110.6	Y49 N148 H149 E154 F155 L156	Y49-D152 PolarHBondContact OH-OD1 2.72Å; N148-D152 PolarHBondContact O-N 3.5Å; H149-D152 VanDerWaalsContact O-CB 3.27Å; H149-D152 WeakPolarHBondContact O-CB 3.38Å; H149-D152 PolarHBondContact O-N 3.43Å; H149-D152 VanDerWaalsContact O-N 3.16Å; D152-E154 VanDerWaalsContact C-N 3.27Å; D152-E154 PolarHBondContact O-N 2.95Å; D152-E154 PolarHBondContact OD1-N 3.37Å; D152-F155 HydrophobicContact CB-CB 3.96Å; D152-F155 PolarHBondContact O-N 2.99Å; D152-F155 PolarHBondContact OD1-N 2.92Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 VanDerWaalsContact O-CG 3.26Å; D152-L156 WeakPolarHBondContact O-CG 3.14Å; D152-L156 PolarHBondContact O-N 3.31Å
153	Y	98.6	Very high	98	Very high	94 Å²	94	40.3 Å²	40.3	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-35	-173.2	-80	20.8	0	0	0	111.9	R113 R114 S117 A151 S157	R113-Y153 HydrophobicContact CG-CD2 4.33Å; R113-Y153 HydrophobicContact CG-CG 4.34Å; R114-Y153 HydrophobicContact CG-CE2 4.04Å; S117-Y153 VanDerWaalsContact OG-CE1 3.25Å; S117-Y153 WeakPolarHBondContact OG-CE1 3.32Å; A151-Y153 PolarHBondContact O-N 2.91Å; Y153-S157 WeakPolarHBondContact O-CB 3.44Å; Y153-S157 PolarHBondContact O-N 3.05Å; Y153-S157 PolarHBondContact O-OG 3.25Å; Y153-S157 VanDerWaalsContact O-OG 3.1Å
154	E	98.4	Very high	97.9	Very high	107 Å²	107	44.8 Å²	44.8	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-77.1	-37.8	-178.4	-62	-53.5	128.8	0	0	110.9	Y49 R113 D152 S157 A158	Y49-E154 HydrophobicContact CE2-CB 4.46Å; Y49-E154 WeakPolarHBondContact OH-CB 3.39Å; R113-E154 IonicContact CZ-OE1 3.76Å; R113-E154 IonicContact NH1-OE1 2.82Å; R113-E154 PolarHBondContact NH1-OE1 3.33Å; D152-E154 VanDerWaalsContact C-N 3.27Å; D152-E154 PolarHBondContact O-N 2.95Å; D152-E154 PolarHBondContact OD1-N 3.37Å; E154-S157 PolarHBondContact O-N 2.96Å; E154-A158 WeakPolarHBondContact O-CB 3.49Å; E154-A158 PolarHBondContact O-N 3.43Å
155	F	98.7	Very high	97.8	Very high	2 Å²	2	44 Å²	44	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-48.3	169.2	174.3	-104.4	0	0	0	111.5	A45 Y49 H149 F150 D152 S157 A158 L159	A45-F155 HydrophobicContact CB-CE2 4.42Å; A45-F155 HydrophobicContact CB-CZ 4.45Å; Y49-F155 HydrophobicContact CD1-CB 3.99Å; Y49-F155 AromaticContact CD1-CD2 3.67Å; Y49-F155 HydrophobicContact CD1-CD2 3.67Å; Y49-F155 HydrophobicContact CD1-CG 4.28Å; Y49-F155 HydrophobicContact CD2-CB 4.48Å; Y49-F155 HydrophobicContact CD2-CD2 4.2Å; Y49-F155 HydrophobicContact CE1-CB 3.68Å; Y49-F155 HydrophobicContact CE1-CD2 4.27Å; Y49-F155 HydrophobicContact CE1-CG 4.44Å; Y49-F155 HydrophobicContact CE2-CB 4.25Å; Y49-F155 HydrophobicContact CG-CB 4.37Å; Y49-F155 AromaticContact CG-CD2 3.62Å; Y49-F155 HydrophobicContact CG-CD2 3.62Å; Y49-F155 HydrophobicContact CG-CE2 4.48Å; Y49-F155 HydrophobicContact CG-CG 4.49Å; Y49-F155 VanDerWaalsContact CZ-N 3.33Å; Y49-F155 PolarHBondContact OH-N 3.22Å; Y49-F155 VanDerWaalsContact OH-N 3.16Å; H149-F155 AromaticContact CE1-CD2 3.71Å; H149-F155 AromaticContact NE2-CD2 3.76Å; H149-F155 AromaticContact NE2-CE2 3.65Å; H149-F155 AromaticContact NE2-CZ 3.83Å; F150-F155 HydrophobicContact CD1-CD1 4.45Å; F150-F155 AromaticContact CD1-CE1 3.67Å; F150-F155 HydrophobicContact CD1-CE1 3.67Å; F150-F155 HydrophobicContact CD1-CZ 4.12Å; F150-F155 HydrophobicContact CE1-CE1 4.25Å; F150-F155 HydrophobicContact CE1-CZ 4.23Å; D152-F155 HydrophobicContact CB-CB 3.96Å; D152-F155 PolarHBondContact O-N 2.99Å; D152-F155 PolarHBondContact OD1-N 2.92Å; F155-S157 PolarHBondContact O-N 3.39Å; F155-A158 PolarHBondContact O-N 2.96Å; F155-L159 HydrophobicContact CE1-CD2 3.92Å; F155-L159 HydrophobicContact CZ-CB 4.46Å; F155-L159 HydrophobicContact CZ-CD2 4.03Å; F155-L159 WeakPolarHBondContact O-CB 3.47Å; F155-L159 PolarHBondContact O-N 3.25Å
156	L	98.7	Very high	97.7	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-43.2	179.3	-72.5	174.1	0	0	0	111.5	F111 R113 M116 L120 F150 D152 A158 L159 Y160	F111-L156 HydrophobicContact CZ-CB 4Å; F111-L156 WeakPolarHBondContact CZ-O 3.45Å; R113-L156 HydrophobicContact CB-CB 4.26Å; M116-L156 HydrophobicContact CB-CD1 4.07Å; M116-L156 HydrophobicContact CB-CD2 4.47Å; M116-L156 HydrophobicContact CG-CD1 3.87Å; M116-L156 HydrophobicContact CG-CD2 3.54Å; M116-L156 HydrophobicContact CG-CG 4.34Å; L120-L156 HydrophobicContact CD1-CD2 4.41Å; F150-L156 VanDerWaalsContact O-CD2 3.29Å; F150-L156 WeakPolarHBondContact O-CD2 3.44Å; F150-L156 WeakPolarHBondContact O-CG 3.39Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 VanDerWaalsContact O-CG 3.26Å; D152-L156 WeakPolarHBondContact O-CG 3.14Å; D152-L156 PolarHBondContact O-N 3.31Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.46Å; L156-Y160 WeakPolarHBondContact O-CD2 3.39Å; L156-Y160 PolarHBondContact O-N 3.48Å
157	S	98.2	Very high	97.6	Very high	42 Å²	42	50.4 Å²	50.4	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-38.2	174.4	-75.8	0	0	0	0	113	R113 Y153 E154 F155 G161	R113-S157 VanDerWaalsContact CD-OG 3.24Å; R113-S157 WeakPolarHBondContact CD-OG 3.38Å; Y153-S157 WeakPolarHBondContact O-CB 3.44Å; Y153-S157 PolarHBondContact O-N 3.05Å; Y153-S157 PolarHBondContact O-OG 3.25Å; Y153-S157 VanDerWaalsContact O-OG 3.1Å; E154-S157 PolarHBondContact O-N 2.96Å; F155-S157 PolarHBondContact O-N 3.39Å; S157-G161 PolarHBondContact O-N 3.24Å; S157-G161 VanDerWaalsContact O-N 3.15Å
158	A	98.2	Very high	97.6	Very high	27 Å²	27	51.5 Å²	51.5	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-45	174.7	0	0	0	0	0	111.8	Y49 E154 F155 L156 G161 Y166	Y49-A158 HydrophobicContact CD2-CB 4.04Å; Y49-A158 HydrophobicContact CE2-CB 4.3Å; E154-A158 WeakPolarHBondContact O-CB 3.49Å; E154-A158 PolarHBondContact O-N 3.43Å; F155-A158 PolarHBondContact O-N 2.96Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.84Å; A158-G161 PolarHBondContact O-N 3.49Å; A158-Y166 HydrophobicContact CB-CD2 4.45Å; A158-Y166 HydrophobicContact CB-CE1 4.49Å; A158-Y166 HydrophobicContact CB-CE2 4.14Å; A158-Y166 WeakPolarHBondContact O-CB 3.28Å
159	L	98.5	Very high	97.6	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-42.8	-176.7	-179.3	62.2	0	0	0	112.8	A45 F155 L156 G161 Y166 L170 I173	A45-L159 HydrophobicContact CB-CD1 4.03Å; F155-L159 HydrophobicContact CE1-CD2 3.92Å; F155-L159 HydrophobicContact CZ-CB 4.46Å; F155-L159 HydrophobicContact CZ-CD2 4.03Å; F155-L159 WeakPolarHBondContact O-CB 3.47Å; F155-L159 PolarHBondContact O-N 3.25Å; L156-L159 PolarHBondContact O-N 3.46Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-Y166 HydrophobicContact CD1-CD1 4.41Å; L159-L170 HydrophobicContact CD1-CB 4.12Å; L159-L170 HydrophobicContact CD2-CD1 4.47Å; L159-L170 HydrophobicContact CG-CB 4.49Å; L159-L170 HydrophobicContact CG-CD1 4.21Å; L159-I173 HydrophobicContact CD1-CD1 4.44Å
160	Y	98.1	Very high	97.5	Very high	36 Å²	36	47.9 Å²	47.9	14%	0.141	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	3.8	176.9	-74.4	-97.3	0	0	0	113.4	A101 F104 F111 L156 L170	A101-Y160 WeakPolarHBondContact CA-OH 3.21Å; A101-Y160 WeakPolarHBondContact CB-OH 3.38Å; A101-Y160 PolarHBondContact O-OH 2.91Å; F104-Y160 HydrophobicContact CB-CD1 4.03Å; F104-Y160 HydrophobicContact CB-CE1 3.49Å; F104-Y160 VanDerWaalsContact CB-CE1 3.49Å; F111-Y160 HydrophobicContact CB-CD1 4.22Å; F111-Y160 HydrophobicContact CB-CG 4.49Å; F111-Y160 HydrophobicContact CD1-CG 4.21Å; F111-Y160 AromaticContact CD2-CD1 3.48Å; F111-Y160 HydrophobicContact CD2-CD1 3.48Å; F111-Y160 VanDerWaalsContact CD2-CD1 3.48Å; F111-Y160 AromaticContact CD2-CD2 3.68Å; F111-Y160 HydrophobicContact CD2-CD2 3.68Å; F111-Y160 AromaticContact CD2-CE1 3.99Å; F111-Y160 HydrophobicContact CD2-CE1 3.99Å; F111-Y160 HydrophobicContact CD2-CE2 4.16Å; F111-Y160 AromaticContact CD2-CG 3.31Å; F111-Y160 HydrophobicContact CD2-CG 3.31Å; F111-Y160 HydrophobicContact CE1-CG 4.28Å; F111-Y160 HydrophobicContact CE2-CD1 4.03Å; F111-Y160 AromaticContact CE2-CD2 3.29Å; F111-Y160 HydrophobicContact CE2-CD2 3.29Å; F111-Y160 HydrophobicContact CE2-CE1 4.47Å; F111-Y160 AromaticContact CE2-CE2 3.8Å; F111-Y160 HydrophobicContact CE2-CE2 3.8Å; F111-Y160 AromaticContact CE2-CG 3.42Å; F111-Y160 HydrophobicContact CE2-CG 3.42Å; F111-Y160 VanDerWaalsContact CE2-CG 3.42Å; F111-Y160 AromaticContact CG-CD1 3.9Å; F111-Y160 HydrophobicContact CG-CD1 3.9Å; F111-Y160 HydrophobicContact CG-CD2 4.46Å; F111-Y160 AromaticContact CG-CG 3.74Å; F111-Y160 HydrophobicContact CG-CG 3.74Å; F111-Y160 AromaticContact CZ-CD2 3.79Å; F111-Y160 HydrophobicContact CZ-CD2 3.79Å; F111-Y160 AromaticContact CZ-CG 3.92Å; F111-Y160 HydrophobicContact CZ-CG 3.92Å; L156-Y160 WeakPolarHBondContact O-CD2 3.39Å; L156-Y160 PolarHBondContact O-N 3.48Å; Y160-L170 HydrophobicContact CD1-CD1 4.44Å; Y160-L170 HydrophobicContact CD1-CD2 3.55Å; Y160-L170 HydrophobicContact CD2-CD2 4.48Å; Y160-L170 HydrophobicContact CE1-CD1 3.97Å; Y160-L170 HydrophobicContact CE1-CD2 3.84Å; Y160-L170 HydrophobicContact CE2-CD1 4.2Å; Y160-L170 HydrophobicContact CG-CD2 3.89Å
161	G	95.4	Very high	97.5	Very high	18 Å²	18	52 Å²	52	19%	0.186	28%	0.277	C	S	.	.	S	Bend	trans	-70.1	158.8	174.9	0	0	0	0	0	112.3	S157 A158 L159 A163	S157-G161 PolarHBondContact O-N 3.24Å; S157-G161 VanDerWaalsContact O-N 3.15Å; A158-G161 PolarHBondContact O-N 3.49Å; L159-G161 VanDerWaalsContact C-N 3.31Å; G161-A163 PolarHBondContact O-N 3.34Å
162	P	94.1	Very high	97.5	Very high	125 Å²	125	57.6 Å²	57.6	81%	0.812	30%	0.296	S	S	*	.	S	Bend	trans	-74.1	-7.5	179.3	31.5	-36.4	0	0	0	113.4
163	A	94.2	Very high	97.4	Very high	57 Å²	57	55.6 Å²	55.6	47%	0.471	29%	0.285	S	S	.	.			trans	-76.4	138.9	-173.3	0	0	0	0	0	112.4	G161 Y166 R167	G161-A163 PolarHBondContact O-N 3.34Å; A163-Y166 PolarHBondContact O-N 2.88Å; A163-Y166 VanDerWaalsContact O-N 3.17Å; A163-R167 PolarHBondContact O-N 2.95Å; A163-R167 VanDerWaalsContact O-N 3.15Å
164	E	95.8	Very high	97.4	Very high	94 Å²	94	51.4 Å²	51.4	44%	0.439	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	149.2	164.4	-65.9	-63.3	167.2	0	0	110.1	R167 S168	E164-R167 IonicContact OE1-CZ 3.06Å; E164-R167 IonicContact OE1-NE 3.9Å; E164-R167 PolarHBondContact OE1-NE 2.86Å; E164-R167 IonicContact OE1-NH2 3.49Å; E164-R167 PolarHBondContact OE1-NH2 3.36Å; E164-R167 VanDerWaalsContact OE1-NH2 3.15Å; E164-S168 PolarHBondContact OE1-OG 3.23Å; E164-S168 VanDerWaalsContact OE2-CB 3.32Å; E164-S168 WeakPolarHBondContact OE2-CB 3.35Å; E164-S168 PolarHBondContact OE2-N 3.36Å; E164-S168 PolarHBondContact OE2-OG 3.15Å
165	P	96.4	Very high	97.3	Very high	43 Å²	43	51.3 Å²	51.3	28%	0.279	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.3	-0	4.2	36.5	-36.9	0	0	0	114.4	E48 R167 S168 H169	E48-P165 HydrophobicContact CG-CG 3.83Å; P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.47Å; P165-S168 PolarHBondContact O-N 2.79Å; P165-H169 PolarHBondContact O-CD2 3.17Å; P165-H169 PolarHBondContact O-N 3.38Å; P165-H169 VanDerWaalsContact O-N 3.11Å
166	Y	97.8	Very high	97.2	Very high	30 Å²	30	51.6 Å²	51.6	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-39.4	-173.9	-67.6	-70.2	0	0	0	113.3	A45 E48 Y49 A158 L159 A163 S168 H169 L170	A45-Y166 HydrophobicContact CB-CD1 4.39Å; A45-Y166 HydrophobicContact CB-CE1 4.48Å; E48-Y166 HydrophobicContact CB-CE1 4.12Å; E48-Y166 HydrophobicContact CG-CE1 4.32Å; E48-Y166 HydrophobicContact CG-CE2 4.21Å; Y49-Y166 WeakPolarHBondContact CA-OH 3.49Å; Y49-Y166 WeakPolarHBondContact CB-OH 3.25Å; Y49-Y166 PolarHBondContact N-OH 3.47Å; A158-Y166 HydrophobicContact CB-CD2 4.45Å; A158-Y166 HydrophobicContact CB-CE1 4.49Å; A158-Y166 HydrophobicContact CB-CE2 4.14Å; A158-Y166 WeakPolarHBondContact O-CB 3.28Å; L159-Y166 HydrophobicContact CD1-CD1 4.41Å; A163-Y166 PolarHBondContact O-N 2.88Å; A163-Y166 VanDerWaalsContact O-N 3.17Å; Y166-S168 VanDerWaalsContact C-N 3.32Å; Y166-S168 PolarHBondContact O-N 3.19Å; Y166-H169 PolarHBondContact O-N 3.32Å; Y166-H169 VanDerWaalsContact O-N 3.17Å; Y166-L170 WeakPolarHBondContact O-CB 3.41Å; Y166-L170 PolarHBondContact O-N 3.17Å
167	R	97	Very high	97	Very high	147 Å²	147	52.1 Å²	52.1	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-57.4	-44.6	176.7	-165.6	-174	74.5	115.5	2	112.2	A163 E164 P165 K171	A163-R167 PolarHBondContact O-N 2.95Å; A163-R167 VanDerWaalsContact O-N 3.15Å; E164-R167 IonicContact OE1-CZ 3.06Å; E164-R167 IonicContact OE1-NE 3.9Å; E164-R167 PolarHBondContact OE1-NE 2.86Å; E164-R167 IonicContact OE1-NH2 3.49Å; E164-R167 PolarHBondContact OE1-NH2 3.36Å; E164-R167 VanDerWaalsContact OE1-NH2 3.15Å; P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.47Å; R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 PolarHBondContact O-N 3.12Å
168	S	97.8	Very high	96.9	Very high	47 Å²	47	52.5 Å²	52.5	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-41.2	175.8	-65.6	0	0	0	0	112.7	E164 P165 Y166 R172	E164-S168 PolarHBondContact OE1-OG 3.23Å; E164-S168 VanDerWaalsContact OE2-CB 3.32Å; E164-S168 WeakPolarHBondContact OE2-CB 3.35Å; E164-S168 PolarHBondContact OE2-N 3.36Å; E164-S168 PolarHBondContact OE2-OG 3.15Å; P165-S168 PolarHBondContact O-N 2.79Å; Y166-S168 VanDerWaalsContact C-N 3.32Å; Y166-S168 PolarHBondContact O-N 3.19Å; S168-R172 PolarHBondContact O-N 2.99Å
169	H	98.1	Very high	96.7	Very high	23 Å²	23	55.6 Å²	55.6	11%	0.106	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-49.3	176.5	-64.6	-43.4	0	0	0	111.7	E41 R44 A45 P165 Y166 K171 R172 I173	E41-H169 IonicContact OE2-CE1 3.89Å; E41-H169 IonicContact OE2-CG 2.89Å; E41-H169 IonicContact OE2-ND1 3.69Å; E41-H169 PolarHBondContact OE2-ND1 2.89Å; R44-H169 VanDerWaalsContact CB-CE1 3.47Å; R44-H169 WeakPolarHBondContact CB-CE1 3.46Å; A45-H169 HydrophobicContact CB-CB 4.23Å; P165-H169 PolarHBondContact O-CD2 3.17Å; P165-H169 PolarHBondContact O-N 3.38Å; P165-H169 VanDerWaalsContact O-N 3.11Å; Y166-H169 PolarHBondContact O-N 3.32Å; Y166-H169 VanDerWaalsContact O-N 3.17Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 3.11Å; H169-R172 PolarHBondContact O-N 3.05Å; H169-I173 VanDerWaalsContact O-CG1 3.28Å; H169-I173 WeakPolarHBondContact O-CG1 3.46Å; H169-I173 PolarHBondContact O-N 3.25Å
170	L	98.2	Very high	96.3	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-42.5	179.6	177.7	62.3	0	0	0	111.6	H105 L159 Y160 Y166 R172 I173 C174	H105-L170 HydrophobicContact CB-CD2 4.31Å; H105-L170 HydrophobicContact CB-CG 4.36Å; L159-L170 HydrophobicContact CD1-CB 4.12Å; L159-L170 HydrophobicContact CD2-CD1 4.47Å; L159-L170 HydrophobicContact CG-CB 4.49Å; L159-L170 HydrophobicContact CG-CD1 4.21Å; Y160-L170 HydrophobicContact CD1-CD1 4.44Å; Y160-L170 HydrophobicContact CD1-CD2 3.55Å; Y160-L170 HydrophobicContact CD2-CD2 4.48Å; Y160-L170 HydrophobicContact CE1-CD1 3.97Å; Y160-L170 HydrophobicContact CE1-CD2 3.84Å; Y160-L170 HydrophobicContact CE2-CD1 4.2Å; Y160-L170 HydrophobicContact CG-CD2 3.89Å; Y166-L170 WeakPolarHBondContact O-CB 3.41Å; Y166-L170 PolarHBondContact O-N 3.17Å; L170-R172 PolarHBondContact O-N 3.22Å; L170-I173 PolarHBondContact O-N 3.27Å; L170-C174 WeakPolarHBondContact O-CB 3.22Å; L170-C174 PolarHBondContact O-N 3.39Å; L170-C174 PolarHBondContact O-SG 2.81Å
171	K	98	Very high	95.9	Very high	108 Å²	108	55.7 Å²	55.7	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-52.4	176.2	177.5	176.5	171	177.2	0	111.4	R167 H169 I173 C174 E175	R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 PolarHBondContact O-N 3.12Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 3.11Å; K171-I173 PolarHBondContact O-N 2.97Å; K171-C174 PolarHBondContact O-N 3.2Å; K171-E175 WeakPolarHBondContact CE-OE1 3.3Å; K171-E175 HydrophobicContact CG-CG 4.48Å; K171-E175 IonicContact NZ-OE1 3.76Å; K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 2.65Å
172	R	98.2	Very high	95.6	Very high	128 Å²	128	61.7 Å²	61.7	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-38	-179.6	-68.7	176.6	-176.7	174	2.3	112.8	E41 S168 H169 L170 C174 E175 G176	E41-R172 HydrophobicContact CG-CB 3.78Å; E41-R172 WeakPolarHBondContact OE1-CD 3.45Å; E41-R172 IonicContact OE1-CZ 3.48Å; E41-R172 IonicContact OE1-NE 2.79Å; E41-R172 IonicContact OE1-NH1 3.15Å; E41-R172 PolarHBondContact OE1-NH1 3.2Å; S168-R172 PolarHBondContact O-N 2.99Å; H169-R172 PolarHBondContact O-N 3.05Å; L170-R172 PolarHBondContact O-N 3.22Å; R172-C174 VanDerWaalsContact C-N 3.34Å; R172-E175 PolarHBondContact O-N 3.27Å; R172-G176 PolarHBondContact O-N 3.06Å
173	I	97.9	Very high	95.3	Very high	15 Å²	15	60 Å²	60	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-49.2	172.6	-69.4	163.3	0	0	0	109.6	E41 L42 L159 H169 L170 K171 G176 V177	E41-I173 HydrophobicContact CB-CD1 4.13Å; E41-I173 HydrophobicContact CB-CG1 3.58Å; L42-I173 HydrophobicContact CD2-CD1 3.91Å; L42-I173 HydrophobicContact CG-CD1 4.33Å; L159-I173 HydrophobicContact CD1-CD1 4.44Å; H169-I173 VanDerWaalsContact O-CG1 3.28Å; H169-I173 WeakPolarHBondContact O-CG1 3.46Å; H169-I173 PolarHBondContact O-N 3.25Å; L170-I173 PolarHBondContact O-N 3.27Å; K171-I173 PolarHBondContact O-N 2.97Å; I173-G176 PolarHBondContact O-N 3.35Å; I173-V177 HydrophobicContact CG2-CG2 4.2Å; I173-V177 WeakPolarHBondContact O-CB 3.49Å; I173-V177 WeakPolarHBondContact O-CG2 3.19Å; I173-V177 PolarHBondContact O-N 3.19Å
174	C	97.8	Very high	94.6	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.034	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-36.7	-178.2	-65.9	0	0	0	0	112.6	V102 H105 L170 K171 R172 V177 N178	V102-C174 HydrophobicContact CG2-CB 4.33Å; H105-C174 HydrophobicContact CB-CB 4.28Å; H105-C174 WeakPolarHBondContact CB-SG 3.42Å; L170-C174 WeakPolarHBondContact O-CB 3.22Å; L170-C174 PolarHBondContact O-N 3.39Å; L170-C174 PolarHBondContact O-SG 2.81Å; K171-C174 PolarHBondContact O-N 3.2Å; R172-C174 VanDerWaalsContact C-N 3.34Å; C174-V177 PolarHBondContact O-N 3.41Å; C174-N178 WeakPolarHBondContact O-CB 3.4Å; C174-N178 PolarHBondContact O-N 2.67Å
175	E	97	Very high	93.6	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-48.2	173	-74.7	170.2	164.1	0	0	111.1	K171 R172 N178 K179	K171-E175 WeakPolarHBondContact CE-OE1 3.3Å; K171-E175 HydrophobicContact CG-CG 4.48Å; K171-E175 IonicContact NZ-OE1 3.76Å; K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 2.65Å; R172-E175 PolarHBondContact O-N 3.27Å; E175-N178 PolarHBondContact O-N 2.82Å; E175-K179 PolarHBondContact O-N 3.28Å
176	G	95.7	Very high	92.3	Very high	7 Å²	7	62.2 Å²	62.2	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-44.7	176.5	0	0	0	0	0	112.8	T34 I38 R172 I173 N178 K179 M180	T34-G176 WeakPolarHBondContact CG2-O 3.47Å; I38-G176 VanDerWaalsContact CD1-C 3.48Å; R172-G176 PolarHBondContact O-N 3.06Å; I173-G176 PolarHBondContact O-N 3.35Å; G176-N178 VanDerWaalsContact C-N 3.35Å; G176-N178 PolarHBondContact O-N 2.83Å; G176-K179 WeakPolarHBondContact O-CB 3.49Å; G176-K179 PolarHBondContact O-N 2.98Å; G176-M180 WeakPolarHBondContact O-CG 3.37Å; G176-M180 PolarHBondContact O-N 3.05Å
177	V	95.7	Very high	92	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-41.3	178.4	170	0	0	0	0	111.2	I38 A98 V102 I173 C174 K179 M180 L181 I186	I38-V177 HydrophobicContact CD1-CG2 4.14Å; A98-V177 HydrophobicContact CB-CG1 3.58Å; V102-V177 HydrophobicContact CG2-CB 4.2Å; V102-V177 HydrophobicContact CG2-CG1 3.8Å; I173-V177 HydrophobicContact CG2-CG2 4.2Å; I173-V177 WeakPolarHBondContact O-CB 3.49Å; I173-V177 WeakPolarHBondContact O-CG2 3.19Å; I173-V177 PolarHBondContact O-N 3.19Å; C174-V177 PolarHBondContact O-N 3.41Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.46Å; V177-M180 PolarHBondContact O-N 2.88Å; V177-L181 HydrophobicContact CG1-CD1 4.06Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 3.06Å; V177-I186 HydrophobicContact CG1-CD1 4.34Å
178	N	95	Very high	91.7	Very high	50 Å²	50	59.4 Å²	59.4	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.8	-168.3	66.2	0	0	0	111.4	V102 C174 E175 G176 L181 E182	V102-N178 HydrophobicContact CG2-CB 4.31Å; C174-N178 WeakPolarHBondContact O-CB 3.4Å; C174-N178 PolarHBondContact O-N 2.67Å; E175-N178 PolarHBondContact O-N 2.82Å; G176-N178 VanDerWaalsContact C-N 3.35Å; G176-N178 PolarHBondContact O-N 2.83Å; N178-L181 WeakPolarHBondContact O-CB 3.07Å; N178-L181 PolarHBondContact O-N 3.4Å; N178-E182 PolarHBondContact ND2-OE1 3.47Å; N178-E182 WeakPolarHBondContact O-CG 3.15Å; N178-E182 PolarHBondContact O-N 3.02Å
179	K	94.3	Very high	91.4	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.396	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-43.9	172.9	-176.6	178.9	173	-161.3	0	112.2	T34 E175 G176 V177 L181 E182 E183	T34-K179 HydrophobicContact CG2-CB 4.19Å; T34-K179 HydrophobicContact CG2-CD 3.91Å; T34-K179 HydrophobicContact CG2-CG 4.29Å; T34-K179 WeakPolarHBondContact OG1-CE 3.28Å; T34-K179 PolarHBondContact OG1-NZ 3.27Å; E175-K179 PolarHBondContact O-N 3.28Å; G176-K179 WeakPolarHBondContact O-CB 3.49Å; G176-K179 PolarHBondContact O-N 2.98Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.46Å; K179-L181 VanDerWaalsContact C-N 3.29Å; K179-L181 PolarHBondContact O-N 3.27Å; K179-E182 PolarHBondContact O-N 3.46Å; K179-E183 WeakPolarHBondContact CE-OE1 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 3.09Å; K179-E183 VanDerWaalsContact O-N 3.09Å
180	M	90.1	Very high	91	Very high	27 Å²	27	62.3 Å²	62.3	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-35.7	175.7	-69.6	-176.7	74.4	0	0	112.6	T34 I38 G176 V177 D184 N185 I186	T34-M180 HydrophobicContact CG2-CG 4Å; I38-M180 HydrophobicContact CD1-CG 4.16Å; I38-M180 HydrophobicContact CD1-SD 3.38Å; I38-M180 WeakPolarHBondContact CD1-SD 3.15Å; G176-M180 WeakPolarHBondContact O-CG 3.37Å; G176-M180 PolarHBondContact O-N 3.05Å; V177-M180 PolarHBondContact O-N 2.88Å; M180-D184 PolarHBondContact O-N 2.66Å; M180-N185 HydrophobicContact CB-CB 4.49Å; M180-N185 VanDerWaalsContact CE-O 3.28Å; M180-N185 WeakPolarHBondContact CE-O 3.38Å; M180-N185 PolarHBondContact O-N 3.36Å; M180-I186 HydrophobicContact CB-CD1 4.27Å; M180-I186 HydrophobicContact CE-CG1 4.45Å
181	L	89.9	Confident	90.6	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-43.2	175	-75.9	162.2	0	0	0	111.9	A98 M99 V102 V177 N178 K179 E183 D184 I186	A98-L181 HydrophobicContact CB-CD1 4.01Å; A98-L181 HydrophobicContact CB-CD2 4Å; A98-L181 HydrophobicContact CB-CG 4.15Å; M99-L181 HydrophobicContact CG-CD1 4.34Å; M99-L181 HydrophobicContact CG-CD2 4.11Å; M99-L181 HydrophobicContact SD-CD1 3.66Å; M99-L181 HydrophobicContact SD-CD2 3.94Å; M99-L181 HydrophobicContact SD-CG 4.37Å; V102-L181 HydrophobicContact CG2-CD1 4.36Å; V177-L181 HydrophobicContact CG1-CD1 4.06Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 3.06Å; N178-L181 WeakPolarHBondContact O-CB 3.07Å; N178-L181 PolarHBondContact O-N 3.4Å; K179-L181 VanDerWaalsContact C-N 3.29Å; K179-L181 PolarHBondContact O-N 3.27Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.29Å; L181-D184 PolarHBondContact O-N 2.88Å; L181-I186 HydrophobicContact CD2-CD1 4.45Å; L181-I186 HydrophobicContact CD2-CG2 3.86Å; L181-I186 HydrophobicContact CG-CD1 4.36Å
182	E	89.8	Confident	90.1	Very high	145 Å²	145	62.9 Å²	62.9	68%	0.678	30%	0.304	S	S	*	.	H	α-helix	trans	-64.8	-32.1	177.8	-72.9	171.2	-170.5	0	0	112.7	N178 K179	N178-E182 PolarHBondContact ND2-OE1 3.47Å; N178-E182 WeakPolarHBondContact O-CG 3.15Å; N178-E182 PolarHBondContact O-N 3.02Å; K179-E182 PolarHBondContact O-N 3.46Å
183	E	86.4	Confident	89.5	Confident	90 Å²	90	58.3 Å²	58.3	42%	0.421	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.2	179.9	-64.2	174.1	174.9	0	0	114.1	K179 L181 N185	K179-E183 WeakPolarHBondContact CE-OE1 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 3.09Å; K179-E183 VanDerWaalsContact O-N 3.09Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.29Å; E183-N185 HydrophobicContact CB-CB 4.28Å; E183-N185 VanDerWaalsContact CB-ND2 3.28Å; E183-N185 WeakPolarHBondContact CB-ND2 2.83Å; E183-N185 PolarHBondContact O-N 2.91Å; E183-N185 PolarHBondContact OE2-ND2 3.15Å
184	D	79.3	Confident	88.8	Confident	103 Å²	103	61.6 Å²	61.6	55%	0.551	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.8	-170.7	-165.3	32.5	0	0	0	113.4	R91 M180 L181 I186	R91-D184 IonicContact NH2-OD1 2.88Å; R91-D184 PolarHBondContact NH2-OD1 3.25Å; R91-D184 IonicContact NH2-OD2 3.95Å; R91-D184 PolarHBondContact NH2-OD2 2.98Å; M180-D184 PolarHBondContact O-N 2.66Å; L181-D184 PolarHBondContact O-N 2.88Å; D184-I186 VanDerWaalsContact C-N 3.33Å
185	N	75.7	Confident	88.1	Confident	93 Å²	93	66.3 Å²	66.3	50%	0.497	33%	0.33	S	S	.	.			trans	-93.9	18.4	-177.5	-78.9	-27.9	0	0	0	112.9	M180 E183	M180-N185 HydrophobicContact CB-CB 4.49Å; M180-N185 VanDerWaalsContact CE-O 3.28Å; M180-N185 WeakPolarHBondContact CE-O 3.38Å; M180-N185 PolarHBondContact O-N 3.36Å; E183-N185 HydrophobicContact CB-CB 4.28Å; E183-N185 VanDerWaalsContact CB-ND2 3.28Å; E183-N185 WeakPolarHBondContact CB-ND2 2.83Å; E183-N185 PolarHBondContact O-N 2.91Å; E183-N185 PolarHBondContact OE2-ND2 3.15Å
186	I	68.4	Low	87.3	Confident	43 Å²	43	62.7 Å²	62.7	22%	0.221	32%	0.315	C	S	.	.			trans	-119.8	0	-174.2	-135.2	163.9	0	0	0	114.9	R91 V94 H95 A98 V177 M180 L181 D184	R91-I186 PolarHBondContact NE-O 2.91Å; V94-I186 HydrophobicContact CG1-CG1 4.2Å; H95-I186 HydrophobicContact CB-CG2 4.05Å; A98-I186 HydrophobicContact CB-CD1 3.37Å; V177-I186 HydrophobicContact CG1-CD1 4.34Å; M180-I186 HydrophobicContact CB-CD1 4.27Å; M180-I186 HydrophobicContact CE-CG1 4.45Å; L181-I186 HydrophobicContact CD2-CD1 4.45Å; L181-I186 HydrophobicContact CD2-CG2 3.86Å; L181-I186 HydrophobicContact CG-CD1 4.36Å; D184-I186 VanDerWaalsContact C-N 3.33Å

Retrieved 186 of 186 residues in 216.5 ms (Link to these results)

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