A0A087WVD3_HUMAN Loading...

short-chain acyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A087WVD3, Species HUMAN (Homo sapiens, Human), Gene IVD, Length 211 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	35.6	Very low	34.2	Very low	239 Å²	239	162.8 Å²	162.8	100%	1.177	86%	0.856	S	S	*	*				0	99.2	0	-66.6	-177.6	-175.3	0	0	106.2
2	A	32	Very low	34.7	Very low	92 Å²	92	160.1 Å²	160.1	76%	0.76	85%	0.85	S	S	*	*				56.5	124.9	90.1	0	0	0	0	0	110.2
3	T	31.6	Very low	34.8	Very low	138 Å²	138	153.8 Å²	153.8	85%	0.847	84%	0.835	S	S	*	*			cis	-168.5	162.1	22.6	-29.8	0	0	0	0	109.2
4	A	35.9	Very low	34.8	Very low	87 Å²	87	149.6 Å²	149.6	72%	0.719	82%	0.823	S	S	*	*			trans	-29	160.1	170.2	0	0	0	0	0	119.6
5	T	34.3	Very low	34.6	Very low	127 Å²	127	155.2 Å²	155.2	78%	0.779	83%	0.827	S	S	*	*				-170	121.5	125.2	-72.4	0	0	0	0	113.6
6	R	34.7	Very low	34.7	Very low	223 Å²	223	159.9 Å²	159.9	84%	0.842	83%	0.829	S	S	*	*			trans	57.8	104	146.6	-70.2	171.2	173.3	-169.9	-4.2	123.2
7	L	37.4	Very low	35	Very low	164 Å²	164	160.2 Å²	160.2	86%	0.859	83%	0.832	S	S	*	*				10.9	115.3	114.6	-68.8	162.1	0	0	0	118.5
8	L	36.8	Very low	35	Very low	161 Å²	161	164.1 Å²	164.1	84%	0.843	83%	0.833	S	S	*	*			trans	-146.6	96.7	139.3	-104.9	118.6	0	0	0	109	W10	L8-W10 PolarHBondContact O-N 3.17Å
9	G	31.6	Very low	35.3	Very low	72 Å²	72	160.9 Å²	160.9	74%	0.742	83%	0.825	S	S	*	*			trans	-75.9	116.3	173.9	0	0	0	0	0	110.9	R11	G9-R11 PolarHBondContact O-N 2.9Å
10	W	32.8	Very low	35.5	Very low	239 Å²	239	159.1 Å²	159.1	91%	0.905	82%	0.824	S	S	*	*			trans	-73.3	105.6	166	-81.7	17.8	0	0	0	109.4	L8 V12	L8-W10 PolarHBondContact O-N 3.17Å; W10-V12 PolarHBondContact O-N 3.09Å
11	R	33.9	Very low	36	Very low	249 Å²	249	158.4 Å²	158.4	94%	0.94	82%	0.821	S	S	*	*			trans	-75.7	102.9	165.9	-77.5	-176.3	175.9	-122.8	1	108.5	G9 A13	G9-R11 PolarHBondContact O-N 2.9Å; R11-A13 PolarHBondContact O-N 2.7Å
12	V	39.8	Very low	36.2	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	80%	0.804	S	S	*	*			trans	-65.9	114.9	164.9	-178.1	0	0	0	0	107.6	W10 S14	W10-V12 PolarHBondContact O-N 3.09Å; V12-S14 PolarHBondContact O-N 3.44Å
13	A	35.7	Very low	36.5	Very low	79 Å²	79	150.5 Å²	150.5	65%	0.653	80%	0.801	S	S	*	*			trans	-65.5	101.3	171.9	0	0	0	0	0	108.6	R11 W15	R11-A13 PolarHBondContact O-N 2.7Å; A13-W15 PolarHBondContact O-N 3.44Å; A13-W15 VanDerWaalsContact O-N 3.11Å
14	S	35.4	Very low	36.7	Very low	95 Å²	95	153 Å²	153	66%	0.664	80%	0.8	S	S	*	*			trans	-71.7	101.9	168.5	46.9	0	0	0	0	108	V12 R16	V12-S14 PolarHBondContact O-N 3.44Å; S14-R16 PolarHBondContact O-N 3.32Å
15	W	31.3	Very low	37	Very low	233 Å²	233	153.7 Å²	153.7	88%	0.883	80%	0.795	S	S	*	*			trans	-63	91.7	165.1	-70	83.3	0	0	0	107.6	A13 L17	A13-W15 PolarHBondContact O-N 3.44Å; A13-W15 VanDerWaalsContact O-N 3.11Å; W15-L17 VanDerWaalsContact C-N 3.34Å; W15-L17 PolarHBondContact O-N 2.89Å
16	R	36.8	Very low	37.3	Very low	230 Å²	230	151.5 Å²	151.5	87%	0.868	79%	0.785	S	S	*	*			trans	-64	102.3	164.6	-74.4	-175.7	-169.4	-118.3	1.6	106.4	S14 R18	S14-R16 PolarHBondContact O-N 3.32Å; R16-R18 PolarHBondContact O-N 3.29Å
17	L	38.8	Very low	38.2	Very low	166 Å²	166	147 Å²	147	87%	0.869	77%	0.773	S	S	*	*			trans	-45.7	116.1	162.6	-74	159.4	0	0	0	107.1	W15	W15-L17 VanDerWaalsContact C-N 3.34Å; W15-L17 PolarHBondContact O-N 2.89Å
18	R	36	Very low	39	Very low	229 Å²	229	143 Å²	143	86%	0.864	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-51.3	136.3	169.1	-77	-179.3	172.6	-162.4	-2.3	107	R16	R16-R18 PolarHBondContact O-N 3.29Å
19	P	40.9	Very low	39.5	Very low	105 Å²	105	139 Å²	139	68%	0.682	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-55.4	146.4	170.9	26.2	-32.2	0	0	0	108.1	L21	P19-L21 PolarHBondContact O-N 3.45Å; P19-L21 VanDerWaalsContact O-N 3.1Å
20	P	39.5	Very low	40.5	Very low	124 Å²	124	142.2 Å²	142.2	81%	0.805	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.9	126.5	175.3	25.5	-31.2	0	0	0	106.5	A22	P20-A22 PolarHBondContact O-N 2.61Å
21	L	45.4	Very low	41.4	Very low	144 Å²	144	131.9 Å²	131.9	75%	0.754	70%	0.697	S	S	*	*			trans	-49.2	114.5	172.1	-70.9	167.2	0	0	0	106.5	P19 G23	P19-L21 PolarHBondContact O-N 3.45Å; P19-L21 VanDerWaalsContact O-N 3.1Å; L21-G23 PolarHBondContact O-N 2.91Å
22	A	40.7	Very low	42.5	Very low	98 Å²	98	126.1 Å²	126.1	81%	0.81	68%	0.684	S	S	*	*			trans	-47	128.3	171.1	0	0	0	0	0	107.3	P20 F24	P20-A22 PolarHBondContact O-N 2.61Å; A22-F24 PolarHBondContact O-N 3.16Å
23	G	36.6	Very low	43.8	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	67%	0.673	S	S	*	*			trans	-43	123.1	-157.9	0	0	0	0	0	114	L21 V25	L21-G23 PolarHBondContact O-N 2.91Å; G23-V25 PolarHBondContact O-N 3.33Å
24	F	36.4	Very low	45.4	Very low	190 Å²	190	126.9 Å²	126.9	83%	0.833	68%	0.679	S	S	*	*			trans	-59.9	94.1	146.5	-89.4	-90.5	0	0	0	106.2	A22 S26	A22-F24 PolarHBondContact O-N 3.16Å; F24-S26 PolarHBondContact O-N 2.97Å; F24-S26 VanDerWaalsContact O-N 3.09Å
25	V	41.8	Very low	47.2	Very low	102 Å²	102	124.7 Å²	124.7	62%	0.618	66%	0.661	S	S	*	*			trans	-57.2	114.9	154.6	177.8	0	0	0	0	104	G23 Q27	G23-V25 PolarHBondContact O-N 3.33Å; V25-Q27 PolarHBondContact O-N 2.98Å
26	S	40.5	Very low	49.3	Very low	80 Å²	80	118 Å²	118	56%	0.559	64%	0.643	S	S	*	*			trans	-65.3	83	172.1	-176.9	0	0	0	0	107.4	F24 R28 Q66	F24-S26 PolarHBondContact O-N 2.97Å; F24-S26 VanDerWaalsContact O-N 3.09Å; S26-R28 PolarHBondContact O-N 3.16Å; S26-Q66 PolarHBondContact O-OE1 3.06Å
27	Q	53.5	Low	51.1	Low	129 Å²	129	108.4 Å²	108.4	60%	0.603	61%	0.609	S	S	*	*			trans	-65.2	127	164.4	-91.7	-178.3	-23.7	0	0	106.5	V25 A29	V25-Q27 PolarHBondContact O-N 2.98Å; Q27-A29 PolarHBondContact O-N 3.12Å
28	R	55	Low	52.7	Low	80 Å²	80	104 Å²	104	30%	0.302	60%	0.597	S	S	.	*			trans	-52.8	118.3	179	-65.1	-167.9	-165	-154.7	14.7	109.2	S26 H30 S31 A65 D69	S26-R28 PolarHBondContact O-N 3.16Å; R28-H30 PolarHBondContact O-N 2.94Å; R28-H30 VanDerWaalsContact O-N 3.08Å; R28-S31 PolarHBondContact O-N 3Å; R28-S31 PolarHBondContact O-OG 3.26Å; R28-A65 PolarHBondContact NH2-O 3.49Å; R28-D69 IonicContact CZ-OD1 2.81Å; R28-D69 IonicContact CZ-OD2 2.63Å; R28-D69 IonicContact NH1-OD2 3.9Å; R28-D69 PolarHBondContact NH1-OD2 3.36Å; R28-D69 IonicContact NH2-OD1 3.56Å; R28-D69 PolarHBondContact NH2-OD1 3.32Å; R28-D69 IonicContact NH2-OD2 3.22Å; R28-D69 PolarHBondContact NH2-OD2 3.12Å
29	A	47.3	Very low	55	Low	78 Å²	78	99.7 Å²	99.7	65%	0.645	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-64.5	-15.6	-169.8	0	0	0	0	0	114.8	Q27	Q27-A29 PolarHBondContact O-N 3.12Å
30	H	51.7	Low	57.1	Low	139 Å²	139	98.7 Å²	98.7	64%	0.644	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-88.2	-8.6	-176.6	-65.4	-66.1	0	0	0	114.7	R28 L32	R28-H30 PolarHBondContact O-N 2.94Å; R28-H30 VanDerWaalsContact O-N 3.08Å; H30-L32 PolarHBondContact O-N 3.41Å; H30-L32 VanDerWaalsContact O-N 3.15Å
31	S	53.5	Low	59.5	Low	22 Å²	22	95.9 Å²	95.9	15%	0.154	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-66.8	-13.6	175.5	64.9	0	0	0	0	113.2	R28 R146	R28-S31 PolarHBondContact O-N 3Å; R28-S31 PolarHBondContact O-OG 3.26Å; S31-R146 VanDerWaalsContact O-CZ 3.29Å; S31-R146 PolarHBondContact O-NE 3.4Å; S31-R146 VanDerWaalsContact O-NE 3.11Å; S31-R146 PolarHBondContact O-NH2 2.73Å
32	L	55.9	Low	61.6	Low	128 Å²	128	89.6 Å²	89.6	67%	0.67	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-106.2	-2.8	-172.7	-64.2	170.8	0	0	0	114.8	H30 P34	H30-L32 PolarHBondContact O-N 3.41Å; H30-L32 VanDerWaalsContact O-N 3.15Å; L32-P34 WeakPolarHBondContact O-CD 3.35Å
33	L	66.8	Low	64.1	Low	104 Å²	104	87 Å²	87	55%	0.545	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-72.7	116.7	178.9	-73.6	172.9	0	0	0	110.4	V35 R146	L33-V35 PolarHBondContact O-N 2.91Å; L33-R146 PolarHBondContact O-NH1 3.36Å; L33-R146 PolarHBondContact O-NH2 2.91Å
34	P	68.9	Low	66.8	Low	120 Å²	120	89.6 Å²	89.6	78%	0.779	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-63.7	128.1	178.8	26.4	-32.3	0	0	0	109.5	L32	L32-P34 WeakPolarHBondContact O-CD 3.35Å
35	V	73.6	Confident	69.5	Low	50 Å²	50	86.8 Å²	86.8	30%	0.303	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-88.4	125.5	168.1	-180	0	0	0	0	106.2	L33 D37 R50	L33-V35 PolarHBondContact O-N 2.91Å; V35-D37 PolarHBondContact O-N 2.77Å; V35-R50 VanDerWaalsContact CG1-NH1 3.33Å
36	D	74.8	Confident	71.9	Confident	92 Å²	92	83 Å²	83	49%	0.492	47%	0.474	S	S	.	.			trans	-80.3	109.9	179.4	-170.5	-34.9	0	0	0	109.1	A38 I39 N40	D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 WeakPolarHBondContact OD1-CA 3.3Å; D36-A38 VanDerWaalsContact OD1-CB 3.25Å; D36-A38 WeakPolarHBondContact OD1-CB 3.48Å; D36-A38 PolarHBondContact OD1-N 3.36Å; D36-I39 HydrophobicContact CB-CG2 3.78Å; D36-I39 VanDerWaalsContact O-CG2 3.31Å; D36-I39 WeakPolarHBondContact O-CG2 3.49Å; D36-I39 PolarHBondContact OD1-N 2.91Å; D36-I39 VanDerWaalsContact OD1-N 3.1Å; D36-N40 PolarHBondContact O-ND2 3.47Å
37	D	76.4	Confident	74.4	Confident	29 Å²	29	82.7 Å²	82.7	16%	0.155	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.1	179	-67.5	-13.1	0	0	0	112.6	V35 R47 R50	V35-D37 PolarHBondContact O-N 2.77Å; D37-R47 HydrophobicContact CB-CG 3.96Å; D37-R50 VanDerWaalsContact OD1-CD 3.31Å; D37-R50 WeakPolarHBondContact OD1-CD 3.44Å; D37-R50 IonicContact OD1-CZ 3.61Å; D37-R50 IonicContact OD1-NE 3.88Å; D37-R50 IonicContact OD1-NH1 2.62Å; D37-R50 PolarHBondContact OD1-NH1 3.21Å
38	A	72.4	Confident	76.3	Confident	74 Å²	74	82.3 Å²	82.3	61%	0.612	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-37.9	-179.8	0	0	0	0	0	111.3	D36 N40	D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 WeakPolarHBondContact OD1-CA 3.3Å; D36-A38 VanDerWaalsContact OD1-CB 3.25Å; D36-A38 WeakPolarHBondContact OD1-CB 3.48Å; D36-A38 PolarHBondContact OD1-N 3.36Å; A38-N40 VanDerWaalsContact C-N 3.35Å
39	I	83.3	Confident	78.2	Confident	137 Å²	137	80.1 Å²	80.1	70%	0.703	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.3	175.2	-165.3	171.6	0	0	0	112.7	D36 G41	D36-I39 HydrophobicContact CB-CG2 3.78Å; D36-I39 VanDerWaalsContact O-CG2 3.31Å; D36-I39 WeakPolarHBondContact O-CG2 3.49Å; D36-I39 PolarHBondContact OD1-N 2.91Å; D36-I39 VanDerWaalsContact OD1-N 3.1Å; I39-G41 VanDerWaalsContact C-N 3.25Å; I39-G41 PolarHBondContact O-N 3.44Å
40	N	84.6	Confident	80.3	Confident	85 Å²	85	77.1 Å²	77.1	46%	0.455	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.8	-177.3	-71.1	-39.2	0	0	0	113.6	D36 A38 L42	D36-N40 PolarHBondContact O-ND2 3.47Å; A38-N40 VanDerWaalsContact C-N 3.35Å; N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 HydrophobicContact CB-CD1 4.38Å; N40-L42 HydrophobicContact CB-CD2 4.45Å; N40-L42 HydrophobicContact CB-CG 3.91Å; N40-L42 PolarHBondContact O-N 2.77Å
41	G	89.8	Confident	82.2	Confident	64 Å²	64	76 Å²	76	66%	0.66	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	25.7	179.2	0	0	0	0	0	114.2	I39	I39-G41 VanDerWaalsContact C-N 3.25Å; I39-G41 PolarHBondContact O-N 3.44Å
42	L	91.3	Very high	84.1	Confident	12 Å²	12	78.3 Å²	78.3	6%	0.063	43%	0.433	C	S	.	.			trans	-70.4	143.3	-178.1	-61.9	-178.7	0	0	0	111.8	N40 Q46 R47 L135 L139	N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 HydrophobicContact CB-CD1 4.38Å; N40-L42 HydrophobicContact CB-CD2 4.45Å; N40-L42 HydrophobicContact CB-CG 3.91Å; N40-L42 PolarHBondContact O-N 2.77Å; L42-Q46 HydrophobicContact CB-CB 4.03Å; L42-Q46 HydrophobicContact CD2-CB 4.42Å; L42-R47 HydrophobicContact CB-CG 4.05Å; L42-R47 PolarHBondContact O-NE 2.92Å; L42-R47 PolarHBondContact O-NH2 3.31Å; L42-L135 HydrophobicContact CD2-CD2 4.41Å; L42-L139 HydrophobicContact CD1-CD1 4.3Å; L42-L139 HydrophobicContact CD1-CD2 3.74Å; L42-L139 HydrophobicContact CD2-CD1 4.33Å; L42-L139 HydrophobicContact CD2-CD2 4.19Å
43	S	92.8	Very high	85.9	Confident	45 Å²	45	72.4 Å²	72.4	32%	0.315	40%	0.402	S	S	.	.			trans	-66.3	166.7	170.5	87.9	0	0	0	0	111.5	E45 Q46 R47	S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 VanDerWaalsContact CB-OE2 3.3Å; S43-E45 WeakPolarHBondContact CB-OE2 3.35Å; S43-E45 PolarHBondContact O-N 3.36Å; S43-E45 PolarHBondContact OG-N 3.35Å; S43-E45 PolarHBondContact OG-OE2 3.1Å; S43-Q46 PolarHBondContact O-N 2.83Å; S43-Q46 WeakPolarHBondContact OG-CG 3.25Å; S43-Q46 PolarHBondContact OG-N 3.44Å; S43-R47 VanDerWaalsContact O-CG 3.29Å; S43-R47 WeakPolarHBondContact O-CG 3.39Å; S43-R47 PolarHBondContact O-N 3.23Å
44	E	92	Very high	87	Confident	121 Å²	121	69.2 Å²	69.2	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-65.1	-37.6	179.7	-168.7	57.4	-152.8	0	0	111.8	Q46 R47 Q48	E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 3.03Å; E44-R47 PolarHBondContact O-N 3.29Å; E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.89Å
45	E	92.9	Very high	88.1	Confident	132 Å²	132	70 Å²	70	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-40.1	176.6	-56	78	-169.9	0	0	111.4	S43 Q48 L49	S43-E45 VanDerWaalsContact C-N 3.31Å; S43-E45 VanDerWaalsContact CB-OE2 3.3Å; S43-E45 WeakPolarHBondContact CB-OE2 3.35Å; S43-E45 PolarHBondContact O-N 3.36Å; S43-E45 PolarHBondContact OG-N 3.35Å; S43-E45 PolarHBondContact OG-OE2 3.1Å; E45-Q48 PolarHBondContact O-N 3.01Å; E45-L49 WeakPolarHBondContact O-CB 3.2Å; E45-L49 PolarHBondContact O-N 3.36Å
46	Q	94	Very high	88.9	Confident	23 Å²	23	69 Å²	69	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-66.1	-39.9	176.8	-72.6	170.3	-14.8	0	0	111.8	L42 S43 E44 L49 R50 L135 E136 L139	L42-Q46 HydrophobicContact CB-CB 4.03Å; L42-Q46 HydrophobicContact CD2-CB 4.42Å; S43-Q46 PolarHBondContact O-N 2.83Å; S43-Q46 WeakPolarHBondContact OG-CG 3.25Å; S43-Q46 PolarHBondContact OG-N 3.44Å; E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 3.03Å; Q46-L49 PolarHBondContact O-N 3.27Å; Q46-R50 PolarHBondContact O-N 3.15Å; Q46-L135 VanDerWaalsContact NE2-CD2 3.34Å; Q46-E136 HydrophobicContact CG-CG 4.32Å; Q46-E136 PolarHBondContact NE2-OE1 2.66Å; Q46-L139 HydrophobicContact CB-CD1 3.75Å; Q46-L139 HydrophobicContact CG-CD1 4.1Å
47	R	92.4	Very high	89.7	Confident	72 Å²	72	64.7 Å²	64.7	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-43.6	173.8	-67.9	170	-171.2	-162.7	-4.8	111.3	D37 L42 S43 E44 L49 R50 Q51	D37-R47 HydrophobicContact CB-CG 3.96Å; L42-R47 HydrophobicContact CB-CG 4.05Å; L42-R47 PolarHBondContact O-NE 2.92Å; L42-R47 PolarHBondContact O-NH2 3.31Å; S43-R47 VanDerWaalsContact O-CG 3.29Å; S43-R47 WeakPolarHBondContact O-CG 3.39Å; S43-R47 PolarHBondContact O-N 3.23Å; E44-R47 PolarHBondContact O-N 3.29Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 2.95Å; R47-R50 PolarHBondContact O-N 3.36Å; R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 VanDerWaalsContact O-CG 3.3Å; R47-Q51 WeakPolarHBondContact O-CG 3.4Å; R47-Q51 PolarHBondContact O-N 3.34Å
48	Q	93.2	Very high	90.2	Very high	121 Å²	121	67.4 Å²	67.4	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-63.2	-40.4	177.4	-170	177.7	12.2	0	0	111.9	E44 E45 Q51 T52	E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.89Å; E45-Q48 PolarHBondContact O-N 3.01Å; Q48-Q51 PolarHBondContact O-N 2.87Å; Q48-T52 WeakPolarHBondContact O-CB 3.49Å; Q48-T52 PolarHBondContact O-N 3.24Å; Q48-T52 PolarHBondContact O-OG1 2.87Å
49	L	93.9	Very high	90.9	Very high	35 Å²	35	69.2 Å²	69.2	18%	0.183	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-49.4	173.6	176.7	63.4	0	0	0	111.1	E45 Q46 R47 Q51 T52 M53 I121 E136 V140	E45-L49 WeakPolarHBondContact O-CB 3.2Å; E45-L49 PolarHBondContact O-N 3.36Å; Q46-L49 PolarHBondContact O-N 3.27Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 2.95Å; L49-Q51 PolarHBondContact O-N 2.99Å; L49-T52 PolarHBondContact O-N 2.89Å; L49-M53 HydrophobicContact CD1-CG 4.42Å; L49-M53 WeakPolarHBondContact O-CG 3.29Å; L49-M53 PolarHBondContact O-N 3.48Å; L49-I121 HydrophobicContact CD2-CD1 4.18Å; L49-E136 HydrophobicContact CD2-CB 3.78Å; L49-E136 HydrophobicContact CD2-CG 4.15Å; L49-V140 HydrophobicContact CD1-CG2 4.12Å; L49-V140 HydrophobicContact CD2-CG2 4.02Å; L49-V140 HydrophobicContact CG-CG2 4.15Å
50	R	92.1	Very high	91	Very high	14 Å²	14	65.8 Å²	65.8	5%	0.053	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-47.7	177.2	177	173.4	-87.7	169.4	-3.9	111.6	V35 D37 Q46 R47 T52 M53 A54 L139 E142 E143	V35-R50 VanDerWaalsContact CG1-NH1 3.33Å; D37-R50 VanDerWaalsContact OD1-CD 3.31Å; D37-R50 WeakPolarHBondContact OD1-CD 3.44Å; D37-R50 IonicContact OD1-CZ 3.61Å; D37-R50 IonicContact OD1-NE 3.88Å; D37-R50 IonicContact OD1-NH1 2.62Å; D37-R50 PolarHBondContact OD1-NH1 3.21Å; Q46-R50 PolarHBondContact O-N 3.15Å; R47-R50 PolarHBondContact O-N 3.36Å; R50-T52 PolarHBondContact O-N 3.42Å; R50-M53 PolarHBondContact O-N 2.85Å; R50-A54 VanDerWaalsContact O-CB 3.31Å; R50-A54 WeakPolarHBondContact O-CB 3.45Å; R50-A54 PolarHBondContact O-N 2.9Å; R50-L139 VanDerWaalsContact CZ-CD2 3.44Å; R50-E142 IonicContact CZ-OE2 3.86Å; R50-E142 IonicContact NH2-OE1 3.57Å; R50-E142 IonicContact NH2-OE2 2.73Å; R50-E142 PolarHBondContact NH2-OE2 3.45Å; R50-E143 HydrophobicContact CG-CG 4.01Å; R50-E143 WeakPolarHBondContact CG-OE1 3.35Å; R50-E143 IonicContact NE-OE1 3.43Å; R50-E143 PolarHBondContact NE-OE1 3.39Å
51	Q	91.4	Very high	91.1	Very high	117 Å²	117	61.8 Å²	61.8	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-42.1	178.7	-71.7	173	8.2	0	0	112.7	R47 Q48 L49 A54 K55	R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 VanDerWaalsContact O-CG 3.3Å; R47-Q51 WeakPolarHBondContact O-CG 3.4Å; R47-Q51 PolarHBondContact O-N 3.34Å; Q48-Q51 PolarHBondContact O-N 2.87Å; L49-Q51 PolarHBondContact O-N 2.99Å; Q51-A54 PolarHBondContact O-N 2.96Å; Q51-K55 WeakPolarHBondContact O-CB 3.5Å; Q51-K55 PolarHBondContact O-N 3.33Å
52	T	93.5	Very high	90.9	Very high	70 Å²	70	59.9 Å²	59.9	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-46.5	177.6	-59	0	0	0	0	110.6	Q48 L49 R50 F56	Q48-T52 WeakPolarHBondContact O-CB 3.49Å; Q48-T52 PolarHBondContact O-N 3.24Å; Q48-T52 PolarHBondContact O-OG1 2.87Å; L49-T52 PolarHBondContact O-N 2.89Å; R50-T52 PolarHBondContact O-N 3.42Å; T52-F56 WeakPolarHBondContact O-CB 3.3Å; T52-F56 PolarHBondContact O-N 3.25Å
53	M	93.9	Very high	90.7	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-47.2	177	-74.3	-54.5	-52.1	0	0	112.2	L49 R50 K55 F56 L57 L113 L116 V118 V140 E143 I144	L49-M53 HydrophobicContact CD1-CG 4.42Å; L49-M53 WeakPolarHBondContact O-CG 3.29Å; L49-M53 PolarHBondContact O-N 3.48Å; R50-M53 PolarHBondContact O-N 2.85Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.26Å; M53-F56 PolarHBondContact O-N 2.9Å; M53-L57 HydrophobicContact CB-CD1 4.37Å; M53-L57 HydrophobicContact CE-CD1 3.78Å; M53-L57 HydrophobicContact CE-CD2 4.21Å; M53-L57 HydrophobicContact CE-CG 3.96Å; M53-L57 WeakPolarHBondContact O-CB 3.25Å; M53-L57 WeakPolarHBondContact O-CD1 3.32Å; M53-L57 WeakPolarHBondContact O-CG 3.21Å; M53-L57 PolarHBondContact O-N 2.84Å; M53-L113 HydrophobicContact CE-CD2 4.33Å; M53-L116 HydrophobicContact SD-CD1 4.42Å; M53-V118 HydrophobicContact SD-CG1 3.83Å; M53-V118 HydrophobicContact SD-CG2 4.39Å; M53-V140 HydrophobicContact CE-CG1 4.05Å; M53-V140 HydrophobicContact CG-CG1 4.39Å; M53-V140 HydrophobicContact CG-CG2 4.09Å; M53-V140 HydrophobicContact SD-CG1 4.32Å; M53-E143 HydrophobicContact CB-CB 4.05Å; M53-E143 HydrophobicContact CB-CG 4.3Å; M53-I144 HydrophobicContact CE-CD1 4.21Å; M53-I144 HydrophobicContact CE-CG1 3.91Å
54	A	90.9	Very high	90.3	Very high	37 Å²	37	64.4 Å²	64.4	31%	0.306	32%	0.317	S	S	.	.	H	α-helix	trans	-56.9	-45.7	178.9	0	0	0	0	0	111.3	R50 Q51 Q58	R50-A54 VanDerWaalsContact O-CB 3.31Å; R50-A54 WeakPolarHBondContact O-CB 3.45Å; R50-A54 PolarHBondContact O-N 2.9Å; Q51-A54 PolarHBondContact O-N 2.96Å; A54-Q58 VanDerWaalsContact O-CB 3.24Å; A54-Q58 WeakPolarHBondContact O-CB 3.49Å; A54-Q58 PolarHBondContact O-N 2.96Å
55	K	90.5	Very high	89.9	Confident	138 Å²	138	58.7 Å²	58.7	60%	0.6	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-52	176.6	-175.4	-179.2	177.4	-174.6	0	111.8	Q51 M53 L57 Q58 E59	Q51-K55 WeakPolarHBondContact O-CB 3.5Å; Q51-K55 PolarHBondContact O-N 3.33Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.26Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.32Å; K55-Q58 PolarHBondContact O-N 3Å; K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 3.35Å
56	F	91.7	Very high	89.5	Confident	27 Å²	27	56.5 Å²	56.5	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-44.9	-180	175.4	-99.6	0	0	0	111.7	T52 M53 E59 H60 F109 Q112 L113 L116	T52-F56 WeakPolarHBondContact O-CB 3.3Å; T52-F56 PolarHBondContact O-N 3.25Å; M53-F56 PolarHBondContact O-N 2.9Å; F56-E59 PolarHBondContact O-N 3.49Å; F56-H60 AromaticContact CD2-CD2 3.55Å; F56-H60 HydrophobicContact CE1-CB 4.43Å; F56-H60 HydrophobicContact CE2-CB 4.3Å; F56-H60 AromaticContact CE2-CD2 3.58Å; F56-H60 AromaticContact CE2-CG 3.78Å; F56-H60 AromaticContact CE2-NE2 3.93Å; F56-H60 HydrophobicContact CZ-CB 4.16Å; F56-H60 WeakPolarHBondContact O-CB 3.37Å; F56-H60 PolarHBondContact O-CD2 2.91Å; F56-H60 VanDerWaalsContact O-CD2 3.25Å; F56-H60 PolarHBondContact O-N 3.38Å; F56-F109 AromaticContact CE1-CE2 3.67Å; F56-F109 HydrophobicContact CE1-CE2 3.67Å; F56-F109 HydrophobicContact CE1-CZ 4.1Å; F56-F109 HydrophobicContact CZ-CE2 4.02Å; F56-Q112 HydrophobicContact CE2-CB 4.39Å; F56-Q112 HydrophobicContact CZ-CB 3.85Å; F56-L113 HydrophobicContact CE1-CD2 3.9Å; F56-L116 HydrophobicContact CB-CD1 4.47Å; F56-L116 HydrophobicContact CD1-CD1 3.68Å; F56-L116 HydrophobicContact CD2-CD1 3.88Å; F56-L116 HydrophobicContact CE1-CD1 3.8Å; F56-L116 HydrophobicContact CE2-CD1 3.98Å; F56-L116 HydrophobicContact CG-CD1 3.73Å; F56-L116 HydrophobicContact CZ-CD1 3.95Å
57	L	90.5	Very high	89.1	Confident	3 Å²	3	59 Å²	59	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-72.6	-34.6	-177.1	-65	165.8	0	0	0	112.5	M53 K55 E59 L61 A62 F109 E143 I144 A147	M53-L57 HydrophobicContact CB-CD1 4.37Å; M53-L57 HydrophobicContact CE-CD1 3.78Å; M53-L57 HydrophobicContact CE-CD2 4.21Å; M53-L57 HydrophobicContact CE-CG 3.96Å; M53-L57 WeakPolarHBondContact O-CB 3.25Å; M53-L57 WeakPolarHBondContact O-CD1 3.32Å; M53-L57 WeakPolarHBondContact O-CG 3.21Å; M53-L57 PolarHBondContact O-N 2.84Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.32Å; L57-E59 VanDerWaalsContact C-N 3.28Å; L57-E59 PolarHBondContact O-N 3.42Å; L57-L61 HydrophobicContact CD2-CB 4.1Å; L57-L61 HydrophobicContact CD2-CD2 3.75Å; L57-L61 CarbonylContact O-C 3.45Å; L57-L61 WeakPolarHBondContact O-CA 3.41Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-A62 PolarHBondContact O-N 3.36Å; L57-F109 HydrophobicContact CD2-CZ 4.12Å; L57-E143 HydrophobicContact CD1-CB 3.82Å; L57-E143 WeakPolarHBondContact CD1-O 3.11Å; L57-I144 HydrophobicContact CD1-CB 4.31Å; L57-I144 HydrophobicContact CD1-CG1 3.82Å; L57-I144 HydrophobicContact CD2-CG1 4Å; L57-A147 HydrophobicContact CB-CB 3.93Å
58	Q	87.2	Confident	88.7	Confident	86 Å²	86	56.2 Å²	56.2	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-37.7	174.6	-173.7	66.7	6.2	0	0	111.7	A54 K55 P63	A54-Q58 VanDerWaalsContact O-CB 3.24Å; A54-Q58 WeakPolarHBondContact O-CB 3.49Å; A54-Q58 PolarHBondContact O-N 2.96Å; K55-Q58 PolarHBondContact O-N 3Å; Q58-P63 WeakPolarHBondContact O-CD 3.22Å
59	E	86.5	Confident	88.3	Confident	112 Å²	112	54.4 Å²	54.4	52%	0.523	28%	0.277	S	S	.	.	H	α-helix	trans	-79.4	-45.9	179	-68.5	173.9	-168.6	0	0	111.9	K55 F56 L57	K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 3.35Å; F56-E59 PolarHBondContact O-N 3.49Å; L57-E59 VanDerWaalsContact C-N 3.28Å; L57-E59 PolarHBondContact O-N 3.42Å
60	H	86.4	Confident	87.9	Confident	65 Å²	65	61.6 Å²	61.6	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-96.7	-32.3	-166.9	-70.3	-95.6	0	0	0	114.5	F56 K64 F109 Q112	F56-H60 AromaticContact CD2-CD2 3.55Å; F56-H60 HydrophobicContact CE1-CB 4.43Å; F56-H60 HydrophobicContact CE2-CB 4.3Å; F56-H60 AromaticContact CE2-CD2 3.58Å; F56-H60 AromaticContact CE2-CG 3.78Å; F56-H60 AromaticContact CE2-NE2 3.93Å; F56-H60 HydrophobicContact CZ-CB 4.16Å; F56-H60 WeakPolarHBondContact O-CB 3.37Å; F56-H60 PolarHBondContact O-CD2 2.91Å; F56-H60 VanDerWaalsContact O-CD2 3.25Å; F56-H60 PolarHBondContact O-N 3.38Å; H60-K64 PolarHBondContact O-NZ 3.47Å; H60-F109 HydrophobicContact CB-CE2 4.39Å; H60-Q112 PolarHBondContact ND1-OE1 3.02Å
61	L	86.1	Confident	87.5	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-46.2	-169.4	-178.5	59	0	0	0	113.9	L57 P63 K64 A65 I68 F74 F109 I144 A147 V151	L57-L61 HydrophobicContact CD2-CB 4.1Å; L57-L61 HydrophobicContact CD2-CD2 3.75Å; L57-L61 CarbonylContact O-C 3.45Å; L57-L61 WeakPolarHBondContact O-CA 3.41Å; L57-L61 PolarHBondContact O-N 3.01Å; L61-P63 VanDerWaalsContact C-CD 3.45Å; L61-K64 PolarHBondContact O-N 3.28Å; L61-A65 PolarHBondContact O-N 3.38Å; L61-A65 VanDerWaalsContact O-N 3.13Å; L61-I68 HydrophobicContact CD1-CD1 3.96Å; L61-F74 HydrophobicContact CD1-CE2 3.94Å; L61-F74 HydrophobicContact CD1-CZ 4.32Å; L61-F109 HydrophobicContact CB-CE2 4.38Å; L61-F109 HydrophobicContact CB-CZ 4.27Å; L61-F109 HydrophobicContact CD2-CZ 4.11Å; L61-I144 HydrophobicContact CD2-CG2 4.37Å; L61-A147 HydrophobicContact CB-CB 4.39Å; L61-A147 HydrophobicContact CD2-CB 3.86Å; L61-A147 HydrophobicContact CG-CB 4.09Å; L61-V151 HydrophobicContact CD1-CB 4.44Å; L61-V151 HydrophobicContact CD1-CG2 3.78Å; L61-V151 HydrophobicContact CD2-CB 4.02Å; L61-V151 HydrophobicContact CD2-CG1 3.97Å; L61-V151 HydrophobicContact CD2-CG2 4.25Å
62	A	85.6	Confident	87.2	Confident	24 Å²	24	64.2 Å²	64.2	20%	0.198	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-55.1	-41.1	-173.8	0	0	0	0	0	114.2	L57 K64 A65	L57-A62 PolarHBondContact O-N 3.36Å; A62-K64 PolarHBondContact O-N 3.45Å; A62-K64 VanDerWaalsContact O-N 3.16Å; A62-A65 PolarHBondContact O-N 3.05Å
63	P	87.1	Confident	86.3	Confident	84 Å²	84	64.6 Å²	64.6	55%	0.545	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.8	178.1	-22	34.8	0	0	0	113.8	Q58 L61	Q58-P63 WeakPolarHBondContact O-CD 3.22Å; L61-P63 VanDerWaalsContact C-CD 3.45Å
64	K	84.1	Confident	85.2	Confident	67 Å²	67	65.5 Å²	65.5	29%	0.291	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-103.5	-14.4	-173.9	-60.7	172.3	-171.1	132.7	0	112.5	H60 L61 A62 Q66 E67 I68 L77	H60-K64 PolarHBondContact O-NZ 3.47Å; L61-K64 PolarHBondContact O-N 3.28Å; A62-K64 PolarHBondContact O-N 3.45Å; A62-K64 VanDerWaalsContact O-N 3.16Å; K64-Q66 PolarHBondContact O-N 3.18Å; K64-Q66 VanDerWaalsContact O-N 3.17Å; K64-E67 WeakPolarHBondContact O-CB 3.42Å; K64-E67 PolarHBondContact O-N 3.43Å; K64-I68 HydrophobicContact CB-CD1 4.17Å; K64-I68 WeakPolarHBondContact O-CD1 3.22Å; K64-I68 WeakPolarHBondContact O-CG1 3.01Å; K64-I68 PolarHBondContact O-N 3.32Å; K64-L77 HydrophobicContact CD-CD2 3.24Å; K64-L77 HydrophobicContact CD-CG 4.47Å
65	A	85	Confident	84	Confident	2 Å²	2	68.3 Å²	68.3	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-54.6	-37	-176.3	0	0	0	0	0	113.3	R28 L61 A62 D69 A147	R28-A65 PolarHBondContact NH2-O 3.49Å; L61-A65 PolarHBondContact O-N 3.38Å; L61-A65 VanDerWaalsContact O-N 3.13Å; A62-A65 PolarHBondContact O-N 3.05Å; A65-D69 PolarHBondContact O-N 3.25Å; A65-A147 WeakPolarHBondContact CB-O 3.43Å
66	Q	84.3	Confident	82.1	Confident	86 Å²	86	67.9 Å²	67.9	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-70.3	-37.3	178.2	-167.8	-178.4	11.9	0	0	112.1	S26 K64 R70	S26-Q66 PolarHBondContact O-OE1 3.06Å; K64-Q66 PolarHBondContact O-N 3.18Å; K64-Q66 VanDerWaalsContact O-N 3.17Å; Q66-R70 WeakPolarHBondContact O-CB 3.07Å; Q66-R70 PolarHBondContact O-N 3.34Å
67	E	83.9	Confident	79.9	Confident	75 Å²	75	67.6 Å²	67.6	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-40.1	179.5	-169.5	59.7	-144.4	0	0	112.1	K64 D69 R70 S71	K64-E67 WeakPolarHBondContact O-CB 3.42Å; K64-E67 PolarHBondContact O-N 3.43Å; E67-D69 VanDerWaalsContact C-N 3.32Å; E67-D69 PolarHBondContact O-N 3.12Å; E67-R70 PolarHBondContact O-N 3.16Å; E67-R70 IonicContact OE1-CZ 3.45Å; E67-R70 IonicContact OE1-NE 2.64Å; E67-R70 PolarHBondContact OE1-NE 3.41Å; E67-R70 IonicContact OE1-NH2 2.79Å; E67-R70 PolarHBondContact OE1-NH2 2.99Å; E67-R70 IonicContact OE2-CZ 2.58Å; E67-R70 IonicContact OE2-NE 3.09Å; E67-R70 PolarHBondContact OE2-NE 3.45Å; E67-R70 IonicContact OE2-NH1 3.1Å; E67-R70 IonicContact OE2-NH2 3.98Å; E67-R70 PolarHBondContact OE2-NH2 2.89Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.26Å; E67-S71 PolarHBondContact O-OG 2.98Å
68	I	83.9	Confident	77	Confident	14 Å²	14	78.7 Å²	78.7	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-49.2	179.4	-68.2	158.6	0	0	0	109.7	L61 K64 N72 E73 F74 A150 V151	L61-I68 HydrophobicContact CD1-CD1 3.96Å; K64-I68 HydrophobicContact CB-CD1 4.17Å; K64-I68 WeakPolarHBondContact O-CD1 3.22Å; K64-I68 WeakPolarHBondContact O-CG1 3.01Å; K64-I68 PolarHBondContact O-N 3.32Å; I68-N72 WeakPolarHBondContact O-CA 3.34Å; I68-N72 PolarHBondContact O-N 3.34Å; I68-N72 VanDerWaalsContact O-N 3.09Å; I68-E73 PolarHBondContact O-N 3.33Å; I68-F74 HydrophobicContact CD1-CD2 3.39Å; I68-F74 HydrophobicContact CD1-CE2 3.22Å; I68-F74 HydrophobicContact CD1-CG 4.47Å; I68-F74 HydrophobicContact CD1-CZ 4.21Å; I68-F74 HydrophobicContact CG1-CD2 3.62Å; I68-F74 HydrophobicContact CG1-CE2 3.97Å; I68-F74 HydrophobicContact CG1-CG 4.37Å; I68-F74 HydrophobicContact CG2-CD2 4.12Å; I68-A150 HydrophobicContact CG2-CB 4.29Å; I68-V151 HydrophobicContact CD1-CG2 4.44Å
69	D	85.9	Confident	74.3	Confident	83 Å²	83	77.8 Å²	77.8	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-45	178.5	-72.6	17.8	0	0	0	111.4	R28 A65 E67 S71 N72	R28-D69 IonicContact CZ-OD1 2.81Å; R28-D69 IonicContact CZ-OD2 2.63Å; R28-D69 IonicContact NH1-OD2 3.9Å; R28-D69 PolarHBondContact NH1-OD2 3.36Å; R28-D69 IonicContact NH2-OD1 3.56Å; R28-D69 PolarHBondContact NH2-OD1 3.32Å; R28-D69 IonicContact NH2-OD2 3.22Å; R28-D69 PolarHBondContact NH2-OD2 3.12Å; A65-D69 PolarHBondContact O-N 3.25Å; E67-D69 VanDerWaalsContact C-N 3.32Å; E67-D69 PolarHBondContact O-N 3.12Å; D69-S71 VanDerWaalsContact C-N 3.33Å; D69-S71 PolarHBondContact O-N 3.34Å; D69-N72 PolarHBondContact O-N 3.47Å
70	R	84.7	Confident	71.3	Confident	186 Å²	186	78 Å²	78	70%	0.702	39%	0.388	S	S	*	.	H	α-helix	trans	-62.1	-41.6	-177.6	-176.3	179.3	69.7	174.1	7.5	112.4	Q66 E67	Q66-R70 WeakPolarHBondContact O-CB 3.07Å; Q66-R70 PolarHBondContact O-N 3.34Å; E67-R70 PolarHBondContact O-N 3.16Å; E67-R70 IonicContact OE1-CZ 3.45Å; E67-R70 IonicContact OE1-NE 2.64Å; E67-R70 PolarHBondContact OE1-NE 3.41Å; E67-R70 IonicContact OE1-NH2 2.79Å; E67-R70 PolarHBondContact OE1-NH2 2.99Å; E67-R70 IonicContact OE2-CZ 2.58Å; E67-R70 IonicContact OE2-NE 3.09Å; E67-R70 PolarHBondContact OE2-NE 3.45Å; E67-R70 IonicContact OE2-NH1 3.1Å; E67-R70 IonicContact OE2-NH2 3.98Å; E67-R70 PolarHBondContact OE2-NH2 2.89Å
71	S	85.2	Confident	68.3	Low	31 Å²	31	85 Å²	85	22%	0.217	41%	0.412	C	S	.	.	H	α-helix	trans	-89.7	-5.2	-175.9	67.2	0	0	0	0	113.6	E67 D69 E73	E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.26Å; E67-S71 PolarHBondContact O-OG 2.98Å; D69-S71 VanDerWaalsContact C-N 3.33Å; D69-S71 PolarHBondContact O-N 3.34Å; S71-E73 PolarHBondContact O-N 2.84Å; S71-E73 VanDerWaalsContact O-N 3.1Å; S71-E73 PolarHBondContact OG-O 3.27Å
72	N	83.3	Confident	65.3	Low	155 Å²	155	93.3 Å²	93.3	83%	0.829	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	29	-172.2	-164.7	38	0	0	0	113	I68 D69	I68-N72 WeakPolarHBondContact O-CA 3.34Å; I68-N72 PolarHBondContact O-N 3.34Å; I68-N72 VanDerWaalsContact O-N 3.09Å; D69-N72 PolarHBondContact O-N 3.47Å
73	E	76.3	Confident	62.5	Low	78 Å²	78	98 Å²	98	36%	0.364	48%	0.477	S	S	.	.	S	Bend	trans	-152.8	143	-177.7	-172.1	-175	151.2	0	0	109.7	I68 S71 K75 S103	I68-E73 PolarHBondContact O-N 3.33Å; S71-E73 PolarHBondContact O-N 2.84Å; S71-E73 VanDerWaalsContact O-N 3.1Å; S71-E73 PolarHBondContact OG-O 3.27Å; E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 HydrophobicContact CB-CD 4.36Å; E73-K75 HydrophobicContact CB-CG 3.96Å; E73-K75 VanDerWaalsContact CD-CG 3.48Å; E73-K75 HydrophobicContact CG-CG 3.76Å; E73-K75 PolarHBondContact O-N 3Å; E73-K75 WeakPolarHBondContact OE1-CG 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.31Å; E73-K75 IonicContact OE2-NZ 3.33Å; E73-S103 PolarHBondContact OE1-OG 2.95Å
74	F	70	Confident	59.6	Low	22 Å²	22	105 Å²	105	10%	0.096	49%	0.492	C	S	.	.			trans	-82.5	71.4	173.6	-160.8	-86.4	0	0	0	111.6	L61 I68 L77 S103 S105 F106 F109 V151	L61-F74 HydrophobicContact CD1-CE2 3.94Å; L61-F74 HydrophobicContact CD1-CZ 4.32Å; I68-F74 HydrophobicContact CD1-CD2 3.39Å; I68-F74 HydrophobicContact CD1-CE2 3.22Å; I68-F74 HydrophobicContact CD1-CG 4.47Å; I68-F74 HydrophobicContact CD1-CZ 4.21Å; I68-F74 HydrophobicContact CG1-CD2 3.62Å; I68-F74 HydrophobicContact CG1-CE2 3.97Å; I68-F74 HydrophobicContact CG1-CG 4.37Å; I68-F74 HydrophobicContact CG2-CD2 4.12Å; F74-L77 HydrophobicContact CE1-CD1 3.47Å; F74-L77 VanDerWaalsContact CE1-CD1 3.47Å; F74-L77 HydrophobicContact CE1-CG 3.82Å; F74-L77 HydrophobicContact CZ-CD1 3.88Å; F74-L77 HydrophobicContact CZ-CG 4.36Å; F74-S103 WeakPolarHBondContact O-CB 3.4Å; F74-S103 PolarHBondContact O-OG 3.03Å; F74-S105 PolarHBondContact O-OG 3.48Å; F74-F106 HydrophobicContact CB-CB 4.27Å; F74-F106 HydrophobicContact CB-CD2 3.9Å; F74-F106 HydrophobicContact CB-CG 4.44Å; F74-F106 HydrophobicContact CD1-CB 3.67Å; F74-F106 AromaticContact CD1-CD2 3.66Å; F74-F106 HydrophobicContact CD1-CD2 3.66Å; F74-F106 HydrophobicContact CD1-CG 4.16Å; F74-F106 HydrophobicContact CD2-CD2 4.05Å; F74-F106 HydrophobicContact CE1-CB 4.35Å; F74-F106 HydrophobicContact CE1-CD2 4.14Å; F74-F106 HydrophobicContact CG-CB 4.23Å; F74-F106 AromaticContact CG-CD2 3.61Å; F74-F106 HydrophobicContact CG-CD2 3.61Å; F74-F106 HydrophobicContact CG-CG 4.38Å; F74-F109 HydrophobicContact CE1-CB 4.27Å; F74-F109 HydrophobicContact CZ-CB 4.32Å; F74-F109 HydrophobicContact CZ-CD1 4.41Å; F74-F109 HydrophobicContact CZ-CG 4.29Å; F74-V151 HydrophobicContact CD2-CG2 3.97Å; F74-V151 HydrophobicContact CE2-CG2 3.61Å
75	K	64.9	Low	56.8	Low	95 Å²	95	106.2 Å²	106.2	41%	0.413	52%	0.515	S	S	.	.			trans	-80.9	149.9	-178.5	-66.3	173.4	-179.3	170.2	0	113	E73	E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 HydrophobicContact CB-CD 4.36Å; E73-K75 HydrophobicContact CB-CG 3.96Å; E73-K75 VanDerWaalsContact CD-CG 3.48Å; E73-K75 HydrophobicContact CG-CG 3.76Å; E73-K75 PolarHBondContact O-N 3Å; E73-K75 WeakPolarHBondContact OE1-CG 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.31Å; E73-K75 IonicContact OE2-NZ 3.33Å
76	N	51.1	Low	54.2	Low	130 Å²	130	113.4 Å²	113.4	70%	0.695	56%	0.559	S	S	*	*			trans	54.9	72.1	157.8	-65	-35.2	0	0	0	118.4	S105	N76-S105 PolarHBondContact N-OG 3.44Å
77	L	46.2	Very low	51.5	Low	20 Å²	20	113.1 Å²	113.1	11%	0.105	58%	0.579	C	S	.	*			trans	-98.6	89.5	150	-65.1	-177.7	0	0	0	107.7	K64 F74 S105 F109	K64-L77 HydrophobicContact CD-CD2 3.24Å; K64-L77 HydrophobicContact CD-CG 4.47Å; F74-L77 HydrophobicContact CE1-CD1 3.47Å; F74-L77 VanDerWaalsContact CE1-CD1 3.47Å; F74-L77 HydrophobicContact CE1-CG 3.82Å; F74-L77 HydrophobicContact CZ-CD1 3.88Å; F74-L77 HydrophobicContact CZ-CG 4.36Å; L77-S105 VanDerWaalsContact CB-CB 3.44Å; L77-S105 WeakPolarHBondContact CD1-O 3.43Å; L77-F109 HydrophobicContact CD1-CB 3.53Å; L77-F109 HydrophobicContact CD1-CD2 4.21Å; L77-F109 HydrophobicContact CD1-CG 4.19Å
78	R	28.7	Very low	48.8	Very low	237 Å²	237	113.6 Å²	113.6	89%	0.894	60%	0.603	S	S	*	*			trans	-79.8	114.4	153.8	-77	-173.7	-159.9	-156.5	3.3	106.6
79	V	30.2	Very low	46.2	Very low	66 Å²	66	118 Å²	118	40%	0.4	64%	0.636	S	S	.	*			trans	-76	127.2	154.9	-171.8	0	0	0	0	106	W81	V79-W81 VanDerWaalsContact C-N 3.27Å; V79-W81 HydrophobicContact CG1-CG 4.34Å; V79-W81 PolarHBondContact O-N 2.98Å
80	S	24.1	Very low	43.4	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	66%	0.659	S	S	*	*			trans	-68.7	89.3	170.7	179.4	0	0	0	0	108.5
81	W	24	Very low	40.8	Very low	213 Å²	213	118.7 Å²	118.7	81%	0.807	67%	0.666	S	S	*	*			trans	-115.5	110.8	156.2	-66.8	106.5	0	0	0	106.4	V79 V83	V79-W81 VanDerWaalsContact C-N 3.27Å; V79-W81 HydrophobicContact CG1-CG 4.34Å; V79-W81 PolarHBondContact O-N 2.98Å; W81-V83 VanDerWaalsContact C-N 3.31Å; W81-V83 PolarHBondContact O-N 3.45Å
82	E	22.5	Very low	38.2	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	70%	0.702	S	S	*	*			trans	-71.9	91.5	172.4	-168.4	166.7	-169.9	0	0	108.2
83	V	26.3	Very low	35.5	Very low	121 Å²	121	121.2 Å²	121.2	73%	0.733	70%	0.701	S	S	*	*			trans	-114.6	104.3	164.9	179.5	0	0	0	0	106.6	W81 A85	W81-V83 VanDerWaalsContact C-N 3.31Å; W81-V83 PolarHBondContact O-N 3.45Å; V83-A85 PolarHBondContact O-N 2.99Å
84	R	27.1	Very low	33.2	Very low	231 Å²	231	126.6 Å²	126.6	87%	0.872	73%	0.732	S	S	*	*			trans	-65.7	117.4	166.4	-82.4	-179	178.4	173.4	-0.6	108
85	A	24.9	Very low	31	Very low	93 Å²	93	129.9 Å²	129.9	77%	0.769	76%	0.757	S	S	*	*			trans	-137.8	135	161.6	0	0	0	0	0	110.8	V83	V83-A85 PolarHBondContact O-N 2.99Å
86	V	30.1	Very low	29.2	Very low	154 Å²	154	132 Å²	132	93%	0.933	78%	0.782	S	S	*	*			trans	-75	149.5	-176.5	179.7	0	0	0	0	110.1
87	G	27.5	Very low	28	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	78%	0.777	S	S	*	*			trans	-82	-175.3	-160.6	0	0	0	0	0	117.9
88	G	27.8	Very low	27.1	Very low	84 Å²	84	134.6 Å²	134.6	87%	0.866	82%	0.815	S	S	*	*			trans	173.2	143	176.3	0	0	0	0	0	112.7
89	S	28.4	Very low	27	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	80%	0.797	S	S	*	*			trans	-101.6	146.6	-153	48.5	0	0	0	0	117.3
90	Q	29.1	Very low	27	Very low	201 Å²	201	131.8 Å²	131.8	94%	0.939	81%	0.811	S	S	*	*			trans	67.9	136.9	137.5	-67.8	-169.2	8.2	0	0	123.6
91	G	29.3	Very low	27.3	Very low	82 Å²	82	134.6 Å²	134.6	85%	0.845	81%	0.808	S	S	*	*			trans	160.2	109.8	153.3	0	0	0	0	0	114.1
92	V	29.8	Very low	28.3	Very low	161 Å²	161	126.2 Å²	126.2	98%	0.976	78%	0.782	S	S	*	*			trans	-106	134.4	179.9	-105.1	0	0	0	0	111.2
93	G	26.2	Very low	29.7	Very low	78 Å²	78	118.9 Å²	118.9	80%	0.804	75%	0.751	S	S	*	*			trans	-146.7	127	169.4	0	0	0	0	0	110.6
94	L	28.1	Very low	31.2	Very low	191 Å²	191	121.2 Å²	121.2	100%	1	75%	0.753	S	S	*	*			trans	-91.1	112.7	-178.2	-82.1	152.4	0	0	0	110.2
95	S	24.6	Very low	33	Very low	91 Å²	91	110.5 Å²	110.5	64%	0.636	71%	0.713	S	S	*	*			trans	-110.6	143.8	168.9	168.6	0	0	0	0	109	T97	S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 2.73Å
96	C	27	Very low	35.5	Very low	138 Å²	138	106.5 Å²	106.5	93%	0.932	68%	0.679	S	S	*	*			trans	-65.1	86.1	170.8	-169.7	0	0	0	0	109.5
97	T	25.4	Very low	38	Very low	95 Å²	95	101.9 Å²	101.9	58%	0.583	65%	0.648	S	S	*	*			trans	-121.1	135.3	161.1	44.5	0	0	0	0	105.6	S95 A99	S95-T97 VanDerWaalsContact C-N 3.26Å; S95-T97 PolarHBondContact O-N 2.73Å; T97-A99 PolarHBondContact O-N 3.43Å
98	A	28.2	Very low	40.8	Very low	111 Å²	111	101.7 Å²	101.7	92%	0.917	63%	0.626	S	S	*	*			trans	-61.8	83.7	150.1	0	0	0	0	0	105.2	W100	A98-W100 VanDerWaalsContact C-N 3.28Å; A98-W100 PolarHBondContact O-N 2.62Å
99	A	26.8	Very low	43.7	Very low	62 Å²	62	97.8 Å²	97.8	51%	0.512	59%	0.585	S	S	.	*			trans	-71.5	91.6	-173.5	0	0	0	0	0	106.3	T97 K101	T97-A99 PolarHBondContact O-N 3.43Å; A99-K101 PolarHBondContact O-N 2.79Å
100	W	29.4	Very low	46.8	Very low	182 Å²	182	92.6 Å²	92.6	69%	0.689	55%	0.549	S	S	*	.			trans	-59.6	92.3	152.3	-170.3	-10.4	0	0	0	105.5	A98 S102	A98-W100 VanDerWaalsContact C-N 3.28Å; A98-W100 PolarHBondContact O-N 2.62Å; W100-S102 PolarHBondContact O-N 3.48Å
101	K	31.1	Very low	49.9	Very low	175 Å²	175	86.9 Å²	86.9	76%	0.761	52%	0.521	S	S	*	.			trans	-67.6	84.5	163.9	-76.1	-179.1	179.4	176.9	0	105	A99 S103	A99-K101 PolarHBondContact O-N 2.79Å; K101-S103 PolarHBondContact O-N 3.34Å
102	S	43.7	Very low	52.9	Low	37 Å²	37	84.7 Å²	84.7	26%	0.259	49%	0.489	S	S	.	.			trans	-59.8	108.5	169.2	-57.1	0	0	0	0	105.7	W100 H104	W100-S102 PolarHBondContact O-N 3.48Å; S102-H104 PolarHBondContact O-N 3.15Å
103	S	52.8	Low	56	Low	22 Å²	22	77 Å²	77	15%	0.154	44%	0.442	C	S	.	.			trans	-52	130.9	175.2	-30.2	0	0	0	0	106.3	E73 F74 K101 S105 F106	E73-S103 PolarHBondContact OE1-OG 2.95Å; F74-S103 WeakPolarHBondContact O-CB 3.4Å; F74-S103 PolarHBondContact O-OG 3.03Å; K101-S103 PolarHBondContact O-N 3.34Å; S103-S105 VanDerWaalsContact CB-OG 3.24Å; S103-S105 WeakPolarHBondContact CB-OG 3.48Å; S103-S105 CarbonylContact O-C 3.58Å; S103-S105 PolarHBondContact O-N 3.13Å; S103-F106 PolarHBondContact O-N 3.08Å
104	H	56.9	Low	59.3	Low	169 Å²	169	73.8 Å²	73.8	78%	0.782	41%	0.41	S	S	*	.	H	α-helix	trans	-46.4	-30.9	-175.2	-86	59	0	0	0	112.4	S102 E108	S102-H104 PolarHBondContact O-N 3.15Å; H104-E108 WeakPolarHBondContact O-CG 3.2Å; H104-E108 PolarHBondContact O-N 2.93Å
105	S	66.4	Low	62.4	Low	6 Å²	6	71.4 Å²	71.4	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-55.4	-46.2	172.5	47.1	0	0	0	0	116.6	F74 N76 L77 S103 L107 E108 F109	F74-S105 PolarHBondContact O-OG 3.48Å; N76-S105 PolarHBondContact N-OG 3.44Å; L77-S105 VanDerWaalsContact CB-CB 3.44Å; L77-S105 WeakPolarHBondContact CD1-O 3.43Å; S103-S105 VanDerWaalsContact CB-OG 3.24Å; S103-S105 WeakPolarHBondContact CB-OG 3.48Å; S103-S105 CarbonylContact O-C 3.58Å; S103-S105 PolarHBondContact O-N 3.13Å; S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 3.31Å; S105-E108 PolarHBondContact O-N 3.14Å; S105-F109 PolarHBondContact O-N 3.43Å
106	F	76.5	Confident	65.7	Low	9 Å²	9	70.4 Å²	70.4	4%	0.039	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-41.8	-177.4	-175.4	-104.7	0	0	0	111.4	F74 S103 E108 F109 W110 I188	F74-F106 HydrophobicContact CB-CB 4.27Å; F74-F106 HydrophobicContact CB-CD2 3.9Å; F74-F106 HydrophobicContact CB-CG 4.44Å; F74-F106 HydrophobicContact CD1-CB 3.67Å; F74-F106 AromaticContact CD1-CD2 3.66Å; F74-F106 HydrophobicContact CD1-CD2 3.66Å; F74-F106 HydrophobicContact CD1-CG 4.16Å; F74-F106 HydrophobicContact CD2-CD2 4.05Å; F74-F106 HydrophobicContact CE1-CB 4.35Å; F74-F106 HydrophobicContact CE1-CD2 4.14Å; F74-F106 HydrophobicContact CG-CB 4.23Å; F74-F106 AromaticContact CG-CD2 3.61Å; F74-F106 HydrophobicContact CG-CD2 3.61Å; F74-F106 HydrophobicContact CG-CG 4.38Å; S103-F106 PolarHBondContact O-N 3.08Å; F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 3.19Å; F106-F109 PolarHBondContact O-N 3.18Å; F106-W110 HydrophobicContact CE1-CD2 4.29Å; F106-W110 AromaticContact CE1-CE3 3.89Å; F106-W110 HydrophobicContact CE1-CE3 3.89Å; F106-W110 HydrophobicContact CE1-CZ3 4.14Å; F106-W110 AromaticContact CE2-CE3 3.93Å; F106-W110 HydrophobicContact CE2-CE3 3.93Å; F106-W110 AromaticContact CE2-CZ3 3.74Å; F106-W110 HydrophobicContact CE2-CZ3 3.74Å; F106-W110 HydrophobicContact CZ-CD2 4.29Å; F106-W110 AromaticContact CZ-CE3 3.51Å; F106-W110 HydrophobicContact CZ-CE3 3.51Å; F106-W110 AromaticContact CZ-CH2 3.99Å; F106-W110 HydrophobicContact CZ-CH2 3.99Å; F106-W110 AromaticContact CZ-CZ3 3.34Å; F106-W110 HydrophobicContact CZ-CZ3 3.34Å; F106-W110 PolarHBondContact O-N 3.3Å; F106-I188 HydrophobicContact CD1-CD1 3.76Å; F106-I188 HydrophobicContact CE1-CD1 3.61Å; F106-I188 HydrophobicContact CE1-CG1 4.4Å
107	L	82.6	Confident	69	Low	57 Å²	57	64.6 Å²	64.6	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-39.1	175.9	-69.2	168.6	0	0	0	112.1	S105 W110 K111 I188	S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 3.31Å; L107-W110 WeakPolarHBondContact O-CB 3.38Å; L107-W110 PolarHBondContact O-N 2.88Å; L107-K111 WeakPolarHBondContact O-CG 3.36Å; L107-K111 PolarHBondContact O-N 3.11Å; L107-I188 HydrophobicContact CD2-CD1 3.5Å; L107-I188 HydrophobicContact CD2-CG1 4.18Å
108	E	86.6	Confident	72.4	Confident	77 Å²	77	60.3 Å²	60.3	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-39.4	175.8	-71.2	-63.2	123.4	0	0	112.2	H104 S105 F106 W110 K111 Q112	H104-E108 WeakPolarHBondContact O-CG 3.2Å; H104-E108 PolarHBondContact O-N 2.93Å; S105-E108 PolarHBondContact O-N 3.14Å; F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 3.19Å; E108-W110 VanDerWaalsContact C-N 3.32Å; E108-K111 IonicContact OE1-NZ 3.31Å; E108-K111 PolarHBondContact OE1-NZ 3.47Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.45Å; E108-Q112 VanDerWaalsContact O-N 3.14Å; E108-Q112 PolarHBondContact O-NE2 3.42Å
109	F	89.3	Confident	75.6	Confident	1 Å²	1	55 Å²	55	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-41	171.2	-171.4	-113.1	0	0	0	111.7	F56 L57 H60 L61 F74 L77 S105 F106 K111 Q112 L113 V151	F56-F109 AromaticContact CE1-CE2 3.67Å; F56-F109 HydrophobicContact CE1-CE2 3.67Å; F56-F109 HydrophobicContact CE1-CZ 4.1Å; F56-F109 HydrophobicContact CZ-CE2 4.02Å; L57-F109 HydrophobicContact CD2-CZ 4.12Å; H60-F109 HydrophobicContact CB-CE2 4.39Å; L61-F109 HydrophobicContact CB-CE2 4.38Å; L61-F109 HydrophobicContact CB-CZ 4.27Å; L61-F109 HydrophobicContact CD2-CZ 4.11Å; F74-F109 HydrophobicContact CE1-CB 4.27Å; F74-F109 HydrophobicContact CZ-CB 4.32Å; F74-F109 HydrophobicContact CZ-CD1 4.41Å; F74-F109 HydrophobicContact CZ-CG 4.29Å; L77-F109 HydrophobicContact CD1-CB 3.53Å; L77-F109 HydrophobicContact CD1-CD2 4.21Å; L77-F109 HydrophobicContact CD1-CG 4.19Å; S105-F109 PolarHBondContact O-N 3.43Å; F106-F109 PolarHBondContact O-N 3.18Å; F109-K111 PolarHBondContact O-N 3.22Å; F109-Q112 WeakPolarHBondContact O-CB 3.37Å; F109-Q112 PolarHBondContact O-N 2.84Å; F109-Q112 VanDerWaalsContact O-N 3.11Å; F109-L113 HydrophobicContact CD1-CD1 4.07Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.62Å; F109-L113 HydrophobicContact CE1-CD2 4.29Å; F109-L113 HydrophobicContact CE1-CG 3.96Å; F109-L113 HydrophobicContact CZ-CD1 4.27Å; F109-L113 HydrophobicContact CZ-CD2 4.11Å; F109-L113 HydrophobicContact CZ-CG 4.21Å; F109-L113 PolarHBondContact O-N 3.12Å; F109-V151 HydrophobicContact CD1-CG1 4.33Å; F109-V151 HydrophobicContact CE1-CG1 3.66Å
110	W	92.9	Very high	78.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-47.1	178.8	-135.3	-112	0	0	0	111.7	F106 L107 E108 Q112 L113 G114 L119 H158 I188	F106-W110 HydrophobicContact CE1-CD2 4.29Å; F106-W110 AromaticContact CE1-CE3 3.89Å; F106-W110 HydrophobicContact CE1-CE3 3.89Å; F106-W110 HydrophobicContact CE1-CZ3 4.14Å; F106-W110 AromaticContact CE2-CE3 3.93Å; F106-W110 HydrophobicContact CE2-CE3 3.93Å; F106-W110 AromaticContact CE2-CZ3 3.74Å; F106-W110 HydrophobicContact CE2-CZ3 3.74Å; F106-W110 HydrophobicContact CZ-CD2 4.29Å; F106-W110 AromaticContact CZ-CE3 3.51Å; F106-W110 HydrophobicContact CZ-CE3 3.51Å; F106-W110 AromaticContact CZ-CH2 3.99Å; F106-W110 HydrophobicContact CZ-CH2 3.99Å; F106-W110 AromaticContact CZ-CZ3 3.34Å; F106-W110 HydrophobicContact CZ-CZ3 3.34Å; F106-W110 PolarHBondContact O-N 3.3Å; L107-W110 WeakPolarHBondContact O-CB 3.38Å; L107-W110 PolarHBondContact O-N 2.88Å; E108-W110 VanDerWaalsContact C-N 3.32Å; W110-Q112 VanDerWaalsContact C-N 3.29Å; W110-Q112 PolarHBondContact O-N 3.12Å; W110-L113 HydrophobicContact CE3-CD1 4.32Å; W110-L113 HydrophobicContact CZ3-CD1 4.31Å; W110-L113 WeakPolarHBondContact O-CB 3.44Å; W110-L113 PolarHBondContact O-N 3.36Å; W110-L113 VanDerWaalsContact O-N 3.12Å; W110-G114 PolarHBondContact O-N 3.14Å; W110-L119 HydrophobicContact CD2-CD2 4.32Å; W110-L119 HydrophobicContact CG-CD1 4.26Å; W110-L119 HydrophobicContact CZ2-CD2 4.03Å; W110-L119 WeakPolarHBondContact O-CD1 3.44Å; W110-H158 AromaticContact CE2-CG 3.89Å; W110-H158 HydrophobicContact CH2-CB 4.5Å; W110-H158 HydrophobicContact CZ2-CB 3.53Å; W110-H158 AromaticContact CZ2-CG 3.62Å; W110-H158 AromaticContact NE1-CD2 3.6Å; W110-H158 AromaticContact NE1-CE1 3.3Å; W110-H158 PolarHBondContact NE1-CE1 2.81Å; W110-H158 VanDerWaalsContact NE1-CE1 3.3Å; W110-H158 AromaticContact NE1-CG 3.56Å; W110-H158 AromaticContact NE1-ND1 3.35Å; W110-H158 PolarHBondContact NE1-ND1 3.27Å; W110-H158 AromaticContact NE1-NE2 3.42Å; W110-H158 PolarHBondContact NE1-NE2 2.91Å; W110-I188 HydrophobicContact CG-CG1 4.3Å
111	K	93.6	Very high	82.1	Confident	81 Å²	81	43.5 Å²	43.5	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-35.7	174.3	-68.8	174.3	-174.8	170.3	0	112.8	L107 E108 F109 G114 N115	L107-K111 WeakPolarHBondContact O-CG 3.36Å; L107-K111 PolarHBondContact O-N 3.11Å; E108-K111 IonicContact OE1-NZ 3.31Å; E108-K111 PolarHBondContact OE1-NZ 3.47Å; F109-K111 PolarHBondContact O-N 3.22Å; K111-G114 PolarHBondContact O-N 2.95Å; K111-N115 WeakPolarHBondContact O-CB 3.43Å; K111-N115 PolarHBondContact O-N 3.47Å; K111-N115 PolarHBondContact O-ND2 2.86Å; K111-N115 PolarHBondContact O-OD1 3Å
112	Q	93.6	Very high	85.3	Confident	35 Å²	35	36.2 Å²	36.2	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-42.3	173.7	-70	167.2	39.6	0	0	111.4	F56 H60 E108 F109 W110 G114 N115 L116	F56-Q112 HydrophobicContact CE2-CB 4.39Å; F56-Q112 HydrophobicContact CZ-CB 3.85Å; H60-Q112 PolarHBondContact ND1-OE1 3.02Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.45Å; E108-Q112 VanDerWaalsContact O-N 3.14Å; E108-Q112 PolarHBondContact O-NE2 3.42Å; F109-Q112 WeakPolarHBondContact O-CB 3.37Å; F109-Q112 PolarHBondContact O-N 2.84Å; F109-Q112 VanDerWaalsContact O-N 3.11Å; W110-Q112 VanDerWaalsContact C-N 3.29Å; W110-Q112 PolarHBondContact O-N 3.12Å; Q112-G114 VanDerWaalsContact C-N 3.32Å; Q112-G114 PolarHBondContact O-N 3.01Å; Q112-N115 PolarHBondContact O-N 2.98Å; Q112-L116 WeakPolarHBondContact O-CG 3.49Å; Q112-L116 PolarHBondContact O-N 3.46Å
113	L	94.3	Very high	87.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-36	172.8	-66.4	-177.8	0	0	0	112.4	M53 F56 F109 W110 L116 G117 V118 L119 Y155	M53-L113 HydrophobicContact CE-CD2 4.33Å; F56-L113 HydrophobicContact CE1-CD2 3.9Å; F109-L113 HydrophobicContact CD1-CD1 4.07Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.62Å; F109-L113 HydrophobicContact CE1-CD2 4.29Å; F109-L113 HydrophobicContact CE1-CG 3.96Å; F109-L113 HydrophobicContact CZ-CD1 4.27Å; F109-L113 HydrophobicContact CZ-CD2 4.11Å; F109-L113 HydrophobicContact CZ-CG 4.21Å; F109-L113 PolarHBondContact O-N 3.12Å; W110-L113 HydrophobicContact CE3-CD1 4.32Å; W110-L113 HydrophobicContact CZ3-CD1 4.31Å; W110-L113 WeakPolarHBondContact O-CB 3.44Å; W110-L113 PolarHBondContact O-N 3.36Å; W110-L113 VanDerWaalsContact O-N 3.12Å; L113-L116 HydrophobicContact CD2-CD1 4.47Å; L113-L116 PolarHBondContact O-N 3.3Å; L113-G117 PolarHBondContact O-N 2.82Å; L113-V118 HydrophobicContact CB-CG2 3.93Å; L113-V118 HydrophobicContact CD2-CG2 3.88Å; L113-V118 HydrophobicContact CG-CG2 4.44Å; L113-V118 WeakPolarHBondContact O-CG2 3.13Å; L113-V118 PolarHBondContact O-N 3.36Å; L113-L119 HydrophobicContact CB-CD1 4.43Å; L113-L119 HydrophobicContact CB-CD2 3.79Å; L113-L119 HydrophobicContact CB-CG 3.84Å; L113-L119 HydrophobicContact CD1-CD2 4.14Å; L113-Y155 HydrophobicContact CD1-CD2 4.43Å
114	G	94.8	Very high	89.9	Confident	11 Å²	11	35.3 Å²	35.3	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-45.2	173.2	0	0	0	0	0	112.1	W110 K111 Q112 L116 G117 I183	W110-G114 PolarHBondContact O-N 3.14Å; K111-G114 PolarHBondContact O-N 2.95Å; Q112-G114 VanDerWaalsContact C-N 3.32Å; Q112-G114 PolarHBondContact O-N 3.01Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.33Å; G114-G117 WeakPolarHBondContact O-CA 3.44Å; G114-G117 PolarHBondContact O-N 3.31Å; G114-I183 VanDerWaalsContact CA-O 3.31Å; G114-I183 WeakPolarHBondContact CA-O 3.34Å
115	N	94.7	Very high	91.9	Very high	141 Å²	141	32.2 Å²	32.2	75%	0.754	18%	0.177	S	C	*	.	H	α-helix	trans	-64.4	-29.9	176.5	-67.7	-19.6	0	0	0	113	K111 Q112 G117	K111-N115 WeakPolarHBondContact O-CB 3.43Å; K111-N115 PolarHBondContact O-N 3.47Å; K111-N115 PolarHBondContact O-ND2 2.86Å; K111-N115 PolarHBondContact O-OD1 3Å; Q112-N115 PolarHBondContact O-N 2.98Å; N115-G117 PolarHBondContact O-N 3.05Å
116	L	94	Very high	93.3	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.366	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.6	171.5	-69.5	172.7	0	0	0	113	M53 F56 Q112 L113 G114 V118	M53-L116 HydrophobicContact SD-CD1 4.42Å; F56-L116 HydrophobicContact CB-CD1 4.47Å; F56-L116 HydrophobicContact CD1-CD1 3.68Å; F56-L116 HydrophobicContact CD2-CD1 3.88Å; F56-L116 HydrophobicContact CE1-CD1 3.8Å; F56-L116 HydrophobicContact CE2-CD1 3.98Å; F56-L116 HydrophobicContact CG-CD1 3.73Å; F56-L116 HydrophobicContact CZ-CD1 3.95Å; Q112-L116 WeakPolarHBondContact O-CG 3.49Å; Q112-L116 PolarHBondContact O-N 3.46Å; L113-L116 HydrophobicContact CD2-CD1 4.47Å; L113-L116 PolarHBondContact O-N 3.3Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.33Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 HydrophobicContact CB-CG1 4.35Å; L116-V118 HydrophobicContact CB-CG2 4.36Å; L116-V118 PolarHBondContact O-N 2.8Å
117	G	94.8	Very high	94.2	Very high	16 Å²	16	39.2 Å²	39.2	17%	0.165	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	7.9	-179.7	0	0	0	0	0	114.6	L113 G114 N115 S130	L113-G117 PolarHBondContact O-N 2.82Å; G114-G117 WeakPolarHBondContact O-CA 3.44Å; G114-G117 PolarHBondContact O-N 3.31Å; N115-G117 PolarHBondContact O-N 3.05Å; G117-S130 PolarHBondContact O-OG 3.44Å
118	V	96.8	Very high	94.8	Very high	4 Å²	4	39 Å²	39	2%	0.024	22%	0.221	C	C	.	.			trans	-88.8	-21.7	-172.1	-60.2	0	0	0	0	113.9	M53 L113 L116 G120 I121 V140 Y155	M53-V118 HydrophobicContact SD-CG1 3.83Å; M53-V118 HydrophobicContact SD-CG2 4.39Å; L113-V118 HydrophobicContact CB-CG2 3.93Å; L113-V118 HydrophobicContact CD2-CG2 3.88Å; L113-V118 HydrophobicContact CG-CG2 4.44Å; L113-V118 WeakPolarHBondContact O-CG2 3.13Å; L113-V118 PolarHBondContact O-N 3.36Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 HydrophobicContact CB-CG1 4.35Å; L116-V118 HydrophobicContact CB-CG2 4.36Å; L116-V118 PolarHBondContact O-N 2.8Å; V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 3.3Å; V118-I121 WeakPolarHBondContact O-CB 3.45Å; V118-I121 PolarHBondContact O-N 3.36Å; V118-V140 HydrophobicContact CB-CG1 4.01Å; V118-V140 HydrophobicContact CB-CG2 4.49Å; V118-V140 HydrophobicContact CG1-CG1 4.28Å; V118-V140 HydrophobicContact CG1-CG2 4.1Å; V118-V140 HydrophobicContact CG2-CG1 4.33Å; V118-Y155 HydrophobicContact CG2-CE2 4.47Å; V118-Y155 WeakPolarHBondContact O-CE2 3.3Å; V118-Y155 PolarHBondContact O-OH 2.67Å
119	L	96.8	Very high	95.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-41.7	175.1	-67.6	-176.4	0	0	0	112	W110 L113 Y155 S159 I163	W110-L119 HydrophobicContact CD2-CD2 4.32Å; W110-L119 HydrophobicContact CG-CD1 4.26Å; W110-L119 HydrophobicContact CZ2-CD2 4.03Å; W110-L119 WeakPolarHBondContact O-CD1 3.44Å; L113-L119 HydrophobicContact CB-CD1 4.43Å; L113-L119 HydrophobicContact CB-CD2 3.79Å; L113-L119 HydrophobicContact CB-CG 3.84Å; L113-L119 HydrophobicContact CD1-CD2 4.14Å; L119-Y155 HydrophobicContact CD2-CD2 4.11Å; L119-Y155 HydrophobicContact CD2-CE2 4.31Å; L119-S159 WeakPolarHBondContact O-CB 3.44Å; L119-I163 VanDerWaalsContact O-CD1 3.31Å; L119-I163 WeakPolarHBondContact O-CD1 3.32Å
120	G	96.1	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	34.5	177	0	0	0	0	0	113.7	V118 T122 A123 G129 S130	V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 3.3Å; G120-T122 VanDerWaalsContact C-N 3.32Å; G120-T122 PolarHBondContact O-N 3.25Å; G120-A123 WeakPolarHBondContact O-CB 3.31Å; G120-A123 PolarHBondContact O-N 2.86Å; G120-G129 VanDerWaalsContact O-CA 3.31Å; G120-G129 WeakPolarHBondContact O-CA 3.44Å; G120-S130 PolarHBondContact O-N 3.1Å
121	I	97.1	Very high	95.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.5	-169.5	-167.2	159.8	0	0	0	113.6	L49 V118 G131 L132 E136 H137 V140	L49-I121 HydrophobicContact CD2-CD1 4.18Å; V118-I121 WeakPolarHBondContact O-CB 3.45Å; V118-I121 PolarHBondContact O-N 3.36Å; I121-G131 PolarHBondContact O-N 3.45Å; I121-L132 HydrophobicContact CD1-CD1 4.25Å; I121-L132 HydrophobicContact CG1-CB 4.01Å; I121-L132 HydrophobicContact CG1-CD1 3.95Å; I121-L132 HydrophobicContact CG1-CG 4.44Å; I121-L132 PolarHBondContact O-N 2.82Å; I121-E136 HydrophobicContact CD1-CB 3.96Å; I121-E136 HydrophobicContact CG1-CB 4.43Å; I121-H137 HydrophobicContact CG2-CB 3.75Å; I121-V140 HydrophobicContact CD1-CB 4.47Å; I121-V140 HydrophobicContact CD1-CG2 3.6Å
122	T	97.3	Very high	95.8	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.129	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	176.6	53.1	0	0	0	0	113.7	G120 L132 Y134 H137	G120-T122 VanDerWaalsContact C-N 3.32Å; G120-T122 PolarHBondContact O-N 3.25Å; T122-L132 WeakPolarHBondContact CA-O 3.49Å; T122-Y134 HydrophobicContact CG2-CD1 3.93Å; T122-Y134 HydrophobicContact CG2-CE1 4.06Å; T122-H137 HydrophobicContact CG2-CB 4.05Å
123	A	97	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-82.5	148.7	-178.5	0	0	0	0	0	111.1	G120 G129 G131 I163 V167 I183	G120-A123 WeakPolarHBondContact O-CB 3.31Å; G120-A123 PolarHBondContact O-N 2.86Å; A123-G129 CarbonylContact O-C 3.46Å; A123-G129 WeakPolarHBondContact O-CA 3.4Å; A123-G131 WeakPolarHBondContact O-CA 3.37Å; A123-G131 PolarHBondContact O-N 2.88Å; A123-I163 HydrophobicContact CB-CG2 3.97Å; A123-V167 HydrophobicContact CB-CG2 4.08Å; A123-I183 HydrophobicContact CB-CD1 3.79Å; A123-I183 HydrophobicContact CB-CG1 4.35Å
124	P	96.8	Very high	96	Very high	40 Å²	40	45.1 Å²	45.1	26%	0.26	28%	0.277	S	S	.	.			trans	-60.6	143	177.4	-25.4	35.2	0	0	0	113.1	Q126 Y127 G129 V167	P124-Q126 HydrophobicContact CB-CG 3.98Å; P124-Q126 PolarHBondContact O-N 3.48Å; P124-Y127 HydrophobicContact CB-CD2 4.05Å; P124-Y127 HydrophobicContact CB-CE2 4.32Å; P124-Y127 HydrophobicContact CG-CD2 4.2Å; P124-Y127 HydrophobicContact CG-CE2 4.25Å; P124-Y127 PolarHBondContact O-N 3.35Å; P124-Y127 VanDerWaalsContact O-N 3.12Å; P124-G129 PolarHBondContact O-N 3.38Å; P124-G129 VanDerWaalsContact O-N 3.16Å; P124-V167 HydrophobicContact CG-CG1 4.02Å
125	V	97.3	Very high	96	Very high	105 Å²	105	48.8 Å²	48.8	64%	0.636	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.2	177.9	-176.3	0	0	0	0	112.3	Y127 G128 G129	V125-Y127 PolarHBondContact O-N 2.91Å; V125-Y127 VanDerWaalsContact O-N 3.09Å; V125-G128 PolarHBondContact O-N 2.97Å; V125-G129 WeakPolarHBondContact CA-O 3.31Å
126	Q	96.1	Very high	96.1	Very high	143 Å²	143	43.7 Å²	43.7	67%	0.668	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-58.9	-23.3	178.5	76.7	-165.3	4	0	0	114.1	P124	P124-Q126 HydrophobicContact CB-CG 3.98Å; P124-Q126 PolarHBondContact O-N 3.48Å
127	Y	96.1	Very high	96.3	Very high	19 Å²	19	41 Å²	41	8%	0.075	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-106.5	10.7	175.5	-49	-68	0	0	0	113	P124 V125 E172 K175 E176 L179 I183	P124-Y127 HydrophobicContact CB-CD2 4.05Å; P124-Y127 HydrophobicContact CB-CE2 4.32Å; P124-Y127 HydrophobicContact CG-CD2 4.2Å; P124-Y127 HydrophobicContact CG-CE2 4.25Å; P124-Y127 PolarHBondContact O-N 3.35Å; P124-Y127 VanDerWaalsContact O-N 3.12Å; V125-Y127 PolarHBondContact O-N 2.91Å; V125-Y127 VanDerWaalsContact O-N 3.09Å; Y127-E172 PolarHBondContact OH-OE2 3.1Å; Y127-K175 HydrophobicContact CE1-CB 3.96Å; Y127-K175 HydrophobicContact CE2-CB 4.12Å; Y127-K175 HydrophobicContact CE2-CD 4.12Å; Y127-K175 WeakPolarHBondContact OH-CD 3.31Å; Y127-E176 HydrophobicContact CE1-CG 3.95Å; Y127-L179 HydrophobicContact CD1-CD1 4.48Å; Y127-L179 HydrophobicContact CD2-CD1 3.42Å; Y127-L179 VanDerWaalsContact CD2-CD1 3.42Å; Y127-L179 HydrophobicContact CE2-CD1 3.78Å; Y127-L179 HydrophobicContact CG-CB 4.22Å; Y127-L179 HydrophobicContact CG-CD1 3.8Å; Y127-I183 WeakPolarHBondContact O-CD1 3.37Å
128	G	95.2	Very high	96.4	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	10.4	-177.6	0	0	0	0	0	115.2	V125 I183	V125-G128 PolarHBondContact O-N 2.97Å; G128-I183 VanDerWaalsContact O-CG2 3.25Å; G128-I183 WeakPolarHBondContact O-CG2 3.4Å
129	G	95.8	Very high	96.3	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	27%	0.267	C	S	.	.			trans	-78.7	171.1	175.8	0	0	0	0	0	113.6	G120 A123 P124 V125	G120-G129 VanDerWaalsContact O-CA 3.31Å; G120-G129 WeakPolarHBondContact O-CA 3.44Å; A123-G129 CarbonylContact O-C 3.46Å; A123-G129 WeakPolarHBondContact O-CA 3.4Å; P124-G129 PolarHBondContact O-N 3.38Å; P124-G129 VanDerWaalsContact O-N 3.16Å; V125-G129 WeakPolarHBondContact CA-O 3.31Å
130	S	95.9	Very high	96.3	Very high	46 Å²	46	44.3 Å²	44.3	32%	0.322	27%	0.267	S	S	.	.			trans	-86.5	-13.7	-179.5	-62.7	0	0	0	0	113.7	G117 G120 L132	G117-S130 PolarHBondContact O-OG 3.44Å; G120-S130 PolarHBondContact O-N 3.1Å; S130-L132 PolarHBondContact O-N 3.22Å
131	G	95.7	Very high	96.3	Very high	47 Å²	47	47.1 Å²	47.1	49%	0.485	28%	0.281	S	S	.	.			trans	63.7	23.5	178.1	0	0	0	0	0	114.9	I121 A123	I121-G131 PolarHBondContact O-N 3.45Å; A123-G131 WeakPolarHBondContact O-CA 3.37Å; A123-G131 PolarHBondContact O-N 2.88Å
132	L	95.8	Very high	96.2	Very high	76 Å²	76	50.4 Å²	50.4	40%	0.398	30%	0.296	S	S	.	.			trans	-90.4	174.8	-179.7	-59.1	177.3	0	0	0	111.7	I121 T122 S130 E136	I121-L132 HydrophobicContact CD1-CD1 4.25Å; I121-L132 HydrophobicContact CG1-CB 4.01Å; I121-L132 HydrophobicContact CG1-CD1 3.95Å; I121-L132 HydrophobicContact CG1-CG 4.44Å; I121-L132 PolarHBondContact O-N 2.82Å; T122-L132 WeakPolarHBondContact CA-O 3.49Å; S130-L132 PolarHBondContact O-N 3.22Å; L132-E136 HydrophobicContact CB-CB 3.94Å; L132-E136 HydrophobicContact CB-CG 4.04Å; L132-E136 HydrophobicContact CD1-CB 4.07Å; L132-E136 HydrophobicContact CD1-CG 4.07Å; L132-E136 HydrophobicContact CG-CG 4.46Å
133	G	95.2	Very high	96	Very high	33 Å²	33	49.7 Å²	49.7	34%	0.34	29%	0.292	S	S	.	.			trans	-89.9	-178.8	-178.8	0	0	0	0	0	114.1	L135 E136 H137	G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.44Å; G133-E136 WeakPolarHBondContact CA-OE2 3.41Å; G133-E136 PolarHBondContact N-OE2 3.27Å; G133-H137 PolarHBondContact O-N 3.36Å
134	Y	97.1	Very high	95.8	Very high	113 Å²	113	49.7 Å²	49.7	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-24.6	175.4	-64.9	-60.4	0	0	0	112.8	T122 H137 V138 N164 R168	T122-Y134 HydrophobicContact CG2-CD1 3.93Å; T122-Y134 HydrophobicContact CG2-CE1 4.06Å; Y134-H137 WeakPolarHBondContact O-CB 3.35Å; Y134-H137 PolarHBondContact O-N 3.32Å; Y134-V138 VanDerWaalsContact O-CG2 3.3Å; Y134-V138 WeakPolarHBondContact O-CG2 3.44Å; Y134-V138 PolarHBondContact O-N 2.96Å; Y134-N164 WeakPolarHBondContact CE1-ND2 3.37Å; Y134-N164 PolarHBondContact OH-ND2 3.18Å; Y134-N164 PolarHBondContact OH-OD1 3.16Å; Y134-R168 PolarHBondContact OH-NH1 3.1Å
135	L	95.6	Very high	95.7	Very high	88 Å²	88	49.8 Å²	49.8	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-49	177.2	-179.2	55.1	0	0	0	110.3	L42 Q46 G133 H137 V138 L139	L42-L135 HydrophobicContact CD2-CD2 4.41Å; Q46-L135 VanDerWaalsContact NE2-CD2 3.34Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.44Å; L135-H137 PolarHBondContact O-N 3.29Å; L135-V138 PolarHBondContact O-N 3.35Å; L135-V138 VanDerWaalsContact O-N 3.12Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.21Å
136	E	96.3	Very high	95.3	Very high	33 Å²	33	48 Å²	48	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-37.6	174.9	-64.6	73.3	-152.6	0	0	111.3	Q46 L49 I121 L132 G133 L139 V140	Q46-E136 HydrophobicContact CG-CG 4.32Å; Q46-E136 PolarHBondContact NE2-OE1 2.66Å; L49-E136 HydrophobicContact CD2-CB 3.78Å; L49-E136 HydrophobicContact CD2-CG 4.15Å; I121-E136 HydrophobicContact CD1-CB 3.96Å; I121-E136 HydrophobicContact CG1-CB 4.43Å; L132-E136 HydrophobicContact CB-CB 3.94Å; L132-E136 HydrophobicContact CB-CG 4.04Å; L132-E136 HydrophobicContact CD1-CB 4.07Å; L132-E136 HydrophobicContact CD1-CG 4.07Å; L132-E136 HydrophobicContact CG-CG 4.46Å; G133-E136 WeakPolarHBondContact CA-OE2 3.41Å; G133-E136 PolarHBondContact N-OE2 3.27Å; E136-L139 PolarHBondContact O-N 3.37Å; E136-V140 WeakPolarHBondContact O-CG2 3.1Å; E136-V140 PolarHBondContact O-N 3.27Å; E136-V140 VanDerWaalsContact O-N 3.12Å
137	H	97.6	Very high	95	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.065	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-44.5	174.3	-168	-176.3	0	0	0	112.8	I121 T122 G133 Y134 L135 L139 V140 M141 Y155 S159	I121-H137 HydrophobicContact CG2-CB 3.75Å; T122-H137 HydrophobicContact CG2-CB 4.05Å; G133-H137 PolarHBondContact O-N 3.36Å; Y134-H137 WeakPolarHBondContact O-CB 3.35Å; Y134-H137 PolarHBondContact O-N 3.32Å; L135-H137 PolarHBondContact O-N 3.29Å; H137-L139 VanDerWaalsContact C-N 3.35Å; H137-V140 PolarHBondContact O-N 2.93Å; H137-M141 WeakPolarHBondContact O-CB 3.37Å; H137-M141 PolarHBondContact O-N 2.93Å; H137-Y155 AromaticContact CD2-CE1 3.76Å; H137-Y155 AromaticContact CD2-CZ 3.87Å; H137-Y155 PolarHBondContact CD2-OH 3.32Å; H137-Y155 VanDerWaalsContact CD2-OH 3.3Å; H137-Y155 AromaticContact NE2-CE1 3.62Å; H137-Y155 AromaticContact NE2-CZ 3.78Å; H137-S159 PolarHBondContact CE1-OG 2.98Å; H137-S159 PolarHBondContact NE2-OG 2.95Å
138	V	96.6	Very high	94.7	Very high	87 Å²	87	40.7 Å²	40.7	53%	0.527	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-42.2	176.9	168.7	0	0	0	0	110.8	Y134 L135 V140 M141 E142	Y134-V138 VanDerWaalsContact O-CG2 3.3Å; Y134-V138 WeakPolarHBondContact O-CG2 3.44Å; Y134-V138 PolarHBondContact O-N 2.96Å; L135-V138 PolarHBondContact O-N 3.35Å; L135-V138 VanDerWaalsContact O-N 3.12Å; V138-V140 VanDerWaalsContact C-N 3.34Å; V138-V140 PolarHBondContact O-N 3.29Å; V138-M141 PolarHBondContact O-N 3.02Å; V138-E142 VanDerWaalsContact O-CB 3.3Å; V138-E142 WeakPolarHBondContact O-CB 3.46Å; V138-E142 PolarHBondContact O-N 3.48Å
139	L	94.9	Very high	94.4	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-47.7	176.1	-64.3	175.1	0	0	0	111.4	L42 Q46 R50 L135 E136 H137 E142 E143	L42-L139 HydrophobicContact CD1-CD1 4.3Å; L42-L139 HydrophobicContact CD1-CD2 3.74Å; L42-L139 HydrophobicContact CD2-CD1 4.33Å; L42-L139 HydrophobicContact CD2-CD2 4.19Å; Q46-L139 HydrophobicContact CB-CD1 3.75Å; Q46-L139 HydrophobicContact CG-CD1 4.1Å; R50-L139 VanDerWaalsContact CZ-CD2 3.44Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.21Å; E136-L139 PolarHBondContact O-N 3.37Å; H137-L139 VanDerWaalsContact C-N 3.35Å; L139-E142 PolarHBondContact O-N 3.23Å; L139-E143 WeakPolarHBondContact O-CG 3.48Å; L139-E143 PolarHBondContact O-N 3.03Å; L139-E143 VanDerWaalsContact O-N 3.1Å
140	V	96.3	Very high	94.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-44	177.6	176.9	0	0	0	0	111.5	L49 M53 V118 I121 E136 H137 V138 E142 E143 I144 Y155	L49-V140 HydrophobicContact CD1-CG2 4.12Å; L49-V140 HydrophobicContact CD2-CG2 4.02Å; L49-V140 HydrophobicContact CG-CG2 4.15Å; M53-V140 HydrophobicContact CE-CG1 4.05Å; M53-V140 HydrophobicContact CG-CG1 4.39Å; M53-V140 HydrophobicContact CG-CG2 4.09Å; M53-V140 HydrophobicContact SD-CG1 4.32Å; V118-V140 HydrophobicContact CB-CG1 4.01Å; V118-V140 HydrophobicContact CB-CG2 4.49Å; V118-V140 HydrophobicContact CG1-CG1 4.28Å; V118-V140 HydrophobicContact CG1-CG2 4.1Å; V118-V140 HydrophobicContact CG2-CG1 4.33Å; I121-V140 HydrophobicContact CD1-CB 4.47Å; I121-V140 HydrophobicContact CD1-CG2 3.6Å; E136-V140 WeakPolarHBondContact O-CG2 3.1Å; E136-V140 PolarHBondContact O-N 3.27Å; E136-V140 VanDerWaalsContact O-N 3.12Å; H137-V140 PolarHBondContact O-N 2.93Å; V138-V140 VanDerWaalsContact C-N 3.34Å; V138-V140 PolarHBondContact O-N 3.29Å; V140-E142 VanDerWaalsContact C-N 3.31Å; V140-E142 PolarHBondContact O-N 3.43Å; V140-E143 PolarHBondContact O-N 3.28Å; V140-I144 HydrophobicContact CG1-CD1 3.65Å; V140-I144 HydrophobicContact CG1-CG1 4.23Å; V140-I144 VanDerWaalsContact O-CG1 3.29Å; V140-I144 WeakPolarHBondContact O-CG1 3.3Å; V140-I144 PolarHBondContact O-N 3.13Å; V140-Y155 HydrophobicContact CB-CE1 4.5Å; V140-Y155 HydrophobicContact CG1-CE1 3.96Å; V140-Y155 HydrophobicContact CG1-CE2 4.34Å; V140-Y155 WeakPolarHBondContact CG1-OH 3.32Å
141	M	96.3	Very high	93.9	Very high	58 Å²	58	39.5 Å²	39.5	29%	0.286	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-41.8	179	177.1	60.9	-175.9	0	0	111.7	H137 V138 S145 G152 Y155	H137-M141 WeakPolarHBondContact O-CB 3.37Å; H137-M141 PolarHBondContact O-N 2.93Å; V138-M141 PolarHBondContact O-N 3.02Å; M141-S145 WeakPolarHBondContact CE-OG 3.31Å; M141-S145 WeakPolarHBondContact O-CB 3.27Å; M141-S145 PolarHBondContact O-N 3.24Å; M141-S145 PolarHBondContact O-OG 3.43Å; M141-G152 VanDerWaalsContact CE-O 3.32Å; M141-G152 WeakPolarHBondContact CE-O 3.33Å; M141-Y155 HydrophobicContact CB-CD1 4.45Å; M141-Y155 HydrophobicContact CB-CE1 4.18Å; M141-Y155 HydrophobicContact SD-CD1 3.83Å; M141-Y155 HydrophobicContact SD-CE1 4.46Å
142	E	94.6	Very high	93.8	Very high	71 Å²	71	37.3 Å²	37.3	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-51.5	176.3	-175.7	-173.1	166.4	0	0	110.8	R50 V138 L139 V140 I144 S145 R146	R50-E142 IonicContact CZ-OE2 3.86Å; R50-E142 IonicContact NH2-OE1 3.57Å; R50-E142 IonicContact NH2-OE2 2.73Å; R50-E142 PolarHBondContact NH2-OE2 3.45Å; V138-E142 VanDerWaalsContact O-CB 3.3Å; V138-E142 WeakPolarHBondContact O-CB 3.46Å; V138-E142 PolarHBondContact O-N 3.48Å; L139-E142 PolarHBondContact O-N 3.23Å; V140-E142 VanDerWaalsContact C-N 3.31Å; V140-E142 PolarHBondContact O-N 3.43Å; E142-I144 PolarHBondContact O-N 3.23Å; E142-S145 PolarHBondContact O-N 3.47Å; E142-R146 WeakPolarHBondContact O-CB 3.33Å; E142-R146 PolarHBondContact O-N 2.84Å
143	E	93.5	Very high	93.7	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-42.8	-179	-67.6	-53.8	144.2	0	0	112.3	R50 M53 L57 L139 V140 S145 R146 A147	R50-E143 HydrophobicContact CG-CG 4.01Å; R50-E143 WeakPolarHBondContact CG-OE1 3.35Å; R50-E143 IonicContact NE-OE1 3.43Å; R50-E143 PolarHBondContact NE-OE1 3.39Å; M53-E143 HydrophobicContact CB-CB 4.05Å; M53-E143 HydrophobicContact CB-CG 4.3Å; L57-E143 HydrophobicContact CD1-CB 3.82Å; L57-E143 WeakPolarHBondContact CD1-O 3.11Å; L139-E143 WeakPolarHBondContact O-CG 3.48Å; L139-E143 PolarHBondContact O-N 3.03Å; L139-E143 VanDerWaalsContact O-N 3.1Å; V140-E143 PolarHBondContact O-N 3.28Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.99Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.27Å; E143-R146 IonicContact OE2-NH1 3.93Å; E143-A147 PolarHBondContact O-N 2.93Å
144	I	93.5	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-44.7	175.9	-64.6	172.5	0	0	0	110.3	M53 L57 L61 V140 E142 R146 A147 S148 V151 Y155	M53-I144 HydrophobicContact CE-CD1 4.21Å; M53-I144 HydrophobicContact CE-CG1 3.91Å; L57-I144 HydrophobicContact CD1-CB 4.31Å; L57-I144 HydrophobicContact CD1-CG1 3.82Å; L57-I144 HydrophobicContact CD2-CG1 4Å; L61-I144 HydrophobicContact CD2-CG2 4.37Å; V140-I144 HydrophobicContact CG1-CD1 3.65Å; V140-I144 HydrophobicContact CG1-CG1 4.23Å; V140-I144 VanDerWaalsContact O-CG1 3.29Å; V140-I144 WeakPolarHBondContact O-CG1 3.3Å; V140-I144 PolarHBondContact O-N 3.13Å; E142-I144 PolarHBondContact O-N 3.23Å; I144-R146 VanDerWaalsContact C-N 3.3Å; I144-R146 PolarHBondContact O-N 3.45Å; I144-A147 PolarHBondContact O-N 3.23Å; I144-S148 PolarHBondContact O-N 2.83Å; I144-V151 HydrophobicContact CG2-CB 4.22Å; I144-V151 HydrophobicContact CG2-CG1 3.84Å; I144-Y155 HydrophobicContact CD1-CD1 3.75Å; I144-Y155 HydrophobicContact CD1-CD2 3.81Å; I144-Y155 HydrophobicContact CD1-CE1 4.04Å; I144-Y155 HydrophobicContact CD1-CE2 4.1Å; I144-Y155 HydrophobicContact CD1-CG 3.61Å
145	S	93.7	Very high	93.6	Very high	42 Å²	42	34.9 Å²	34.9	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-66.9	-33.2	-179	-59.6	0	0	0	0	112.3	M141 E142 E143 A147 S148 G149	M141-S145 WeakPolarHBondContact CE-OG 3.31Å; M141-S145 WeakPolarHBondContact O-CB 3.27Å; M141-S145 PolarHBondContact O-N 3.24Å; M141-S145 PolarHBondContact O-OG 3.43Å; E142-S145 PolarHBondContact O-N 3.47Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 2.99Å; S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 2.88Å; S145-S148 CarbonylContact O-C 3.58Å; S145-S148 PolarHBondContact O-N 3.34Å; S145-G149 PolarHBondContact O-N 3.18Å
146	R	89.9	Confident	93.6	Very high	67 Å²	67	31.4 Å²	31.4	25%	0.253	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-37.6	173.4	-179.1	179.8	175.5	174.9	-0.9	111.9	S31 L33 E142 E143 I144	S31-R146 VanDerWaalsContact O-CZ 3.29Å; S31-R146 PolarHBondContact O-NE 3.4Å; S31-R146 VanDerWaalsContact O-NE 3.11Å; S31-R146 PolarHBondContact O-NH2 2.73Å; L33-R146 PolarHBondContact O-NH1 3.36Å; L33-R146 PolarHBondContact O-NH2 2.91Å; E142-R146 WeakPolarHBondContact O-CB 3.33Å; E142-R146 PolarHBondContact O-N 2.84Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.27Å; E143-R146 IonicContact OE2-NH1 3.93Å; I144-R146 VanDerWaalsContact C-N 3.3Å; I144-R146 PolarHBondContact O-N 3.45Å
147	A	89.7	Confident	93.5	Very high	9 Å²	9	31.1 Å²	31.1	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-47.5	174.1	0	0	0	0	0	112.4	L57 L61 A65 E143 I144 S145	L57-A147 HydrophobicContact CB-CB 3.93Å; L61-A147 HydrophobicContact CB-CB 4.39Å; L61-A147 HydrophobicContact CD2-CB 3.86Å; L61-A147 HydrophobicContact CG-CB 4.09Å; A65-A147 WeakPolarHBondContact CB-O 3.43Å; E143-A147 PolarHBondContact O-N 2.93Å; I144-A147 PolarHBondContact O-N 3.23Å; S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 2.88Å
148	S	89.6	Confident	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.			trans	-156.4	117.3	175.3	179.5	0	0	0	0	111.7	I144 S145 A150 V151 G152	I144-S148 PolarHBondContact O-N 2.83Å; S145-S148 CarbonylContact O-C 3.58Å; S145-S148 PolarHBondContact O-N 3.34Å; S148-A150 VanDerWaalsContact C-N 3.28Å; S148-A150 PolarHBondContact O-N 3.47Å; S148-V151 PolarHBondContact O-N 2.91Å; S148-G152 PolarHBondContact O-N 3.49Å
149	G	89.7	Confident	93.5	Very high	36 Å²	36	26.4 Å²	26.4	37%	0.371	16%	0.161	S	C	.	.	H	α-helix	trans	-60.4	-33.5	177.3	0	0	0	0	0	114	S145 G152 L153	S145-G149 PolarHBondContact O-N 3.18Å; G149-G152 PolarHBondContact O-N 3.49Å; G149-L153 PolarHBondContact O-N 3.25Å
150	A	89.3	Confident	93.6	Very high	43 Å²	43	29 Å²	29	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-64.1	-41.8	177.5	0	0	0	0	0	112.1	I68 S148 S154	I68-A150 HydrophobicContact CG2-CB 4.29Å; S148-A150 VanDerWaalsContact C-N 3.28Å; S148-A150 PolarHBondContact O-N 3.47Å; A150-S154 PolarHBondContact O-N 3.45Å; A150-S154 PolarHBondContact O-OG 3.18Å
151	V	90.8	Very high	93.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-74	-37.5	176.7	-178.1	0	0	0	0	110.9	L61 I68 F74 F109 I144 S148 L153 S154 Y155	L61-V151 HydrophobicContact CD1-CB 4.44Å; L61-V151 HydrophobicContact CD1-CG2 3.78Å; L61-V151 HydrophobicContact CD2-CB 4.02Å; L61-V151 HydrophobicContact CD2-CG1 3.97Å; L61-V151 HydrophobicContact CD2-CG2 4.25Å; I68-V151 HydrophobicContact CD1-CG2 4.44Å; F74-V151 HydrophobicContact CD2-CG2 3.97Å; F74-V151 HydrophobicContact CE2-CG2 3.61Å; F109-V151 HydrophobicContact CD1-CG1 4.33Å; F109-V151 HydrophobicContact CE1-CG1 3.66Å; I144-V151 HydrophobicContact CG2-CB 4.22Å; I144-V151 HydrophobicContact CG2-CG1 3.84Å; S148-V151 PolarHBondContact O-N 2.91Å; V151-L153 PolarHBondContact O-N 2.69Å; V151-S154 PolarHBondContact O-N 3.35Å; V151-Y155 WeakPolarHBondContact O-CB 3.29Å; V151-Y155 PolarHBondContact O-N 3.2Å
152	G	93.5	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-49.4	172.8	0	0	0	0	0	111.8	M141 S148 G149 S154 Y155 G156	M141-G152 VanDerWaalsContact CE-O 3.32Å; M141-G152 WeakPolarHBondContact CE-O 3.33Å; S148-G152 PolarHBondContact O-N 3.49Å; G149-G152 PolarHBondContact O-N 3.49Å; G152-S154 VanDerWaalsContact C-N 3.34Å; G152-S154 PolarHBondContact O-N 2.96Å; G152-Y155 PolarHBondContact O-N 2.88Å; G152-G156 PolarHBondContact O-N 2.82Å
153	L	93.8	Very high	93.7	Very high	130 Å²	130	27.4 Å²	27.4	68%	0.681	17%	0.171	S	C	*	.	H	α-helix	trans	-58.7	-45.6	176.5	-179	64	0	0	0	112.2	G149 V151 Y155 G156 A157	G149-L153 PolarHBondContact O-N 3.25Å; V151-L153 PolarHBondContact O-N 2.69Å; L153-Y155 VanDerWaalsContact C-N 3.31Å; L153-Y155 PolarHBondContact O-N 3.43Å; L153-G156 PolarHBondContact O-N 2.86Å; L153-A157 PolarHBondContact O-N 3.11Å
154	S	94	Very high	93.9	Very high	41 Å²	41	27.6 Å²	27.6	29%	0.287	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-41.1	177.9	-56.5	0	0	0	0	111.5	A150 V151 G152 H158	A150-S154 PolarHBondContact O-N 3.45Å; A150-S154 PolarHBondContact O-OG 3.18Å; V151-S154 PolarHBondContact O-N 3.35Å; G152-S154 VanDerWaalsContact C-N 3.34Å; G152-S154 PolarHBondContact O-N 2.96Å; S154-H158 WeakPolarHBondContact O-CB 3.18Å; S154-H158 PolarHBondContact O-N 3.36Å; S154-H158 VanDerWaalsContact O-N 3.13Å
155	Y	96.4	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-44.8	177.7	167.9	-100.3	0	0	0	111.5	L113 V118 L119 H137 V140 M141 I144 V151 G152 L153 A157 H158 S159	L113-Y155 HydrophobicContact CD1-CD2 4.43Å; V118-Y155 HydrophobicContact CG2-CE2 4.47Å; V118-Y155 WeakPolarHBondContact O-CE2 3.3Å; V118-Y155 PolarHBondContact O-OH 2.67Å; L119-Y155 HydrophobicContact CD2-CD2 4.11Å; L119-Y155 HydrophobicContact CD2-CE2 4.31Å; H137-Y155 AromaticContact CD2-CE1 3.76Å; H137-Y155 AromaticContact CD2-CZ 3.87Å; H137-Y155 PolarHBondContact CD2-OH 3.32Å; H137-Y155 VanDerWaalsContact CD2-OH 3.3Å; H137-Y155 AromaticContact NE2-CE1 3.62Å; H137-Y155 AromaticContact NE2-CZ 3.78Å; V140-Y155 HydrophobicContact CB-CE1 4.5Å; V140-Y155 HydrophobicContact CG1-CE1 3.96Å; V140-Y155 HydrophobicContact CG1-CE2 4.34Å; V140-Y155 WeakPolarHBondContact CG1-OH 3.32Å; M141-Y155 HydrophobicContact CB-CD1 4.45Å; M141-Y155 HydrophobicContact CB-CE1 4.18Å; M141-Y155 HydrophobicContact SD-CD1 3.83Å; M141-Y155 HydrophobicContact SD-CE1 4.46Å; I144-Y155 HydrophobicContact CD1-CD1 3.75Å; I144-Y155 HydrophobicContact CD1-CD2 3.81Å; I144-Y155 HydrophobicContact CD1-CE1 4.04Å; I144-Y155 HydrophobicContact CD1-CE2 4.1Å; I144-Y155 HydrophobicContact CD1-CG 3.61Å; V151-Y155 WeakPolarHBondContact O-CB 3.29Å; V151-Y155 PolarHBondContact O-N 3.2Å; G152-Y155 PolarHBondContact O-N 2.88Å; L153-Y155 VanDerWaalsContact C-N 3.31Å; L153-Y155 PolarHBondContact O-N 3.43Å; Y155-A157 PolarHBondContact O-N 3.33Å; Y155-H158 PolarHBondContact O-N 3.15Å; Y155-S159 WeakPolarHBondContact O-CB 3.43Å; Y155-S159 PolarHBondContact O-N 3.19Å; Y155-S159 PolarHBondContact O-OG 3.22Å
156	G	96	Very high	94.2	Very high	15 Å²	15	31.5 Å²	31.5	16%	0.155	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-40.9	177.2	0	0	0	0	0	112.7	G152 L153 H158 N160 L161	G152-G156 PolarHBondContact O-N 2.82Å; L153-G156 PolarHBondContact O-N 2.86Å; G156-H158 VanDerWaalsContact C-N 3.32Å; G156-H158 PolarHBondContact O-N 3.21Å; G156-N160 VanDerWaalsContact O-CB 3.27Å; G156-N160 WeakPolarHBondContact O-CB 3.38Å; G156-N160 PolarHBondContact O-N 2.94Å; G156-L161 PolarHBondContact O-N 3.22Å
157	A	94.9	Very high	94.5	Very high	28 Å²	28	29.6 Å²	29.6	23%	0.231	18%	0.183	C	C	.	.	I	π-helix	trans	-62.4	-40.4	175.1	0	0	0	0	0	112.2	L153 Y155 L161 C162	L153-A157 PolarHBondContact O-N 3.11Å; Y155-A157 PolarHBondContact O-N 3.33Å; A157-L161 HydrophobicContact CB-CD1 4.29Å; A157-L161 CarbonylContact O-C 3.57Å; A157-L161 WeakPolarHBondContact O-CA 3.33Å; A157-L161 VanDerWaalsContact O-CB 3.28Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 PolarHBondContact O-N 2.74Å; A157-C162 PolarHBondContact O-N 3.13Å
158	H	97.3	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-73.8	-58.2	-179.4	-179	88.2	0	0	0	113.1	W110 S154 Y155 G156 C162 I163 L182 Y187 G189	W110-H158 AromaticContact CE2-CG 3.89Å; W110-H158 HydrophobicContact CH2-CB 4.5Å; W110-H158 HydrophobicContact CZ2-CB 3.53Å; W110-H158 AromaticContact CZ2-CG 3.62Å; W110-H158 AromaticContact NE1-CD2 3.6Å; W110-H158 AromaticContact NE1-CE1 3.3Å; W110-H158 PolarHBondContact NE1-CE1 2.81Å; W110-H158 VanDerWaalsContact NE1-CE1 3.3Å; W110-H158 AromaticContact NE1-CG 3.56Å; W110-H158 AromaticContact NE1-ND1 3.35Å; W110-H158 PolarHBondContact NE1-ND1 3.27Å; W110-H158 AromaticContact NE1-NE2 3.42Å; W110-H158 PolarHBondContact NE1-NE2 2.91Å; S154-H158 WeakPolarHBondContact O-CB 3.18Å; S154-H158 PolarHBondContact O-N 3.36Å; S154-H158 VanDerWaalsContact O-N 3.13Å; Y155-H158 PolarHBondContact O-N 3.15Å; G156-H158 VanDerWaalsContact C-N 3.32Å; G156-H158 PolarHBondContact O-N 3.21Å; H158-C162 WeakPolarHBondContact O-CB 3.49Å; H158-I163 WeakPolarHBondContact NE2-CD1 3.39Å; H158-I163 PolarHBondContact O-N 3.06Å; H158-L182 PolarHBondContact NE2-O 3.09Å; H158-L182 VanDerWaalsContact NE2-O 3.14Å; H158-Y187 PolarHBondContact CE1-O 2.83Å; H158-G189 PolarHBondContact CE1-N 3.19Å; H158-G189 PolarHBondContact ND1-N 3.06Å
159	S	96.2	Very high	95.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	24%	0.237	C	C	.	.	I	π-helix	trans	-73.1	-36.1	-172.1	57.2	0	0	0	0	112.7	L119 H137 Y155 I163 N164	L119-S159 WeakPolarHBondContact O-CB 3.44Å; H137-S159 PolarHBondContact CE1-OG 2.98Å; H137-S159 PolarHBondContact NE2-OG 2.95Å; Y155-S159 WeakPolarHBondContact O-CB 3.43Å; Y155-S159 PolarHBondContact O-N 3.19Å; Y155-S159 PolarHBondContact O-OG 3.22Å; S159-I163 WeakPolarHBondContact O-CB 3.14Å; S159-N164 PolarHBondContact O-N 3Å
160	N	96.1	Very high	95.6	Very high	60 Å²	60	40.9 Å²	40.9	32%	0.321	22%	0.224	S	C	.	.	I	π-helix	trans	-99	-59.4	179.2	-161.1	18.2	0	0	0	112.2	G156 C162 N164	G156-N160 VanDerWaalsContact O-CB 3.27Å; G156-N160 WeakPolarHBondContact O-CB 3.38Å; G156-N160 PolarHBondContact O-N 2.94Å; N160-C162 VanDerWaalsContact C-N 3.28Å; N160-C162 PolarHBondContact O-N 3.38Å; N160-N164 VanDerWaalsContact O-CB 3.3Å; N160-N164 WeakPolarHBondContact O-CB 3.24Å; N160-N164 PolarHBondContact O-N 3.17Å; N160-N164 PolarHBondContact OD1-ND2 2.96Å
161	L	95.4	Very high	96	Very high	75 Å²	75	42.8 Å²	42.8	39%	0.393	23%	0.229	S	C	.	.	I	π-helix	trans	-68.3	-29.9	-170.7	-56.1	-179.6	0	0	0	112.5	G156 A157 Q165 L191	G156-L161 PolarHBondContact O-N 3.22Å; A157-L161 HydrophobicContact CB-CD1 4.29Å; A157-L161 CarbonylContact O-C 3.57Å; A157-L161 WeakPolarHBondContact O-CA 3.33Å; A157-L161 VanDerWaalsContact O-CB 3.28Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 PolarHBondContact O-N 2.74Å; L161-Q165 WeakPolarHBondContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CG 3.36Å; L161-L191 HydrophobicContact CB-CB 3.68Å; L161-L191 HydrophobicContact CB-CD1 4.14Å; L161-L191 HydrophobicContact CB-CG 4.42Å; L161-L191 VanDerWaalsContact O-CD1 3.3Å; L161-L191 WeakPolarHBondContact O-CD1 3.47Å
162	C	97.4	Very high	96.4	Very high	19 Å²	19	47.3 Å²	47.3	13%	0.128	25%	0.249	C	C	.	.	I	π-helix	trans	-98.3	-65.5	177	-170.3	0	0	0	0	112.9	A157 H158 N160 Q165 L166 G189	A157-C162 PolarHBondContact O-N 3.13Å; H158-C162 WeakPolarHBondContact O-CB 3.49Å; N160-C162 VanDerWaalsContact C-N 3.28Å; N160-C162 PolarHBondContact O-N 3.38Å; C162-Q165 PolarHBondContact O-N 3.3Å; C162-L166 PolarHBondContact O-N 3.42Å; C162-G189 WeakPolarHBondContact SG-CA 3.26Å
163	I	97.4	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-61.7	-51.8	-171.8	-70.1	172.9	0	0	0	111.5	L119 A123 H158 S159 Q165 L166 V167 L179 L182 I183	L119-I163 VanDerWaalsContact O-CD1 3.31Å; L119-I163 WeakPolarHBondContact O-CD1 3.32Å; A123-I163 HydrophobicContact CB-CG2 3.97Å; H158-I163 WeakPolarHBondContact NE2-CD1 3.39Å; H158-I163 PolarHBondContact O-N 3.06Å; S159-I163 WeakPolarHBondContact O-CB 3.14Å; I163-Q165 VanDerWaalsContact C-N 3.29Å; I163-Q165 PolarHBondContact O-N 3.08Å; I163-L166 WeakPolarHBondContact O-CB 3.45Å; I163-L166 PolarHBondContact O-N 3.04Å; I163-L166 VanDerWaalsContact O-N 3.12Å; I163-V167 HydrophobicContact CG2-CG2 4.32Å; I163-V167 WeakPolarHBondContact O-CG2 3.38Å; I163-V167 PolarHBondContact O-N 2.85Å; I163-L179 HydrophobicContact CG2-CD2 4.16Å; I163-L182 HydrophobicContact CD1-CB 3.92Å; I163-L182 HydrophobicContact CG1-CB 3.84Å; I163-L182 HydrophobicContact CG1-CD1 4.2Å; I163-I183 HydrophobicContact CD1-CG1 4.45Å
164	N	96.7	Very high	96.7	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.064	26%	0.263	C	S	.	.	I	π-helix	trans	-63	-34.8	-178.9	178.8	31.2	0	0	0	112	Y134 S159 N160 V167 R168	Y134-N164 WeakPolarHBondContact CE1-ND2 3.37Å; Y134-N164 PolarHBondContact OH-ND2 3.18Å; Y134-N164 PolarHBondContact OH-OD1 3.16Å; S159-N164 PolarHBondContact O-N 3Å; N160-N164 VanDerWaalsContact O-CB 3.3Å; N160-N164 WeakPolarHBondContact O-CB 3.24Å; N160-N164 PolarHBondContact O-N 3.17Å; N160-N164 PolarHBondContact OD1-ND2 2.96Å; N164-V167 PolarHBondContact O-N 2.83Å; N164-R168 WeakPolarHBondContact O-CB 3.35Å; N164-R168 WeakPolarHBondContact O-CG 3.3Å; N164-R168 PolarHBondContact O-N 2.79Å; N164-R168 WeakPolarHBondContact OD1-CD 3.49Å
165	Q	96.9	Very high	96.9	Very high	81 Å²	81	47.9 Å²	47.9	38%	0.379	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-37.6	174	-67.3	-61.2	-22.1	0	0	112.9	L161 C162 I163 N169 L191	L161-Q165 WeakPolarHBondContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CG 3.36Å; C162-Q165 PolarHBondContact O-N 3.3Å; I163-Q165 VanDerWaalsContact C-N 3.29Å; I163-Q165 PolarHBondContact O-N 3.08Å; Q165-N169 WeakPolarHBondContact O-CB 3.28Å; Q165-N169 PolarHBondContact O-N 2.79Å; Q165-N169 PolarHBondContact O-ND2 2.92Å; Q165-N169 PolarHBondContact OE1-ND2 2.69Å; Q165-L191 HydrophobicContact CG-CD1 4.29Å
166	L	97.6	Very high	97	Very high	42 Å²	42	54.2 Å²	54.2	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-41.4	174	-78.8	171.5	0	0	0	112.2	C162 I163 R168 G170 L179 L182	C162-L166 PolarHBondContact O-N 3.42Å; I163-L166 WeakPolarHBondContact O-CB 3.45Å; I163-L166 PolarHBondContact O-N 3.04Å; I163-L166 VanDerWaalsContact O-N 3.12Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 2.64Å; L166-G170 WeakPolarHBondContact O-CA 3.43Å; L166-G170 PolarHBondContact O-N 2.88Å; L166-L179 HydrophobicContact CB-CD2 3.91Å; L166-L179 HydrophobicContact CD1-CD2 4.41Å; L166-L182 HydrophobicContact CD1-CD1 3.47Å; L166-L182 VanDerWaalsContact CD1-CD1 3.47Å
167	V	96.9	Very high	97	Very high	27 Å²	27	59.9 Å²	59.9	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-44.3	176.4	170.4	0	0	0	0	110.7	A123 P124 I163 N164 K175 L179	A123-V167 HydrophobicContact CB-CG2 4.08Å; P124-V167 HydrophobicContact CG-CG1 4.02Å; I163-V167 HydrophobicContact CG2-CG2 4.32Å; I163-V167 WeakPolarHBondContact O-CG2 3.38Å; I163-V167 PolarHBondContact O-N 2.85Å; N164-V167 PolarHBondContact O-N 2.83Å; V167-K175 WeakPolarHBondContact O-CE 3.33Å; V167-L179 HydrophobicContact CG2-CD1 3.84Å; V167-L179 HydrophobicContact CG2-CD2 3.94Å
168	R	96.7	Very high	97.2	Very high	157 Å²	157	62.8 Å²	62.8	59%	0.592	31%	0.312	S	S	*	.	H	α-helix	trans	-76.6	-40	-174.7	-69	173.1	69.4	108.6	4.8	113.6	Y134 N164 L166	Y134-R168 PolarHBondContact OH-NH1 3.1Å; N164-R168 WeakPolarHBondContact O-CB 3.35Å; N164-R168 WeakPolarHBondContact O-CG 3.3Å; N164-R168 PolarHBondContact O-N 2.79Å; N164-R168 WeakPolarHBondContact OD1-CD 3.49Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 2.64Å
169	N	97.7	Very high	97.2	Very high	115 Å²	115	62.8 Å²	62.8	62%	0.615	31%	0.312	S	S	*	.	H	α-helix	trans	-116.9	-10.1	-169.2	-48.5	-69.2	0	0	0	114	Q165	Q165-N169 WeakPolarHBondContact O-CB 3.28Å; Q165-N169 PolarHBondContact O-N 2.79Å; Q165-N169 PolarHBondContact O-ND2 2.92Å; Q165-N169 PolarHBondContact OE1-ND2 2.69Å
170	G	97.1	Very high	97.3	Very high	10 Å²	10	65.4 Å²	65.4	10%	0.103	33%	0.329	C	S	.	.			trans	-75.1	146.8	179.7	0	0	0	0	0	112.6	L166 K175	L166-G170 WeakPolarHBondContact O-CA 3.43Å; L166-G170 PolarHBondContact O-N 2.88Å; G170-K175 WeakPolarHBondContact O-CE 3.32Å; G170-K175 PolarHBondContact O-NZ 3.32Å
171	N	98	Very high	97.3	Very high	84 Å²	84	66.4 Å²	66.4	45%	0.449	33%	0.33	S	S	.	.			trans	-76.1	166.2	166.1	67.5	50	0	0	0	111.1	A173 Q174 K175	N171-A173 VanDerWaalsContact C-N 3.35Å; N171-A173 PolarHBondContact O-N 3.38Å; N171-A173 PolarHBondContact OD1-N 3.27Å; N171-Q174 VanDerWaalsContact ND2-CD 3.25Å; N171-Q174 PolarHBondContact ND2-OE1 3Å; N171-Q174 WeakPolarHBondContact O-CB 3.47Å; N171-Q174 PolarHBondContact O-N 3Å; N171-Q174 VanDerWaalsContact O-N 3.15Å; N171-Q174 VanDerWaalsContact OD1-CG 3.32Å; N171-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N171-Q174 PolarHBondContact OD1-N 3.41Å; N171-K175 WeakPolarHBondContact O-CG 3.4Å; N171-K175 PolarHBondContact O-N 3.42Å
172	E	97.7	Very high	97.4	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-58.6	-43.3	-175.9	-67.6	-53.6	121.7	0	0	113	Y127 Q174 K175 E176	Y127-E172 PolarHBondContact OH-OE2 3.1Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 2.97Å; E172-K175 PolarHBondContact O-N 3.01Å; E172-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 IonicContact OE1-NZ 2.97Å; E172-K175 PolarHBondContact OE1-NZ 3.47Å; E172-E176 WeakPolarHBondContact O-CG 3.21Å; E172-E176 PolarHBondContact O-N 2.98Å
173	A	98	Very high	97.4	Very high	72 Å²	72	62.8 Å²	62.8	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-62.3	-36.6	178.2	0	0	0	0	0	112.8	N171 K177	N171-A173 VanDerWaalsContact C-N 3.35Å; N171-A173 PolarHBondContact O-N 3.38Å; N171-A173 PolarHBondContact OD1-N 3.27Å; A173-K177 WeakPolarHBondContact O-CB 3.38Å; A173-K177 PolarHBondContact O-N 2.68Å
174	Q	97.4	Very high	97.3	Very high	81 Å²	81	64.5 Å²	64.5	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-44.7	174.1	-71.9	165.8	-22	0	0	111	N171 E172 K177 Y178	N171-Q174 VanDerWaalsContact ND2-CD 3.25Å; N171-Q174 PolarHBondContact ND2-OE1 3Å; N171-Q174 WeakPolarHBondContact O-CB 3.47Å; N171-Q174 PolarHBondContact O-N 3Å; N171-Q174 VanDerWaalsContact O-N 3.15Å; N171-Q174 VanDerWaalsContact OD1-CG 3.32Å; N171-Q174 WeakPolarHBondContact OD1-CG 3.44Å; N171-Q174 PolarHBondContact OD1-N 3.41Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 2.97Å; Q174-K177 PolarHBondContact O-N 3.45Å; Q174-Y178 HydrophobicContact CB-CD2 4.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.21Å; Q174-Y178 PolarHBondContact O-N 3.44Å
175	K	97.8	Very high	97.2	Very high	31 Å²	31	63.9 Å²	63.9	14%	0.135	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-50.9	-180	-72.9	171.1	178.3	149.2	0	111.5	Y127 V167 G170 N171 E172 K177 Y178 L179	Y127-K175 HydrophobicContact CE1-CB 3.96Å; Y127-K175 HydrophobicContact CE2-CB 4.12Å; Y127-K175 HydrophobicContact CE2-CD 4.12Å; Y127-K175 WeakPolarHBondContact OH-CD 3.31Å; V167-K175 WeakPolarHBondContact O-CE 3.33Å; G170-K175 WeakPolarHBondContact O-CE 3.32Å; G170-K175 PolarHBondContact O-NZ 3.32Å; N171-K175 WeakPolarHBondContact O-CG 3.4Å; N171-K175 PolarHBondContact O-N 3.42Å; E172-K175 PolarHBondContact O-N 3.01Å; E172-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 IonicContact OE1-NZ 2.97Å; E172-K175 PolarHBondContact OE1-NZ 3.47Å; K175-K177 VanDerWaalsContact C-N 3.28Å; K175-K177 PolarHBondContact O-N 3.09Å; K175-Y178 PolarHBondContact O-N 3.36Å; K175-L179 HydrophobicContact CB-CD1 3.71Å; K175-L179 HydrophobicContact CB-CG 4.29Å; K175-L179 HydrophobicContact CG-CD1 3.85Å; K175-L179 VanDerWaalsContact O-CB 3.22Å; K175-L179 WeakPolarHBondContact O-CB 3.43Å; K175-L179 WeakPolarHBondContact O-CG 3.34Å; K175-L179 PolarHBondContact O-N 2.87Å
176	E	97.4	Very high	97	Very high	133 Å²	133	65.3 Å²	65.3	62%	0.621	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-37.8	178	-72.2	-172.7	172.3	0	0	112.5	Y127 E172 P180	Y127-E176 HydrophobicContact CE1-CG 3.95Å; E172-E176 WeakPolarHBondContact O-CG 3.21Å; E172-E176 PolarHBondContact O-N 2.98Å; E176-P180 WeakPolarHBondContact O-CD 3.35Å
177	K	97.4	Very high	96.9	Very high	134 Å²	134	68.3 Å²	68.3	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-71.5	-40.7	-179	-176.9	178.1	178.5	-171	0	113.3	A173 Q174 K175	A173-K177 WeakPolarHBondContact O-CB 3.38Å; A173-K177 PolarHBondContact O-N 2.68Å; Q174-K177 PolarHBondContact O-N 3.45Å; K175-K177 VanDerWaalsContact C-N 3.28Å; K175-K177 PolarHBondContact O-N 3.09Å
178	Y	97.8	Very high	96.8	Very high	89 Å²	89	69.8 Å²	69.8	35%	0.349	34%	0.341	S	S	.	.	H	α-helix	trans	-106.8	-39.2	-167.3	-63.1	-66.4	0	0	0	114.1	Q174 K175 K181 L182	Q174-Y178 HydrophobicContact CB-CD2 4.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.21Å; Q174-Y178 PolarHBondContact O-N 3.44Å; K175-Y178 PolarHBondContact O-N 3.36Å; Y178-K181 PolarHBondContact O-N 3.22Å; Y178-L182 WeakPolarHBondContact O-CG 3.24Å; Y178-L182 PolarHBondContact O-N 2.58Å; Y178-L182 VanDerWaalsContact O-N 3.15Å
179	L	97.4	Very high	96.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-46.6	-172	-67.2	178.2	0	0	0	113.1	Y127 I163 L166 V167 K175 K181 L182 I183	Y127-L179 HydrophobicContact CD1-CD1 4.48Å; Y127-L179 HydrophobicContact CD2-CD1 3.42Å; Y127-L179 VanDerWaalsContact CD2-CD1 3.42Å; Y127-L179 HydrophobicContact CE2-CD1 3.78Å; Y127-L179 HydrophobicContact CG-CB 4.22Å; Y127-L179 HydrophobicContact CG-CD1 3.8Å; I163-L179 HydrophobicContact CG2-CD2 4.16Å; L166-L179 HydrophobicContact CB-CD2 3.91Å; L166-L179 HydrophobicContact CD1-CD2 4.41Å; V167-L179 HydrophobicContact CG2-CD1 3.84Å; V167-L179 HydrophobicContact CG2-CD2 3.94Å; K175-L179 HydrophobicContact CB-CD1 3.71Å; K175-L179 HydrophobicContact CB-CG 4.29Å; K175-L179 HydrophobicContact CG-CD1 3.85Å; K175-L179 VanDerWaalsContact O-CB 3.22Å; K175-L179 WeakPolarHBondContact O-CB 3.43Å; K175-L179 WeakPolarHBondContact O-CG 3.34Å; K175-L179 PolarHBondContact O-N 2.87Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.81Å; L179-L182 PolarHBondContact O-N 2.74Å; L179-L182 VanDerWaalsContact O-N 3.13Å; L179-I183 HydrophobicContact CB-CD1 4.03Å; L179-I183 WeakPolarHBondContact O-CB 3.47Å; L179-I183 WeakPolarHBondContact O-CD1 3.16Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 2.84Å
180	P	97.7	Very high	96.4	Very high	56 Å²	56	61 Å²	61	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-57.6	-40	-176.7	-27.4	36.7	0	0	0	113.4	E176 S184	E176-P180 WeakPolarHBondContact O-CD 3.35Å; P180-S184 WeakPolarHBondContact O-CB 3.21Å; P180-S184 PolarHBondContact O-N 3.29Å; P180-S184 PolarHBondContact O-OG 2.63Å
181	K	96.9	Very high	96.2	Very high	81 Å²	81	63.8 Å²	63.8	35%	0.352	33%	0.33	S	S	.	.	H	α-helix	trans	-76.5	-30.6	179.6	-65.7	-174.1	179.5	-177.5	0	113.7	Y178 L179 S184 G185 E186 Y187	Y178-K181 PolarHBondContact O-N 3.22Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.81Å; K181-S184 PolarHBondContact O-OG 2.77Å; K181-G185 PolarHBondContact O-N 2.82Å; K181-E186 HydrophobicContact CB-CB 4.37Å; K181-E186 PolarHBondContact O-N 3.24Å; K181-E186 VanDerWaalsContact O-N 3.08Å; K181-Y187 HydrophobicContact CB-CD1 4.34Å; K181-Y187 HydrophobicContact CB-CD2 3.7Å; K181-Y187 HydrophobicContact CB-CE2 4.06Å; K181-Y187 HydrophobicContact CB-CG 3.86Å; K181-Y187 HydrophobicContact CD-CD1 4.48Å; K181-Y187 HydrophobicContact CD-CD2 4.12Å; K181-Y187 HydrophobicContact CD-CE1 4.01Å; K181-Y187 HydrophobicContact CD-CE2 3.59Å; K181-Y187 HydrophobicContact CG-CE2 4.48Å; K181-Y187 PolarHBondContact NZ-OH 3.4Å; K181-Y187 PolarHBondContact O-N 3.34Å
182	L	96.9	Very high	96	Very high	9 Å²	9	64.8 Å²	64.8	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-69.6	-43.1	172.6	-73.6	167.7	0	0	0	110.1	H158 I163 L166 Y178 L179 G185	H158-L182 PolarHBondContact NE2-O 3.09Å; H158-L182 VanDerWaalsContact NE2-O 3.14Å; I163-L182 HydrophobicContact CD1-CB 3.92Å; I163-L182 HydrophobicContact CG1-CB 3.84Å; I163-L182 HydrophobicContact CG1-CD1 4.2Å; L166-L182 HydrophobicContact CD1-CD1 3.47Å; L166-L182 VanDerWaalsContact CD1-CD1 3.47Å; Y178-L182 WeakPolarHBondContact O-CG 3.24Å; Y178-L182 PolarHBondContact O-N 2.58Å; Y178-L182 VanDerWaalsContact O-N 3.15Å; L179-L182 PolarHBondContact O-N 2.74Å; L179-L182 VanDerWaalsContact O-N 3.13Å; L182-G185 PolarHBondContact O-N 2.86Å
183	I	97.4	Very high	95.7	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-69.2	-39	-178.7	-64.1	164.3	0	0	0	111.5	G114 A123 Y127 G128 I163 L179 G185	G114-I183 VanDerWaalsContact CA-O 3.31Å; G114-I183 WeakPolarHBondContact CA-O 3.34Å; A123-I183 HydrophobicContact CB-CD1 3.79Å; A123-I183 HydrophobicContact CB-CG1 4.35Å; Y127-I183 WeakPolarHBondContact O-CD1 3.37Å; G128-I183 VanDerWaalsContact O-CG2 3.25Å; G128-I183 WeakPolarHBondContact O-CG2 3.4Å; I163-I183 HydrophobicContact CD1-CG1 4.45Å; L179-I183 HydrophobicContact CB-CD1 4.03Å; L179-I183 WeakPolarHBondContact O-CB 3.47Å; L179-I183 WeakPolarHBondContact O-CD1 3.16Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 2.84Å; I183-G185 PolarHBondContact O-N 2.7Å
184	S	96	Very high	95.3	Very high	36 Å²	36	65.5 Å²	65.5	25%	0.252	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.4	174.6	70.7	0	0	0	0	113.5	P180 K181 E186	P180-S184 WeakPolarHBondContact O-CB 3.21Å; P180-S184 PolarHBondContact O-N 3.29Å; P180-S184 PolarHBondContact O-OG 2.63Å; K181-S184 PolarHBondContact O-OG 2.77Å; S184-E186 VanDerWaalsContact C-N 3.31Å; S184-E186 WeakPolarHBondContact OG-CG 3.17Å; S184-E186 PolarHBondContact OG-N 3.01Å; S184-E186 PolarHBondContact OG-OE1 2.98Å
185	G	94.4	Very high	95.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	11	-175.3	0	0	0	0	0	114.2	K181 L182 I183 Y187	K181-G185 PolarHBondContact O-N 2.82Å; L182-G185 PolarHBondContact O-N 2.86Å; I183-G185 PolarHBondContact O-N 2.7Å; G185-Y187 VanDerWaalsContact C-N 3.33Å
186	E	93.4	Very high	94.8	Very high	111 Å²	111	68.8 Å²	68.8	52%	0.519	38%	0.38	S	S	.	.	S	Bend	trans	-66.3	-37.3	169.5	-75.3	170.3	-117.6	0	0	111.9	K181 S184	K181-E186 HydrophobicContact CB-CB 4.37Å; K181-E186 PolarHBondContact O-N 3.24Å; K181-E186 VanDerWaalsContact O-N 3.08Å; S184-E186 VanDerWaalsContact C-N 3.31Å; S184-E186 WeakPolarHBondContact OG-CG 3.17Å; S184-E186 PolarHBondContact OG-N 3.01Å; S184-E186 PolarHBondContact OG-OE1 2.98Å
187	Y	94.4	Very high	94.5	Very high	105 Å²	105	69.3 Å²	69.3	41%	0.412	39%	0.387	S	S	.	.	S	Bend	trans	-104.4	149.5	174.1	-74.1	-2.8	0	0	0	111	H158 K181 G185	H158-Y187 PolarHBondContact CE1-O 2.83Å; K181-Y187 HydrophobicContact CB-CD1 4.34Å; K181-Y187 HydrophobicContact CB-CD2 3.7Å; K181-Y187 HydrophobicContact CB-CE2 4.06Å; K181-Y187 HydrophobicContact CB-CG 3.86Å; K181-Y187 HydrophobicContact CD-CD1 4.48Å; K181-Y187 HydrophobicContact CD-CD2 4.12Å; K181-Y187 HydrophobicContact CD-CE1 4.01Å; K181-Y187 HydrophobicContact CD-CE2 3.59Å; K181-Y187 HydrophobicContact CG-CE2 4.48Å; K181-Y187 PolarHBondContact NZ-OH 3.4Å; K181-Y187 PolarHBondContact O-N 3.34Å; G185-Y187 VanDerWaalsContact C-N 3.33Å
188	I	94.3	Very high	94.1	Very high	58 Å²	58	63 Å²	63	30%	0.297	36%	0.36	S	S	.	.			trans	-112	113.1	169.6	-62.4	161.7	0	0	0	107.6	F106 L107 W110	F106-I188 HydrophobicContact CD1-CD1 3.76Å; F106-I188 HydrophobicContact CE1-CD1 3.61Å; F106-I188 HydrophobicContact CE1-CG1 4.4Å; L107-I188 HydrophobicContact CD2-CD1 3.5Å; L107-I188 HydrophobicContact CD2-CG1 4.18Å; W110-I188 HydrophobicContact CG-CG1 4.3Å
189	G	92.7	Very high	93.8	Very high	8 Å²	8	61.1 Å²	61.1	8%	0.082	37%	0.368	C	S	.	.			trans	-78	150.8	171	0	0	0	0	0	113.7	H158 C162	H158-G189 PolarHBondContact CE1-N 3.19Å; H158-G189 PolarHBondContact ND1-N 3.06Å; C162-G189 WeakPolarHBondContact SG-CA 3.26Å
190	A	93.6	Very high	93.6	Very high	78 Å²	78	67.7 Å²	67.7	65%	0.645	41%	0.414	S	S	*	.			trans	-144.3	165.2	171.4	0	0	0	0	0	109.4
191	L	93.4	Very high	93.3	Very high	70 Å²	70	69.5 Å²	69.5	37%	0.366	42%	0.42	S	S	.	.			trans	-124	125.8	172.7	179.1	144.5	0	0	0	108.8	L161 Q165 M193	L161-L191 HydrophobicContact CB-CB 3.68Å; L161-L191 HydrophobicContact CB-CD1 4.14Å; L161-L191 HydrophobicContact CB-CG 4.42Å; L161-L191 VanDerWaalsContact O-CD1 3.3Å; L161-L191 WeakPolarHBondContact O-CD1 3.47Å; Q165-L191 HydrophobicContact CG-CD1 4.29Å; L191-M193 HydrophobicContact CD2-CB 3.88Å; L191-M193 HydrophobicContact CD2-CE 3.76Å
192	A	93.4	Very high	93	Very high	105 Å²	105	67.5 Å²	67.5	87%	0.868	42%	0.415	S	S	*	.			trans	-109.2	120	177.2	0	0	0	0	0	108.8
193	M	91.8	Very high	92.8	Very high	87 Å²	87	73.1 Å²	73.1	43%	0.429	45%	0.449	S	S	.	.			trans	-145	-41.5	178.9	-157.1	-167	-49	0	0	111.5	L191 V202 M205	L191-M193 HydrophobicContact CD2-CB 3.88Å; L191-M193 HydrophobicContact CD2-CE 3.76Å; M193-V202 HydrophobicContact CB-CG2 4.17Å; M193-V202 HydrophobicContact CG-CG2 3.37Å; M193-V202 HydrophobicContact SD-CB 4.28Å; M193-V202 HydrophobicContact SD-CG1 4.03Å; M193-V202 HydrophobicContact SD-CG2 3.35Å; M193-V202 WeakPolarHBondContact SD-CG2 3.17Å; M193-M205 HydrophobicContact CG-CE 3.73Å
194	S	90.6	Very high	92.6	Very high	95 Å²	95	75.3 Å²	75.3	66%	0.664	47%	0.465	S	S	*	.			trans	-72.6	139.7	177.6	-52.3	0	0	0	0	112.3	A198	S194-A198 VanDerWaalsContact CA-O 3.32Å; S194-A198 WeakPolarHBondContact CA-O 3.49Å
195	E	92.3	Very high	92.5	Very high	47 Å²	47	77.7 Å²	77.7	22%	0.22	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-119.5	165.8	174.6	-62.4	-175.7	177	0	0	110.3	N197 A198 M205 K206 L207	E195-N197 PolarHBondContact O-N 2.79Å; E195-A198 HydrophobicContact CB-CB 4.07Å; E195-A198 PolarHBondContact N-O 3.33Å; E195-A198 CarbonylContact O-C 3.55Å; E195-A198 PolarHBondContact O-N 3.26Å; E195-M205 HydrophobicContact CG-CB 4.4Å; E195-M205 WeakPolarHBondContact OE1-CB 3.48Å; E195-K206 VanDerWaalsContact CD-N 3.28Å; E195-K206 PolarHBondContact OE1-N 3.01Å; E195-K206 PolarHBondContact OE2-N 3.27Å; E195-L207 VanDerWaalsContact OE1-CB 3.26Å; E195-L207 WeakPolarHBondContact OE1-CB 3.35Å; E195-L207 PolarHBondContact OE1-N 3.25Å
196	P	92.6	Very high	92.5	Very high	134 Å²	134	85.5 Å²	85.5	87%	0.87	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-28.5	178.3	-29.8	36.6	0	0	0	114.9
197	N	91.3	Very high	92.6	Very high	145 Å²	145	86.8 Å²	86.8	78%	0.775	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	5	179.5	-60.6	-54.9	0	0	0	113.7	E195	E195-N197 PolarHBondContact O-N 2.79Å
198	A	89	Confident	92.7	Very high	1 Å²	1	89.3 Å²	89.3	1%	0.008	53%	0.53	C	S	.	.	B	Isolated β-bridge	trans	-136.9	87.4	-176.6	0	0	0	0	0	110.2	S194 E195 D201	S194-A198 VanDerWaalsContact CA-O 3.32Å; S194-A198 WeakPolarHBondContact CA-O 3.49Å; E195-A198 HydrophobicContact CB-CB 4.07Å; E195-A198 PolarHBondContact N-O 3.33Å; E195-A198 CarbonylContact O-C 3.55Å; E195-A198 PolarHBondContact O-N 3.26Å; A198-D201 WeakPolarHBondContact CB-O 3.32Å
199	G	91.3	Very high	92.7	Very high	50 Å²	50	91.1 Å²	91.1	52%	0.515	55%	0.553	S	S	.	*	S	Bend	trans	-106.6	-81.4	176.7	0	0	0	0	0	111.4
200	S	91.6	Very high	92.9	Very high	137 Å²	137	98 Å²	98	96%	0.958	58%	0.584	S	S	*	*	S	Bend	trans	-67.1	-41	176	-55.2	0	0	0	0	112.5	V202	S200-V202 PolarHBondContact O-N 3.21Å
201	D	92.9	Very high	92.7	Very high	95 Å²	95	107.6 Å²	107.6	51%	0.508	61%	0.611	S	S	.	*	S	Bend	trans	-91.1	77.1	170.2	179.7	23.8	0	0	0	109.5	A198 V203 S204	A198-D201 WeakPolarHBondContact CB-O 3.32Å; D201-V203 PolarHBondContact O-N 2.92Å; D201-S204 PolarHBondContact O-OG 3.06Å; D201-S204 WeakPolarHBondContact OD2-CB 3.47Å; D201-S204 PolarHBondContact OD2-OG 2.96Å
202	V	88.9	Confident	92.7	Very high	38 Å²	38	109.5 Å²	109.5	23%	0.23	62%	0.623	C	S	.	*	G	3₁₀ helix	trans	-73.4	-18.9	-176.2	74.6	0	0	0	0	113.1	M193 S200 S204 M205	M193-V202 HydrophobicContact CB-CG2 4.17Å; M193-V202 HydrophobicContact CG-CG2 3.37Å; M193-V202 HydrophobicContact SD-CB 4.28Å; M193-V202 HydrophobicContact SD-CG1 4.03Å; M193-V202 HydrophobicContact SD-CG2 3.35Å; M193-V202 WeakPolarHBondContact SD-CG2 3.17Å; S200-V202 PolarHBondContact O-N 3.21Å; V202-S204 VanDerWaalsContact C-N 3.28Å; V202-S204 PolarHBondContact O-N 3.1Å; V202-M205 HydrophobicContact CG2-CE 4.1Å; V202-M205 WeakPolarHBondContact O-CE 2.73Å; V202-M205 PolarHBondContact O-N 2.85Å
203	V	93	Very high	92.7	Very high	128 Å²	128	109.7 Å²	109.7	78%	0.776	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-74.3	-21.9	-177.8	-177.2	0	0	0	0	111.3	D201 M205	D201-V203 PolarHBondContact O-N 2.92Å; V203-M205 PolarHBondContact O-N 3.11Å
204	S	93.5	Very high	92.7	Very high	53 Å²	53	110.9 Å²	110.9	37%	0.371	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-82.7	18.5	174.8	61.3	0	0	0	0	114.8	D201 V202	D201-S204 PolarHBondContact O-OG 3.06Å; D201-S204 WeakPolarHBondContact OD2-CB 3.47Å; D201-S204 PolarHBondContact OD2-OG 2.96Å; V202-S204 VanDerWaalsContact C-N 3.28Å; V202-S204 PolarHBondContact O-N 3.1Å
205	M	94.6	Very high	92.8	Very high	86 Å²	86	111.9 Å²	111.9	42%	0.424	62%	0.617	S	S	.	*			trans	-55.4	144.1	173.9	69.8	175.5	69.1	0	0	112.3	M193 E195 V202 V203	M193-M205 HydrophobicContact CG-CE 3.73Å; E195-M205 HydrophobicContact CG-CB 4.4Å; E195-M205 WeakPolarHBondContact OE1-CB 3.48Å; V202-M205 HydrophobicContact CG2-CE 4.1Å; V202-M205 WeakPolarHBondContact O-CE 2.73Å; V202-M205 PolarHBondContact O-N 2.85Å; V203-M205 PolarHBondContact O-N 3.11Å
206	K	94.6	Very high	92.9	Very high	164 Å²	164	115.9 Å²	115.9	71%	0.713	64%	0.642	S	S	*	*			trans	-112.1	-4.3	-174.4	-62.9	-173.5	-179.5	-179.8	0	113.7	E195 K208	E195-K206 VanDerWaalsContact CD-N 3.28Å; E195-K206 PolarHBondContact OE1-N 3.01Å; E195-K206 PolarHBondContact OE2-N 3.27Å; K206-K208 PolarHBondContact O-N 3.27Å; K206-K208 VanDerWaalsContact O-N 3.1Å
207	L	94.9	Very high	92.9	Very high	139 Å²	139	114.7 Å²	114.7	73%	0.728	63%	0.627	S	S	*	*			trans	-56.6	116.5	174.8	-172.5	146.4	0	0	0	109.7	E195	E195-L207 VanDerWaalsContact OE1-CB 3.26Å; E195-L207 WeakPolarHBondContact OE1-CB 3.35Å; E195-L207 PolarHBondContact OE1-N 3.25Å
208	K	95.8	Very high	93	Very high	158 Å²	158	112.6 Å²	112.6	69%	0.687	62%	0.617	S	S	*	*			trans	-97.7	130.5	-176.5	-168.6	-174.9	-175.9	-167.3	0	109.9	K206 E210	K206-K208 PolarHBondContact O-N 3.27Å; K206-K208 VanDerWaalsContact O-N 3.1Å; K208-E210 HydrophobicContact CD-CG 4.17Å; K208-E210 WeakPolarHBondContact CE-OE1 3.35Å; K208-E210 HydrophobicContact CG-CG 4.32Å; K208-E210 IonicContact NZ-OE1 3.36Å; K208-E210 PolarHBondContact NZ-OE1 3.46Å
209	A	96.1	Very high	93.3	Very high	95 Å²	95	121.2 Å²	121.2	79%	0.785	66%	0.663	S	S	*	*			trans	-110.5	119.6	167.7	0	0	0	0	0	109.1
210	E	96.3	Very high	93.5	Very high	153 Å²	153	127.1 Å²	127.1	72%	0.715	68%	0.676	S	S	*	*			trans	-99.3	146	173.3	-62.2	-177.5	174.3	0	0	109.2	K208	K208-E210 HydrophobicContact CD-CG 4.17Å; K208-E210 WeakPolarHBondContact CE-OE1 3.35Å; K208-E210 HydrophobicContact CG-CG 4.32Å; K208-E210 IonicContact NZ-OE1 3.36Å; K208-E210 PolarHBondContact NZ-OE1 3.46Å
211	K	89.7	Confident	93.7	Very high	279 Å²	279	126.2 Å²	126.2	100%	1.213	65%	0.65	S	S	*	*			trans	-80.6	0	-173.5	-175.6	179.6	178.1	-176.7	0	112.4

Retrieved 211 of 211 residues in 254.1 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).