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Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession Z4YMP4, Species MOUSE (Mus musculus, Mouse), Gene Hacd4, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	41.7	Very low	40.7	Very low	191 Å²	191	154.2 Å²	154.2	100%	1.172	84%	0.836	S	S	*	*				0	124.8	0	31.1	0	0	0	0	108.8
2	P	39.2	Very low	40.5	Very low	125 Å²	125	160.3 Å²	160.3	81%	0.812	84%	0.838	S	S	*	*			trans	-90.6	145.7	-165.6	34.5	-32.3	0	0	0	113.4
3	A	43.9	Very low	40.5	Very low	100 Å²	100	159.3 Å²	159.3	83%	0.826	83%	0.832	S	S	*	*			trans	40.3	103.5	135.1	0	0	0	0	0	120.4
4	A	43.9	Very low	40.1	Very low	95 Å²	95	163.3 Å²	163.3	79%	0.785	83%	0.831	S	S	*	*			trans	-140.7	85.9	143	0	0	0	0	0	107.3
5	S	40.9	Very low	40.4	Very low	110 Å²	110	160.3 Å²	160.3	77%	0.769	83%	0.827	S	S	*	*				90.5	94.9	92.4	73.2	0	0	0	0	112.1	R7	S5-R7 PolarHBondContact O-N 3.14Å
6	R	44.5	Very low	40.7	Very low	243 Å²	243	162 Å²	162	92%	0.917	83%	0.833	S	S	*	*			trans	-30.5	119.1	151.4	-71.3	174.9	-100.5	-148.5	-6	111.7
7	R	41	Very low	41.1	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	82%	0.816	S	S	*	*			trans	-156.4	84.9	133	-140.6	165.1	-73.5	-147.1	1.2	111.3	S5 Q9	S5-R7 PolarHBondContact O-N 3.14Å; R7-Q9 PolarHBondContact O-N 2.87Å
8	C	43	Very low	41.8	Very low	110 Å²	110	153.5 Å²	153.5	74%	0.743	81%	0.813	S	S	*	*			trans	-23.9	127	150.6	-161.7	0	0	0	0	112.2	R10	C8-R10 PolarHBondContact O-N 3.47Å
9	Q	36.2	Very low	42.4	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	81%	0.81	S	S	*	*			trans	-8	87.8	154.5	-93.8	144.4	-61.2	0	0	113.8	R7 S11	R7-Q9 PolarHBondContact O-N 2.87Å; Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 3.05Å; Q9-S11 VanDerWaalsContact O-N 3.14Å
10	R	35.3	Very low	43.5	Very low	223 Å²	223	149.7 Å²	149.7	84%	0.842	81%	0.807	S	S	*	*			trans	-78.5	97.8	159.4	-152.5	173.7	-164.2	-177.5	3.3	105.4	C8 R12	C8-R10 PolarHBondContact O-N 3.47Å; R10-R12 PolarHBondContact O-N 2.79Å
11	S	37.8	Very low	44.5	Very low	85 Å²	85	146.6 Å²	146.6	59%	0.594	79%	0.79	S	S	*	*			trans	-22.3	116.7	161.3	37.8	0	0	0	0	111.4	Q9 L13	Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 3.05Å; Q9-S11 VanDerWaalsContact O-N 3.14Å; S11-L13 PolarHBondContact O-N 3.21Å
12	R	38.9	Very low	45.8	Very low	228 Å²	228	140.2 Å²	140.2	86%	0.86	75%	0.751	S	S	*	*			trans	-65.7	77.1	166.9	-130.7	-179.5	-70.9	-123.7	0.8	106.7	R10 W14	R10-R12 PolarHBondContact O-N 2.79Å; R12-W14 VanDerWaalsContact C-N 3.33Å; R12-W14 PolarHBondContact O-N 3.28Å
13	L	40	Very low	47	Very low	147 Å²	147	137 Å²	137	77%	0.77	74%	0.735	S	S	*	*			trans	-64.7	103	161.2	-112.2	86.3	0	0	0	105.2	S11 P15	S11-L13 PolarHBondContact O-N 3.21Å; L13-P15 WeakPolarHBondContact O-CD 3.48Å
14	W	34.8	Very low	47.9	Very low	215 Å²	215	140.6 Å²	140.6	81%	0.814	73%	0.727	S	S	*	*			trans	-49.1	123.1	163.2	-65.9	93.2	0	0	0	108.2	R12 M16	R12-W14 VanDerWaalsContact C-N 3.33Å; R12-W14 PolarHBondContact O-N 3.28Å; W14-M16 PolarHBondContact O-N 3.09Å; W14-M16 VanDerWaalsContact O-N 3.09Å
15	P	45.4	Very low	49	Very low	118 Å²	118	139.8 Å²	139.8	77%	0.766	71%	0.71	S	S	*	*			trans	-64.1	116.1	159.6	26.7	-26.4	0	0	0	104.9	L13 G17	L13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-G17 PolarHBondContact O-N 2.77Å
16	M	44	Very low	50.6	Low	188 Å²	188	138.2 Å²	138.2	93%	0.926	69%	0.69	S	S	*	*			trans	-55.5	98.1	162.8	-68	-172.4	-174.8	0	0	105.9	W14	W14-M16 PolarHBondContact O-N 3.09Å; W14-M16 VanDerWaalsContact O-N 3.09Å
17	G	48.6	Very low	52	Low	52 Å²	52	130.3 Å²	130.3	54%	0.536	67%	0.67	S	S	.	*			trans	-55.4	143.6	171	0	0	0	0	0	107.7	P15 S19	P15-G17 PolarHBondContact O-N 2.77Å; G17-S19 PolarHBondContact O-N 2.8Å
18	P	53.3	Low	53.6	Low	119 Å²	119	129 Å²	129	77%	0.773	67%	0.665	S	S	*	*			trans	-51	121.2	179.6	21.9	-31.1	0	0	0	107.3	V20	P18-V20 PolarHBondContact O-N 2.98Å
19	S	52.6	Low	55.3	Low	107 Å²	107	129.6 Å²	129.6	75%	0.748	65%	0.653	S	S	*	*			trans	-50.2	105.2	177.4	35	0	0	0	0	107.4	G17 L21	G17-S19 PolarHBondContact O-N 2.8Å; S19-L21 PolarHBondContact O-N 2.78Å
20	V	64.1	Low	57.5	Low	124 Å²	124	127.5 Å²	127.5	75%	0.752	64%	0.637	S	S	*	*			trans	-67.9	93.7	178.7	-173.3	0	0	0	0	104.6	P18	P18-V20 PolarHBondContact O-N 2.98Å
21	L	65.3	Low	59.8	Low	85 Å²	85	122.3 Å²	122.3	45%	0.445	62%	0.62	S	S	.	*			trans	-48.4	138.7	173.4	-77.4	167.5	0	0	0	107.8	S19 L25	S19-L21 PolarHBondContact O-N 2.78Å; L21-L25 HydrophobicContact CB-CB 4.1Å; L21-L25 HydrophobicContact CD2-CB 4.37Å; L21-L25 HydrophobicContact CD2-CD2 3.73Å
22	P	69.4	Low	62	Low	57 Å²	57	121.3 Å²	121.3	37%	0.37	61%	0.608	S	S	.	*			trans	-55.3	148.6	-179.1	23.5	-32.4	0	0	0	109.6	W24 L25	P22-W24 HydrophobicContact CB-CD2 4.08Å; P22-W24 VanDerWaalsContact CB-CE2 3.44Å; P22-W24 HydrophobicContact CB-CG 4.48Å; P22-W24 HydrophobicContact CB-CH2 4.36Å; P22-W24 HydrophobicContact CB-CZ2 3.61Å; P22-W24 HydrophobicContact CG-CZ2 4.39Å; P22-W24 PolarHBondContact O-N 2.92Å; P22-L25 HydrophobicContact CG-CB 4.29Å; P22-L25 PolarHBondContact O-N 3.39Å
23	A	64.9	Low	64.3	Low	56 Å²	56	113.1 Å²	113.1	46%	0.463	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-49.5	-34.7	-166.3	0	0	0	0	0	113.8	Q26 Y29	A23-Q26 WeakPolarHBondContact O-CB 3.49Å; A23-Q26 PolarHBondContact O-N 2.78Å; A23-Y29 VanDerWaalsContact O-CB 3.27Å; A23-Y29 WeakPolarHBondContact O-CB 3.27Å
24	W	62.4	Low	66.7	Low	176 Å²	176	111.6 Å²	111.6	67%	0.667	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-70	-25.6	176.5	42.1	87.3	0	0	0	115.7	P22 Y29 R30	P22-W24 HydrophobicContact CB-CD2 4.08Å; P22-W24 VanDerWaalsContact CB-CE2 3.44Å; P22-W24 HydrophobicContact CB-CG 4.48Å; P22-W24 HydrophobicContact CB-CH2 4.36Å; P22-W24 HydrophobicContact CB-CZ2 3.61Å; P22-W24 HydrophobicContact CG-CZ2 4.39Å; P22-W24 PolarHBondContact O-N 2.92Å; W24-Y29 HydrophobicContact CB-CD1 4.35Å; W24-Y29 HydrophobicContact CB-CE1 4.23Å; W24-R30 WeakPolarHBondContact O-CG 3.45Å
25	L	66	Low	69.2	Low	79 Å²	79	101.9 Å²	101.9	41%	0.414	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-86.9	-9.6	175.8	-116.5	82.3	0	0	0	113.2	L21 P22 R30	L21-L25 HydrophobicContact CB-CB 4.1Å; L21-L25 HydrophobicContact CD2-CB 4.37Å; L21-L25 HydrophobicContact CD2-CD2 3.73Å; P22-L25 HydrophobicContact CG-CB 4.29Å; P22-L25 PolarHBondContact O-N 3.39Å; L25-R30 PolarHBondContact O-NE 3.06Å; L25-R30 PolarHBondContact O-NH2 3.06Å
26	Q	75.1	Confident	71.3	Confident	77 Å²	77	99.2 Å²	99.2	36%	0.36	51%	0.508	S	S	.	.	S	Bend	trans	-61.9	131.5	-179.7	-65.6	-173.8	4.3	0	0	110.1	A23 R28 Y29 R30	A23-Q26 WeakPolarHBondContact O-CB 3.49Å; A23-Q26 PolarHBondContact O-N 2.78Å; Q26-R28 PolarHBondContact O-N 3.46Å; Q26-Y29 PolarHBondContact O-N 3.43Å; Q26-R30 PolarHBondContact O-N 3.14Å; Q26-R30 VanDerWaalsContact O-N 3.16Å
27	P	73.9	Confident	73.5	Confident	77 Å²	77	94.2 Å²	94.2	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-54.3	-30.8	179	-25.5	32.6	0	0	0	113.1	K31	P27-K31 WeakPolarHBondContact O-CD 3.39Å; P27-K31 WeakPolarHBondContact O-CG 3.42Å; P27-K31 PolarHBondContact O-N 2.99Å
28	R	74.8	Confident	75.6	Confident	198 Å²	198	92.5 Å²	92.5	75%	0.747	46%	0.462	S	S	*	.	H	α-helix	trans	-69.8	-42.9	178.2	-164.9	169.3	-174	169	-0.6	112.6	Q26 N32	Q26-R28 PolarHBondContact O-N 3.46Å; R28-N32 PolarHBondContact O-N 3.35Å; R28-N32 VanDerWaalsContact O-N 3.13Å; R28-N32 PolarHBondContact O-OD1 3.35Å
29	Y	78.3	Confident	77.4	Confident	123 Å²	123	86.9 Å²	86.9	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-45.9	178.1	-177.5	-98.1	0	0	0	111.7	A23 W24 Q26 K31 N32 V33	A23-Y29 VanDerWaalsContact O-CB 3.27Å; A23-Y29 WeakPolarHBondContact O-CB 3.27Å; W24-Y29 HydrophobicContact CB-CD1 4.35Å; W24-Y29 HydrophobicContact CB-CE1 4.23Å; Q26-Y29 PolarHBondContact O-N 3.43Å; Y29-K31 VanDerWaalsContact C-N 3.3Å; Y29-K31 PolarHBondContact O-N 3.03Å; Y29-N32 PolarHBondContact O-N 3.16Å; Y29-N32 VanDerWaalsContact O-N 3.14Å; Y29-V33 HydrophobicContact CD1-CG2 3.99Å; Y29-V33 HydrophobicContact CE1-CG2 3.6Å; Y29-V33 HydrophobicContact CE2-CG2 4.2Å; Y29-V33 HydrophobicContact CG-CG2 4.48Å; Y29-V33 WeakPolarHBondContact O-CG2 3.32Å; Y29-V33 PolarHBondContact O-N 3.49Å
30	R	81.6	Confident	79.3	Confident	143 Å²	143	85 Å²	85	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-40.3	177.4	-68.4	-170.7	-72.8	178.6	-2.4	112.8	W24 L25 Q26 Y34	W24-R30 WeakPolarHBondContact O-CG 3.45Å; L25-R30 PolarHBondContact O-NE 3.06Å; L25-R30 PolarHBondContact O-NH2 3.06Å; Q26-R30 PolarHBondContact O-N 3.14Å; Q26-R30 VanDerWaalsContact O-N 3.16Å; R30-Y34 WeakPolarHBondContact O-CB 3.47Å; R30-Y34 PolarHBondContact O-N 3.33Å
31	K	84.1	Confident	80.6	Confident	115 Å²	115	84 Å²	84	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-46.7	174.2	-74.5	173.4	-177.3	-169.2	0	111.9	P27 Y29 Y34 L35	P27-K31 WeakPolarHBondContact O-CD 3.39Å; P27-K31 WeakPolarHBondContact O-CG 3.42Å; P27-K31 PolarHBondContact O-N 2.99Å; Y29-K31 VanDerWaalsContact C-N 3.3Å; Y29-K31 PolarHBondContact O-N 3.03Å; K31-Y34 PolarHBondContact O-N 3.33Å; K31-L35 WeakPolarHBondContact O-CG 3.18Å; K31-L35 PolarHBondContact O-N 3.23Å
32	N	84.7	Confident	81.9	Confident	63 Å²	63	80 Å²	80	34%	0.337	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-42.9	179.8	-70.5	3.5	0	0	0	111.8	R28 Y29 Y34 L35 F36 V151	R28-N32 PolarHBondContact O-N 3.35Å; R28-N32 VanDerWaalsContact O-N 3.13Å; R28-N32 PolarHBondContact O-OD1 3.35Å; Y29-N32 PolarHBondContact O-N 3.16Å; Y29-N32 VanDerWaalsContact O-N 3.14Å; N32-Y34 PolarHBondContact O-N 3.33Å; N32-L35 PolarHBondContact O-N 2.94Å; N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 2.87Å; N32-V151 HydrophobicContact CB-CG1 3.86Å; N32-V151 WeakPolarHBondContact O-CG1 3.33Å
33	V	86.9	Confident	82.9	Confident	56 Å²	56	80.2 Å²	80.2	34%	0.339	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-43.9	176.2	174	0	0	0	0	111.1	Y29 F36 I37	Y29-V33 HydrophobicContact CD1-CG2 3.99Å; Y29-V33 HydrophobicContact CE1-CG2 3.6Å; Y29-V33 HydrophobicContact CE2-CG2 4.2Å; Y29-V33 HydrophobicContact CG-CG2 4.48Å; Y29-V33 WeakPolarHBondContact O-CG2 3.32Å; Y29-V33 PolarHBondContact O-N 3.49Å; V33-F36 PolarHBondContact O-N 2.94Å; V33-I37 HydrophobicContact CG1-CD1 3.85Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.23Å
34	Y	89.6	Confident	84.3	Confident	116 Å²	116	80.9 Å²	80.9	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-49.7	174.9	167.8	-93.6	0	0	0	112.1	R30 K31 N32 F36 I37 Y38 H89	R30-Y34 WeakPolarHBondContact O-CB 3.47Å; R30-Y34 PolarHBondContact O-N 3.33Å; K31-Y34 PolarHBondContact O-N 3.33Å; N32-Y34 PolarHBondContact O-N 3.33Å; Y34-F36 VanDerWaalsContact C-N 3.31Å; Y34-F36 PolarHBondContact O-N 3.34Å; Y34-I37 PolarHBondContact O-N 3.31Å; Y34-Y38 WeakPolarHBondContact O-CB 3.2Å; Y34-Y38 PolarHBondContact O-N 3.27Å; Y34-H89 AromaticContact CE1-CE1 3.72Å; Y34-H89 AromaticContact CE1-NE2 3.71Å; Y34-H89 AromaticContact CZ-NE2 3.94Å; Y34-H89 PolarHBondContact OH-NE2 3.13Å
35	L	88.2	Confident	85.7	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-40.3	178.5	-71.9	171.5	0	0	0	111.7	K31 N32 Y38 Y39 I94 V151	K31-L35 WeakPolarHBondContact O-CG 3.18Å; K31-L35 PolarHBondContact O-N 3.23Å; N32-L35 PolarHBondContact O-N 2.94Å; L35-Y38 WeakPolarHBondContact O-CB 3.38Å; L35-Y38 PolarHBondContact O-N 3.43Å; L35-Y39 HydrophobicContact CB-CD2 4.49Å; L35-Y39 HydrophobicContact CB-CE2 4.03Å; L35-Y39 WeakPolarHBondContact O-CD2 3.48Å; L35-Y39 PolarHBondContact O-N 3.12Å; L35-I94 HydrophobicContact CD1-CG2 3.88Å; L35-I94 HydrophobicContact CD2-CG2 4.19Å; L35-I94 HydrophobicContact CG-CG2 4.37Å; L35-V151 HydrophobicContact CB-CG1 4.49Å; L35-V151 HydrophobicContact CB-CG2 4.17Å
36	F	90	Very high	86.9	Confident	61 Å²	61	69.4 Å²	69.4	27%	0.268	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-48.8	177.3	178.6	-99.7	0	0	0	111.8	N32 V33 Y34 Y38 Y39 L40 M148 V151 I152	N32-F36 WeakPolarHBondContact O-CB 3.37Å; N32-F36 PolarHBondContact O-N 2.87Å; V33-F36 PolarHBondContact O-N 2.94Å; Y34-F36 VanDerWaalsContact C-N 3.31Å; Y34-F36 PolarHBondContact O-N 3.34Å; F36-Y38 VanDerWaalsContact C-N 3.32Å; F36-Y38 PolarHBondContact O-N 3.49Å; F36-Y39 PolarHBondContact O-N 3.45Å; F36-L40 WeakPolarHBondContact O-CB 3.33Å; F36-L40 PolarHBondContact O-N 3.25Å; F36-M148 HydrophobicContact CD2-CB 4.32Å; F36-M148 HydrophobicContact CD2-CE 4.27Å; F36-M148 HydrophobicContact CD2-CG 4.42Å; F36-M148 HydrophobicContact CE2-CB 4.22Å; F36-M148 HydrophobicContact CE2-CE 3.5Å; F36-M148 VanDerWaalsContact CE2-CE 3.5Å; F36-M148 HydrophobicContact CE2-CG 4.4Å; F36-M148 HydrophobicContact CZ-CE 3.75Å; F36-V151 HydrophobicContact CB-CG1 4.12Å; F36-I152 HydrophobicContact CD2-CD1 3.92Å; F36-I152 HydrophobicContact CD2-CG1 3.95Å; F36-I152 HydrophobicContact CE2-CD1 3.4Å; F36-I152 VanDerWaalsContact CE2-CD1 3.4Å; F36-I152 HydrophobicContact CE2-CG1 3.96Å; F36-I152 HydrophobicContact CZ-CD1 4.21Å
37	I	90.6	Very high	87.7	Confident	84 Å²	84	67.2 Å²	67.2	43%	0.431	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177.2	-66.4	166.9	0	0	0	110.5	V33 Y34 L40 I41	V33-I37 HydrophobicContact CG1-CD1 3.85Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.23Å; Y34-I37 PolarHBondContact O-N 3.31Å; I37-L40 WeakPolarHBondContact O-CB 3.35Å; I37-L40 PolarHBondContact O-N 2.9Å; I37-I41 HydrophobicContact CG2-CD1 3.86Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.02Å; I37-I41 PolarHBondContact O-N 3.46Å
38	Y	91.3	Very high	88.5	Confident	16 Å²	16	71.1 Å²	71.1	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-50.3	176.8	169.1	-95.2	0	0	0	111.9	Y34 L35 F36 L40 I41 Q42 I82 L85	Y34-Y38 WeakPolarHBondContact O-CB 3.2Å; Y34-Y38 PolarHBondContact O-N 3.27Å; L35-Y38 WeakPolarHBondContact O-CB 3.38Å; L35-Y38 PolarHBondContact O-N 3.43Å; F36-Y38 VanDerWaalsContact C-N 3.32Å; F36-Y38 PolarHBondContact O-N 3.49Å; Y38-L40 VanDerWaalsContact C-N 3.31Å; Y38-L40 PolarHBondContact O-N 3.25Å; Y38-I41 PolarHBondContact O-N 3.35Å; Y38-Q42 HydrophobicContact CE1-CG 4.42Å; Y38-Q42 HydrophobicContact CE2-CG 4.44Å; Y38-Q42 PolarHBondContact O-N 3.4Å; Y38-Q42 VanDerWaalsContact O-N 3.12Å; Y38-I82 HydrophobicContact CD2-CG2 4.34Å; Y38-I82 HydrophobicContact CE2-CG2 3.58Å; Y38-I82 PolarHBondContact OH-O 2.96Å; Y38-L85 HydrophobicContact CE2-CB 4.28Å
39	Y	91.4	Very high	89.3	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-31.3	178.3	-60.8	-48.4	0	0	0	112.5	L35 F36 Q42 F43 E95 Y144 M148 V151	L35-Y39 HydrophobicContact CB-CD2 4.49Å; L35-Y39 HydrophobicContact CB-CE2 4.03Å; L35-Y39 WeakPolarHBondContact O-CD2 3.48Å; L35-Y39 PolarHBondContact O-N 3.12Å; F36-Y39 PolarHBondContact O-N 3.45Å; Y39-Q42 PolarHBondContact O-N 2.93Å; Y39-F43 VanDerWaalsContact O-CB 3.29Å; Y39-F43 WeakPolarHBondContact O-CB 3.4Å; Y39-F43 PolarHBondContact O-N 3.14Å; Y39-E95 PolarHBondContact OH-OE1 3.45Å; Y39-E95 PolarHBondContact OH-OE2 3.21Å; Y39-Y144 AromaticContact CD1-CD1 3.69Å; Y39-Y144 HydrophobicContact CD1-CD1 3.69Å; Y39-Y144 HydrophobicContact CD1-CE1 4.06Å; Y39-Y144 HydrophobicContact CE1-CD1 4.44Å; Y39-Y144 HydrophobicContact CG-CD1 4.48Å; Y39-M148 HydrophobicContact CD2-CG 4.44Å; Y39-M148 HydrophobicContact CG-CG 4.32Å; Y39-V151 HydrophobicContact CD2-CG2 4.21Å; Y39-V151 HydrophobicContact CE2-CG2 3.76Å
40	L	91.8	Very high	89.9	Confident	68 Å²	68	57 Å²	57	36%	0.356	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-47.2	174.8	-179.5	68.4	0	0	0	111.3	F36 I37 Y38 Q42 F43 C44 M148	F36-L40 WeakPolarHBondContact O-CB 3.33Å; F36-L40 PolarHBondContact O-N 3.25Å; I37-L40 WeakPolarHBondContact O-CB 3.35Å; I37-L40 PolarHBondContact O-N 2.9Å; Y38-L40 VanDerWaalsContact C-N 3.31Å; Y38-L40 PolarHBondContact O-N 3.25Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 2.91Å; L40-F43 PolarHBondContact O-N 3.37Å; L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 3.06Å; L40-M148 HydrophobicContact CB-CE 3.9Å; L40-M148 HydrophobicContact CB-SD 4.4Å; L40-M148 HydrophobicContact CD1-CE 3.57Å; L40-M148 HydrophobicContact CG-CE 4.33Å
41	I	92	Very high	90.3	Very high	101 Å²	101	52.9 Å²	52.9	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-44.7	177.2	-68.7	166.5	0	0	0	110.1	I37 Y38 C44 G45	I37-I41 HydrophobicContact CG2-CD1 3.86Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.02Å; I37-I41 PolarHBondContact O-N 3.46Å; Y38-I41 PolarHBondContact O-N 3.35Å; I41-C44 PolarHBondContact O-N 3.41Å; I41-G45 PolarHBondContact O-N 3.3Å
42	Q	91.8	Very high	90.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-43.3	177.3	-75.8	-74.2	30.3	0	0	112.3	Y38 Y39 L40 C44 G45 H46 C79 I82 S83 Y144	Y38-Q42 HydrophobicContact CE1-CG 4.42Å; Y38-Q42 HydrophobicContact CE2-CG 4.44Å; Y38-Q42 PolarHBondContact O-N 3.4Å; Y38-Q42 VanDerWaalsContact O-N 3.12Å; Y39-Q42 PolarHBondContact O-N 2.93Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 2.91Å; Q42-C44 PolarHBondContact O-N 3.36Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q42-H46 WeakPolarHBondContact O-CB 3.5Å; Q42-H46 PolarHBondContact O-CD2 3.43Å; Q42-H46 PolarHBondContact O-N 3.27Å; Q42-C79 PolarHBondContact NE2-O 3.46Å; Q42-I82 HydrophobicContact CG-CG2 4.31Å; Q42-I82 VanDerWaalsContact NE2-CG2 3.28Å; Q42-S83 PolarHBondContact NE2-OG 3.47Å; Q42-Y144 HydrophobicContact CB-CD1 3.98Å; Q42-Y144 HydrophobicContact CB-CD2 3.93Å; Q42-Y144 HydrophobicContact CB-CE1 3.78Å; Q42-Y144 HydrophobicContact CB-CE2 3.79Å; Q42-Y144 HydrophobicContact CB-CG 4.04Å; Q42-Y144 HydrophobicContact CG-CE1 4Å; Q42-Y144 HydrophobicContact CG-CE2 4.39Å
43	F	92.3	Very high	90.5	Very high	62 Å²	62	46.3 Å²	46.3	27%	0.272	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-50	174.4	175.3	-95.9	0	0	0	111	Y39 L40 G45 H46 S47 M141 T145 M148	Y39-F43 VanDerWaalsContact O-CB 3.29Å; Y39-F43 WeakPolarHBondContact O-CB 3.4Å; Y39-F43 PolarHBondContact O-N 3.14Å; L40-F43 PolarHBondContact O-N 3.37Å; F43-G45 PolarHBondContact O-N 2.94Å; F43-H46 PolarHBondContact O-N 3.01Å; F43-S47 VanDerWaalsContact O-CB 3.31Å; F43-S47 WeakPolarHBondContact O-CB 3.26Å; F43-S47 PolarHBondContact O-N 3.18Å; F43-S47 PolarHBondContact O-OG 3.32Å; F43-M141 HydrophobicContact CD2-CG 3.79Å; F43-M141 HydrophobicContact CE2-CG 3.49Å; F43-M141 VanDerWaalsContact CE2-CG 3.49Å; F43-M141 HydrophobicContact CE2-SD 4.28Å; F43-M141 HydrophobicContact CZ-CG 4.44Å; F43-T145 WeakPolarHBondContact CD2-OG1 3.27Å; F43-T145 VanDerWaalsContact CE2-OG1 3.25Å; F43-T145 WeakPolarHBondContact CE2-OG1 3.23Å; F43-M148 HydrophobicContact CB-SD 4.13Å
44	C	92.9	Very high	90.4	Very high	69 Å²	69	45.9 Å²	45.9	47%	0.466	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-43.9	177.7	-68.9	0	0	0	0	112.5	L40 I41 Q42 W48	L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 3.06Å; I41-C44 PolarHBondContact O-N 3.41Å; Q42-C44 PolarHBondContact O-N 3.36Å; C44-W48 WeakPolarHBondContact O-CB 3.47Å; C44-W48 PolarHBondContact O-N 2.94Å
45	G	91.8	Very high	90.2	Very high	14 Å²	14	44.6 Å²	44.6	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-50.7	177.8	0	0	0	0	0	112.5	I41 Q42 F43 W48 I49	I41-G45 PolarHBondContact O-N 3.3Å; Q42-G45 PolarHBondContact O-N 3.28Å; F43-G45 PolarHBondContact O-N 2.94Å; G45-W48 PolarHBondContact O-N 2.94Å; G45-I49 VanDerWaalsContact O-CG1 3.3Å; G45-I49 WeakPolarHBondContact O-CG1 3.37Å; G45-I49 PolarHBondContact O-N 2.88Å
46	H	91.2	Very high	89.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-37.6	179	-76.2	-69.5	0	0	0	112.9	Q42 F43 I49 L50 N137 Y144	Q42-H46 WeakPolarHBondContact O-CB 3.5Å; Q42-H46 PolarHBondContact O-CD2 3.43Å; Q42-H46 PolarHBondContact O-N 3.27Å; F43-H46 PolarHBondContact O-N 3.01Å; H46-I49 PolarHBondContact O-N 3.31Å; H46-L50 VanDerWaalsContact O-CB 3.25Å; H46-L50 WeakPolarHBondContact O-CB 3.29Å; H46-L50 PolarHBondContact O-N 2.94Å; H46-N137 PolarHBondContact ND1-OD1 2.77Å; H46-Y144 AromaticContact CD2-CD2 3.76Å; H46-Y144 AromaticContact CD2-CE2 3.32Å; H46-Y144 WeakPolarHBondContact CD2-CE2 3.38Å; H46-Y144 AromaticContact NE2-CE2 3.47Å; H46-Y144 WeakPolarHBondContact NE2-CE2 3.29Å
47	S	92.1	Very high	89.1	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-40.3	174.1	-66.2	0	0	0	0	112.1	F43 L50 A51	F43-S47 VanDerWaalsContact O-CB 3.31Å; F43-S47 WeakPolarHBondContact O-CB 3.26Å; F43-S47 PolarHBondContact O-N 3.18Å; F43-S47 PolarHBondContact O-OG 3.32Å; S47-L50 PolarHBondContact O-N 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.25Å; S47-A51 PolarHBondContact O-N 3.41Å
48	W	91.6	Very high	88.5	Confident	159 Å²	159	50.6 Å²	50.6	60%	0.602	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-48.4	174.7	175.7	-91.4	0	0	0	111.5	C44 G45 L50 A51 N52	C44-W48 WeakPolarHBondContact O-CB 3.47Å; C44-W48 PolarHBondContact O-N 2.94Å; G45-W48 PolarHBondContact O-N 2.94Å; W48-L50 VanDerWaalsContact C-N 3.33Å; W48-L50 PolarHBondContact O-N 3.39Å; W48-A51 PolarHBondContact O-N 3.02Å; W48-N52 PolarHBondContact NE1-ND2 3.48Å; W48-N52 WeakPolarHBondContact O-CB 3.42Å; W48-N52 PolarHBondContact O-N 2.86Å; W48-N52 PolarHBondContact O-ND2 3.18Å
49	I	90.8	Very high	87.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-47	177.4	-65.8	161.7	0	0	0	110.2	G45 H46 N52 M53 I72 V75 M76 C79 N137	G45-I49 VanDerWaalsContact O-CG1 3.3Å; G45-I49 WeakPolarHBondContact O-CG1 3.37Å; G45-I49 PolarHBondContact O-N 2.88Å; H46-I49 PolarHBondContact O-N 3.31Å; I49-N52 PolarHBondContact O-N 3.01Å; I49-M53 HydrophobicContact CG2-CG 4.42Å; I49-M53 WeakPolarHBondContact O-CB 3.46Å; I49-M53 WeakPolarHBondContact O-CG 3.31Å; I49-M53 PolarHBondContact O-N 3.37Å; I49-I72 HydrophobicContact CG2-CG2 3.74Å; I49-V75 HydrophobicContact CD1-CG1 3.98Å; I49-V75 HydrophobicContact CG1-CB 4.39Å; I49-V75 HydrophobicContact CG1-CG1 3.94Å; I49-M76 HydrophobicContact CD1-CB 4.26Å; I49-M76 HydrophobicContact CD1-SD 3.84Å; I49-M76 HydrophobicContact CG2-SD 4.39Å; I49-C79 HydrophobicContact CD1-CB 4.42Å; I49-N137 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N137 WeakPolarHBondContact CG2-OD1 3.3Å
50	L	90.9	Very high	86	Confident	25 Å²	25	62.9 Å²	62.9	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-50.2	-179.7	-174.5	68.1	0	0	0	111.4	H46 S47 W48 N52 M53 T54 I134 N137 L138 M141	H46-L50 VanDerWaalsContact O-CB 3.25Å; H46-L50 WeakPolarHBondContact O-CB 3.29Å; H46-L50 PolarHBondContact O-N 2.94Å; S47-L50 PolarHBondContact O-N 3.26Å; W48-L50 VanDerWaalsContact C-N 3.33Å; W48-L50 PolarHBondContact O-N 3.39Å; L50-N52 PolarHBondContact O-N 3.45Å; L50-M53 PolarHBondContact O-N 3.45Å; L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.27Å; L50-T54 PolarHBondContact O-OG1 2.84Å; L50-I134 HydrophobicContact CD1-CB 4.31Å; L50-I134 HydrophobicContact CD1-CG2 3.84Å; L50-N137 HydrophobicContact CB-CB 4.22Å; L50-N137 HydrophobicContact CD1-CB 4.3Å; L50-L138 HydrophobicContact CD1-CB 4.4Å; L50-L138 HydrophobicContact CD2-CD1 4.28Å; L50-M141 HydrophobicContact CD2-SD 3.97Å
51	A	89.8	Confident	84.3	Confident	55 Å²	55	61.3 Å²	61.3	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-47.3	179.9	0	0	0	0	0	111.7	S47 W48 M53 T54 V55	S47-A51 WeakPolarHBondContact O-CB 3.25Å; S47-A51 PolarHBondContact O-N 3.41Å; W48-A51 PolarHBondContact O-N 3.02Å; A51-M53 PolarHBondContact O-N 3.03Å; A51-T54 PolarHBondContact O-N 3.49Å; A51-V55 VanDerWaalsContact O-CG2 3.3Å; A51-V55 WeakPolarHBondContact O-CG2 3.32Å; A51-V55 PolarHBondContact O-N 3.37Å
52	N	87.6	Confident	82.6	Confident	41 Å²	41	65.5 Å²	65.5	22%	0.219	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-40.3	178.7	-80.6	-85.1	0	0	0	112.1	W48 I49 L50 R56 I72	W48-N52 PolarHBondContact NE1-ND2 3.48Å; W48-N52 WeakPolarHBondContact O-CB 3.42Å; W48-N52 PolarHBondContact O-N 2.86Å; W48-N52 PolarHBondContact O-ND2 3.18Å; I49-N52 PolarHBondContact O-N 3.01Å; L50-N52 PolarHBondContact O-N 3.45Å; N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 WeakPolarHBondContact O-CD 3.42Å; N52-R56 VanDerWaalsContact O-CG 3.23Å; N52-R56 WeakPolarHBondContact O-CG 3.47Å; N52-R56 PolarHBondContact O-N 3.04Å; N52-I72 HydrophobicContact CB-CD1 3.88Å; N52-I72 HydrophobicContact CB-CG1 4.23Å
53	M	85.1	Confident	80.9	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68.3	-41.1	176.2	-80.1	-66.4	176.6	0	0	112.5	I49 L50 A51 R56 F57 F69 I72 F133 I134	I49-M53 HydrophobicContact CG2-CG 4.42Å; I49-M53 WeakPolarHBondContact O-CB 3.46Å; I49-M53 WeakPolarHBondContact O-CG 3.31Å; I49-M53 PolarHBondContact O-N 3.37Å; L50-M53 PolarHBondContact O-N 3.45Å; A51-M53 PolarHBondContact O-N 3.03Å; M53-R56 PolarHBondContact O-N 2.82Å; M53-F57 WeakPolarHBondContact O-CB 3.38Å; M53-F57 PolarHBondContact O-N 3.11Å; M53-F69 HydrophobicContact CE-CD1 3.91Å; M53-F69 HydrophobicContact CE-CE1 3.58Å; M53-F69 HydrophobicContact CE-CZ 4.05Å; M53-F69 HydrophobicContact SD-CE1 4.33Å; M53-F69 HydrophobicContact SD-CZ 4.25Å; M53-I72 HydrophobicContact CE-CB 3.92Å; M53-I72 HydrophobicContact CE-CD1 3.72Å; M53-I72 HydrophobicContact CE-CG1 4.42Å; M53-I72 HydrophobicContact CE-CG2 3.36Å; M53-I72 HydrophobicContact CG-CD1 4.24Å; M53-I72 HydrophobicContact CG-CG2 4.22Å; M53-I72 HydrophobicContact SD-CD1 4.13Å; M53-F133 HydrophobicContact CE-CD1 4.33Å; M53-F133 HydrophobicContact CE-CG 4.48Å; M53-F133 HydrophobicContact CG-CB 4.49Å; M53-I134 HydrophobicContact CB-CD1 4.37Å; M53-I134 HydrophobicContact CB-CG1 3.82Å
54	T	86.1	Confident	79.2	Confident	46 Å²	46	74 Å²	74	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-65.2	-45.2	178.2	-60.5	0	0	0	0	111.7	L50 A51 R56 F57 F58	L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.27Å; L50-T54 PolarHBondContact O-OG1 2.84Å; A51-T54 PolarHBondContact O-N 3.49Å; T54-R56 PolarHBondContact O-N 3.39Å; T54-F57 WeakPolarHBondContact O-CB 3.46Å; T54-F57 PolarHBondContact O-N 3.46Å; T54-F58 HydrophobicContact CG2-CD2 3.7Å; T54-F58 HydrophobicContact CG2-CE2 3.48Å; T54-F58 VanDerWaalsContact CG2-CE2 3.48Å; T54-F58 WeakPolarHBondContact O-CD2 3.5Å; T54-F58 PolarHBondContact O-N 3.24Å; T54-F58 VanDerWaalsContact O-N 3.08Å
55	V	84.5	Confident	77.6	Confident	90 Å²	90	72.5 Å²	72.5	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-57.9	-39.9	176.6	169.5	0	0	0	0	111.1	A51 F58 S59	A51-V55 VanDerWaalsContact O-CG2 3.3Å; A51-V55 WeakPolarHBondContact O-CG2 3.32Å; A51-V55 PolarHBondContact O-N 3.37Å; V55-F58 PolarHBondContact O-N 3.48Å; V55-S59 WeakPolarHBondContact O-CB 3.31Å; V55-S59 PolarHBondContact O-N 3.3Å; V55-S59 PolarHBondContact O-OG 3.43Å
56	R	75.7	Confident	76.2	Confident	45 Å²	45	74.8 Å²	74.8	17%	0.17	40%	0.399	C	S	.	.	H	α-helix	trans	-73.2	-34.5	178.4	-72.5	172.6	178.1	-77.6	-19.1	113.4	N52 M53 T54 F58 S64 M65 T68	N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 WeakPolarHBondContact O-CD 3.42Å; N52-R56 VanDerWaalsContact O-CG 3.23Å; N52-R56 WeakPolarHBondContact O-CG 3.47Å; N52-R56 PolarHBondContact O-N 3.04Å; M53-R56 PolarHBondContact O-N 2.82Å; T54-R56 PolarHBondContact O-N 3.39Å; R56-F58 VanDerWaalsContact C-N 3.28Å; R56-F58 PolarHBondContact O-N 3.16Å; R56-S64 PolarHBondContact NH1-O 3.32Å; R56-M65 HydrophobicContact CB-CE 4.47Å; R56-M65 HydrophobicContact CB-SD 4.43Å; R56-T68 VanDerWaalsContact NH1-CB 3.33Å; R56-T68 PolarHBondContact NH1-OG1 3.46Å; R56-T68 PolarHBondContact NH2-OG1 2.92Å
57	F	78.9	Confident	75.1	Confident	82 Å²	82	81.6 Å²	81.6	36%	0.36	44%	0.435	S	S	.	.	H	α-helix	trans	-62.7	-37.5	173.6	-174	-95.6	0	0	0	111.6	M53 T54 V131 I134	M53-F57 WeakPolarHBondContact O-CB 3.38Å; M53-F57 PolarHBondContact O-N 3.11Å; T54-F57 WeakPolarHBondContact O-CB 3.46Å; T54-F57 PolarHBondContact O-N 3.46Å; F57-V131 HydrophobicContact CE2-CG2 3.97Å; F57-I134 HydrophobicContact CB-CD1 4.25Å; F57-I134 HydrophobicContact CG-CD1 4.42Å
58	F	79.3	Confident	74.1	Confident	155 Å²	155	81.4 Å²	81.4	68%	0.68	43%	0.433	S	S	*	.	H	α-helix	trans	-84.7	-32.4	177.2	-71.7	-66.1	0	0	0	113.9	T54 V55 R56 F60	T54-F58 HydrophobicContact CG2-CD2 3.7Å; T54-F58 HydrophobicContact CG2-CE2 3.48Å; T54-F58 VanDerWaalsContact CG2-CE2 3.48Å; T54-F58 WeakPolarHBondContact O-CD2 3.5Å; T54-F58 PolarHBondContact O-N 3.24Å; T54-F58 VanDerWaalsContact O-N 3.08Å; V55-F58 PolarHBondContact O-N 3.48Å; R56-F58 VanDerWaalsContact C-N 3.28Å; R56-F58 PolarHBondContact O-N 3.16Å; F58-F60 PolarHBondContact O-N 2.86Å
59	S	71.1	Confident	73.3	Confident	73 Å²	73	74.6 Å²	74.6	51%	0.51	41%	0.407	S	S	.	.	S	Bend	trans	-90.1	83.6	179	-54.6	0	0	0	0	109.7	V55 G61	V55-S59 WeakPolarHBondContact O-CB 3.31Å; V55-S59 PolarHBondContact O-N 3.3Å; V55-S59 PolarHBondContact O-OG 3.43Å; S59-G61 PolarHBondContact O-N 3.26Å
60	F	59.6	Low	72.6	Confident	201 Å²	201	81.6 Å²	81.6	88%	0.882	44%	0.435	S	S	*	.			trans	-61.9	97.3	173.9	-94.1	-92.3	0	0	0	111	F58	F58-F60 PolarHBondContact O-N 2.86Å
61	G	56.1	Low	72.1	Confident	36 Å²	36	82.8 Å²	82.8	37%	0.371	45%	0.448	S	S	.	.			trans	-148.9	104.4	170.1	0	0	0	0	0	109.7	S59 D63 M65	S59-G61 PolarHBondContact O-N 3.26Å; G61-D63 PolarHBondContact O-N 3.5Å; G61-M65 WeakPolarHBondContact O-CE 3.34Å; G61-M65 WeakPolarHBondContact O-CG 3.3Å
62	K	56.3	Low	71.9	Confident	188 Å²	188	80.4 Å²	80.4	82%	0.817	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.8	-178.5	-87.4	-174.4	164	78.1	0	112.8	S64	K62-S64 PolarHBondContact O-N 3.35Å
63	D	56.2	Low	71.6	Confident	166 Å²	166	78.8 Å²	78.8	89%	0.888	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-86.7	-7.4	-164.7	-53.8	-40.2	0	0	0	115	G61	G61-D63 PolarHBondContact O-N 3.5Å
64	S	55.9	Low	71.7	Confident	77 Å²	77	82.5 Å²	82.5	54%	0.538	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-108.5	7.9	174.7	-171.1	0	0	0	0	113	R56 K62	R56-S64 PolarHBondContact NH1-O 3.32Å; K62-S64 PolarHBondContact O-N 3.35Å
65	M	58.2	Low	71.7	Confident	38 Å²	38	82.4 Å²	82.4	19%	0.187	44%	0.439	C	S	.	.	H	α-helix	trans	-78.4	-45.5	-170.2	-68.2	-76.2	178.4	0	0	112.7	R56 G61 T68 F69	R56-M65 HydrophobicContact CB-CE 4.47Å; R56-M65 HydrophobicContact CB-SD 4.43Å; G61-M65 WeakPolarHBondContact O-CE 3.34Å; G61-M65 WeakPolarHBondContact O-CG 3.3Å; M65-T68 PolarHBondContact O-N 3.06Å; M65-F69 HydrophobicContact CB-CD2 4.21Å; M65-F69 HydrophobicContact CB-CE2 4.5Å; M65-F69 WeakPolarHBondContact O-CB 3.49Å; M65-F69 WeakPolarHBondContact O-CD2 3.14Å; M65-F69 PolarHBondContact O-N 2.86Å; M65-F69 HydrophobicContact SD-CD2 4.46Å; M65-F69 HydrophobicContact SD-CE2 3.98Å
66	A	64.1	Low	71.8	Confident	62 Å²	62	78.1 Å²	78.1	51%	0.512	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-56.4	-167.9	0	0	0	0	0	113.8	T68 F69 Y70	A66-T68 PolarHBondContact O-N 3.47Å; A66-T68 VanDerWaalsContact O-N 3.15Å; A66-F69 PolarHBondContact O-N 3.18Å; A66-Y70 PolarHBondContact O-N 2.9Å
67	D	67.9	Low	72.4	Confident	143 Å²	143	78.3 Å²	78.3	77%	0.765	41%	0.414	S	S	*	.	H	α-helix	trans	-60.1	-32.7	-178.1	-83.3	-14.7	0	0	0	112.9	Y70 A71	D67-Y70 WeakPolarHBondContact O-CB 3.32Å; D67-A71 PolarHBondContact O-N 2.96Å; D67-A71 VanDerWaalsContact O-N 3.09Å
68	T	69.9	Low	72.9	Confident	28 Å²	28	78 Å²	78	17%	0.172	42%	0.419	C	S	.	.	H	α-helix	trans	-88.7	-27.3	-177.5	-45	0	0	0	0	112.8	R56 M65 A66 A71 I72	R56-T68 VanDerWaalsContact NH1-CB 3.33Å; R56-T68 PolarHBondContact NH1-OG1 3.46Å; R56-T68 PolarHBondContact NH2-OG1 2.92Å; M65-T68 PolarHBondContact O-N 3.06Å; A66-T68 PolarHBondContact O-N 3.47Å; A66-T68 VanDerWaalsContact O-N 3.15Å; T68-A71 PolarHBondContact O-N 3.28Å; T68-I72 HydrophobicContact CG2-CD1 3.73Å; T68-I72 HydrophobicContact CG2-CG1 3.97Å; T68-I72 VanDerWaalsContact O-CB 3.29Å; T68-I72 WeakPolarHBondContact O-CB 3.3Å; T68-I72 WeakPolarHBondContact O-CD1 3.36Å; T68-I72 WeakPolarHBondContact O-CG1 3.47Å; T68-I72 PolarHBondContact O-N 3.2Å
69	F	74.4	Confident	73.3	Confident	16 Å²	16	71.1 Å²	71.1	7%	0.07	39%	0.39	C	S	.	.	H	α-helix	trans	-62.1	-37.8	165	-97.4	-84.4	0	0	0	110.8	M53 M65 A66 G73 Q124 C130	M53-F69 HydrophobicContact CE-CD1 3.91Å; M53-F69 HydrophobicContact CE-CE1 3.58Å; M53-F69 HydrophobicContact CE-CZ 4.05Å; M53-F69 HydrophobicContact SD-CE1 4.33Å; M53-F69 HydrophobicContact SD-CZ 4.25Å; M65-F69 HydrophobicContact CB-CD2 4.21Å; M65-F69 HydrophobicContact CB-CE2 4.5Å; M65-F69 WeakPolarHBondContact O-CB 3.49Å; M65-F69 WeakPolarHBondContact O-CD2 3.14Å; M65-F69 PolarHBondContact O-N 2.86Å; M65-F69 HydrophobicContact SD-CD2 4.46Å; M65-F69 HydrophobicContact SD-CE2 3.98Å; A66-F69 PolarHBondContact O-N 3.18Å; F69-G73 WeakPolarHBondContact O-CA 3.47Å; F69-G73 PolarHBondContact O-N 3.4Å; F69-Q124 HydrophobicContact CD1-CB 4.25Å; F69-Q124 WeakPolarHBondContact CE1-O 3.25Å; F69-Q124 WeakPolarHBondContact CZ-O 3.19Å; F69-C130 HydrophobicContact CZ-CB 4.39Å
70	Y	76.8	Confident	74.1	Confident	146 Å²	146	67.7 Å²	67.7	57%	0.573	37%	0.366	S	S	*	.	H	α-helix	trans	-60.9	-49.6	172.5	-172	-93.6	0	0	0	111.8	A66 D67 G73 L74	A66-Y70 PolarHBondContact O-N 2.9Å; D67-Y70 WeakPolarHBondContact O-CB 3.32Å; Y70-G73 PolarHBondContact O-N 3.39Å; Y70-L74 WeakPolarHBondContact O-CB 3.16Å; Y70-L74 PolarHBondContact O-N 3.24Å
71	A	81.6	Confident	75.4	Confident	50 Å²	50	60.9 Å²	60.9	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-49.2	178	0	0	0	0	0	112.6	D67 T68 L74 V75	D67-A71 PolarHBondContact O-N 2.96Å; D67-A71 VanDerWaalsContact O-N 3.09Å; T68-A71 PolarHBondContact O-N 3.28Å; A71-L74 PolarHBondContact O-N 3.25Å; A71-V75 WeakPolarHBondContact O-CG2 3.24Å; A71-V75 PolarHBondContact O-N 3.01Å
72	I	84.5	Confident	76.9	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-42.4	179.2	-65.5	165.5	0	0	0	110.6	I49 N52 M53 T68 L74 V75 M76	I49-I72 HydrophobicContact CG2-CG2 3.74Å; N52-I72 HydrophobicContact CB-CD1 3.88Å; N52-I72 HydrophobicContact CB-CG1 4.23Å; M53-I72 HydrophobicContact CE-CB 3.92Å; M53-I72 HydrophobicContact CE-CD1 3.72Å; M53-I72 HydrophobicContact CE-CG1 4.42Å; M53-I72 HydrophobicContact CE-CG2 3.36Å; M53-I72 HydrophobicContact CG-CD1 4.24Å; M53-I72 HydrophobicContact CG-CG2 4.22Å; M53-I72 HydrophobicContact SD-CD1 4.13Å; T68-I72 HydrophobicContact CG2-CD1 3.73Å; T68-I72 HydrophobicContact CG2-CG1 3.97Å; T68-I72 VanDerWaalsContact O-CB 3.29Å; T68-I72 WeakPolarHBondContact O-CB 3.3Å; T68-I72 WeakPolarHBondContact O-CD1 3.36Å; T68-I72 WeakPolarHBondContact O-CG1 3.47Å; T68-I72 PolarHBondContact O-N 3.2Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.4Å; I72-V75 PolarHBondContact O-N 2.73Å; I72-M76 WeakPolarHBondContact O-CB 3.5Å; I72-M76 PolarHBondContact O-N 3.45Å
73	G	82.3	Confident	78.3	Confident	7 Å²	7	52.7 Å²	52.7	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176.7	0	0	0	0	0	111.9	F69 Y70 M76 R77	F69-G73 WeakPolarHBondContact O-CA 3.47Å; F69-G73 PolarHBondContact O-N 3.4Å; Y70-G73 PolarHBondContact O-N 3.39Å; G73-M76 PolarHBondContact O-N 2.94Å; G73-R77 WeakPolarHBondContact O-CG 3.5Å; G73-R77 PolarHBondContact O-N 2.9Å
74	L	85.3	Confident	79.7	Confident	78 Å²	78	48.1 Å²	48.1	41%	0.408	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-48.1	174.8	-174.6	135.7	0	0	0	112.1	Y70 A71 I72 M76 R77 V78	Y70-L74 WeakPolarHBondContact O-CB 3.16Å; Y70-L74 PolarHBondContact O-N 3.24Å; A71-L74 PolarHBondContact O-N 3.25Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.4Å; L74-M76 VanDerWaalsContact C-N 3.32Å; L74-M76 PolarHBondContact O-N 3.46Å; L74-R77 PolarHBondContact O-N 3.04Å; L74-V78 WeakPolarHBondContact O-CG2 3.25Å; L74-V78 PolarHBondContact O-N 3.39Å
75	V	86.9	Confident	81.1	Confident	44 Å²	44	48 Å²	48	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-41.2	177.7	-178.7	0	0	0	0	110.7	I49 A71 I72 R77 V78 C79	I49-V75 HydrophobicContact CD1-CG1 3.98Å; I49-V75 HydrophobicContact CG1-CB 4.39Å; I49-V75 HydrophobicContact CG1-CG1 3.94Å; A71-V75 WeakPolarHBondContact O-CG2 3.24Å; A71-V75 PolarHBondContact O-N 3.01Å; I72-V75 PolarHBondContact O-N 2.73Å; V75-R77 PolarHBondContact O-N 3.14Å; V75-V78 PolarHBondContact O-N 3.12Å; V75-C79 WeakPolarHBondContact O-CB 3.29Å; V75-C79 PolarHBondContact O-N 3.24Å; V75-C79 PolarHBondContact O-SG 3.2Å
76	M	87.8	Confident	82.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-44.1	176.5	-171.2	72.4	154.9	0	0	111.9	I49 I72 G73 L74 V78 C79 Q80 L113 F133 W136 N137	I49-M76 HydrophobicContact CD1-CB 4.26Å; I49-M76 HydrophobicContact CD1-SD 3.84Å; I49-M76 HydrophobicContact CG2-SD 4.39Å; I72-M76 WeakPolarHBondContact O-CB 3.5Å; I72-M76 PolarHBondContact O-N 3.45Å; G73-M76 PolarHBondContact O-N 2.94Å; L74-M76 VanDerWaalsContact C-N 3.32Å; L74-M76 PolarHBondContact O-N 3.46Å; M76-V78 VanDerWaalsContact C-N 3.34Å; M76-V78 PolarHBondContact O-N 3Å; M76-C79 PolarHBondContact O-N 2.88Å; M76-Q80 VanDerWaalsContact O-CB 3.25Å; M76-Q80 WeakPolarHBondContact O-CB 3.44Å; M76-Q80 PolarHBondContact O-N 3.07Å; M76-L113 HydrophobicContact CG-CD1 4.03Å; M76-L113 HydrophobicContact CG-CD2 4.08Å; M76-F133 HydrophobicContact CB-CD1 4.39Å; M76-F133 HydrophobicContact CB-CE1 3.77Å; M76-F133 HydrophobicContact CE-CD1 3.81Å; M76-F133 HydrophobicContact CE-CE1 4.18Å; M76-F133 HydrophobicContact CE-CG 4.41Å; M76-F133 HydrophobicContact CG-CD1 3.97Å; M76-F133 HydrophobicContact CG-CE1 3.51Å; M76-F133 HydrophobicContact CG-CZ 4.43Å; M76-F133 HydrophobicContact SD-CD1 4.14Å; M76-F133 HydrophobicContact SD-CE1 4.3Å; M76-W136 HydrophobicContact CE-CB 4.07Å; M76-W136 HydrophobicContact CE-CD2 4.48Å; M76-W136 HydrophobicContact CE-CE3 3.62Å; M76-W136 HydrophobicContact CE-CZ3 4.45Å; M76-N137 VanDerWaalsContact CE-ND2 3.27Å; M76-N137 WeakPolarHBondContact CE-ND2 3.38Å; M76-N137 PolarHBondContact SD-ND2 3.18Å; M76-N137 VanDerWaalsContact SD-ND2 3.43Å
77	R	86.8	Confident	83.3	Confident	49 Å²	49	44.4 Å²	44.4	19%	0.185	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-46.2	175.6	-74.5	-174.9	-60.7	-100.5	3.8	111.2	G73 L74 V75 Q80 S81 L113 F114	G73-R77 WeakPolarHBondContact O-CG 3.5Å; G73-R77 PolarHBondContact O-N 2.9Å; L74-R77 PolarHBondContact O-N 3.04Å; V75-R77 PolarHBondContact O-N 3.14Å; R77-Q80 PolarHBondContact O-N 3.36Å; R77-S81 WeakPolarHBondContact O-CB 3.37Å; R77-S81 PolarHBondContact O-N 3.47Å; R77-S81 PolarHBondContact O-OG 3.16Å; R77-S81 VanDerWaalsContact O-OG 3.08Å; R77-L113 HydrophobicContact CG-CD2 4.03Å; R77-L113 HydrophobicContact CG-CG 4.37Å; R77-F114 HydrophobicContact CB-CE1 4.42Å; R77-F114 HydrophobicContact CB-CZ 3.99Å; R77-F114 HydrophobicContact CG-CE1 4.03Å; R77-F114 HydrophobicContact CG-CE2 4.47Å; R77-F114 HydrophobicContact CG-CZ 3.91Å
78	V	89.1	Confident	84	Confident	76 Å²	76	41.5 Å²	41.5	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-49.4	178	172.9	0	0	0	0	111.1	L74 V75 M76 Q80 S81 I82	L74-V78 WeakPolarHBondContact O-CG2 3.25Å; L74-V78 PolarHBondContact O-N 3.39Å; V75-V78 PolarHBondContact O-N 3.12Å; M76-V78 VanDerWaalsContact C-N 3.34Å; M76-V78 PolarHBondContact O-N 3Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 2.93Å; V78-S81 PolarHBondContact O-N 3.15Å; V78-I82 HydrophobicContact CG1-CD1 3.76Å; V78-I82 HydrophobicContact CG1-CG1 4.42Å; V78-I82 VanDerWaalsContact O-CG1 3.27Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 3.08Å
79	C	88	Confident	84.7	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-46.5	176.6	-76.9	0	0	0	0	111.4	Q42 I49 V75 M76 S81 I82 S83	Q42-C79 PolarHBondContact NE2-O 3.46Å; I49-C79 HydrophobicContact CD1-CB 4.42Å; V75-C79 WeakPolarHBondContact O-CB 3.29Å; V75-C79 PolarHBondContact O-N 3.24Å; V75-C79 PolarHBondContact O-SG 3.2Å; M76-C79 PolarHBondContact O-N 2.88Å; C79-S81 PolarHBondContact O-N 3.48Å; C79-I82 PolarHBondContact O-N 3.39Å; C79-S83 PolarHBondContact O-N 2.74Å; C79-S83 PolarHBondContact O-OG 2.83Å
80	Q	88.3	Confident	85.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-39.6	179.8	-162	68.4	17.2	0	0	112.3	M76 R77 V78 S83 L84 V110 L113	M76-Q80 VanDerWaalsContact O-CB 3.25Å; M76-Q80 WeakPolarHBondContact O-CB 3.44Å; M76-Q80 PolarHBondContact O-N 3.07Å; R77-Q80 PolarHBondContact O-N 3.36Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 2.93Å; Q80-S83 WeakPolarHBondContact O-CB 3.46Å; Q80-S83 PolarHBondContact O-N 3.04Å; Q80-L84 PolarHBondContact O-N 3.46Å; Q80-V110 HydrophobicContact CG-CG2 3.65Å; Q80-L113 HydrophobicContact CB-CD2 4.01Å; Q80-L113 HydrophobicContact CG-CD2 4.21Å
81	S	86.2	Confident	85.3	Confident	58 Å²	58	42 Å²	42	41%	0.406	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-42.1	173.3	-65.3	0	0	0	0	111.8	R77 V78 C79 S83 L84	R77-S81 WeakPolarHBondContact O-CB 3.37Å; R77-S81 PolarHBondContact O-N 3.47Å; R77-S81 PolarHBondContact O-OG 3.16Å; R77-S81 VanDerWaalsContact O-OG 3.08Å; V78-S81 PolarHBondContact O-N 3.15Å; C79-S81 PolarHBondContact O-N 3.48Å; S81-S83 VanDerWaalsContact C-N 3.25Å; S81-S83 PolarHBondContact O-N 3.44Å; S81-L84 VanDerWaalsContact O-CB 3.31Å; S81-L84 WeakPolarHBondContact O-CB 3.23Å; S81-L84 PolarHBondContact O-N 3.28Å; S81-L84 VanDerWaalsContact O-N 3.12Å
82	I	88.7	Confident	85.2	Confident	52 Å²	52	44.6 Å²	44.6	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-63	-36.2	174.7	-64.8	167.2	0	0	0	109.9	Y38 Q42 V78 C79 L84 L85	Y38-I82 HydrophobicContact CD2-CG2 4.34Å; Y38-I82 HydrophobicContact CE2-CG2 3.58Å; Y38-I82 PolarHBondContact OH-O 2.96Å; Q42-I82 HydrophobicContact CG-CG2 4.31Å; Q42-I82 VanDerWaalsContact NE2-CG2 3.28Å; V78-I82 HydrophobicContact CG1-CD1 3.76Å; V78-I82 HydrophobicContact CG1-CG1 4.42Å; V78-I82 VanDerWaalsContact O-CG1 3.27Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 3.08Å; C79-I82 PolarHBondContact O-N 3.39Å; I82-L84 PolarHBondContact O-N 2.96Å; I82-L85 HydrophobicContact CG2-CD1 4.38Å; I82-L85 VanDerWaalsContact O-CB 3.23Å; I82-L85 WeakPolarHBondContact O-CB 3.47Å; I82-L85 PolarHBondContact O-N 3.47Å
83	S	86.4	Confident	84.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-21	176.8	-53	0	0	0	0	113.1	Q42 C79 Q80 S81 L85 E86 Y144	Q42-S83 PolarHBondContact NE2-OG 3.47Å; C79-S83 PolarHBondContact O-N 2.74Å; C79-S83 PolarHBondContact O-OG 2.83Å; Q80-S83 WeakPolarHBondContact O-CB 3.46Å; Q80-S83 PolarHBondContact O-N 3.04Å; S81-S83 VanDerWaalsContact C-N 3.25Å; S81-S83 PolarHBondContact O-N 3.44Å; S83-L85 VanDerWaalsContact C-N 3.26Å; S83-L85 PolarHBondContact O-N 3.44Å; S83-E86 WeakPolarHBondContact O-CB 3.39Å; S83-E86 PolarHBondContact O-N 3.48Å; S83-Y144 PolarHBondContact OG-OH 3.41Å
84	L	84.6	Confident	83.9	Confident	70 Å²	70	49.9 Å²	49.9	37%	0.366	27%	0.269	S	S	.	.	H	α-helix	trans	-68.4	-24.9	171.7	-62.8	174.1	0	0	0	112.5	Q80 S81 I82 E86 L87 L88 L106 V110	Q80-L84 PolarHBondContact O-N 3.46Å; S81-L84 VanDerWaalsContact O-CB 3.31Å; S81-L84 WeakPolarHBondContact O-CB 3.23Å; S81-L84 PolarHBondContact O-N 3.28Å; S81-L84 VanDerWaalsContact O-N 3.12Å; I82-L84 PolarHBondContact O-N 2.96Å; L84-E86 PolarHBondContact O-N 3.34Å; L84-L87 HydrophobicContact CD2-CD1 3.93Å; L84-L87 WeakPolarHBondContact O-CB 3.34Å; L84-L87 PolarHBondContact O-N 3.35Å; L84-L88 PolarHBondContact O-N 3.46Å; L84-L106 HydrophobicContact CD2-CB 4.38Å; L84-V110 HydrophobicContact CD2-CG2 4.38Å
85	L	85.2	Confident	83.1	Confident	73 Å²	73	47.8 Å²	47.8	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-24	173.2	-63.7	172.3	0	0	0	111.9	Y38 I82 S83 L87 L88 H89	Y38-L85 HydrophobicContact CE2-CB 4.28Å; I82-L85 HydrophobicContact CG2-CD1 4.38Å; I82-L85 VanDerWaalsContact O-CB 3.23Å; I82-L85 WeakPolarHBondContact O-CB 3.47Å; I82-L85 PolarHBondContact O-N 3.47Å; S83-L85 VanDerWaalsContact C-N 3.26Å; S83-L85 PolarHBondContact O-N 3.44Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.09Å; L85-L88 HydrophobicContact CD2-CD2 4.4Å; L85-L88 WeakPolarHBondContact O-CB 3.32Å; L85-L88 PolarHBondContact O-N 2.91Å; L85-L88 VanDerWaalsContact O-N 3.15Å; L85-H89 PolarHBondContact O-CD2 2.84Å; L85-H89 VanDerWaalsContact O-CD2 3.3Å; L85-H89 PolarHBondContact O-N 3.42Å
86	E	84.6	Confident	81.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-38.9	173.2	-163	-177.6	139.8	0	0	111.5	S83 L84 L88 H89 I90 R102 R143	S83-E86 WeakPolarHBondContact O-CB 3.39Å; S83-E86 PolarHBondContact O-N 3.48Å; L84-E86 PolarHBondContact O-N 3.34Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.41Å; E86-H89 PolarHBondContact O-N 3.15Å; E86-H89 VanDerWaalsContact O-N 3.16Å; E86-I90 HydrophobicContact CG-CD1 4.48Å; E86-I90 VanDerWaalsContact O-CG1 3.3Å; E86-I90 WeakPolarHBondContact O-CG1 3.01Å; E86-I90 PolarHBondContact O-N 3.29Å; E86-R102 IonicContact OE1-NE 2.74Å; E86-R102 PolarHBondContact OE1-NE 3.31Å; E86-R102 IonicContact OE2-NH2 3.59Å; E86-R143 IonicContact OE1-CZ 3.82Å; E86-R143 IonicContact OE1-NH1 3.3Å; E86-R143 PolarHBondContact OE1-NH1 3.45Å; E86-R143 IonicContact OE1-NH2 3.17Å; E86-R143 IonicContact OE2-CZ 3.68Å; E86-R143 VanDerWaalsContact OE2-CZ 3.3Å; E86-R143 IonicContact OE2-NH1 3.49Å; E86-R143 PolarHBondContact OE2-NH1 3.38Å; E86-R143 IonicContact OE2-NH2 3.58Å; E86-R143 PolarHBondContact OE2-NH2 2.97Å
87	L	83.8	Confident	81	Confident	25 Å²	25	55.9 Å²	55.9	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-38.6	173.8	-77.9	154.4	0	0	0	111.2	L84 L85 I90 Y91 F103 L106	L84-L87 HydrophobicContact CD2-CD1 3.93Å; L84-L87 WeakPolarHBondContact O-CB 3.34Å; L84-L87 PolarHBondContact O-N 3.35Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.09Å; L87-I90 PolarHBondContact O-N 2.77Å; L87-Y91 VanDerWaalsContact O-CB 3.25Å; L87-Y91 WeakPolarHBondContact O-CB 3.34Å; L87-Y91 PolarHBondContact O-N 3.35Å; L87-F103 HydrophobicContact CD1-CD2 4.06Å; L87-F103 HydrophobicContact CD2-CB 3.63Å; L87-F103 HydrophobicContact CD2-CD2 4.05Å; L87-F103 HydrophobicContact CD2-CG 4.35Å; L87-L106 HydrophobicContact CD1-CB 4.12Å; L87-L106 HydrophobicContact CD1-CD1 3.55Å; L87-L106 HydrophobicContact CD1-CG 4.49Å; L87-L106 HydrophobicContact CG-CD1 3.81Å
88	L	83.8	Confident	80.3	Confident	83 Å²	83	59.2 Å²	59.2	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-40.9	175	-173.2	68.3	0	0	0	111.3	L84 L85 E86 Y91 I92	L84-L88 PolarHBondContact O-N 3.46Å; L85-L88 HydrophobicContact CD2-CD2 4.4Å; L85-L88 WeakPolarHBondContact O-CB 3.32Å; L85-L88 PolarHBondContact O-N 2.91Å; L85-L88 VanDerWaalsContact O-N 3.15Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.41Å; L88-Y91 PolarHBondContact O-N 2.89Å; L88-I92 HydrophobicContact CD1-CD1 4.02Å; L88-I92 HydrophobicContact CD1-CG1 4.39Å; L88-I92 HydrophobicContact CD2-CD1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.77Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.44Å
89	H	84.8	Confident	79.7	Confident	9 Å²	9	59 Å²	59	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-42.7	176.8	-62.2	161.6	0	0	0	112.1	Y34 L85 E86 G93 I94	Y34-H89 AromaticContact CE1-CE1 3.72Å; Y34-H89 AromaticContact CE1-NE2 3.71Å; Y34-H89 AromaticContact CZ-NE2 3.94Å; Y34-H89 PolarHBondContact OH-NE2 3.13Å; L85-H89 PolarHBondContact O-CD2 2.84Å; L85-H89 VanDerWaalsContact O-CD2 3.3Å; L85-H89 PolarHBondContact O-N 3.42Å; E86-H89 PolarHBondContact O-N 3.15Å; E86-H89 VanDerWaalsContact O-N 3.16Å; H89-G93 PolarHBondContact O-N 2.68Å; H89-I94 HydrophobicContact CB-CB 4.33Å; H89-I94 WeakPolarHBondContact O-CB 3.41Å; H89-I94 PolarHBondContact O-N 3.21Å
90	I	83.6	Confident	78.9	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-69.2	-38.1	176.6	-54.6	162.6	0	0	0	110.1	E86 L87 G93 E95 N97 L99 R102	E86-I90 HydrophobicContact CG-CD1 4.48Å; E86-I90 VanDerWaalsContact O-CG1 3.3Å; E86-I90 WeakPolarHBondContact O-CG1 3.01Å; E86-I90 PolarHBondContact O-N 3.29Å; L87-I90 PolarHBondContact O-N 2.77Å; I90-G93 WeakPolarHBondContact O-CA 3.25Å; I90-G93 PolarHBondContact O-N 3.07Å; I90-E95 HydrophobicContact CG1-CB 4.11Å; I90-E95 WeakPolarHBondContact CG2-O 3.37Å; I90-N97 HydrophobicContact CD1-CB 3.98Å; I90-N97 HydrophobicContact CG1-CB 4.2Å; I90-N97 HydrophobicContact CG2-CB 4.47Å; I90-N97 WeakPolarHBondContact CG2-O 3.49Å; I90-L99 HydrophobicContact CB-CD2 3.4Å; I90-L99 HydrophobicContact CB-CG 4.2Å; I90-L99 HydrophobicContact CG2-CB 4.44Å; I90-L99 HydrophobicContact CG2-CD1 4.4Å; I90-L99 HydrophobicContact CG2-CD2 3.18Å; I90-L99 HydrophobicContact CG2-CG 3.4Å; I90-R102 HydrophobicContact CD1-CB 4.43Å; I90-R102 HydrophobicContact CD1-CG 4.25Å
91	Y	79.3	Confident	78.3	Confident	183 Å²	183	67 Å²	67	72%	0.718	36%	0.36	S	S	*	.	H	α-helix	trans	-64.8	-41.5	179.6	178.5	-99.9	0	0	0	112.3	L87 L88 G93	L87-Y91 VanDerWaalsContact O-CB 3.25Å; L87-Y91 WeakPolarHBondContact O-CB 3.34Å; L87-Y91 PolarHBondContact O-N 3.35Å; L88-Y91 PolarHBondContact O-N 2.89Å; Y91-G93 PolarHBondContact O-N 3.39Å
92	I	80.3	Confident	78	Confident	105 Å²	105	65 Å²	65	54%	0.538	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.6	174.4	-63	168.7	0	0	0	111.2	L88 I94	L88-I92 HydrophobicContact CD1-CD1 4.02Å; L88-I92 HydrophobicContact CD1-CG1 4.39Å; L88-I92 HydrophobicContact CD2-CD1 4.4Å; L88-I92 HydrophobicContact CG-CD1 3.77Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.44Å; I92-I94 HydrophobicContact CB-CD1 4.44Å; I92-I94 HydrophobicContact CB-CG1 4.28Å; I92-I94 HydrophobicContact CG2-CD1 4.14Å; I92-I94 HydrophobicContact CG2-CG1 3.95Å
93	G	70.3	Confident	77.5	Confident	59 Å²	59	67.4 Å²	67.4	61%	0.608	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	22	-179.1	0	0	0	0	0	113.4	H89 I90 Y91 E95	H89-G93 PolarHBondContact O-N 2.68Å; I90-G93 WeakPolarHBondContact O-CA 3.25Å; I90-G93 PolarHBondContact O-N 3.07Å; Y91-G93 PolarHBondContact O-N 3.39Å; G93-E95 VanDerWaalsContact C-N 3.32Å
94	I	69.4	Low	77.2	Confident	63 Å²	63	70.5 Å²	70.5	32%	0.323	37%	0.369	S	S	.	.	S	Bend	trans	-69.7	-36.2	171.9	-61.7	176.2	0	0	0	109.9	L35 H89 I92	L35-I94 HydrophobicContact CD1-CG2 3.88Å; L35-I94 HydrophobicContact CD2-CG2 4.19Å; L35-I94 HydrophobicContact CG-CG2 4.37Å; H89-I94 HydrophobicContact CB-CB 4.33Å; H89-I94 WeakPolarHBondContact O-CB 3.41Å; H89-I94 PolarHBondContact O-N 3.21Å; I92-I94 HydrophobicContact CB-CD1 4.44Å; I92-I94 HydrophobicContact CB-CG1 4.28Å; I92-I94 HydrophobicContact CG2-CD1 4.14Å; I92-I94 HydrophobicContact CG2-CG1 3.95Å
95	E	67.7	Low	77	Confident	34 Å²	34	67.8 Å²	67.8	16%	0.159	35%	0.354	C	S	.	.	S	Bend	trans	-121.5	130.9	179.6	-168.5	166.2	-169.1	0	0	110.8	Y39 I90 G93 N97	Y39-E95 PolarHBondContact OH-OE1 3.45Å; Y39-E95 PolarHBondContact OH-OE2 3.21Å; I90-E95 HydrophobicContact CG1-CB 4.11Å; I90-E95 WeakPolarHBondContact CG2-O 3.37Å; G93-E95 VanDerWaalsContact C-N 3.32Å; E95-N97 HydrophobicContact CG-CB 4.34Å; E95-N97 PolarHBondContact O-N 3.48Å; E95-N97 VanDerWaalsContact O-N 3.08Å
96	S	60.2	Low	76.9	Confident	129 Å²	129	64.4 Å²	64.4	90%	0.902	34%	0.336	S	S	*	.			trans	-86.3	39.3	-175.4	62.8	0	0	0	0	112.9
97	N	69.4	Low	76.7	Confident	87 Å²	87	66.4 Å²	66.4	47%	0.465	35%	0.349	S	S	.	.	S	Bend	trans	-90	160	179.1	-113.3	-12.2	0	0	0	111.6	I90 E95 L99	I90-N97 HydrophobicContact CD1-CB 3.98Å; I90-N97 HydrophobicContact CG1-CB 4.2Å; I90-N97 HydrophobicContact CG2-CB 4.47Å; I90-N97 WeakPolarHBondContact CG2-O 3.49Å; E95-N97 HydrophobicContact CG-CB 4.34Å; E95-N97 PolarHBondContact O-N 3.48Å; E95-N97 VanDerWaalsContact O-N 3.08Å; N97-L99 PolarHBondContact O-N 2.87Å; N97-L99 VanDerWaalsContact O-N 3.16Å
98	Q	73.9	Confident	76.6	Confident	118 Å²	118	65.9 Å²	65.9	55%	0.551	35%	0.346	S	S	*	.			trans	-72.9	110.2	176.9	-65.4	-168.5	-26.2	0	0	110	F100 P101 K232	Q98-F100 PolarHBondContact O-N 3.45Å; Q98-P101 HydrophobicContact CB-CG 3.53Å; Q98-P101 WeakPolarHBondContact O-CD 3.3Å; Q98-P101 WeakPolarHBondContact O-CG 3.47Å; Q98-K232 VanDerWaalsContact NE2-NZ 3.15Å
99	L	74.6	Confident	76.6	Confident	71 Å²	71	62 Å²	62	37%	0.372	33%	0.326	S	S	.	.	H	α-helix	trans	-54.4	-52.5	-179.8	-78.6	169.5	0	0	0	113.2	I90 N97 R102 F103	I90-L99 HydrophobicContact CB-CD2 3.4Å; I90-L99 HydrophobicContact CB-CG 4.2Å; I90-L99 HydrophobicContact CG2-CB 4.44Å; I90-L99 HydrophobicContact CG2-CD1 4.4Å; I90-L99 HydrophobicContact CG2-CD2 3.18Å; I90-L99 HydrophobicContact CG2-CG 3.4Å; N97-L99 PolarHBondContact O-N 2.87Å; N97-L99 VanDerWaalsContact O-N 3.16Å; L99-R102 PolarHBondContact O-N 3.01Å; L99-F103 WeakPolarHBondContact O-CB 3.44Å; L99-F103 PolarHBondContact O-N 2.94Å
100	F	71.3	Confident	76.6	Confident	145 Å²	145	63.2 Å²	63.2	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-59.4	-53.3	-170.1	-173.6	-102.3	0	0	0	114.5	Q98 R102 F103 L104	Q98-F100 PolarHBondContact O-N 3.45Å; F100-R102 VanDerWaalsContact C-N 3.26Å; F100-R102 PolarHBondContact O-N 3.42Å; F100-F103 PolarHBondContact O-N 3.44Å; F100-L104 HydrophobicContact CD1-CD1 3.96Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE1-CG 4.39Å; F100-L104 HydrophobicContact CE2-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD1 3.55Å; F100-L104 HydrophobicContact CZ-CG 4.3Å; F100-L104 PolarHBondContact O-N 3.49Å; F100-L104 VanDerWaalsContact O-N 3.09Å
101	P	75.9	Confident	76.5	Confident	35 Å²	35	66.2 Å²	66.2	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-32.2	178.2	25.3	-34.7	0	0	0	112.3	Q98 Q105 M225	Q98-P101 HydrophobicContact CB-CG 3.53Å; Q98-P101 WeakPolarHBondContact O-CD 3.3Å; Q98-P101 WeakPolarHBondContact O-CG 3.47Å; P101-Q105 WeakPolarHBondContact O-CB 3.17Å; P101-Q105 PolarHBondContact O-N 2.76Å; P101-Q105 VanDerWaalsContact O-N 3.1Å; P101-M225 HydrophobicContact CB-CE 4.3Å; P101-M225 HydrophobicContact CB-SD 3.83Å
102	R	79.8	Confident	76.6	Confident	16 Å²	16	57.5 Å²	57.5	6%	0.06	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-38.7	178.1	-167.7	65.7	-168.9	153.2	7.2	111.9	E86 I90 L99 F100 Q105 L106 D140	E86-R102 IonicContact OE1-NE 2.74Å; E86-R102 PolarHBondContact OE1-NE 3.31Å; E86-R102 IonicContact OE2-NH2 3.59Å; I90-R102 HydrophobicContact CD1-CB 4.43Å; I90-R102 HydrophobicContact CD1-CG 4.25Å; L99-R102 PolarHBondContact O-N 3.01Å; F100-R102 VanDerWaalsContact C-N 3.26Å; F100-R102 PolarHBondContact O-N 3.42Å; R102-Q105 VanDerWaalsContact NH1-OE1 3.08Å; R102-Q105 PolarHBondContact O-N 2.82Å; R102-L106 HydrophobicContact CG-CD1 4.04Å; R102-L106 WeakPolarHBondContact O-CB 3.23Å; R102-L106 WeakPolarHBondContact O-CG 3.48Å; R102-L106 PolarHBondContact O-N 3.45Å; R102-D140 IonicContact NH2-OD1 3.35Å; R102-D140 PolarHBondContact NH2-OD1 2.89Å
103	F	79.8	Confident	76.8	Confident	103 Å²	103	52.6 Å²	52.6	45%	0.452	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-47.3	176.7	175.6	-101.5	0	0	0	111.9	L87 L99 F100 L106 T107	L87-F103 HydrophobicContact CD1-CD2 4.06Å; L87-F103 HydrophobicContact CD2-CB 3.63Å; L87-F103 HydrophobicContact CD2-CD2 4.05Å; L87-F103 HydrophobicContact CD2-CG 4.35Å; L99-F103 WeakPolarHBondContact O-CB 3.44Å; L99-F103 PolarHBondContact O-N 2.94Å; F100-F103 PolarHBondContact O-N 3.44Å; F103-L106 PolarHBondContact O-N 3.44Å; F103-T107 WeakPolarHBondContact CE2-OG1 3.42Å; F103-T107 WeakPolarHBondContact CZ-OG1 3.4Å; F103-T107 WeakPolarHBondContact O-CB 3.4Å; F103-T107 PolarHBondContact O-N 2.82Å; F103-T107 PolarHBondContact O-OG1 3.17Å
104	L	79.3	Confident	77.3	Confident	64 Å²	64	53.7 Å²	53.7	34%	0.335	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-46.1	176.8	-72.8	177.1	0	0	0	111	F100 L106 T107 E108 M225	F100-L104 HydrophobicContact CD1-CD1 3.96Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE1-CG 4.39Å; F100-L104 HydrophobicContact CE2-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD1 3.55Å; F100-L104 HydrophobicContact CZ-CG 4.3Å; F100-L104 PolarHBondContact O-N 3.49Å; F100-L104 VanDerWaalsContact O-N 3.09Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 2.74Å; L104-T107 PolarHBondContact O-N 3.17Å; L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.15Å; L104-E108 PolarHBondContact O-N 2.97Å; L104-M225 HydrophobicContact CB-CE 3.86Å; L104-M225 HydrophobicContact CD1-CE 3.46Å; L104-M225 VanDerWaalsContact CD1-CE 3.46Å; L104-M225 HydrophobicContact CG-CE 4.31Å
105	Q	79.9	Confident	77.5	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.065	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-31.8	-179.1	-164.1	-177	18.2	0	0	114	P101 R102 E108 R109	P101-Q105 WeakPolarHBondContact O-CB 3.17Å; P101-Q105 PolarHBondContact O-N 2.76Å; P101-Q105 VanDerWaalsContact O-N 3.1Å; R102-Q105 VanDerWaalsContact NH1-OE1 3.08Å; R102-Q105 PolarHBondContact O-N 2.82Å; Q105-E108 WeakPolarHBondContact CA-OE1 3.18Å; Q105-E108 WeakPolarHBondContact CG-OE1 3.39Å; Q105-E108 VanDerWaalsContact O-CG 3.3Å; Q105-E108 WeakPolarHBondContact O-CG 3.49Å; Q105-R109 WeakPolarHBondContact O-CD 3.21Å; Q105-R109 VanDerWaalsContact O-CG 3.32Å; Q105-R109 WeakPolarHBondContact O-CG 3.42Å
106	L	82.9	Confident	77.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-80.5	-44.4	176.4	-77.8	171.5	0	0	0	111.7	L84 L87 R102 F103 L104 E108 R109 V110	L84-L106 HydrophobicContact CD2-CB 4.38Å; L87-L106 HydrophobicContact CD1-CB 4.12Å; L87-L106 HydrophobicContact CD1-CD1 3.55Å; L87-L106 HydrophobicContact CD1-CG 4.49Å; L87-L106 HydrophobicContact CG-CD1 3.81Å; R102-L106 HydrophobicContact CG-CD1 4.04Å; R102-L106 WeakPolarHBondContact O-CB 3.23Å; R102-L106 WeakPolarHBondContact O-CG 3.48Å; R102-L106 PolarHBondContact O-N 3.45Å; F103-L106 PolarHBondContact O-N 3.44Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 2.74Å; L106-E108 VanDerWaalsContact C-N 3.27Å; L106-E108 PolarHBondContact O-N 3.43Å; L106-R109 PolarHBondContact O-N 2.87Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.49Å
107	T	80.8	Confident	78.6	Confident	43 Å²	43	44.1 Å²	44.1	26%	0.264	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-41.7	178.7	-59.4	0	0	0	0	110.7	F103 L104 R109 V110 I111	F103-T107 WeakPolarHBondContact CE2-OG1 3.42Å; F103-T107 WeakPolarHBondContact CZ-OG1 3.4Å; F103-T107 WeakPolarHBondContact O-CB 3.4Å; F103-T107 PolarHBondContact O-N 2.82Å; F103-T107 PolarHBondContact O-OG1 3.17Å; L104-T107 PolarHBondContact O-N 3.17Å; T107-R109 PolarHBondContact O-N 2.9Å; T107-V110 PolarHBondContact O-N 2.74Å; T107-I111 HydrophobicContact CG2-CD1 3.75Å; T107-I111 HydrophobicContact CG2-CG1 4.38Å; T107-I111 VanDerWaalsContact O-CG1 3.29Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.35Å
108	E	81.5	Confident	79	Confident	13 Å²	13	42.4 Å²	42.4	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-44.9	-179.7	71.4	-173.8	168.7	0	0	113	L104 Q105 L106 V110 I111 I112 Y214 L218 N222	L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.15Å; L104-E108 PolarHBondContact O-N 2.97Å; Q105-E108 WeakPolarHBondContact CA-OE1 3.18Å; Q105-E108 WeakPolarHBondContact CG-OE1 3.39Å; Q105-E108 VanDerWaalsContact O-CG 3.3Å; Q105-E108 WeakPolarHBondContact O-CG 3.49Å; L106-E108 VanDerWaalsContact C-N 3.27Å; L106-E108 PolarHBondContact O-N 3.43Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 2.99Å; E108-I111 PolarHBondContact O-N 3.16Å; E108-I112 WeakPolarHBondContact O-CG1 2.96Å; E108-I112 PolarHBondContact O-N 2.89Å; E108-Y214 WeakPolarHBondContact CA-OH 3.32Å; E108-Y214 VanDerWaalsContact CB-OH 3.26Å; E108-Y214 WeakPolarHBondContact CB-OH 3.38Å; E108-Y214 PolarHBondContact O-OH 3.08Å; E108-L218 HydrophobicContact CB-CD1 4.31Å; E108-N222 PolarHBondContact OE2-ND2 2.91Å; E108-N222 PolarHBondContact OE2-OD1 3.38Å; E108-N222 VanDerWaalsContact OE2-OD1 3.1Å
109	R	84.9	Confident	78.9	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.011	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-38.1	179.8	-68.4	174.8	174.7	-164.3	-9.8	111.9	Q105 L106 T107 I112 L113 W136 D140	Q105-R109 WeakPolarHBondContact O-CD 3.21Å; Q105-R109 VanDerWaalsContact O-CG 3.32Å; Q105-R109 WeakPolarHBondContact O-CG 3.42Å; L106-R109 PolarHBondContact O-N 2.87Å; T107-R109 PolarHBondContact O-N 2.9Å; R109-I112 PolarHBondContact O-N 3.17Å; R109-L113 WeakPolarHBondContact O-CB 3.37Å; R109-L113 PolarHBondContact O-N 2.83Å; R109-W136 HydrophobicContact CB-CH2 4.36Å; R109-W136 HydrophobicContact CB-CZ2 4.2Å; R109-W136 HydrophobicContact CG-CD2 4.45Å; R109-W136 HydrophobicContact CG-CZ2 3.92Å; R109-D140 IonicContact CZ-OD2 3.84Å; R109-D140 IonicContact NH1-OD1 3.77Å; R109-D140 IonicContact NH1-OD2 2.64Å; R109-D140 PolarHBondContact NH1-OD2 2.84Å
110	V	83.9	Confident	78.7	Confident	33 Å²	33	37 Å²	37	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-45	175.3	170.2	0	0	0	0	110.2	Q80 L84 L106 T107 E108 I112 L113 F114	Q80-V110 HydrophobicContact CG-CG2 3.65Å; L84-V110 HydrophobicContact CD2-CG2 4.38Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.49Å; T107-V110 PolarHBondContact O-N 2.74Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 2.99Å; V110-I112 VanDerWaalsContact C-N 3.34Å; V110-I112 PolarHBondContact O-N 2.71Å; V110-L113 PolarHBondContact O-N 3.45Å; V110-F114 HydrophobicContact CB-CD2 4.49Å; V110-F114 HydrophobicContact CG1-CD2 3.71Å; V110-F114 HydrophobicContact CG1-CE2 4.11Å; V110-F114 WeakPolarHBondContact O-CB 3.32Å; V110-F114 WeakPolarHBondContact O-CD2 3.24Å; V110-F114 PolarHBondContact O-N 3.08Å
111	I	81.3	Confident	78.7	Confident	71 Å²	71	37 Å²	37	36%	0.364	20%	0.197	S	C	.	.	I	π-helix	trans	-60.8	-44.3	177.3	-69.1	167	0	0	0	110.8	T107 E108 G115 Y214	T107-I111 HydrophobicContact CG2-CD1 3.75Å; T107-I111 HydrophobicContact CG2-CG1 4.38Å; T107-I111 VanDerWaalsContact O-CG1 3.29Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.35Å; E108-I111 PolarHBondContact O-N 3.16Å; I111-G115 WeakPolarHBondContact O-CA 3.17Å; I111-G115 PolarHBondContact O-N 3.29Å; I111-Y214 HydrophobicContact CD1-CE2 3.74Å; I111-Y214 HydrophobicContact CG2-CD1 4.43Å; I111-Y214 HydrophobicContact CG2-CE1 3.9Å; I111-Y214 HydrophobicContact CG2-CE2 4.2Å
112	I	82.1	Confident	78.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.21	C	C	.	.	I	π-helix	trans	-67.9	-46.5	178.9	-64.9	171.3	0	0	0	111	E108 R109 V110 V116 I117 L132 W136 E178 Y214 L218	E108-I112 WeakPolarHBondContact O-CG1 2.96Å; E108-I112 PolarHBondContact O-N 2.89Å; R109-I112 PolarHBondContact O-N 3.17Å; V110-I112 VanDerWaalsContact C-N 3.34Å; V110-I112 PolarHBondContact O-N 2.71Å; I112-V116 WeakPolarHBondContact O-CA 3.38Å; I112-V116 WeakPolarHBondContact O-CB 3.43Å; I112-V116 PolarHBondContact O-N 3.45Å; I112-I117 HydrophobicContact CG2-CD1 4.01Å; I112-I117 HydrophobicContact CG2-CG1 4.34Å; I112-I117 PolarHBondContact O-N 2.75Å; I112-L132 HydrophobicContact CG2-CD2 4.5Å; I112-W136 HydrophobicContact CB-CH2 3.95Å; I112-W136 HydrophobicContact CB-CZ2 4.31Å; I112-W136 HydrophobicContact CD1-CZ2 4.39Å; I112-W136 HydrophobicContact CG2-CH2 3.73Å; I112-W136 HydrophobicContact CG2-CZ2 4.17Å; I112-E178 HydrophobicContact CD1-CB 3.93Å; I112-E178 VanDerWaalsContact CD1-CD 3.49Å; I112-E178 HydrophobicContact CD1-CG 3.63Å; I112-Y214 HydrophobicContact CG1-CE1 4.28Å; I112-L218 HydrophobicContact CD1-CD1 4.01Å
113	L	84	Confident	77.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.207	C	C	.	.	I	π-helix	trans	-63.7	-48.1	-177.8	-176.1	70.2	0	0	0	112.3	M76 R77 Q80 R109 V110 T118 F133 W136	M76-L113 HydrophobicContact CG-CD1 4.03Å; M76-L113 HydrophobicContact CG-CD2 4.08Å; R77-L113 HydrophobicContact CG-CD2 4.03Å; R77-L113 HydrophobicContact CG-CG 4.37Å; Q80-L113 HydrophobicContact CB-CD2 4.01Å; Q80-L113 HydrophobicContact CG-CD2 4.21Å; R109-L113 WeakPolarHBondContact O-CB 3.37Å; R109-L113 PolarHBondContact O-N 2.83Å; V110-L113 PolarHBondContact O-N 3.45Å; L113-T118 WeakPolarHBondContact O-CB 3.42Å; L113-T118 PolarHBondContact O-N 3.34Å; L113-T118 PolarHBondContact O-OG1 2.84Å; L113-F133 HydrophobicContact CD1-CE1 4.12Å; L113-F133 HydrophobicContact CD1-CE2 4.43Å; L113-F133 HydrophobicContact CD1-CZ 3.62Å; L113-W136 HydrophobicContact CB-CZ3 4.33Å; L113-W136 HydrophobicContact CD1-CZ3 4.36Å
114	F	80.2	Confident	77.4	Confident	82 Å²	82	36 Å²	36	36%	0.36	19%	0.191	S	C	.	.	I	π-helix	trans	-83.9	-41.4	-178.7	-74.7	-88.6	0	0	0	112.2	R77 V110 T118 S119	R77-F114 HydrophobicContact CB-CE1 4.42Å; R77-F114 HydrophobicContact CB-CZ 3.99Å; R77-F114 HydrophobicContact CG-CE1 4.03Å; R77-F114 HydrophobicContact CG-CE2 4.47Å; R77-F114 HydrophobicContact CG-CZ 3.91Å; V110-F114 HydrophobicContact CB-CD2 4.49Å; V110-F114 HydrophobicContact CG1-CD2 3.71Å; V110-F114 HydrophobicContact CG1-CE2 4.11Å; V110-F114 WeakPolarHBondContact O-CB 3.32Å; V110-F114 WeakPolarHBondContact O-CD2 3.24Å; V110-F114 PolarHBondContact O-N 3.08Å; F114-T118 WeakPolarHBondContact O-CB 3.24Å; F114-S119 PolarHBondContact O-OG 3.18Å
115	G	73.4	Confident	77	Confident	20 Å²	20	39.4 Å²	39.4	21%	0.206	21%	0.206	C	C	.	.	I	π-helix	trans	-79.1	-40.5	-174.2	0	0	0	0	0	114.1	I111 S119	I111-G115 WeakPolarHBondContact O-CA 3.17Å; I111-G115 PolarHBondContact O-N 3.29Å; G115-S119 VanDerWaalsContact O-CB 3.24Å; G115-S119 WeakPolarHBondContact O-CB 3.27Å; G115-S119 PolarHBondContact O-OG 2.87Å
116	V	73.9	Confident	77	Confident	1 Å²	1	42 Å²	42	1%	0.006	22%	0.217	C	C	.	.	I	π-helix	trans	-100.8	-55.6	-175.9	-177.3	0	0	0	0	110.8	I112 Q120 T181 I182 L211	I112-V116 WeakPolarHBondContact O-CA 3.38Å; I112-V116 WeakPolarHBondContact O-CB 3.43Å; I112-V116 PolarHBondContact O-N 3.45Å; V116-Q120 PolarHBondContact O-N 2.92Å; V116-T181 HydrophobicContact CG1-CG2 4.34Å; V116-I182 HydrophobicContact CG2-CG1 4.36Å; V116-L211 HydrophobicContact CG2-CD1 3.75Å; V116-L211 HydrophobicContact CG2-CD2 4.17Å
117	I	78.5	Confident	76.9	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.241	C	C	.	.	I	π-helix	trans	-75.4	-43.5	-168.6	-59.1	175	0	0	0	111.2	I112 Q124 V129 L132 F133 W136 T181	I112-I117 HydrophobicContact CG2-CD1 4.01Å; I112-I117 HydrophobicContact CG2-CG1 4.34Å; I112-I117 PolarHBondContact O-N 2.75Å; I117-Q124 HydrophobicContact CG2-CG 3.88Å; I117-Q124 WeakPolarHBondContact O-CG 3.49Å; I117-Q124 PolarHBondContact O-NE2 3.01Å; I117-V129 HydrophobicContact CD1-CG1 4.28Å; I117-V129 HydrophobicContact CG2-CG1 4.26Å; I117-L132 HydrophobicContact CD1-CD2 4.22Å; I117-F133 HydrophobicContact CD1-CE2 3.75Å; I117-F133 HydrophobicContact CD1-CZ 4.43Å; I117-F133 HydrophobicContact CG2-CE2 3.96Å; I117-F133 HydrophobicContact CG2-CZ 4.07Å; I117-W136 HydrophobicContact CD1-CH2 4.38Å; I117-W136 HydrophobicContact CD1-CZ3 4.33Å; I117-T181 HydrophobicContact CG1-CG2 4.44Å
118	T	77.9	Confident	77.1	Confident	50 Å²	50	45.6 Å²	45.6	31%	0.307	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-29	179.2	-57.1	0	0	0	0	112.3	L113 F114 Q120	L113-T118 WeakPolarHBondContact O-CB 3.42Å; L113-T118 PolarHBondContact O-N 3.34Å; L113-T118 PolarHBondContact O-OG1 2.84Å; F114-T118 WeakPolarHBondContact O-CB 3.24Å; T118-Q120 VanDerWaalsContact C-N 3.32Å; T118-Q120 PolarHBondContact O-N 3.25Å
119	S	70.4	Confident	77.1	Confident	61 Å²	61	45 Å²	45	43%	0.427	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.6	179.9	-56.3	0	0	0	0	114	F114 G115	F114-S119 PolarHBondContact O-OG 3.18Å; G115-S119 VanDerWaalsContact O-CB 3.24Å; G115-S119 WeakPolarHBondContact O-CB 3.27Å; G115-S119 PolarHBondContact O-OG 2.87Å
120	Q	70.8	Confident	77	Confident	15 Å²	15	45.3 Å²	45.3	7%	0.07	24%	0.241	C	C	.	.			trans	-135.4	98.1	-173.8	-62	-64.7	-11.5	0	0	110.7	V116 T118 E122 V123 F189	V116-Q120 PolarHBondContact O-N 2.92Å; T118-Q120 VanDerWaalsContact C-N 3.32Å; T118-Q120 PolarHBondContact O-N 3.25Å; Q120-E122 VanDerWaalsContact C-N 3.27Å; Q120-E122 PolarHBondContact O-N 2.95Å; Q120-V123 HydrophobicContact CB-CB 4.07Å; Q120-V123 HydrophobicContact CB-CG2 3.67Å; Q120-V123 HydrophobicContact CG-CG2 4.43Å; Q120-V123 PolarHBondContact O-N 2.85Å; Q120-F189 HydrophobicContact CG-CE1 4.07Å; Q120-F189 HydrophobicContact CG-CE2 4.12Å; Q120-F189 HydrophobicContact CG-CZ 3.66Å
121	E	70.6	Confident	77.2	Confident	144 Å²	144	46.1 Å²	46.1	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-62.2	-34.9	178.7	-63.5	-175.5	171.4	0	0	111.9	V123 Q124	E121-V123 PolarHBondContact O-N 3.28Å; E121-Q124 VanDerWaalsContact O-CB 3.28Å; E121-Q124 WeakPolarHBondContact O-CB 3.42Å; E121-Q124 PolarHBondContact O-N 3.22Å
122	E	67.5	Low	77.6	Confident	107 Å²	107	42.7 Å²	42.7	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-25.2	178.5	-59	176.7	170.1	0	0	113.4	Q120 Y188	Q120-E122 VanDerWaalsContact C-N 3.27Å; Q120-E122 PolarHBondContact O-N 2.95Å; E122-Y188 HydrophobicContact CB-CE1 4.27Å; E122-Y188 WeakPolarHBondContact OE2-CD1 3.15Å; E122-Y188 WeakPolarHBondContact OE2-CE1 3Å
123	V	71.8	Confident	77.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-80.3	-27.4	176.1	179.3	0	0	0	0	110.5	Q120 E121 E125 K126 V129 T181 Y188	Q120-V123 HydrophobicContact CB-CB 4.07Å; Q120-V123 HydrophobicContact CB-CG2 3.67Å; Q120-V123 HydrophobicContact CG-CG2 4.43Å; Q120-V123 PolarHBondContact O-N 2.85Å; E121-V123 PolarHBondContact O-N 3.28Å; V123-E125 VanDerWaalsContact C-N 3.28Å; V123-E125 PolarHBondContact O-N 3.45Å; V123-K126 WeakPolarHBondContact O-CB 3.32Å; V123-K126 WeakPolarHBondContact O-CG 3.37Å; V123-K126 PolarHBondContact O-N 3.42Å; V123-K126 VanDerWaalsContact O-N 3.17Å; V123-V129 HydrophobicContact CG1-CG2 3.94Å; V123-V129 WeakPolarHBondContact O-CG2 3.4Å; V123-T181 HydrophobicContact CG1-CG2 4.08Å; V123-Y188 HydrophobicContact CG2-CD2 4.04Å; V123-Y188 HydrophobicContact CG2-CE2 4.2Å
124	Q	70.6	Confident	78.1	Confident	26 Å²	26	44.3 Å²	44.3	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-32	-179.4	-59.7	177.7	18	0	0	112.4	F69 I117 E121 K126	F69-Q124 HydrophobicContact CD1-CB 4.25Å; F69-Q124 WeakPolarHBondContact CE1-O 3.25Å; F69-Q124 WeakPolarHBondContact CZ-O 3.19Å; I117-Q124 HydrophobicContact CG2-CG 3.88Å; I117-Q124 WeakPolarHBondContact O-CG 3.49Å; I117-Q124 PolarHBondContact O-NE2 3.01Å; E121-Q124 VanDerWaalsContact O-CB 3.28Å; E121-Q124 WeakPolarHBondContact O-CB 3.42Å; E121-Q124 PolarHBondContact O-N 3.22Å; Q124-K126 PolarHBondContact O-N 2.87Å
125	E	70.9	Confident	78.6	Confident	136 Å²	136	41.1 Å²	41.1	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.4	178.6	-61.4	-168.9	160.4	0	0	113.7	V123	V123-E125 VanDerWaalsContact C-N 3.28Å; V123-E125 PolarHBondContact O-N 3.45Å
126	K	79.9	Confident	79.3	Confident	69 Å²	69	40.3 Å²	40.3	30%	0.3	21%	0.213	S	C	.	.	S	Bend	trans	-74.4	136.5	-177.9	-57.3	-63.7	-177.7	-177.1	0	110.6	V123 Q124 V128 V129 C130	V123-K126 WeakPolarHBondContact O-CB 3.32Å; V123-K126 WeakPolarHBondContact O-CG 3.37Å; V123-K126 PolarHBondContact O-N 3.42Å; V123-K126 VanDerWaalsContact O-N 3.17Å; Q124-K126 PolarHBondContact O-N 2.87Å; K126-V128 PolarHBondContact O-N 2.88Å; K126-V128 VanDerWaalsContact O-N 3.12Å; K126-V129 WeakPolarHBondContact O-CB 3.43Å; K126-V129 PolarHBondContact O-N 3.1Å; K126-C130 PolarHBondContact O-N 3.42Å
127	C	80.2	Confident	80.2	Confident	77 Å²	77	40.2 Å²	40.2	52%	0.52	21%	0.213	S	C	.	.	H	α-helix	trans	-54.9	-34.2	177.1	-175.8	0	0	0	0	113	V129 C130 V131	C127-V129 VanDerWaalsContact C-N 3.29Å; C127-V129 PolarHBondContact O-N 3.36Å; C127-C130 WeakPolarHBondContact O-CB 3.3Å; C127-C130 PolarHBondContact O-N 3.43Å; C127-C130 VanDerWaalsContact O-N 3.16Å; C127-V131 WeakPolarHBondContact O-CG2 3.49Å; C127-V131 PolarHBondContact O-N 3.36Å
128	V	83.8	Confident	80.7	Confident	41 Å²	41	42.4 Å²	42.4	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-39.6	177.3	179.8	0	0	0	0	111.8	K126 V131 L132 F180 Q184	K126-V128 PolarHBondContact O-N 2.88Å; K126-V128 VanDerWaalsContact O-N 3.12Å; V128-V131 PolarHBondContact O-N 3.4Å; V128-L132 WeakPolarHBondContact O-CB 3.32Å; V128-L132 PolarHBondContact O-N 3.18Å; V128-F180 HydrophobicContact CG1-CB 3.76Å; V128-Q184 VanDerWaalsContact CG2-NE2 3.31Å
129	V	82.7	Confident	81.3	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-42.2	177	179.2	0	0	0	0	110.3	I117 V123 K126 C127 V131 L132 F133 T181	I117-V129 HydrophobicContact CD1-CG1 4.28Å; I117-V129 HydrophobicContact CG2-CG1 4.26Å; V123-V129 HydrophobicContact CG1-CG2 3.94Å; V123-V129 WeakPolarHBondContact O-CG2 3.4Å; K126-V129 WeakPolarHBondContact O-CB 3.43Å; K126-V129 PolarHBondContact O-N 3.1Å; C127-V129 VanDerWaalsContact C-N 3.29Å; C127-V129 PolarHBondContact O-N 3.36Å; V129-V131 VanDerWaalsContact C-N 3.33Å; V129-V131 PolarHBondContact O-N 3.02Å; V129-L132 WeakPolarHBondContact O-CB 3.42Å; V129-L132 PolarHBondContact O-N 3.49Å; V129-L132 VanDerWaalsContact O-N 3.15Å; V129-F133 HydrophobicContact CG1-CD2 3.64Å; V129-F133 HydrophobicContact CG1-CE2 3.45Å; V129-F133 VanDerWaalsContact CG1-CE2 3.45Å; V129-F133 VanDerWaalsContact O-CD2 3.24Å; V129-F133 WeakPolarHBondContact O-CD2 3.36Å; V129-F133 PolarHBondContact O-N 3.44Å; V129-T181 HydrophobicContact CG2-CG2 3.72Å
130	C	83.6	Confident	82.1	Confident	10 Å²	10	37.6 Å²	37.6	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-47.5	174.5	-174.2	0	0	0	0	111.8	F69 K126 C127 L132 F133 I134	F69-C130 HydrophobicContact CZ-CB 4.39Å; K126-C130 PolarHBondContact O-N 3.42Å; C127-C130 WeakPolarHBondContact O-CB 3.3Å; C127-C130 PolarHBondContact O-N 3.43Å; C127-C130 VanDerWaalsContact O-N 3.16Å; C130-L132 PolarHBondContact O-N 2.88Å; C130-F133 PolarHBondContact O-N 2.81Å; C130-I134 WeakPolarHBondContact O-CG1 3.35Å; C130-I134 PolarHBondContact O-N 3.34Å
131	V	87.2	Confident	83	Confident	49 Å²	49	39 Å²	39	30%	0.297	20%	0.199	S	C	.	.	H	α-helix	trans	-61	-43.9	175.9	174.9	0	0	0	0	111.2	F57 C127 V128 V129 F133 I134 L135	F57-V131 HydrophobicContact CE2-CG2 3.97Å; C127-V131 WeakPolarHBondContact O-CG2 3.49Å; C127-V131 PolarHBondContact O-N 3.36Å; V128-V131 PolarHBondContact O-N 3.4Å; V129-V131 VanDerWaalsContact C-N 3.33Å; V129-V131 PolarHBondContact O-N 3.02Å; V131-F133 PolarHBondContact O-N 2.84Å; V131-I134 PolarHBondContact O-N 3.07Å; V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 HydrophobicContact CG1-CG 4.3Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 2.66Å
132	L	88.8	Confident	83.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-46.8	177.2	179.3	62.8	0	0	0	112	I112 I117 V128 V129 C130 I134 L135 W136 A177 E178	I112-L132 HydrophobicContact CG2-CD2 4.5Å; I117-L132 HydrophobicContact CD1-CD2 4.22Å; V128-L132 WeakPolarHBondContact O-CB 3.32Å; V128-L132 PolarHBondContact O-N 3.18Å; V129-L132 WeakPolarHBondContact O-CB 3.42Å; V129-L132 PolarHBondContact O-N 3.49Å; V129-L132 VanDerWaalsContact O-N 3.15Å; C130-L132 PolarHBondContact O-N 2.88Å; L132-I134 PolarHBondContact O-N 3.45Å; L132-L135 PolarHBondContact O-N 2.75Å; L132-W136 HydrophobicContact CD1-CD2 4.26Å; L132-W136 HydrophobicContact CD1-CZ2 4.1Å; L132-W136 HydrophobicContact CD2-CH2 4.12Å; L132-W136 HydrophobicContact CD2-CZ2 4.03Å; L132-W136 HydrophobicContact CG-CD2 4.2Å; L132-W136 HydrophobicContact CG-CE3 4.48Å; L132-W136 HydrophobicContact CG-CH2 4.49Å; L132-W136 HydrophobicContact CG-CZ2 4.17Å; L132-W136 PolarHBondContact O-N 3.43Å; L132-A177 HydrophobicContact CB-CB 4.11Å; L132-A177 HydrophobicContact CD1-CB 3.9Å; L132-E178 HydrophobicContact CD1-CG 3.55Å; L132-E178 HydrophobicContact CD2-CG 4.08Å; L132-E178 HydrophobicContact CG-CG 4.47Å
133	F	88.1	Confident	84.8	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-43.8	177.1	-88.5	-111	0	0	0	111.7	M53 M76 L113 I117 V129 C130 V131 L135 W136 N137	M53-F133 HydrophobicContact CE-CD1 4.33Å; M53-F133 HydrophobicContact CE-CG 4.48Å; M53-F133 HydrophobicContact CG-CB 4.49Å; M76-F133 HydrophobicContact CB-CD1 4.39Å; M76-F133 HydrophobicContact CB-CE1 3.77Å; M76-F133 HydrophobicContact CE-CD1 3.81Å; M76-F133 HydrophobicContact CE-CE1 4.18Å; M76-F133 HydrophobicContact CE-CG 4.41Å; M76-F133 HydrophobicContact CG-CD1 3.97Å; M76-F133 HydrophobicContact CG-CE1 3.51Å; M76-F133 HydrophobicContact CG-CZ 4.43Å; M76-F133 HydrophobicContact SD-CD1 4.14Å; M76-F133 HydrophobicContact SD-CE1 4.3Å; L113-F133 HydrophobicContact CD1-CE1 4.12Å; L113-F133 HydrophobicContact CD1-CE2 4.43Å; L113-F133 HydrophobicContact CD1-CZ 3.62Å; I117-F133 HydrophobicContact CD1-CE2 3.75Å; I117-F133 HydrophobicContact CD1-CZ 4.43Å; I117-F133 HydrophobicContact CG2-CE2 3.96Å; I117-F133 HydrophobicContact CG2-CZ 4.07Å; V129-F133 HydrophobicContact CG1-CD2 3.64Å; V129-F133 HydrophobicContact CG1-CE2 3.45Å; V129-F133 VanDerWaalsContact CG1-CE2 3.45Å; V129-F133 VanDerWaalsContact O-CD2 3.24Å; V129-F133 WeakPolarHBondContact O-CD2 3.36Å; V129-F133 PolarHBondContact O-N 3.44Å; C130-F133 PolarHBondContact O-N 2.81Å; V131-F133 PolarHBondContact O-N 2.84Å; F133-L135 VanDerWaalsContact C-N 3.32Å; F133-L135 PolarHBondContact O-N 2.98Å; F133-W136 PolarHBondContact O-N 2.88Å; F133-N137 WeakPolarHBondContact O-CB 3.21Å; F133-N137 PolarHBondContact O-N 2.64Å; F133-N137 PolarHBondContact O-ND2 2.81Å
134	I	89.1	Confident	85.6	Confident	31 Å²	31	29.1 Å²	29.1	16%	0.159	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-47.1	176.4	-71.1	169.1	0	0	0	110.3	L50 M53 F57 C130 V131 L132 N137 L138	L50-I134 HydrophobicContact CD1-CB 4.31Å; L50-I134 HydrophobicContact CD1-CG2 3.84Å; M53-I134 HydrophobicContact CB-CD1 4.37Å; M53-I134 HydrophobicContact CB-CG1 3.82Å; F57-I134 HydrophobicContact CB-CD1 4.25Å; F57-I134 HydrophobicContact CG-CD1 4.42Å; C130-I134 WeakPolarHBondContact O-CG1 3.35Å; C130-I134 PolarHBondContact O-N 3.34Å; V131-I134 PolarHBondContact O-N 3.07Å; L132-I134 PolarHBondContact O-N 3.45Å; I134-N137 PolarHBondContact O-N 3Å; I134-L138 WeakPolarHBondContact O-CB 3.29Å; I134-L138 PolarHBondContact O-N 3.31Å
135	L	90.5	Very high	86.5	Confident	16 Å²	16	29.6 Å²	29.6	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-42.8	-178.8	-66	173.7	0	0	0	112.9	V131 L132 F133 L139 I170 L173	V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 HydrophobicContact CG1-CG 4.3Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 2.66Å; L132-L135 PolarHBondContact O-N 2.75Å; F133-L135 VanDerWaalsContact C-N 3.32Å; F133-L135 PolarHBondContact O-N 2.98Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 PolarHBondContact O-N 3.47Å; L135-L139 VanDerWaalsContact O-N 3.1Å; L135-I170 HydrophobicContact CB-CG2 4.32Å; L135-I170 HydrophobicContact CD2-CG2 4.3Å; L135-L173 HydrophobicContact CD1-CB 4.12Å; L135-L173 HydrophobicContact CD1-CD2 3.56Å; L135-L173 HydrophobicContact CD1-CG 3.59Å; L135-L173 HydrophobicContact CD2-CD2 3.57Å; L135-L173 HydrophobicContact CD2-CG 4.48Å; L135-L173 HydrophobicContact CG-CD2 4.2Å
136	W	89.5	Confident	87.3	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-50.6	175	-79.5	-4.9	0	0	0	111.6	M76 R109 I112 L113 I117 L132 F133 L138 L139 D140 E178	M76-W136 HydrophobicContact CE-CB 4.07Å; M76-W136 HydrophobicContact CE-CD2 4.48Å; M76-W136 HydrophobicContact CE-CE3 3.62Å; M76-W136 HydrophobicContact CE-CZ3 4.45Å; R109-W136 HydrophobicContact CB-CH2 4.36Å; R109-W136 HydrophobicContact CB-CZ2 4.2Å; R109-W136 HydrophobicContact CG-CD2 4.45Å; R109-W136 HydrophobicContact CG-CZ2 3.92Å; I112-W136 HydrophobicContact CB-CH2 3.95Å; I112-W136 HydrophobicContact CB-CZ2 4.31Å; I112-W136 HydrophobicContact CD1-CZ2 4.39Å; I112-W136 HydrophobicContact CG2-CH2 3.73Å; I112-W136 HydrophobicContact CG2-CZ2 4.17Å; L113-W136 HydrophobicContact CB-CZ3 4.33Å; L113-W136 HydrophobicContact CD1-CZ3 4.36Å; I117-W136 HydrophobicContact CD1-CH2 4.38Å; I117-W136 HydrophobicContact CD1-CZ3 4.33Å; L132-W136 HydrophobicContact CD1-CD2 4.26Å; L132-W136 HydrophobicContact CD1-CZ2 4.1Å; L132-W136 HydrophobicContact CD2-CH2 4.12Å; L132-W136 HydrophobicContact CD2-CZ2 4.03Å; L132-W136 HydrophobicContact CG-CD2 4.2Å; L132-W136 HydrophobicContact CG-CE3 4.48Å; L132-W136 HydrophobicContact CG-CH2 4.49Å; L132-W136 HydrophobicContact CG-CZ2 4.17Å; L132-W136 PolarHBondContact O-N 3.43Å; F133-W136 PolarHBondContact O-N 2.88Å; W136-L138 PolarHBondContact O-N 2.92Å; W136-L139 PolarHBondContact O-N 3.41Å; W136-D140 PolarHBondContact O-N 2.76Å; W136-D140 VanDerWaalsContact O-N 3.09Å; W136-E178 HydrophobicContact CZ2-CG 4.12Å; W136-E178 WeakPolarHBondContact CZ2-OE1 3.39Å; W136-E178 PolarHBondContact NE1-OE1 3.38Å
137	N	91.4	Very high	87.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-37.8	-178.9	-76.1	-80.5	0	0	0	112.3	H46 I49 L50 M76 F133 I134 D140 M141	H46-N137 PolarHBondContact ND1-OD1 2.77Å; I49-N137 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N137 WeakPolarHBondContact CG2-OD1 3.3Å; L50-N137 HydrophobicContact CB-CB 4.22Å; L50-N137 HydrophobicContact CD1-CB 4.3Å; M76-N137 VanDerWaalsContact CE-ND2 3.27Å; M76-N137 WeakPolarHBondContact CE-ND2 3.38Å; M76-N137 PolarHBondContact SD-ND2 3.18Å; M76-N137 VanDerWaalsContact SD-ND2 3.43Å; F133-N137 WeakPolarHBondContact O-CB 3.21Å; F133-N137 PolarHBondContact O-N 2.64Å; F133-N137 PolarHBondContact O-ND2 2.81Å; I134-N137 PolarHBondContact O-N 3Å; N137-D140 PolarHBondContact O-N 3.09Å; N137-M141 VanDerWaalsContact O-CB 3.23Å; N137-M141 WeakPolarHBondContact O-CB 3.32Å; N137-M141 PolarHBondContact O-N 3.44Å
138	L	90.4	Very high	88	Confident	50 Å²	50	21.3 Å²	21.3	26%	0.262	11%	0.11	S	C	.	.	H	α-helix	trans	-63	-43.6	176.9	-178.5	61.2	0	0	0	111.7	L50 I134 W136 M141 V142 I170	L50-L138 HydrophobicContact CD1-CB 4.4Å; L50-L138 HydrophobicContact CD2-CD1 4.28Å; I134-L138 WeakPolarHBondContact O-CB 3.29Å; I134-L138 PolarHBondContact O-N 3.31Å; W136-L138 PolarHBondContact O-N 2.92Å; L138-M141 HydrophobicContact CD1-CE 4.26Å; L138-V142 WeakPolarHBondContact O-CG2 3.36Å; L138-V142 PolarHBondContact O-N 3.01Å; L138-I170 HydrophobicContact CD2-CD1 3.78Å; L138-I170 HydrophobicContact CG-CD1 4.13Å
139	L	88.7	Confident	88.1	Confident	9 Å²	9	21 Å²	21	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-44.1	178.6	-169.2	150.7	0	0	0	111.5	L135 W136 R143 I170	L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 PolarHBondContact O-N 3.47Å; L135-L139 VanDerWaalsContact O-N 3.1Å; W136-L139 PolarHBondContact O-N 3.41Å; L139-R143 WeakPolarHBondContact O-CB 3.36Å; L139-R143 PolarHBondContact O-N 3.43Å; L139-I170 HydrophobicContact CB-CG2 4.21Å; L139-I170 HydrophobicContact CD1-CB 4.38Å; L139-I170 HydrophobicContact CD1-CG2 3.8Å
140	D	88.6	Confident	88.1	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-70.5	-38.7	178.4	-80.5	-49.8	0	0	0	112.5	R102 R109 W136 N137 V142 R143 Y144	R102-D140 IonicContact NH2-OD1 3.35Å; R102-D140 PolarHBondContact NH2-OD1 2.89Å; R109-D140 IonicContact CZ-OD2 3.84Å; R109-D140 IonicContact NH1-OD1 3.77Å; R109-D140 IonicContact NH1-OD2 2.64Å; R109-D140 PolarHBondContact NH1-OD2 2.84Å; W136-D140 PolarHBondContact O-N 2.76Å; W136-D140 VanDerWaalsContact O-N 3.09Å; N137-D140 PolarHBondContact O-N 3.09Å; D140-V142 PolarHBondContact O-N 3.45Å; D140-R143 PolarHBondContact O-N 3.31Å; D140-R143 IonicContact OD1-CZ 2.99Å; D140-R143 IonicContact OD1-NE 3.93Å; D140-R143 PolarHBondContact OD1-NE 3.4Å; D140-R143 VanDerWaalsContact OD1-NE 3.17Å; D140-R143 IonicContact OD1-NH2 2.71Å; D140-Y144 HydrophobicContact CB-CD2 4.03Å; D140-Y144 HydrophobicContact CB-CE2 3.76Å; D140-Y144 WeakPolarHBondContact O-CB 3.44Å; D140-Y144 WeakPolarHBondContact O-CD2 3.36Å; D140-Y144 PolarHBondContact O-N 3.45Å
141	M	90.3	Very high	88.2	Confident	43 Å²	43	25.5 Å²	25.5	21%	0.212	14%	0.137	C	C	.	.	H	α-helix	trans	-55.8	-49.2	175.4	-172.9	-169.4	83.5	0	0	111.4	F43 L50 N137 L138 R143 Y144 T145	F43-M141 HydrophobicContact CD2-CG 3.79Å; F43-M141 HydrophobicContact CE2-CG 3.49Å; F43-M141 VanDerWaalsContact CE2-CG 3.49Å; F43-M141 HydrophobicContact CE2-SD 4.28Å; F43-M141 HydrophobicContact CZ-CG 4.44Å; L50-M141 HydrophobicContact CD2-SD 3.97Å; N137-M141 VanDerWaalsContact O-CB 3.23Å; N137-M141 WeakPolarHBondContact O-CB 3.32Å; N137-M141 PolarHBondContact O-N 3.44Å; L138-M141 HydrophobicContact CD1-CE 4.26Å; M141-R143 VanDerWaalsContact C-N 3.33Å; M141-R143 PolarHBondContact O-N 3.27Å; M141-Y144 PolarHBondContact O-N 2.96Å; M141-T145 WeakPolarHBondContact O-CB 3.29Å; M141-T145 PolarHBondContact O-N 2.97Å; M141-T145 PolarHBondContact O-OG1 3.34Å
142	V	87.8	Confident	88	Confident	13 Å²	13	27.8 Å²	27.8	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-39.3	179.1	171.9	0	0	0	0	111.5	L138 D140 Y146 L162 L166	L138-V142 WeakPolarHBondContact O-CG2 3.36Å; L138-V142 PolarHBondContact O-N 3.01Å; D140-V142 PolarHBondContact O-N 3.45Å; V142-Y146 PolarHBondContact O-N 3.35Å; V142-Y146 VanDerWaalsContact O-N 3.07Å; V142-L162 HydrophobicContact CG1-CD2 3.72Å; V142-L162 HydrophobicContact CG2-CD2 4.11Å; V142-L166 HydrophobicContact CB-CD2 4.09Å; V142-L166 HydrophobicContact CG1-CD2 4.23Å; V142-L166 HydrophobicContact CG2-CD1 4.34Å; V142-L166 HydrophobicContact CG2-CD2 3.84Å
143	R	87.8	Confident	87.5	Confident	33 Å²	33	30.9 Å²	30.9	13%	0.125	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-47.6	178.4	-174.2	-172.7	70.3	85.6	-8.2	112.1	E86 L139 D140 M141 T145 Y146 S147	E86-R143 IonicContact OE1-CZ 3.82Å; E86-R143 IonicContact OE1-NH1 3.3Å; E86-R143 PolarHBondContact OE1-NH1 3.45Å; E86-R143 IonicContact OE1-NH2 3.17Å; E86-R143 IonicContact OE2-CZ 3.68Å; E86-R143 VanDerWaalsContact OE2-CZ 3.3Å; E86-R143 IonicContact OE2-NH1 3.49Å; E86-R143 PolarHBondContact OE2-NH1 3.38Å; E86-R143 IonicContact OE2-NH2 3.58Å; E86-R143 PolarHBondContact OE2-NH2 2.97Å; L139-R143 WeakPolarHBondContact O-CB 3.36Å; L139-R143 PolarHBondContact O-N 3.43Å; D140-R143 PolarHBondContact O-N 3.31Å; D140-R143 IonicContact OD1-CZ 2.99Å; D140-R143 IonicContact OD1-NE 3.93Å; D140-R143 PolarHBondContact OD1-NE 3.4Å; D140-R143 VanDerWaalsContact OD1-NE 3.17Å; D140-R143 IonicContact OD1-NH2 2.71Å; M141-R143 VanDerWaalsContact C-N 3.33Å; M141-R143 PolarHBondContact O-N 3.27Å; R143-T145 VanDerWaalsContact C-N 3.3Å; R143-T145 PolarHBondContact O-N 3.42Å; R143-Y146 WeakPolarHBondContact O-CB 3.42Å; R143-Y146 PolarHBondContact O-N 3.22Å; R143-S147 PolarHBondContact O-N 3.09Å; R143-S147 PolarHBondContact O-OG 2.84Å
144	Y	88.9	Confident	86.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-38.5	177.8	-72	-56.2	0	0	0	111.6	Y39 Q42 H46 S83 D140 M141 Y146 S147 M148	Y39-Y144 AromaticContact CD1-CD1 3.69Å; Y39-Y144 HydrophobicContact CD1-CD1 3.69Å; Y39-Y144 HydrophobicContact CD1-CE1 4.06Å; Y39-Y144 HydrophobicContact CE1-CD1 4.44Å; Y39-Y144 HydrophobicContact CG-CD1 4.48Å; Q42-Y144 HydrophobicContact CB-CD1 3.98Å; Q42-Y144 HydrophobicContact CB-CD2 3.93Å; Q42-Y144 HydrophobicContact CB-CE1 3.78Å; Q42-Y144 HydrophobicContact CB-CE2 3.79Å; Q42-Y144 HydrophobicContact CB-CG 4.04Å; Q42-Y144 HydrophobicContact CG-CE1 4Å; Q42-Y144 HydrophobicContact CG-CE2 4.39Å; H46-Y144 AromaticContact CD2-CD2 3.76Å; H46-Y144 AromaticContact CD2-CE2 3.32Å; H46-Y144 WeakPolarHBondContact CD2-CE2 3.38Å; H46-Y144 AromaticContact NE2-CE2 3.47Å; H46-Y144 WeakPolarHBondContact NE2-CE2 3.29Å; S83-Y144 PolarHBondContact OG-OH 3.41Å; D140-Y144 HydrophobicContact CB-CD2 4.03Å; D140-Y144 HydrophobicContact CB-CE2 3.76Å; D140-Y144 WeakPolarHBondContact O-CB 3.44Å; D140-Y144 WeakPolarHBondContact O-CD2 3.36Å; D140-Y144 PolarHBondContact O-N 3.45Å; M141-Y144 PolarHBondContact O-N 2.96Å; Y144-Y146 VanDerWaalsContact C-N 3.34Å; Y144-Y146 PolarHBondContact O-N 3.48Å; Y144-S147 PolarHBondContact O-N 2.89Å; Y144-M148 WeakPolarHBondContact O-CG 3.08Å; Y144-M148 PolarHBondContact O-N 3.39Å
145	T	89.3	Confident	86.2	Confident	35 Å²	35	37 Å²	37	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-46.2	173.7	-49.3	0	0	0	0	111.2	F43 M141 R143 M148 L149 L159	F43-T145 WeakPolarHBondContact CD2-OG1 3.27Å; F43-T145 VanDerWaalsContact CE2-OG1 3.25Å; F43-T145 WeakPolarHBondContact CE2-OG1 3.23Å; M141-T145 WeakPolarHBondContact O-CB 3.29Å; M141-T145 PolarHBondContact O-N 2.97Å; M141-T145 PolarHBondContact O-OG1 3.34Å; R143-T145 VanDerWaalsContact C-N 3.3Å; R143-T145 PolarHBondContact O-N 3.42Å; T145-M148 PolarHBondContact O-N 3.1Å; T145-L149 HydrophobicContact CG2-CD1 4.27Å; T145-L149 PolarHBondContact O-N 2.98Å; T145-L159 HydrophobicContact CG2-CD2 3.65Å
146	Y	87.4	Confident	85.6	Confident	76 Å²	76	43 Å²	43	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.7	175.8	174	-95.1	0	0	0	112.3	V142 R143 Y144 M148 L149 S150 T160	V142-Y146 PolarHBondContact O-N 3.35Å; V142-Y146 VanDerWaalsContact O-N 3.07Å; R143-Y146 WeakPolarHBondContact O-CB 3.42Å; R143-Y146 PolarHBondContact O-N 3.22Å; Y144-Y146 VanDerWaalsContact C-N 3.34Å; Y144-Y146 PolarHBondContact O-N 3.48Å; Y146-M148 PolarHBondContact O-N 2.91Å; Y146-L149 PolarHBondContact O-N 3.42Å; Y146-S150 WeakPolarHBondContact O-CB 3.36Å; Y146-S150 PolarHBondContact O-N 2.75Å; Y146-T160 HydrophobicContact CE2-CG2 3.8Å
147	S	85.7	Confident	85	Confident	9 Å²	9	47 Å²	47	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-41.7	177.4	-70	0	0	0	0	112.4	R143 Y144 L149 S150 V151	R143-S147 PolarHBondContact O-N 3.09Å; R143-S147 PolarHBondContact O-OG 2.84Å; Y144-S147 PolarHBondContact O-N 2.89Å; S147-L149 PolarHBondContact O-N 3.38Å; S147-S150 PolarHBondContact O-N 3.31Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 3.16Å
148	M	88.3	Confident	84.3	Confident	24 Å²	24	50.7 Å²	50.7	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-48.5	175.3	-75.9	173.5	69.5	0	0	112.1	F36 Y39 L40 F43 Y144 T145 Y146 S150 V151 I152	F36-M148 HydrophobicContact CD2-CB 4.32Å; F36-M148 HydrophobicContact CD2-CE 4.27Å; F36-M148 HydrophobicContact CD2-CG 4.42Å; F36-M148 HydrophobicContact CE2-CB 4.22Å; F36-M148 HydrophobicContact CE2-CE 3.5Å; F36-M148 VanDerWaalsContact CE2-CE 3.5Å; F36-M148 HydrophobicContact CE2-CG 4.4Å; F36-M148 HydrophobicContact CZ-CE 3.75Å; Y39-M148 HydrophobicContact CD2-CG 4.44Å; Y39-M148 HydrophobicContact CG-CG 4.32Å; L40-M148 HydrophobicContact CB-CE 3.9Å; L40-M148 HydrophobicContact CB-SD 4.4Å; L40-M148 HydrophobicContact CD1-CE 3.57Å; L40-M148 HydrophobicContact CG-CE 4.33Å; F43-M148 HydrophobicContact CB-SD 4.13Å; Y144-M148 WeakPolarHBondContact O-CG 3.08Å; Y144-M148 PolarHBondContact O-N 3.39Å; T145-M148 PolarHBondContact O-N 3.1Å; Y146-M148 PolarHBondContact O-N 2.91Å; M148-S150 VanDerWaalsContact C-N 3.33Å; M148-S150 PolarHBondContact O-N 3.26Å; M148-V151 PolarHBondContact O-N 3.46Å; M148-I152 PolarHBondContact O-N 3.22Å; M148-I152 VanDerWaalsContact O-N 3.14Å
149	L	85.4	Confident	83.7	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-38.9	179.2	-81.8	156.8	0	0	0	112.2	T145 Y146 S147 V151 I152 G153 T154 Y156 L159	T145-L149 HydrophobicContact CG2-CD1 4.27Å; T145-L149 PolarHBondContact O-N 2.98Å; Y146-L149 PolarHBondContact O-N 3.42Å; S147-L149 PolarHBondContact O-N 3.38Å; L149-V151 VanDerWaalsContact C-N 3.27Å; L149-V151 PolarHBondContact O-N 3.32Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-G153 PolarHBondContact O-N 3.02Å; L149-G153 VanDerWaalsContact O-N 3.11Å; L149-T154 WeakPolarHBondContact CD2-OG1 3.41Å; L149-T154 PolarHBondContact O-N 3.28Å; L149-T154 PolarHBondContact O-OG1 3.44Å; L149-Y156 HydrophobicContact CD1-CD2 4.34Å; L149-Y156 HydrophobicContact CD2-CD2 3.69Å; L149-Y156 HydrophobicContact CD2-CE2 3.65Å; L149-L159 HydrophobicContact CD1-CD2 3.09Å; L149-L159 HydrophobicContact CD1-CG 4.4Å
150	S	84.1	Confident	83.3	Confident	76 Å²	76	52.4 Å²	52.4	53%	0.531	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-35.4	174.4	-173.9	0	0	0	0	112.3	Y146 S147 M148 G153	Y146-S150 WeakPolarHBondContact O-CB 3.36Å; Y146-S150 PolarHBondContact O-N 2.75Å; S147-S150 PolarHBondContact O-N 3.31Å; M148-S150 VanDerWaalsContact C-N 3.33Å; M148-S150 PolarHBondContact O-N 3.26Å; S150-G153 PolarHBondContact O-N 3.36Å
151	V	84.6	Confident	82.9	Confident	30 Å²	30	60.4 Å²	60.4	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-72.3	-34.9	177.3	171.9	0	0	0	0	112.2	N32 L35 F36 Y39 S147 M148 L149 G153	N32-V151 HydrophobicContact CB-CG1 3.86Å; N32-V151 WeakPolarHBondContact O-CG1 3.33Å; L35-V151 HydrophobicContact CB-CG1 4.49Å; L35-V151 HydrophobicContact CB-CG2 4.17Å; F36-V151 HydrophobicContact CB-CG1 4.12Å; Y39-V151 HydrophobicContact CD2-CG2 4.21Å; Y39-V151 HydrophobicContact CE2-CG2 3.76Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 3.16Å; M148-V151 PolarHBondContact O-N 3.46Å; L149-V151 VanDerWaalsContact C-N 3.27Å; L149-V151 PolarHBondContact O-N 3.32Å; V151-G153 PolarHBondContact O-N 2.97Å
152	I	83.7	Confident	82.4	Confident	97 Å²	97	61.6 Å²	61.6	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-70.3	-20.4	174.6	-64.8	164.5	0	0	0	111.3	F36 M148 L149 T154	F36-I152 HydrophobicContact CD2-CD1 3.92Å; F36-I152 HydrophobicContact CD2-CG1 3.95Å; F36-I152 HydrophobicContact CE2-CD1 3.4Å; F36-I152 VanDerWaalsContact CE2-CD1 3.4Å; F36-I152 HydrophobicContact CE2-CG1 3.96Å; F36-I152 HydrophobicContact CZ-CD1 4.21Å; M148-I152 PolarHBondContact O-N 3.22Å; M148-I152 VanDerWaalsContact O-N 3.14Å; L149-I152 PolarHBondContact O-N 3.46Å; I152-T154 VanDerWaalsContact C-N 3.31Å; I152-T154 HydrophobicContact CG2-CG2 3.98Å
153	G	78.1	Confident	82.1	Confident	64 Å²	64	61.8 Å²	61.8	66%	0.66	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	9.1	-177.1	0	0	0	0	0	113.5	L149 S150 V151	L149-G153 PolarHBondContact O-N 3.02Å; L149-G153 VanDerWaalsContact O-N 3.11Å; S150-G153 PolarHBondContact O-N 3.36Å; V151-G153 PolarHBondContact O-N 2.97Å
154	T	76.3	Confident	81.7	Confident	55 Å²	55	63.5 Å²	63.5	34%	0.337	37%	0.368	S	S	.	.			trans	-95.7	113	175.5	46	0	0	0	0	109.9	L149 I152	L149-T154 WeakPolarHBondContact CD2-OG1 3.41Å; L149-T154 PolarHBondContact O-N 3.28Å; L149-T154 PolarHBondContact O-OG1 3.44Å; I152-T154 VanDerWaalsContact C-N 3.31Å; I152-T154 HydrophobicContact CG2-CG2 3.98Å
155	S	73.3	Confident	81.4	Confident	109 Å²	109	65.9 Å²	65.9	76%	0.762	38%	0.383	S	S	*	.			trans	-102.5	107.8	177	53.5	0	0	0	0	111.2
156	Y	78.8	Confident	81.1	Confident	144 Å²	144	66.1 Å²	66.1	57%	0.565	38%	0.382	S	S	*	.			trans	-89	123	167.9	-66.8	-76.6	0	0	0	109.7	L149 A158 L159 T160	L149-Y156 HydrophobicContact CD1-CD2 4.34Å; L149-Y156 HydrophobicContact CD2-CD2 3.69Å; L149-Y156 HydrophobicContact CD2-CE2 3.65Å; Y156-A158 VanDerWaalsContact C-N 3.32Å; Y156-A158 PolarHBondContact O-N 3.24Å; Y156-L159 PolarHBondContact O-N 3.48Å; Y156-T160 WeakPolarHBondContact O-CB 2.71Å; Y156-T160 PolarHBondContact O-N 3.05Å; Y156-T160 PolarHBondContact O-OG1 3.45Å
157	A	76.1	Confident	80.8	Confident	84 Å²	84	63.5 Å²	63.5	69%	0.694	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-43.1	179.8	0	0	0	0	0	111.9	L159 T160 W161	A157-L159 PolarHBondContact O-N 3.34Å; A157-T160 PolarHBondContact O-N 3.33Å; A157-W161 VanDerWaalsContact O-CB 3.32Å; A157-W161 WeakPolarHBondContact O-CB 3.37Å; A157-W161 PolarHBondContact O-N 3.32Å
158	A	76.1	Confident	80.5	Confident	78 Å²	78	66.9 Å²	66.9	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-61.3	-44.7	179.1	0	0	0	0	0	112.5	Y156 W161 L162	Y156-A158 VanDerWaalsContact C-N 3.32Å; Y156-A158 PolarHBondContact O-N 3.24Å; A158-W161 PolarHBondContact O-N 3.49Å; A158-L162 VanDerWaalsContact O-CB 3.32Å; A158-L162 WeakPolarHBondContact O-CB 3.16Å; A158-L162 PolarHBondContact O-N 3.43Å
159	L	79.1	Confident	80.2	Confident	51 Å²	51	69.7 Å²	69.7	27%	0.267	41%	0.408	S	S	.	.	H	α-helix	trans	-72.8	-36.6	-178.9	-153.8	87.5	0	0	0	112.3	T145 L149 Y156 A157 W161 L162 S163	T145-L159 HydrophobicContact CG2-CD2 3.65Å; L149-L159 HydrophobicContact CD1-CD2 3.09Å; L149-L159 HydrophobicContact CD1-CG 4.4Å; Y156-L159 PolarHBondContact O-N 3.48Å; A157-L159 PolarHBondContact O-N 3.34Å; L159-W161 VanDerWaalsContact C-N 3.34Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-S163 WeakPolarHBondContact O-CB 3.17Å; L159-S163 PolarHBondContact O-N 2.83Å
160	T	79.6	Confident	80.3	Confident	45 Å²	45	68.8 Å²	68.8	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-46.9	173.1	-55.9	0	0	0	0	110.1	Y146 Y156 A157 S163 Q164	Y146-T160 HydrophobicContact CE2-CG2 3.8Å; Y156-T160 WeakPolarHBondContact O-CB 2.71Å; Y156-T160 PolarHBondContact O-N 3.05Å; Y156-T160 PolarHBondContact O-OG1 3.45Å; A157-T160 PolarHBondContact O-N 3.33Å; T160-S163 PolarHBondContact O-N 2.86Å; T160-Q164 VanDerWaalsContact O-CG 3.24Å; T160-Q164 WeakPolarHBondContact O-CG 3.45Å; T160-Q164 PolarHBondContact O-N 2.81Å; T160-Q164 VanDerWaalsContact O-N 3.07Å
161	W	79.4	Confident	80.2	Confident	168 Å²	168	65.4 Å²	65.4	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-47.1	176.3	-177.1	86.3	0	0	0	111.5	A157 A158 L159 S163 Q164 T165	A157-W161 VanDerWaalsContact O-CB 3.32Å; A157-W161 WeakPolarHBondContact O-CB 3.37Å; A157-W161 PolarHBondContact O-N 3.32Å; A158-W161 PolarHBondContact O-N 3.49Å; L159-W161 VanDerWaalsContact C-N 3.34Å; W161-S163 PolarHBondContact O-N 3.36Å; W161-Q164 PolarHBondContact O-N 3.1Å; W161-T165 HydrophobicContact CH2-CG2 4.09Å; W161-T165 HydrophobicContact CZ2-CG2 4.06Å; W161-T165 WeakPolarHBondContact O-CB 3.42Å; W161-T165 PolarHBondContact O-N 3.5Å; W161-T165 PolarHBondContact O-OG1 3.45Å
162	L	80.6	Confident	80.1	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.356	39%	0.386	S	S	.	.	H	α-helix	trans	-59.3	-46.7	178.5	-173.7	130.8	0	0	0	111.2	V142 A158 L159 Q164 T165 L166	V142-L162 HydrophobicContact CG1-CD2 3.72Å; V142-L162 HydrophobicContact CG2-CD2 4.11Å; A158-L162 VanDerWaalsContact O-CB 3.32Å; A158-L162 WeakPolarHBondContact O-CB 3.16Å; A158-L162 PolarHBondContact O-N 3.43Å; L159-L162 PolarHBondContact O-N 2.89Å; L162-Q164 VanDerWaalsContact C-N 3.31Å; L162-Q164 PolarHBondContact O-N 3.47Å; L162-T165 PolarHBondContact O-N 3.04Å; L162-L166 HydrophobicContact CD2-CD1 4.16Å; L162-L166 HydrophobicContact CG-CD1 4.36Å; L162-L166 WeakPolarHBondContact O-CB 3.28Å; L162-L166 PolarHBondContact O-N 3.01Å
163	S	82.7	Confident	80.2	Confident	17 Å²	17	65.9 Å²	65.9	12%	0.119	38%	0.384	C	S	.	.	H	α-helix	trans	-59.9	-39.2	177.1	-175.9	0	0	0	0	113	L159 T160 W161	L159-S163 WeakPolarHBondContact O-CB 3.17Å; L159-S163 PolarHBondContact O-N 2.83Å; T160-S163 PolarHBondContact O-N 2.86Å; W161-S163 PolarHBondContact O-N 3.36Å
164	Q	78.9	Confident	80.6	Confident	69 Å²	69	63 Å²	63	32%	0.322	35%	0.353	S	S	.	.	H	α-helix	trans	-76	-36.3	179.5	-64.1	-60.4	-46.1	0	0	112.8	T160 W161 L162 L233	T160-Q164 VanDerWaalsContact O-CG 3.24Å; T160-Q164 WeakPolarHBondContact O-CG 3.45Å; T160-Q164 PolarHBondContact O-N 2.81Å; T160-Q164 VanDerWaalsContact O-N 3.07Å; W161-Q164 PolarHBondContact O-N 3.1Å; L162-Q164 VanDerWaalsContact C-N 3.31Å; L162-Q164 PolarHBondContact O-N 3.47Å; Q164-L233 HydrophobicContact CB-CD1 4.02Å; Q164-L233 HydrophobicContact CG-CD1 4.44Å; Q164-L233 WeakPolarHBondContact O-CD2 3.41Å
165	T	82.4	Confident	80.9	Confident	51 Å²	51	61.2 Å²	61.2	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-81.9	-40.4	-177.7	-57.5	0	0	0	0	112.1	W161 L162 W167 M168 P169	W161-T165 HydrophobicContact CH2-CG2 4.09Å; W161-T165 HydrophobicContact CZ2-CG2 4.06Å; W161-T165 WeakPolarHBondContact O-CB 3.42Å; W161-T165 PolarHBondContact O-N 3.5Å; W161-T165 PolarHBondContact O-OG1 3.45Å; L162-T165 PolarHBondContact O-N 3.04Å; T165-W167 VanDerWaalsContact C-N 3.29Å; T165-W167 PolarHBondContact O-N 3Å; T165-M168 VanDerWaalsContact O-CB 3.26Å; T165-M168 WeakPolarHBondContact O-CB 3.41Å; T165-M168 PolarHBondContact O-N 3.22Å; T165-P169 WeakPolarHBondContact O-CD 3.37Å
166	L	82.3	Confident	81.5	Confident	40 Å²	40	60.4 Å²	60.4	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-27.9	-174.3	-175.5	133.9	0	0	0	113	V142 L162 M168 P169 I170	V142-L166 HydrophobicContact CB-CD2 4.09Å; V142-L166 HydrophobicContact CG1-CD2 4.23Å; V142-L166 HydrophobicContact CG2-CD1 4.34Å; V142-L166 HydrophobicContact CG2-CD2 3.84Å; L162-L166 HydrophobicContact CD2-CD1 4.16Å; L162-L166 HydrophobicContact CG-CD1 4.36Å; L162-L166 WeakPolarHBondContact O-CB 3.28Å; L162-L166 PolarHBondContact O-N 3.01Å; L166-M168 PolarHBondContact O-N 3.27Å; L166-P169 WeakPolarHBondContact O-CD 3.42Å; L166-I170 HydrophobicContact CD1-CD1 4.36Å; L166-I170 HydrophobicContact CD2-CD1 3.35Å; L166-I170 HydrophobicContact CD2-CG1 4.49Å; L166-I170 HydrophobicContact CG-CD1 3.59Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CB 3.46Å; L166-I170 VanDerWaalsContact O-CG1 3.29Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.17Å
167	W	81	Confident	81.8	Confident	20 Å²	20	54 Å²	54	8%	0.076	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-29.2	172.8	179.3	80.6	0	0	0	112.5	T165 Y171 F226 K229	T165-W167 VanDerWaalsContact C-N 3.29Å; T165-W167 PolarHBondContact O-N 3Å; W167-Y171 AromaticContact CE2-CD2 3.83Å; W167-Y171 AromaticContact CE2-CG 3.84Å; W167-Y171 HydrophobicContact CH2-CD1 4.37Å; W167-Y171 HydrophobicContact CH2-CG 4.41Å; W167-Y171 AromaticContact CZ2-CD1 3.93Å; W167-Y171 HydrophobicContact CZ2-CD1 3.93Å; W167-Y171 AromaticContact CZ2-CD2 3.79Å; W167-Y171 HydrophobicContact CZ2-CD2 3.79Å; W167-Y171 HydrophobicContact CZ2-CE1 4.24Å; W167-Y171 HydrophobicContact CZ2-CE2 4.15Å; W167-Y171 AromaticContact CZ2-CG 3.66Å; W167-Y171 HydrophobicContact CZ2-CG 3.66Å; W167-Y171 AromaticContact NE1-CD2 3.54Å; W167-Y171 AromaticContact NE1-CG 3.96Å; W167-Y171 WeakPolarHBondContact O-CB 3.41Å; W167-Y171 PolarHBondContact O-N 2.92Å; W167-F226 AromaticContact CH2-CD2 3.91Å; W167-F226 HydrophobicContact CH2-CD2 3.91Å; W167-F226 HydrophobicContact CZ3-CD2 4.14Å; W167-F226 HydrophobicContact CZ3-CE2 4.47Å; W167-K229 HydrophobicContact CD2-CD 4.32Å; W167-K229 HydrophobicContact CE3-CD 4.04Å; W167-K229 HydrophobicContact CE3-CG 4.15Å; W167-K229 HydrophobicContact CH2-CB 3.59Å; W167-K229 HydrophobicContact CH2-CD 3.37Å; W167-K229 HydrophobicContact CH2-CG 3.64Å; W167-K229 HydrophobicContact CZ2-CD 3.66Å; W167-K229 HydrophobicContact CZ2-CG 4.42Å; W167-K229 HydrophobicContact CZ3-CB 3.71Å; W167-K229 HydrophobicContact CZ3-CD 3.57Å; W167-K229 HydrophobicContact CZ3-CG 3.47Å; W167-K229 VanDerWaalsContact CZ3-CG 3.47Å
168	M	78.9	Confident	82.2	Confident	80 Å²	80	50.2 Å²	50.2	39%	0.394	27%	0.274	S	S	.	.	H	α-helix	trans	-68.5	-47.1	-172.1	-159.9	-179.6	-161.8	0	0	114.1	T165 L166 P172 F226 C230	T165-M168 VanDerWaalsContact O-CB 3.26Å; T165-M168 WeakPolarHBondContact O-CB 3.41Å; T165-M168 PolarHBondContact O-N 3.22Å; L166-M168 PolarHBondContact O-N 3.27Å; M168-P172 WeakPolarHBondContact O-CD 3.24Å; M168-P172 WeakPolarHBondContact O-CG 3.48Å; M168-F226 HydrophobicContact CG-CE2 4.32Å; M168-F226 HydrophobicContact CG-CZ 4.32Å; M168-F226 WeakPolarHBondContact O-CE2 3.17Å; M168-C230 HydrophobicContact CE-CB 4.15Å; M168-C230 WeakPolarHBondContact CE-SG 3.5Å
169	P	83.6	Confident	82.5	Confident	84 Å²	84	47.9 Å²	47.9	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-81.1	-31.3	174.7	30.6	-35.2	0	0	0	113	T165 L166 P172	T165-P169 WeakPolarHBondContact O-CD 3.37Å; L166-P169 WeakPolarHBondContact O-CD 3.42Å; P169-P172 VanDerWaalsContact O-CD 3.31Å; P169-P172 WeakPolarHBondContact O-CD 3.22Å; P169-P172 VanDerWaalsContact O-CG 3.29Å; P169-P172 WeakPolarHBondContact O-CG 3.49Å
170	I	85.8	Confident	82.7	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-72.8	-37.7	-175.5	-66.3	-177.1	0	0	0	111.2	L135 L138 L139 L166 L173 C174	L135-I170 HydrophobicContact CB-CG2 4.32Å; L135-I170 HydrophobicContact CD2-CG2 4.3Å; L138-I170 HydrophobicContact CD2-CD1 3.78Å; L138-I170 HydrophobicContact CG-CD1 4.13Å; L139-I170 HydrophobicContact CB-CG2 4.21Å; L139-I170 HydrophobicContact CD1-CB 4.38Å; L139-I170 HydrophobicContact CD1-CG2 3.8Å; L166-I170 HydrophobicContact CD1-CD1 4.36Å; L166-I170 HydrophobicContact CD2-CD1 3.35Å; L166-I170 HydrophobicContact CD2-CG1 4.49Å; L166-I170 HydrophobicContact CG-CD1 3.59Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CB 3.46Å; L166-I170 VanDerWaalsContact O-CG1 3.29Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.17Å; I170-L173 WeakPolarHBondContact O-CB 3.32Å; I170-L173 PolarHBondContact O-N 3.25Å; I170-C174 PolarHBondContact O-N 3.39Å; I170-C174 PolarHBondContact O-SG 3Å
171	Y	82.3	Confident	82.8	Confident	6 Å²	6	49 Å²	49	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-50.5	-179.1	-168	-102.3	0	0	0	114.5	W167 L173 C174 V175 N222 F226	W167-Y171 AromaticContact CE2-CD2 3.83Å; W167-Y171 AromaticContact CE2-CG 3.84Å; W167-Y171 HydrophobicContact CH2-CD1 4.37Å; W167-Y171 HydrophobicContact CH2-CG 4.41Å; W167-Y171 AromaticContact CZ2-CD1 3.93Å; W167-Y171 HydrophobicContact CZ2-CD1 3.93Å; W167-Y171 AromaticContact CZ2-CD2 3.79Å; W167-Y171 HydrophobicContact CZ2-CD2 3.79Å; W167-Y171 HydrophobicContact CZ2-CE1 4.24Å; W167-Y171 HydrophobicContact CZ2-CE2 4.15Å; W167-Y171 AromaticContact CZ2-CG 3.66Å; W167-Y171 HydrophobicContact CZ2-CG 3.66Å; W167-Y171 AromaticContact NE1-CD2 3.54Å; W167-Y171 AromaticContact NE1-CG 3.96Å; W167-Y171 WeakPolarHBondContact O-CB 3.41Å; W167-Y171 PolarHBondContact O-N 2.92Å; Y171-L173 VanDerWaalsContact C-N 3.27Å; Y171-L173 PolarHBondContact O-N 3.05Å; Y171-C174 WeakPolarHBondContact O-CB 3.29Å; Y171-C174 PolarHBondContact O-N 3.44Å; Y171-V175 HydrophobicContact CE1-CG2 4.31Å; Y171-V175 WeakPolarHBondContact O-CG2 3.2Å; Y171-V175 PolarHBondContact O-N 3.03Å; Y171-V175 VanDerWaalsContact O-N 3.08Å; Y171-N222 HydrophobicContact CE1-CB 4.03Å; Y171-N222 WeakPolarHBondContact OH-CB 3.33Å; Y171-N222 PolarHBondContact OH-OD1 3.15Å; Y171-F226 HydrophobicContact CD1-CB 4.1Å; Y171-F226 AromaticContact CD1-CD2 3.67Å; Y171-F226 HydrophobicContact CD1-CD2 3.67Å; Y171-F226 HydrophobicContact CD1-CG 4.27Å; Y171-F226 HydrophobicContact CE1-CB 4.03Å; Y171-F226 HydrophobicContact CE1-CD2 4.43Å; Y171-F226 HydrophobicContact CG-CD2 4.47Å
172	P	83.4	Confident	82.8	Confident	51 Å²	51	41.2 Å²	41.2	33%	0.331	22%	0.224	S	C	.	.	H	α-helix	trans	-64.2	-33.6	175.6	24.8	-33.6	0	0	0	112.2	M168 P169 V175 L176 F226	M168-P172 WeakPolarHBondContact O-CD 3.24Å; M168-P172 WeakPolarHBondContact O-CG 3.48Å; P169-P172 VanDerWaalsContact O-CD 3.31Å; P169-P172 WeakPolarHBondContact O-CD 3.22Å; P169-P172 VanDerWaalsContact O-CG 3.29Å; P169-P172 WeakPolarHBondContact O-CG 3.49Å; P172-V175 PolarHBondContact O-N 2.94Å; P172-L176 WeakPolarHBondContact O-CG 3.4Å; P172-L176 PolarHBondContact O-N 2.94Å; P172-F226 HydrophobicContact CG-CE2 4.49Å
173	L	85.6	Confident	82.7	Confident	86 Å²	86	46 Å²	46	45%	0.45	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-39	176	-163.9	72.4	0	0	0	111.7	L135 I170 Y171 L176 A177	L135-L173 HydrophobicContact CD1-CB 4.12Å; L135-L173 HydrophobicContact CD1-CD2 3.56Å; L135-L173 HydrophobicContact CD1-CG 3.59Å; L135-L173 HydrophobicContact CD2-CD2 3.57Å; L135-L173 HydrophobicContact CD2-CG 4.48Å; L135-L173 HydrophobicContact CG-CD2 4.2Å; I170-L173 WeakPolarHBondContact O-CB 3.32Å; I170-L173 PolarHBondContact O-N 3.25Å; Y171-L173 VanDerWaalsContact C-N 3.27Å; Y171-L173 PolarHBondContact O-N 3.05Å; L173-L176 PolarHBondContact O-N 2.75Å; L173-A177 WeakPolarHBondContact O-CB 3.24Å; L173-A177 PolarHBondContact O-N 3.46Å
174	C	86.4	Confident	82.5	Confident	3 Å²	3	48 Å²	48	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-50	171.4	-68.8	0	0	0	0	111	I170 Y171 L176 A177 E178	I170-C174 PolarHBondContact O-N 3.39Å; I170-C174 PolarHBondContact O-SG 3Å; Y171-C174 WeakPolarHBondContact O-CB 3.29Å; Y171-C174 PolarHBondContact O-N 3.44Å; C174-L176 VanDerWaalsContact C-N 3.28Å; C174-L176 PolarHBondContact O-N 3.04Å; C174-A177 PolarHBondContact O-N 3.21Å; C174-A177 VanDerWaalsContact O-N 3.12Å; C174-E178 WeakPolarHBondContact O-CB 3.37Å; C174-E178 VanDerWaalsContact O-CG 3.26Å; C174-E178 WeakPolarHBondContact O-CG 3.15Å; C174-E178 PolarHBondContact O-N 3.37Å
175	V	83.3	Confident	82.3	Confident	17 Å²	17	44.7 Å²	44.7	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-40	-179.1	175	0	0	0	0	111.4	Y171 P172 A179 L218 F219 N222	Y171-V175 HydrophobicContact CE1-CG2 4.31Å; Y171-V175 WeakPolarHBondContact O-CG2 3.2Å; Y171-V175 PolarHBondContact O-N 3.03Å; Y171-V175 VanDerWaalsContact O-N 3.08Å; P172-V175 PolarHBondContact O-N 2.94Å; V175-A179 WeakPolarHBondContact O-CB 3.46Å; V175-A179 PolarHBondContact O-N 2.85Å; V175-L218 HydrophobicContact CG1-CD2 4.44Å; V175-F219 HydrophobicContact CG1-CD2 4.17Å; V175-F219 HydrophobicContact CG1-CE2 4.41Å; V175-N222 HydrophobicContact CG2-CB 4.07Å
176	L	84.4	Confident	81.9	Confident	92 Å²	92	43.7 Å²	43.7	48%	0.482	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-48.4	174.1	-71.8	171.5	0	0	0	111.3	P172 L173 C174 E178 A179 F180	P172-L176 WeakPolarHBondContact O-CG 3.4Å; P172-L176 PolarHBondContact O-N 2.94Å; L173-L176 PolarHBondContact O-N 2.75Å; C174-L176 VanDerWaalsContact C-N 3.28Å; C174-L176 PolarHBondContact O-N 3.04Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.02Å; L176-A179 PolarHBondContact O-N 2.99Å; L176-F180 WeakPolarHBondContact O-CD2 3.06Å; L176-F180 PolarHBondContact O-N 3.45Å
177	A	85.8	Confident	81.4	Confident	11 Å²	11	45.3 Å²	45.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-36.8	179	0	0	0	0	0	112.6	L132 L173 C174 T181	L132-A177 HydrophobicContact CB-CB 4.11Å; L132-A177 HydrophobicContact CD1-CB 3.9Å; L173-A177 WeakPolarHBondContact O-CB 3.24Å; L173-A177 PolarHBondContact O-N 3.46Å; C174-A177 PolarHBondContact O-N 3.21Å; C174-A177 VanDerWaalsContact O-N 3.12Å; A177-T181 WeakPolarHBondContact O-CB 3.41Å; A177-T181 PolarHBondContact O-N 2.69Å; A177-T181 PolarHBondContact O-OG1 3.33Å
178	E	84.4	Confident	80.8	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-48.1	172.7	-71.3	170.4	-173.7	0	0	110.9	I112 L132 W136 C174 L176 F180 T181 I182	I112-E178 HydrophobicContact CD1-CB 3.93Å; I112-E178 VanDerWaalsContact CD1-CD 3.49Å; I112-E178 HydrophobicContact CD1-CG 3.63Å; L132-E178 HydrophobicContact CD1-CG 3.55Å; L132-E178 HydrophobicContact CD2-CG 4.08Å; L132-E178 HydrophobicContact CG-CG 4.47Å; W136-E178 HydrophobicContact CZ2-CG 4.12Å; W136-E178 WeakPolarHBondContact CZ2-OE1 3.39Å; W136-E178 PolarHBondContact NE1-OE1 3.38Å; C174-E178 WeakPolarHBondContact O-CB 3.37Å; C174-E178 VanDerWaalsContact O-CG 3.26Å; C174-E178 WeakPolarHBondContact O-CG 3.15Å; C174-E178 PolarHBondContact O-N 3.37Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.02Å; E178-F180 PolarHBondContact O-N 2.85Å; E178-T181 WeakPolarHBondContact O-CB 3.45Å; E178-T181 PolarHBondContact O-N 3.01Å; E178-I182 WeakPolarHBondContact O-CG1 3.49Å; E178-I182 PolarHBondContact O-N 3.1Å
179	A	81.9	Confident	80.3	Confident	29 Å²	29	44 Å²	44	24%	0.24	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-43.9	177.4	0	0	0	0	0	112	V175 L176 I182 Y183 L215	V175-A179 WeakPolarHBondContact O-CB 3.46Å; V175-A179 PolarHBondContact O-N 2.85Å; L176-A179 PolarHBondContact O-N 2.99Å; A179-I182 PolarHBondContact O-N 2.72Å; A179-Y183 WeakPolarHBondContact O-CB 3.35Å; A179-Y183 PolarHBondContact O-N 2.84Å; A179-L215 HydrophobicContact CB-CD2 4.33Å
180	F	83.6	Confident	79.5	Confident	120 Å²	120	44.4 Å²	44.4	53%	0.526	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-36.2	175.5	-85.5	-71.7	0	0	0	112.9	V128 L176 E178 Q184	V128-F180 HydrophobicContact CG1-CB 3.76Å; L176-F180 WeakPolarHBondContact O-CD2 3.06Å; L176-F180 PolarHBondContact O-N 3.45Å; E178-F180 PolarHBondContact O-N 2.85Å; F180-Q184 WeakPolarHBondContact O-CG 3.45Å; F180-Q184 PolarHBondContact O-N 2.98Å
181	T	82.9	Confident	78.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-46.2	175.7	-60.6	0	0	0	0	110.5	V116 I117 V123 V129 A177 E178 Q184 S185	V116-T181 HydrophobicContact CG1-CG2 4.34Å; I117-T181 HydrophobicContact CG1-CG2 4.44Å; V123-T181 HydrophobicContact CG1-CG2 4.08Å; V129-T181 HydrophobicContact CG2-CG2 3.72Å; A177-T181 WeakPolarHBondContact O-CB 3.41Å; A177-T181 PolarHBondContact O-N 2.69Å; A177-T181 PolarHBondContact O-OG1 3.33Å; E178-T181 WeakPolarHBondContact O-CB 3.45Å; E178-T181 PolarHBondContact O-N 3.01Å; T181-Q184 PolarHBondContact O-N 3Å; T181-S185 WeakPolarHBondContact O-CB 3.26Å; T181-S185 PolarHBondContact O-N 3.35Å
182	I	77.5	Confident	77.3	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-44.2	178.4	-63	166	0	0	0	110.7	V116 E178 A179 Q184 S185 L186 L211 L215	V116-I182 HydrophobicContact CG2-CG1 4.36Å; E178-I182 WeakPolarHBondContact O-CG1 3.49Å; E178-I182 PolarHBondContact O-N 3.1Å; A179-I182 PolarHBondContact O-N 2.72Å; I182-Q184 VanDerWaalsContact C-N 3.29Å; I182-Q184 PolarHBondContact O-N 3.12Å; I182-S185 WeakPolarHBondContact CA-OG 3.41Å; I182-S185 PolarHBondContact O-N 3.12Å; I182-S185 PolarHBondContact O-OG 2.84Å; I182-L186 PolarHBondContact O-N 3.23Å; I182-L211 HydrophobicContact CG2-CD1 4.37Å; I182-L211 HydrophobicContact CG2-CD2 3.86Å; I182-L211 HydrophobicContact CG2-CG 3.85Å; I182-L215 HydrophobicContact CB-CD1 3.9Å; I182-L215 HydrophobicContact CB-CG 4.44Å; I182-L215 HydrophobicContact CD1-CD1 4.33Å; I182-L215 HydrophobicContact CD1-CG 3.96Å; I182-L215 HydrophobicContact CG2-CD1 3.31Å; I182-L215 HydrophobicContact CG2-CG 4.12Å
183	Y	79	Confident	75.8	Confident	170 Å²	170	50.4 Å²	50.4	67%	0.667	26%	0.257	S	S	*	.	H	α-helix	trans	-57	-42.8	177	-177.9	-99.8	0	0	0	112.1	A179 L186 P187	A179-Y183 WeakPolarHBondContact O-CB 3.35Å; A179-Y183 PolarHBondContact O-N 2.84Å; Y183-L186 WeakPolarHBondContact O-CB 3.36Å; Y183-L186 PolarHBondContact O-N 2.76Å; Y183-P187 WeakPolarHBondContact O-CD 3.49Å
184	Q	79.4	Confident	74.2	Confident	57 Å²	57	51.1 Å²	51.1	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-31.8	175.3	-77.3	-175.2	87.6	0	0	113.2	V128 F180 T181 I182 L186 P187 Y188	V128-Q184 VanDerWaalsContact CG2-NE2 3.31Å; F180-Q184 WeakPolarHBondContact O-CG 3.45Å; F180-Q184 PolarHBondContact O-N 2.98Å; T181-Q184 PolarHBondContact O-N 3Å; I182-Q184 VanDerWaalsContact C-N 3.29Å; I182-Q184 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact C-N 3.3Å; Q184-P187 WeakPolarHBondContact O-CD 3.48Å; Q184-P187 WeakPolarHBondContact O-CG 3.46Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.31Å; Q184-Y188 VanDerWaalsContact O-CE2 3.22Å; Q184-Y188 WeakPolarHBondContact O-CE2 3.29Å
185	S	73.6	Confident	72.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-73.1	-23.2	176.8	74.4	0	0	0	0	113.4	T181 I182 Y188 F189	T181-S185 WeakPolarHBondContact O-CB 3.26Å; T181-S185 PolarHBondContact O-N 3.35Å; I182-S185 WeakPolarHBondContact CA-OG 3.41Å; I182-S185 PolarHBondContact O-N 3.12Å; I182-S185 PolarHBondContact O-OG 2.84Å; S185-Y188 WeakPolarHBondContact O-CB 3.34Å; S185-Y188 PolarHBondContact O-N 2.96Å; S185-F189 WeakPolarHBondContact O-CD2 3.02Å; S185-F189 PolarHBondContact O-N 2.86Å
186	L	73.9	Confident	70.6	Confident	30 Å²	30	59.8 Å²	59.8	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-48.9	-173.7	-167	71.9	0	0	0	115.1	I182 Y183 Q184 Y188 F189 E190 K212	I182-L186 PolarHBondContact O-N 3.23Å; Y183-L186 WeakPolarHBondContact O-CB 3.36Å; Y183-L186 PolarHBondContact O-N 2.76Å; Q184-L186 VanDerWaalsContact C-N 3.3Å; L186-Y188 PolarHBondContact O-N 2.97Å; L186-F189 PolarHBondContact O-N 3.41Å; L186-F189 VanDerWaalsContact O-N 3.16Å; L186-E190 PolarHBondContact O-N 3.46Å; L186-K212 HydrophobicContact CD1-CD 4.4Å; L186-K212 HydrophobicContact CD1-CG 4.17Å; L186-K212 VanDerWaalsContact CD2-CE 3.46Å
187	P	72.3	Confident	68.7	Low	75 Å²	75	61.3 Å²	61.3	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-33.3	177.6	23	-35.3	0	0	0	112.9	Y183 Q184 E190 S191	Y183-P187 WeakPolarHBondContact O-CD 3.49Å; Q184-P187 WeakPolarHBondContact O-CD 3.48Å; Q184-P187 WeakPolarHBondContact O-CG 3.46Å; P187-E190 PolarHBondContact O-N 3.22Å; P187-S191 PolarHBondContact O-N 3.39Å; P187-S191 PolarHBondContact O-OG 3.06Å
188	Y	69	Low	66.9	Low	57 Å²	57	66.9 Å²	66.9	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-67.6	-39.7	177.2	-59.8	-81.7	0	0	0	111.6	E122 V123 Q184 S185 L186 S191 F192	E122-Y188 HydrophobicContact CB-CE1 4.27Å; E122-Y188 WeakPolarHBondContact OE2-CD1 3.15Å; E122-Y188 WeakPolarHBondContact OE2-CE1 3Å; V123-Y188 HydrophobicContact CG2-CD2 4.04Å; V123-Y188 HydrophobicContact CG2-CE2 4.2Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.31Å; Q184-Y188 VanDerWaalsContact O-CE2 3.22Å; Q184-Y188 WeakPolarHBondContact O-CE2 3.29Å; S185-Y188 WeakPolarHBondContact O-CB 3.34Å; S185-Y188 PolarHBondContact O-N 2.96Å; L186-Y188 PolarHBondContact O-N 2.97Å; Y188-S191 PolarHBondContact O-N 3.33Å; Y188-S191 PolarHBondContact O-OG 3.42Å; Y188-F192 WeakPolarHBondContact O-CD2 3.46Å; Y188-F192 PolarHBondContact O-N 2.77Å; Y188-F192 VanDerWaalsContact O-N 3.11Å
189	F	67.6	Low	65	Low	16 Å²	16	73.9 Å²	73.9	7%	0.07	40%	0.399	C	S	.	.	H	α-helix	trans	-70	-34.7	175.5	-72.2	-65.4	0	0	0	113	Q120 S185 L186 F192 G193 F207 P208 L211	Q120-F189 HydrophobicContact CG-CE1 4.07Å; Q120-F189 HydrophobicContact CG-CE2 4.12Å; Q120-F189 HydrophobicContact CG-CZ 3.66Å; S185-F189 WeakPolarHBondContact O-CD2 3.02Å; S185-F189 PolarHBondContact O-N 2.86Å; L186-F189 PolarHBondContact O-N 3.41Å; L186-F189 VanDerWaalsContact O-N 3.16Å; F189-F192 PolarHBondContact O-N 3.36Å; F189-G193 PolarHBondContact O-N 2.91Å; F189-F207 AromaticContact CD1-CD1 3.83Å; F189-F207 HydrophobicContact CD1-CD1 3.83Å; F189-F207 AromaticContact CD1-CE1 3.83Å; F189-F207 HydrophobicContact CD1-CE1 3.83Å; F189-F207 AromaticContact CE1-CD1 3.86Å; F189-F207 HydrophobicContact CE1-CD1 3.86Å; F189-F207 AromaticContact CE1-CE1 3.38Å; F189-F207 HydrophobicContact CE1-CE1 3.38Å; F189-F207 HydrophobicContact CE1-CZ 4.41Å; F189-F207 HydrophobicContact CE2-CE1 4.28Å; F189-F207 HydrophobicContact CG-CD1 4.42Å; F189-F207 HydrophobicContact CG-CE1 4.46Å; F189-F207 HydrophobicContact CZ-CD1 4.46Å; F189-F207 AromaticContact CZ-CE1 3.65Å; F189-F207 HydrophobicContact CZ-CE1 3.65Å; F189-P208 HydrophobicContact CB-CB 4.34Å; F189-L211 HydrophobicContact CD2-CD2 4.14Å; F189-L211 HydrophobicContact CE2-CD2 4.06Å
190	E	67.6	Low	63.4	Low	91 Å²	91	77.9 Å²	77.9	43%	0.425	42%	0.423	S	S	.	.	H	α-helix	trans	-68.7	-35.2	176.1	-69.8	179.1	173.4	0	0	111.4	L186 P187 T194 K212	L186-E190 PolarHBondContact O-N 3.46Å; P187-E190 PolarHBondContact O-N 3.22Å; E190-T194 PolarHBondContact O-N 3.43Å; E190-T194 PolarHBondContact O-OG1 3.24Å; E190-K212 IonicContact OE1-NZ 2.82Å; E190-K212 PolarHBondContact OE1-NZ 2.95Å
191	S	62.8	Low	61.6	Low	59 Å²	59	80 Å²	80	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-69.9	-39.1	173.2	61.7	0	0	0	0	113	P187 Y188 T194 N195	P187-S191 PolarHBondContact O-N 3.39Å; P187-S191 PolarHBondContact O-OG 3.06Å; Y188-S191 PolarHBondContact O-N 3.33Å; Y188-S191 PolarHBondContact O-OG 3.42Å; S191-T194 PolarHBondContact O-N 2.96Å; S191-N195 PolarHBondContact O-N 2.81Å; S191-N195 PolarHBondContact O-ND2 3.42Å
192	F	58.3	Low	60	Low	115 Å²	115	85.3 Å²	85.3	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-66.4	-38.2	176.4	-96.9	-82.4	0	0	0	112.8	Y188 F189 T194 N195 S196	Y188-F192 WeakPolarHBondContact O-CD2 3.46Å; Y188-F192 PolarHBondContact O-N 2.77Å; Y188-F192 VanDerWaalsContact O-N 3.11Å; F189-F192 PolarHBondContact O-N 3.36Å; F192-T194 VanDerWaalsContact C-N 3.3Å; F192-T194 PolarHBondContact O-N 2.91Å; F192-N195 PolarHBondContact O-N 3.41Å; F192-S196 PolarHBondContact O-N 2.73Å; F192-S196 PolarHBondContact O-OG 3.18Å
193	G	52.5	Low	58.7	Low	23 Å²	23	91.6 Å²	91.6	24%	0.237	49%	0.493	C	S	.	.	H	α-helix	trans	-66.2	-30.9	175.2	0	0	0	0	0	113.3	F189 N195	F189-G193 PolarHBondContact O-N 2.91Å; G193-N195 VanDerWaalsContact C-N 3.34Å
194	T	51.5	Low	57.3	Low	102 Å²	102	86.1 Å²	86.1	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-73.1	-26.2	178.4	-47.8	0	0	0	0	112.5	E190 S191 F192	E190-T194 PolarHBondContact O-N 3.43Å; E190-T194 PolarHBondContact O-OG1 3.24Å; S191-T194 PolarHBondContact O-N 2.96Å; F192-T194 VanDerWaalsContact C-N 3.3Å; F192-T194 PolarHBondContact O-N 2.91Å
195	N	47.3	Very low	56.1	Low	131 Å²	131	86.8 Å²	86.8	70%	0.701	49%	0.488	S	S	*	.	H	α-helix	trans	-92.5	-9.1	-178.7	-67.8	-23	0	0	0	114.5	S191 F192 G193 T197	S191-N195 PolarHBondContact O-N 2.81Å; S191-N195 PolarHBondContact O-ND2 3.42Å; F192-N195 PolarHBondContact O-N 3.41Å; G193-N195 VanDerWaalsContact C-N 3.34Å; N195-T197 PolarHBondContact O-N 3.08Å
196	S	47	Very low	55.3	Low	70 Å²	70	89.9 Å²	89.9	49%	0.49	51%	0.509	S	S	.	.			trans	-98.8	63.4	-179.7	-66.5	0	0	0	0	111.3	F192 V198	F192-S196 PolarHBondContact O-N 2.73Å; F192-S196 PolarHBondContact O-OG 3.18Å; S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 3.33Å
197	T	44.9	Very low	54.7	Low	125 Å²	125	92.2 Å²	92.2	77%	0.767	52%	0.518	S	S	*	.			trans	-86.1	17.1	-179.4	33.3	0	0	0	0	115.1	N195	N195-T197 PolarHBondContact O-N 3.08Å
198	V	48.7	Very low	54.3	Low	127 Å²	127	89.2 Å²	89.2	77%	0.77	50%	0.498	S	S	*	.			trans	-145.4	77.4	178.7	-166	0	0	0	0	112.8	S196	S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 3.33Å
199	L	44.1	Very low	53.9	Low	151 Å²	151	94.2 Å²	94.2	79%	0.791	52%	0.518	S	S	*	.			trans	-160.9	137	154.1	-103.4	128.4	0	0	0	111	F201	L199-F201 PolarHBondContact O-N 3.35Å; L199-F201 VanDerWaalsContact O-N 3.07Å
200	P	47.5	Very low	53.9	Low	114 Å²	114	97.8 Å²	97.8	74%	0.74	54%	0.541	S	S	*	.	S	Bend	trans	-77.8	11.3	-169.9	33	-38	0	0	0	115
201	F	46.3	Very low	53.7	Low	163 Å²	163	94 Å²	94	72%	0.715	52%	0.523	S	S	*	.	S	Bend	trans	-123	104.2	173.2	-71.7	-77.9	0	0	0	108.7	L199 L203	L199-F201 PolarHBondContact O-N 3.35Å; L199-F201 VanDerWaalsContact O-N 3.07Å; F201-L203 PolarHBondContact O-N 3.27Å
202	D	50	Low	53.8	Low	112 Å²	112	94.9 Å²	94.9	60%	0.599	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	32.2	-177.8	-84.2	-60.8	0	0	0	115.8	S204 T205 C206	D202-S204 VanDerWaalsContact C-N 3.3Å; D202-S204 PolarHBondContact O-N 3.48Å; D202-T205 PolarHBondContact OD1-OG1 3.38Å; D202-C206 WeakPolarHBondContact O-CB 3.36Å; D202-C206 PolarHBondContact O-N 2.9Å; D202-C206 VanDerWaalsContact O-N 3.14Å; D202-C206 PolarHBondContact O-SG 3.41Å
203	L	48.8	Very low	54	Low	136 Å²	136	95.6 Å²	95.6	71%	0.712	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-32	177.1	-84.4	153.7	0	0	0	112.3	F201 F207	F201-L203 PolarHBondContact O-N 3.27Å; L203-F207 WeakPolarHBondContact O-CB 3.5Å; L203-F207 PolarHBondContact O-N 2.8Å; L203-F207 VanDerWaalsContact O-N 3.15Å
204	S	51.4	Low	54.8	Low	54 Å²	54	96.4 Å²	96.4	38%	0.378	52%	0.524	S	S	.	.	H	α-helix	trans	-72.7	-39.6	-179.6	-170.6	0	0	0	0	112.7	D202 P208	D202-S204 VanDerWaalsContact C-N 3.3Å; D202-S204 PolarHBondContact O-N 3.48Å; S204-P208 VanDerWaalsContact O-CD 3.27Å; S204-P208 WeakPolarHBondContact O-CD 3.45Å
205	T	53.1	Low	55.2	Low	71 Å²	71	93.9 Å²	93.9	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-75.5	-33.9	178.4	-29.4	0	0	0	0	111	D202 P208 Y209	D202-T205 PolarHBondContact OD1-OG1 3.38Å; T205-P208 WeakPolarHBondContact O-CD 3.15Å; T205-P208 WeakPolarHBondContact O-CG 3.22Å; T205-Y209 VanDerWaalsContact O-CD2 3.31Å; T205-Y209 WeakPolarHBondContact O-CD2 3.1Å
206	C	56.7	Low	56	Low	66 Å²	66	94.1 Å²	94.1	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-72	-30.2	176	-77.7	0	0	0	0	113.5	D202 Y209 V210	D202-C206 WeakPolarHBondContact O-CB 3.36Å; D202-C206 PolarHBondContact O-N 2.9Å; D202-C206 VanDerWaalsContact O-N 3.14Å; D202-C206 PolarHBondContact O-SG 3.41Å; C206-Y209 PolarHBondContact O-N 3.38Å; C206-Y209 VanDerWaalsContact O-N 3.12Å; C206-V210 HydrophobicContact CB-CG2 4.44Å; C206-V210 WeakPolarHBondContact O-CB 3.24Å; C206-V210 VanDerWaalsContact O-CG2 3.28Å; C206-V210 WeakPolarHBondContact O-CG2 3.24Å; C206-V210 PolarHBondContact O-N 2.85Å
207	F	62.5	Low	56.9	Low	79 Å²	79	97.5 Å²	97.5	35%	0.346	52%	0.515	S	S	.	.	H	α-helix	trans	-53.1	-49.6	-175.8	-168.4	-97.1	0	0	0	114.8	F189 L203 Y209 V210 L211	F189-F207 AromaticContact CD1-CD1 3.83Å; F189-F207 HydrophobicContact CD1-CD1 3.83Å; F189-F207 AromaticContact CD1-CE1 3.83Å; F189-F207 HydrophobicContact CD1-CE1 3.83Å; F189-F207 AromaticContact CE1-CD1 3.86Å; F189-F207 HydrophobicContact CE1-CD1 3.86Å; F189-F207 AromaticContact CE1-CE1 3.38Å; F189-F207 HydrophobicContact CE1-CE1 3.38Å; F189-F207 HydrophobicContact CE1-CZ 4.41Å; F189-F207 HydrophobicContact CE2-CE1 4.28Å; F189-F207 HydrophobicContact CG-CD1 4.42Å; F189-F207 HydrophobicContact CG-CE1 4.46Å; F189-F207 HydrophobicContact CZ-CD1 4.46Å; F189-F207 AromaticContact CZ-CE1 3.65Å; F189-F207 HydrophobicContact CZ-CE1 3.65Å; L203-F207 WeakPolarHBondContact O-CB 3.5Å; L203-F207 PolarHBondContact O-N 2.8Å; L203-F207 VanDerWaalsContact O-N 3.15Å; F207-Y209 VanDerWaalsContact C-N 3.34Å; F207-Y209 PolarHBondContact O-N 2.79Å; F207-V210 PolarHBondContact O-N 2.9Å; F207-L211 WeakPolarHBondContact O-CB 2.89Å; F207-L211 PolarHBondContact O-N 3.47Å
208	P	62.5	Low	58	Low	12 Å²	12	92.2 Å²	92.2	8%	0.078	48%	0.482	C	S	.	.	H	α-helix	trans	-66.3	-32.5	177.1	24.2	-33.9	0	0	0	113.3	F189 S204 T205 L211 K212	F189-P208 HydrophobicContact CB-CB 4.34Å; S204-P208 VanDerWaalsContact O-CD 3.27Å; S204-P208 WeakPolarHBondContact O-CD 3.45Å; T205-P208 WeakPolarHBondContact O-CD 3.15Å; T205-P208 WeakPolarHBondContact O-CG 3.22Å; P208-L211 PolarHBondContact O-N 3.16Å; P208-K212 WeakPolarHBondContact O-CG 3.07Å; P208-K212 PolarHBondContact O-N 3.21Å
209	Y	61.8	Low	58.8	Low	162 Å²	162	92 Å²	92	64%	0.635	47%	0.471	S	S	*	.	H	α-helix	trans	-73.8	-38.8	176.1	-72.8	-88.2	0	0	0	112.2	T205 C206 F207 L211 K212 L213	T205-Y209 VanDerWaalsContact O-CD2 3.31Å; T205-Y209 WeakPolarHBondContact O-CD2 3.1Å; C206-Y209 PolarHBondContact O-N 3.38Å; C206-Y209 VanDerWaalsContact O-N 3.12Å; F207-Y209 VanDerWaalsContact C-N 3.34Å; F207-Y209 PolarHBondContact O-N 2.79Å; Y209-L211 VanDerWaalsContact C-N 3.31Å; Y209-K212 PolarHBondContact O-N 3.11Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 2.71Å
210	V	65.8	Low	59.8	Low	91 Å²	91	89.3 Å²	89.3	55%	0.552	46%	0.456	S	S	*	.	H	α-helix	trans	-63	-40.2	171.9	171.5	0	0	0	0	110.1	C206 F207 L213 Y214	C206-V210 HydrophobicContact CB-CG2 4.44Å; C206-V210 WeakPolarHBondContact O-CB 3.24Å; C206-V210 VanDerWaalsContact O-CG2 3.28Å; C206-V210 WeakPolarHBondContact O-CG2 3.24Å; C206-V210 PolarHBondContact O-N 2.85Å; F207-V210 PolarHBondContact O-N 2.9Å; V210-L213 PolarHBondContact O-N 3.38Å; V210-Y214 WeakPolarHBondContact O-CB 3.26Å; V210-Y214 PolarHBondContact O-N 3.46Å
211	L	63.8	Low	60.8	Low	10 Å²	10	85.4 Å²	85.4	5%	0.052	44%	0.437	C	S	.	.	H	α-helix	trans	-66.3	-40.5	175.6	-170.3	63.8	0	0	0	112.3	V116 I182 F189 F207 P208 Y209 Y214 L215	V116-L211 HydrophobicContact CG2-CD1 3.75Å; V116-L211 HydrophobicContact CG2-CD2 4.17Å; I182-L211 HydrophobicContact CG2-CD1 4.37Å; I182-L211 HydrophobicContact CG2-CD2 3.86Å; I182-L211 HydrophobicContact CG2-CG 3.85Å; F189-L211 HydrophobicContact CD2-CD2 4.14Å; F189-L211 HydrophobicContact CE2-CD2 4.06Å; F207-L211 WeakPolarHBondContact O-CB 2.89Å; F207-L211 PolarHBondContact O-N 3.47Å; P208-L211 PolarHBondContact O-N 3.16Å; Y209-L211 VanDerWaalsContact C-N 3.31Å; L211-Y214 HydrophobicContact CD1-CD1 4.42Å; L211-Y214 WeakPolarHBondContact O-CB 3.49Å; L211-Y214 PolarHBondContact O-N 2.89Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 3.47Å
212	K	64.8	Low	61.9	Low	78 Å²	78	78.1 Å²	78.1	34%	0.339	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-42.8	172.7	-76.3	177.7	-170.2	174.7	0	112.1	L186 E190 P208 Y209 Y214 L215 M216	L186-K212 HydrophobicContact CD1-CD 4.4Å; L186-K212 HydrophobicContact CD1-CG 4.17Å; L186-K212 VanDerWaalsContact CD2-CE 3.46Å; E190-K212 IonicContact OE1-NZ 2.82Å; E190-K212 PolarHBondContact OE1-NZ 2.95Å; P208-K212 WeakPolarHBondContact O-CG 3.07Å; P208-K212 PolarHBondContact O-N 3.21Å; Y209-K212 PolarHBondContact O-N 3.11Å; K212-Y214 VanDerWaalsContact C-N 3.35Å; K212-L215 VanDerWaalsContact O-CB 3.26Å; K212-L215 WeakPolarHBondContact O-CB 3.36Å; K212-L215 PolarHBondContact O-N 2.8Å; K212-M216 PolarHBondContact O-N 3.2Å; K212-M216 VanDerWaalsContact O-N 3.15Å
213	L	63.3	Low	62.6	Low	131 Å²	131	74.9 Å²	74.9	69%	0.686	39%	0.394	S	S	*	.	H	α-helix	trans	-66	-39.5	176.4	-163.4	107.6	0	0	0	111.4	Y209 V210 M216 M217	Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 2.71Å; V210-L213 PolarHBondContact O-N 3.38Å; L213-M216 WeakPolarHBondContact O-CB 3.46Å; L213-M216 PolarHBondContact O-N 3.42Å; L213-M217 PolarHBondContact O-N 3.4Å
214	Y	68.4	Low	63.6	Low	40 Å²	40	74.9 Å²	74.9	16%	0.157	39%	0.389	C	S	.	.	H	α-helix	trans	-61.9	-41.6	173.1	179.7	-102.8	0	0	0	111.6	E108 I111 I112 V210 L211 K212 M216 M217 L218	E108-Y214 WeakPolarHBondContact CA-OH 3.32Å; E108-Y214 VanDerWaalsContact CB-OH 3.26Å; E108-Y214 WeakPolarHBondContact CB-OH 3.38Å; E108-Y214 PolarHBondContact O-OH 3.08Å; I111-Y214 HydrophobicContact CD1-CE2 3.74Å; I111-Y214 HydrophobicContact CG2-CD1 4.43Å; I111-Y214 HydrophobicContact CG2-CE1 3.9Å; I111-Y214 HydrophobicContact CG2-CE2 4.2Å; I112-Y214 HydrophobicContact CG1-CE1 4.28Å; V210-Y214 WeakPolarHBondContact O-CB 3.26Å; V210-Y214 PolarHBondContact O-N 3.46Å; L211-Y214 HydrophobicContact CD1-CD1 4.42Å; L211-Y214 WeakPolarHBondContact O-CB 3.49Å; L211-Y214 PolarHBondContact O-N 2.89Å; K212-Y214 VanDerWaalsContact C-N 3.35Å; Y214-M216 PolarHBondContact O-N 3.49Å; Y214-M217 PolarHBondContact O-N 2.87Å; Y214-L218 HydrophobicContact CD1-CD1 4.19Å; Y214-L218 HydrophobicContact CE1-CD1 3.37Å; Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 3.5Å; Y214-L218 WeakPolarHBondContact OH-CD1 3.1Å
215	L	61.5	Low	64.5	Low	49 Å²	49	73.8 Å²	73.8	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-47	173.7	-127.7	164.9	0	0	0	112.1	A179 I182 L211 K212 L218 F219	A179-L215 HydrophobicContact CB-CD2 4.33Å; I182-L215 HydrophobicContact CB-CD1 3.9Å; I182-L215 HydrophobicContact CB-CG 4.44Å; I182-L215 HydrophobicContact CD1-CD1 4.33Å; I182-L215 HydrophobicContact CD1-CG 3.96Å; I182-L215 HydrophobicContact CG2-CD1 3.31Å; I182-L215 HydrophobicContact CG2-CG 4.12Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 3.47Å; K212-L215 VanDerWaalsContact O-CB 3.26Å; K212-L215 WeakPolarHBondContact O-CB 3.36Å; K212-L215 PolarHBondContact O-N 2.8Å; L215-L218 PolarHBondContact O-N 3.41Å; L215-F219 WeakPolarHBondContact O-CB 3.24Å; L215-F219 PolarHBondContact O-N 3.49Å
216	M	63	Low	65.4	Low	135 Å²	135	72.9 Å²	72.9	67%	0.665	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-45.2	175	-93.5	-82.1	179.6	0	0	111.6	K212 L213 Y214 I220	K212-M216 PolarHBondContact O-N 3.2Å; K212-M216 VanDerWaalsContact O-N 3.15Å; L213-M216 WeakPolarHBondContact O-CB 3.46Å; L213-M216 PolarHBondContact O-N 3.42Å; Y214-M216 PolarHBondContact O-N 3.49Å; M216-I220 WeakPolarHBondContact O-CD1 3.43Å; M216-I220 VanDerWaalsContact O-CG1 3.23Å; M216-I220 WeakPolarHBondContact O-CG1 3.35Å; M216-I220 PolarHBondContact O-N 2.92Å
217	M	66.3	Low	65.9	Low	141 Å²	141	75.3 Å²	75.3	70%	0.695	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-38.7	179.3	-162.7	-177.1	-155.9	0	0	112.2	L213 Y214 G221	L213-M217 PolarHBondContact O-N 3.4Å; Y214-M217 PolarHBondContact O-N 2.87Å; M217-G221 WeakPolarHBondContact O-CA 3.39Å; M217-G221 PolarHBondContact O-N 2.89Å
218	L	66.8	Low	66.5	Low	15 Å²	15	77 Å²	77	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-68	-44.6	-179.6	-165.4	151.5	0	0	0	110.4	E108 I112 V175 Y214 L215 I220 G221 N222	E108-L218 HydrophobicContact CB-CD1 4.31Å; I112-L218 HydrophobicContact CD1-CD1 4.01Å; V175-L218 HydrophobicContact CG1-CD2 4.44Å; Y214-L218 HydrophobicContact CD1-CD1 4.19Å; Y214-L218 HydrophobicContact CE1-CD1 3.37Å; Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 3.5Å; Y214-L218 WeakPolarHBondContact OH-CD1 3.1Å; L215-L218 PolarHBondContact O-N 3.41Å; L218-I220 PolarHBondContact O-N 2.94Å; L218-G221 PolarHBondContact O-N 3.35Å; L218-N222 WeakPolarHBondContact CD2-ND2 3.46Å; L218-N222 VanDerWaalsContact CG-ND2 3.34Å; L218-N222 WeakPolarHBondContact CG-ND2 3.38Å; L218-N222 WeakPolarHBondContact O-CB 3.18Å; L218-N222 VanDerWaalsContact O-CG 3.28Å; L218-N222 PolarHBondContact O-N 2.96Å; L218-N222 PolarHBondContact O-ND2 3.43Å
219	F	65.8	Low	67	Low	123 Å²	123	80.2 Å²	80.2	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-44.3	177	-155.7	-97.6	0	0	0	111.9	V175 L215 A223	V175-F219 HydrophobicContact CG1-CD2 4.17Å; V175-F219 HydrophobicContact CG1-CE2 4.41Å; L215-F219 WeakPolarHBondContact O-CB 3.24Å; L215-F219 PolarHBondContact O-N 3.49Å; F219-A223 WeakPolarHBondContact O-CB 3.18Å; F219-A223 PolarHBondContact O-N 3.5Å
220	I	65.1	Low	67.3	Low	93 Å²	93	73.3 Å²	73.3	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-70	-44.9	179.6	-64	166.4	0	0	0	111.3	M216 L218 K224	M216-I220 WeakPolarHBondContact O-CD1 3.43Å; M216-I220 VanDerWaalsContact O-CG1 3.23Å; M216-I220 WeakPolarHBondContact O-CG1 3.35Å; M216-I220 PolarHBondContact O-N 2.92Å; L218-I220 PolarHBondContact O-N 2.94Å; I220-K224 WeakPolarHBondContact O-CG 3.4Å; I220-K224 PolarHBondContact O-N 3.46Å; I220-K224 VanDerWaalsContact O-N 3.15Å
221	G	69.1	Low	67.7	Low	33 Å²	33	76.2 Å²	76.2	34%	0.34	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-46.5	-179.2	0	0	0	0	0	112.2	M217 L218 K224 M225	M217-G221 WeakPolarHBondContact O-CA 3.39Å; M217-G221 PolarHBondContact O-N 2.89Å; L218-G221 PolarHBondContact O-N 3.35Å; G221-K224 PolarHBondContact O-N 3.49Å; G221-M225 WeakPolarHBondContact O-CB 3.14Å; G221-M225 PolarHBondContact O-N 3Å
222	N	69.8	Low	68.3	Low	9 Å²	9	81.4 Å²	81.4	5%	0.048	40%	0.403	C	S	.	.	H	α-helix	trans	-74.2	-35.4	-178	-68.9	-21	0	0	0	112.4	E108 Y171 V175 L218 K224 M225 F226	E108-N222 PolarHBondContact OE2-ND2 2.91Å; E108-N222 PolarHBondContact OE2-OD1 3.38Å; E108-N222 VanDerWaalsContact OE2-OD1 3.1Å; Y171-N222 HydrophobicContact CE1-CB 4.03Å; Y171-N222 WeakPolarHBondContact OH-CB 3.33Å; Y171-N222 PolarHBondContact OH-OD1 3.15Å; V175-N222 HydrophobicContact CG2-CB 4.07Å; L218-N222 WeakPolarHBondContact CD2-ND2 3.46Å; L218-N222 VanDerWaalsContact CG-ND2 3.34Å; L218-N222 WeakPolarHBondContact CG-ND2 3.38Å; L218-N222 WeakPolarHBondContact O-CB 3.18Å; L218-N222 VanDerWaalsContact O-CG 3.28Å; L218-N222 PolarHBondContact O-N 2.96Å; L218-N222 PolarHBondContact O-ND2 3.43Å; N222-K224 PolarHBondContact O-N 3.47Å; N222-M225 PolarHBondContact O-N 3.36Å; N222-F226 WeakPolarHBondContact O-CB 3.41Å; N222-F226 PolarHBondContact O-N 3.37Å
223	A	65.1	Low	68.5	Low	44 Å²	44	79 Å²	79	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-44.1	171.6	0	0	0	0	0	111.6	F219 F226 L227	F219-A223 WeakPolarHBondContact O-CB 3.18Å; F219-A223 PolarHBondContact O-N 3.5Å; A223-F226 PolarHBondContact O-N 3.39Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 VanDerWaalsContact O-CG 3.3Å; A223-L227 WeakPolarHBondContact O-CG 3.24Å; A223-L227 PolarHBondContact O-N 3.3Å
224	K	69.1	Low	68.6	Low	137 Å²	137	76.6 Å²	76.6	60%	0.596	39%	0.387	S	S	*	.	H	α-helix	trans	-65.6	-44.8	176.3	-75	-170.5	179	-172.1	0	112	I220 G221 N222 F226 L227 I228	I220-K224 WeakPolarHBondContact O-CG 3.4Å; I220-K224 PolarHBondContact O-N 3.46Å; I220-K224 VanDerWaalsContact O-N 3.15Å; G221-K224 PolarHBondContact O-N 3.49Å; N222-K224 PolarHBondContact O-N 3.47Å; K224-F226 VanDerWaalsContact C-N 3.33Å; K224-F226 PolarHBondContact O-N 2.89Å; K224-L227 PolarHBondContact O-N 3.18Å; K224-I228 WeakPolarHBondContact O-CB 3.17Å; K224-I228 WeakPolarHBondContact O-CD1 3.34Å; K224-I228 WeakPolarHBondContact O-CG1 3.07Å; K224-I228 PolarHBondContact O-N 3.44Å
225	M	70.8	Confident	68.6	Low	31 Å²	31	79.8 Å²	79.8	15%	0.153	41%	0.406	C	S	.	.	H	α-helix	trans	-64.6	-40.3	178.5	-167.1	177.9	-57.6	0	0	111.7	P101 L104 G221 N222 I228 K229	P101-M225 HydrophobicContact CB-CE 4.3Å; P101-M225 HydrophobicContact CB-SD 3.83Å; L104-M225 HydrophobicContact CB-CE 3.86Å; L104-M225 HydrophobicContact CD1-CE 3.46Å; L104-M225 VanDerWaalsContact CD1-CE 3.46Å; L104-M225 HydrophobicContact CG-CE 4.31Å; G221-M225 WeakPolarHBondContact O-CB 3.14Å; G221-M225 PolarHBondContact O-N 3Å; N222-M225 PolarHBondContact O-N 3.36Å; M225-I228 PolarHBondContact O-N 2.77Å; M225-K229 VanDerWaalsContact O-CB 3.29Å; M225-K229 WeakPolarHBondContact O-CB 3.37Å; M225-K229 PolarHBondContact O-N 3.42Å
226	F	71.4	Confident	68.9	Low	52 Å²	52	84.7 Å²	84.7	23%	0.228	43%	0.425	C	S	.	.	H	α-helix	trans	-58.5	-51.6	173.3	-178.4	-104.9	0	0	0	111.4	W167 M168 Y171 P172 N222 A223 K224 I228 K229 C230	W167-F226 AromaticContact CH2-CD2 3.91Å; W167-F226 HydrophobicContact CH2-CD2 3.91Å; W167-F226 HydrophobicContact CZ3-CD2 4.14Å; W167-F226 HydrophobicContact CZ3-CE2 4.47Å; M168-F226 HydrophobicContact CG-CE2 4.32Å; M168-F226 HydrophobicContact CG-CZ 4.32Å; M168-F226 WeakPolarHBondContact O-CE2 3.17Å; Y171-F226 HydrophobicContact CD1-CB 4.1Å; Y171-F226 AromaticContact CD1-CD2 3.67Å; Y171-F226 HydrophobicContact CD1-CD2 3.67Å; Y171-F226 HydrophobicContact CD1-CG 4.27Å; Y171-F226 HydrophobicContact CE1-CB 4.03Å; Y171-F226 HydrophobicContact CE1-CD2 4.43Å; Y171-F226 HydrophobicContact CG-CD2 4.47Å; P172-F226 HydrophobicContact CG-CE2 4.49Å; N222-F226 WeakPolarHBondContact O-CB 3.41Å; N222-F226 PolarHBondContact O-N 3.37Å; A223-F226 PolarHBondContact O-N 3.39Å; K224-F226 VanDerWaalsContact C-N 3.33Å; K224-F226 PolarHBondContact O-N 2.89Å; F226-I228 PolarHBondContact O-N 2.9Å; F226-K229 PolarHBondContact O-N 3.41Å; F226-C230 WeakPolarHBondContact CZ-SG 3.21Å; F226-C230 VanDerWaalsContact O-CB 3.24Å; F226-C230 WeakPolarHBondContact O-CB 3.45Å; F226-C230 PolarHBondContact O-N 3.5Å; F226-C230 PolarHBondContact O-SG 3.43Å; F226-C230 VanDerWaalsContact O-SG 3.35Å
227	L	66.8	Low	69	Low	116 Å²	116	82.4 Å²	82.4	61%	0.607	42%	0.419	S	S	*	.	H	α-helix	trans	-59.9	-43.5	177.8	-75.3	166.9	0	0	0	112.5	A223 K224 K231	A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 VanDerWaalsContact O-CG 3.3Å; A223-L227 WeakPolarHBondContact O-CG 3.24Å; A223-L227 PolarHBondContact O-N 3.3Å; K224-L227 PolarHBondContact O-N 3.18Å; L227-K231 VanDerWaalsContact O-CB 3.24Å; L227-K231 WeakPolarHBondContact O-CB 3.47Å; L227-K231 PolarHBondContact O-N 2.81Å
228	I	75	Confident	68.6	Low	115 Å²	115	82.7 Å²	82.7	59%	0.59	42%	0.417	S	S	*	.	H	α-helix	trans	-62.6	-46.1	177.9	-69.3	163.9	0	0	0	110.6	K224 M225 F226 K231 K232	K224-I228 WeakPolarHBondContact O-CB 3.17Å; K224-I228 WeakPolarHBondContact O-CD1 3.34Å; K224-I228 WeakPolarHBondContact O-CG1 3.07Å; K224-I228 PolarHBondContact O-N 3.44Å; M225-I228 PolarHBondContact O-N 2.77Å; F226-I228 PolarHBondContact O-N 2.9Å; I228-K231 PolarHBondContact O-N 3.43Å; I228-K232 WeakPolarHBondContact O-CB 3.17Å; I228-K232 PolarHBondContact O-N 3.41Å
229	K	72.9	Confident	67.9	Low	79 Å²	79	88 Å²	88	34%	0.343	44%	0.441	S	S	.	.	H	α-helix	trans	-72.3	-37.9	-177.2	-168	159.2	160.9	-162.8	0	111.6	W167 M225 F226 K232 L233	W167-K229 HydrophobicContact CD2-CD 4.32Å; W167-K229 HydrophobicContact CE3-CD 4.04Å; W167-K229 HydrophobicContact CE3-CG 4.15Å; W167-K229 HydrophobicContact CH2-CB 3.59Å; W167-K229 HydrophobicContact CH2-CD 3.37Å; W167-K229 HydrophobicContact CH2-CG 3.64Å; W167-K229 HydrophobicContact CZ2-CD 3.66Å; W167-K229 HydrophobicContact CZ2-CG 4.42Å; W167-K229 HydrophobicContact CZ3-CB 3.71Å; W167-K229 HydrophobicContact CZ3-CD 3.57Å; W167-K229 HydrophobicContact CZ3-CG 3.47Å; W167-K229 VanDerWaalsContact CZ3-CG 3.47Å; M225-K229 VanDerWaalsContact O-CB 3.29Å; M225-K229 WeakPolarHBondContact O-CB 3.37Å; M225-K229 PolarHBondContact O-N 3.42Å; F226-K229 PolarHBondContact O-N 3.41Å; K229-K232 PolarHBondContact O-N 3.14Å; K229-L233 VanDerWaalsContact O-CB 3.32Å; K229-L233 WeakPolarHBondContact O-CB 3.49Å; K229-L233 PolarHBondContact O-N 3.15Å
230	C	69.4	Low	67.3	Low	18 Å²	18	85.8 Å²	85.8	12%	0.122	44%	0.44	C	S	.	.	H	α-helix	trans	-60.7	-45.6	169.4	-78	0	0	0	0	111.8	M168 F226 K232 L233 C234	M168-C230 HydrophobicContact CE-CB 4.15Å; M168-C230 WeakPolarHBondContact CE-SG 3.5Å; F226-C230 WeakPolarHBondContact CZ-SG 3.21Å; F226-C230 VanDerWaalsContact O-CB 3.24Å; F226-C230 WeakPolarHBondContact O-CB 3.45Å; F226-C230 PolarHBondContact O-N 3.5Å; F226-C230 PolarHBondContact O-SG 3.43Å; F226-C230 VanDerWaalsContact O-SG 3.35Å; C230-K232 PolarHBondContact O-N 3.43Å; C230-L233 PolarHBondContact O-N 3.12Å; C230-C234 WeakPolarHBondContact O-CB 3.47Å; C230-C234 PolarHBondContact O-N 2.8Å
231	K	73.9	Confident	66.6	Low	152 Å²	152	84.1 Å²	84.1	66%	0.661	44%	0.436	S	S	*	.	H	α-helix	trans	-62	-44	176.5	-173.2	175.6	-179.8	177.8	0	111.4	L227 I228 C234 L235	L227-K231 VanDerWaalsContact O-CB 3.24Å; L227-K231 WeakPolarHBondContact O-CB 3.47Å; L227-K231 PolarHBondContact O-N 2.81Å; I228-K231 PolarHBondContact O-N 3.43Å; K231-C234 PolarHBondContact O-N 3.31Å; K231-L235 HydrophobicContact CG-CD1 4.24Å; K231-L235 WeakPolarHBondContact O-CB 3.28Å; K231-L235 PolarHBondContact O-N 3.03Å
232	K	75.2	Confident	65.8	Low	119 Å²	119	86.6 Å²	86.6	52%	0.517	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-40.3	178.4	-164.7	177.4	-173.5	-178	0	112.2	Q98 I228 K229 C230 K236	Q98-K232 VanDerWaalsContact NE2-NZ 3.15Å; I228-K232 WeakPolarHBondContact O-CB 3.17Å; I228-K232 PolarHBondContact O-N 3.41Å; K229-K232 PolarHBondContact O-N 3.14Å; C230-K232 PolarHBondContact O-N 3.43Å; K232-K236 WeakPolarHBondContact O-CB 3.45Å; K232-K236 PolarHBondContact O-N 3.43Å
233	L	70.7	Confident	64.6	Low	26 Å²	26	92.1 Å²	92.1	14%	0.136	47%	0.466	C	S	.	.	H	α-helix	trans	-70.3	-43.1	176.3	-173.6	66	0	0	0	111.3	Q164 K229 C230 L235 K236 V237	Q164-L233 HydrophobicContact CB-CD1 4.02Å; Q164-L233 HydrophobicContact CG-CD1 4.44Å; Q164-L233 WeakPolarHBondContact O-CD2 3.41Å; K229-L233 VanDerWaalsContact O-CB 3.32Å; K229-L233 WeakPolarHBondContact O-CB 3.49Å; K229-L233 PolarHBondContact O-N 3.15Å; C230-L233 PolarHBondContact O-N 3.12Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 2.8Å; L233-K236 CarbonylContact O-C 3.56Å; L233-K236 WeakPolarHBondContact O-CA 3.27Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 3.07Å; L233-V237 HydrophobicContact CD1-CG2 4.19Å; L233-V237 HydrophobicContact CG-CG2 4.17Å; L233-V237 WeakPolarHBondContact O-CB 3.37Å; L233-V237 WeakPolarHBondContact O-CG2 3.47Å; L233-V237 PolarHBondContact O-N 2.89Å
234	C	64.8	Low	64	Low	82 Å²	82	95.5 Å²	95.5	55%	0.554	48%	0.477	S	S	*	.	H	α-helix	trans	-59.1	-44.2	174.3	-170.3	0	0	0	0	110.8	C230 K231 K236 V237 F238	C230-C234 WeakPolarHBondContact O-CB 3.47Å; C230-C234 PolarHBondContact O-N 2.8Å; K231-C234 PolarHBondContact O-N 3.31Å; C234-K236 VanDerWaalsContact C-N 3.35Å; C234-K236 PolarHBondContact O-N 3.43Å; C234-V237 PolarHBondContact O-N 2.92Å; C234-F238 WeakPolarHBondContact O-CB 3.38Å; C234-F238 PolarHBondContact O-N 3.35Å
235	L	68.8	Low	63.1	Low	106 Å²	106	94.9 Å²	94.9	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-56.8	-45.7	170.3	-92.1	151	0	0	0	112	K231 L233 F238 H239	K231-L235 HydrophobicContact CG-CD1 4.24Å; K231-L235 WeakPolarHBondContact O-CB 3.28Å; K231-L235 PolarHBondContact O-N 3.03Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 2.8Å; L235-F238 PolarHBondContact O-N 3.43Å; L235-H239 WeakPolarHBondContact O-CB 3.34Å; L235-H239 PolarHBondContact O-N 3.28Å
236	K	67.1	Low	62	Low	152 Å²	152	99.6 Å²	99.6	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-66.9	-42.2	-179.7	-157.3	173.9	-170.3	-178.2	0	112.5	K232 L233 C234 S240	K232-K236 WeakPolarHBondContact O-CB 3.45Å; K232-K236 PolarHBondContact O-N 3.43Å; L233-K236 CarbonylContact O-C 3.56Å; L233-K236 WeakPolarHBondContact O-CA 3.27Å; L233-K236 WeakPolarHBondContact O-CB 3.49Å; L233-K236 PolarHBondContact O-N 3.07Å; C234-K236 VanDerWaalsContact C-N 3.35Å; C234-K236 PolarHBondContact O-N 3.43Å; K236-S240 VanDerWaalsContact O-CB 3.24Å; K236-S240 WeakPolarHBondContact O-CB 3.41Å; K236-S240 PolarHBondContact O-N 3.41Å
237	V	65.3	Low	61.2	Low	88 Å²	88	101 Å²	101	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-73.7	-24.8	177.8	173	0	0	0	0	111.8	L233 C234 P241	L233-V237 HydrophobicContact CD1-CG2 4.19Å; L233-V237 HydrophobicContact CG-CG2 4.17Å; L233-V237 WeakPolarHBondContact O-CB 3.37Å; L233-V237 WeakPolarHBondContact O-CG2 3.47Å; L233-V237 PolarHBondContact O-N 2.89Å; C234-V237 PolarHBondContact O-N 2.92Å; V237-P241 WeakPolarHBondContact O-CD 3.3Å; V237-P241 WeakPolarHBondContact O-CG 3.13Å
238	F	57.2	Low	60.5	Low	147 Å²	147	101.2 Å²	101.2	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-86.7	-34.2	175.4	-162.1	-99.4	0	0	0	111.5	C234 L235 P241 I242	C234-F238 WeakPolarHBondContact O-CB 3.38Å; C234-F238 PolarHBondContact O-N 3.35Å; L235-F238 PolarHBondContact O-N 3.43Å; F238-P241 WeakPolarHBondContact O-CD 3.44Å; F238-P241 WeakPolarHBondContact O-CG 3.47Å; F238-I242 HydrophobicContact CD1-CD1 3.66Å; F238-I242 HydrophobicContact CE1-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CD1 4.48Å; F238-I242 VanDerWaalsContact O-CD1 3.24Å; F238-I242 WeakPolarHBondContact O-CD1 3.43Å; F238-I242 VanDerWaalsContact O-CG1 3.24Å; F238-I242 WeakPolarHBondContact O-CG1 3.22Å
239	H	53.4	Low	59.2	Low	126 Å²	126	102 Å²	102	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-77.6	-33.2	177.7	-139.8	79.1	0	0	0	113.2	L235 I242 H243	L235-H239 WeakPolarHBondContact O-CB 3.34Å; L235-H239 PolarHBondContact O-N 3.28Å; H239-I242 PolarHBondContact O-N 3.05Å; H239-H243 PolarHBondContact O-N 2.98Å
240	S	53	Low	58.1	Low	76 Å²	76	102.2 Å²	102.2	53%	0.531	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.2	-165.7	0	0	0	0	114.9	K236 H243 L244	K236-S240 VanDerWaalsContact O-CB 3.24Å; K236-S240 WeakPolarHBondContact O-CB 3.41Å; K236-S240 PolarHBondContact O-N 3.41Å; S240-H243 PolarHBondContact O-N 3.05Å; S240-L244 PolarHBondContact O-N 3.05Å; S240-L244 VanDerWaalsContact O-N 3.1Å
241	P	50.9	Low	56.8	Low	59 Å²	59	104 Å²	104	38%	0.383	55%	0.549	S	S	.	.	H	α-helix	trans	-74.4	-29.1	176.4	26.9	-33.4	0	0	0	112.2	V237 F238 H243 L244 L245	V237-P241 WeakPolarHBondContact O-CD 3.3Å; V237-P241 WeakPolarHBondContact O-CG 3.13Å; F238-P241 WeakPolarHBondContact O-CD 3.44Å; F238-P241 WeakPolarHBondContact O-CG 3.47Å; P241-H243 VanDerWaalsContact C-N 3.35Å; P241-L244 PolarHBondContact O-N 2.99Å; P241-L245 WeakPolarHBondContact O-CB 3.4Å; P241-L245 WeakPolarHBondContact O-CD1 3.32Å; P241-L245 PolarHBondContact O-N 3.15Å
242	I	51.7	Low	55.4	Low	85 Å²	85	105 Å²	105	44%	0.436	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-40	172.6	-64.2	167.8	0	0	0	110.3	F238 H239 L244 L245 H246	F238-I242 HydrophobicContact CD1-CD1 3.66Å; F238-I242 HydrophobicContact CE1-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CD1 4.48Å; F238-I242 VanDerWaalsContact O-CD1 3.24Å; F238-I242 WeakPolarHBondContact O-CD1 3.43Å; F238-I242 VanDerWaalsContact O-CG1 3.24Å; F238-I242 WeakPolarHBondContact O-CG1 3.22Å; H239-I242 PolarHBondContact O-N 3.05Å; I242-L244 VanDerWaalsContact C-N 3.34Å; I242-L245 PolarHBondContact O-N 3.41Å; I242-H246 VanDerWaalsContact O-CB 3.22Å; I242-H246 WeakPolarHBondContact O-CB 3.45Å; I242-H246 PolarHBondContact O-N 3.34Å
243	H	44.7	Very low	54	Low	125 Å²	125	104.9 Å²	104.9	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-67.5	-34.5	175	-147.7	-71.6	0	0	0	112.2	H239 S240 P241 V247	H239-H243 PolarHBondContact O-N 2.98Å; S240-H243 PolarHBondContact O-N 3.05Å; P241-H243 VanDerWaalsContact C-N 3.35Å; H243-V247 WeakPolarHBondContact O-CB 3.38Å; H243-V247 WeakPolarHBondContact O-CG2 3.23Å; H243-V247 PolarHBondContact O-N 2.96Å
244	L	51.1	Low	52.7	Low	114 Å²	114	109.7 Å²	109.7	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-71.8	-40.6	174.7	-138.1	90.9	0	0	0	112.2	S240 P241 I242 V247 L248	S240-L244 PolarHBondContact O-N 3.05Å; S240-L244 VanDerWaalsContact O-N 3.1Å; P241-L244 PolarHBondContact O-N 2.99Å; I242-L244 VanDerWaalsContact C-N 3.34Å; L244-V247 PolarHBondContact O-N 2.88Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.96Å
245	L	51.6	Low	51.2	Low	125 Å²	125	117.5 Å²	117.5	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-66.6	-39.3	173.9	-103.5	114.6	0	0	0	111.6	P241 I242 L248 N249	P241-L245 WeakPolarHBondContact O-CB 3.4Å; P241-L245 WeakPolarHBondContact O-CD1 3.32Å; P241-L245 PolarHBondContact O-N 3.15Å; I242-L245 PolarHBondContact O-N 3.41Å; L245-L248 PolarHBondContact O-N 3.33Å; L245-N249 WeakPolarHBondContact O-CB 3.38Å; L245-N249 PolarHBondContact O-N 2.73Å
246	H	48.1	Very low	49.8	Very low	129 Å²	129	117.9 Å²	117.9	60%	0.597	62%	0.622	S	S	*	*	H	α-helix	trans	-68.6	-36.6	177.4	-161	-97.1	0	0	0	111.7	I242 T250	I242-H246 VanDerWaalsContact O-CB 3.22Å; I242-H246 WeakPolarHBondContact O-CB 3.45Å; I242-H246 PolarHBondContact O-N 3.34Å; H246-T250 WeakPolarHBondContact O-CB 3.38Å; H246-T250 WeakPolarHBondContact O-CG2 3.26Å; H246-T250 PolarHBondContact O-N 3.24Å; H246-T250 PolarHBondContact O-OG1 3.17Å
247	V	52.8	Low	48.8	Very low	83 Å²	83	117.2 Å²	117.2	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-70.7	-39.6	173.5	170.2	0	0	0	0	112	H243 L244 N249 T250 G251	H243-V247 WeakPolarHBondContact O-CB 3.38Å; H243-V247 WeakPolarHBondContact O-CG2 3.23Å; H243-V247 PolarHBondContact O-N 2.96Å; L244-V247 PolarHBondContact O-N 2.88Å; V247-N249 VanDerWaalsContact C-N 3.35Å; V247-T250 WeakPolarHBondContact CA-OG1 3.47Å; V247-T250 PolarHBondContact O-N 3.38Å; V247-T250 PolarHBondContact O-OG1 3.15Å; V247-G251 PolarHBondContact O-N 3.34Å
248	L	52.8	Low	47.5	Very low	120 Å²	120	119.6 Å²	119.6	63%	0.628	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-34.6	174.2	-76.9	166	0	0	0	112.3	L244 L245	L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.96Å; L245-L248 PolarHBondContact O-N 3.33Å
249	N	46.8	Very low	46.6	Very low	130 Å²	130	124.1 Å²	124.1	70%	0.695	66%	0.659	S	S	*	*	H	α-helix	trans	-78.7	-22.9	178.5	-155.9	32.2	0	0	0	113	L245 V247	L245-N249 WeakPolarHBondContact O-CB 3.38Å; L245-N249 PolarHBondContact O-N 2.73Å; V247-N249 VanDerWaalsContact C-N 3.35Å
250	T	51	Low	46.2	Very low	85 Å²	85	123.4 Å²	123.4	52%	0.521	67%	0.665	S	S	.	*	H	α-helix	trans	-91.1	-15.5	173.4	46.6	0	0	0	0	113.5	H246 V247	H246-T250 WeakPolarHBondContact O-CB 3.38Å; H246-T250 WeakPolarHBondContact O-CG2 3.26Å; H246-T250 PolarHBondContact O-N 3.24Å; H246-T250 PolarHBondContact O-OG1 3.17Å; V247-T250 WeakPolarHBondContact CA-OG1 3.47Å; V247-T250 PolarHBondContact O-N 3.38Å; V247-T250 PolarHBondContact O-OG1 3.15Å
251	G	41	Very low	45.5	Very low	54 Å²	54	126.6 Å²	126.6	56%	0.557	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.9	176.7	0	0	0	0	0	115.7	V247	V247-G251 PolarHBondContact O-N 3.34Å
252	H	45.4	Very low	44.8	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.806	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	3.7	-176.3	-123.3	-73.5	0	0	0	115
253	T	46.3	Very low	44.4	Very low	117 Å²	117	138 Å²	138	72%	0.718	73%	0.732	S	S	*	*	S	Bend	trans	-122.4	40.3	-174.1	-12.7	0	0	0	0	114
254	T	42.7	Very low	44.4	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	74%	0.74	S	S	*	*			trans	-141	85.1	160.2	46.6	0	0	0	0	110.8
255	R	34.3	Very low	44	Very low	247 Å²	247	140 Å²	140	93%	0.932	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.4	158	-93.1	-172.7	-170.4	179.9	3.6	108.1
256	P	38.3	Very low	43.6	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-73	137.3	169.8	28.9	-29	0	0	0	109.9	T258	P256-T258 PolarHBondContact O-N 2.82Å
257	T	46.1	Very low	43.3	Very low	139 Å²	139	141.6 Å²	141.6	85%	0.853	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-50.8	125.7	166.9	37.9	0	0	0	0	111.9
258	T	38.5	Very low	42.7	Very low	137 Å²	137	145.5 Å²	145.5	84%	0.84	78%	0.781	S	S	*	*			trans	-126.2	103.3	155.2	49	0	0	0	0	108.4	P256	P256-T258 PolarHBondContact O-N 2.82Å
259	R	37.1	Very low	41.9	Very low	243 Å²	243	147.4 Å²	147.4	92%	0.917	79%	0.792	S	S	*	*			trans	-103.5	123.7	162.5	-166.6	-165.6	-122.8	-152.1	2.1	105.3
260	P	45.7	Very low	41.6	Very low	110 Å²	110	148.7 Å²	148.7	71%	0.714	80%	0.799	S	S	*	*			trans	-101.6	121.4	160.3	29.7	-17.5	0	0	0	109.6
261	D	38.8	Very low	40.8	Very low	144 Å²	144	154 Å²	154	77%	0.77	82%	0.822	S	S	*	*			trans	31.9	136.2	139.6	-57.6	-23.5	0	0	0	122.6
262	I	35.1	Very low	40.8	Very low	244 Å²	244	163.1 Å²	163.1	100%	1.251	85%	0.846	S	S	*	*			trans	81.1	0	157.4	-57.7	156.6	0	0	0	117

Retrieved 262 of 262 residues in 84.4 ms (Link to these results)

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