A0A087X9V4_POEFO Loading...

Leukotriene C4 synthase

Catalyzes the conjugation of leukotriene A4 with reduced glutathione (GSH) to form leukotriene C4 with high specificity. Can also catalyze the transfer of a glutathionyl group from glutathione (GSH) to 13(S),14(S)-epoxy-docosahexaenoic acid to form maresin conjugate in tissue regeneration 1 (MCTR1), a bioactive lipid mediator that possess potent anti-inflammatory and proresolving actions.

AlphaFold DB , UniProt , Accession A0A087X9V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 139 aa.

						>A0A087X9V4_POEFO|A0A087X9V4
MSDVAPPPCSFLAPPPAGVFSPHGPSLSLTCRPAAMLDEAVGLGAVTVLGVLEQAYFSLQVIYARRKYSVSPPCISGPPEFERIFRAQANCSEYFPIFITILWTSGVFFSQGLSSLCGLLYLYGRLCYFWGYAESAQGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	46.7	Very low	234 Å²	234	139.1 Å²	139.1	100%	1.153	83%	0.834	S	S	*	*				0	111.3	0	-75.9	118.3	106.8	0	0	106.2
2	S	41.1	Very low	46.4	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	84%	0.838	S	S	*	*				-145.8	139.6	52.7	-54.3	0	0	0	0	112.3
3	D	40.8	Very low	46.5	Very low	162 Å²	162	137 Å²	137	87%	0.866	83%	0.826	S	S	*	*			trans	-54.3	129.7	172.9	-64	-70.1	0	0	0	112.2
4	V	49.6	Very low	46.8	Very low	142 Å²	142	135.5 Å²	135.5	86%	0.861	82%	0.821	S	S	*	*			trans	-93	102.5	166.2	172.7	0	0	0	0	107.4
5	A	52.2	Low	47.2	Very low	82 Å²	82	134.2 Å²	134.2	68%	0.678	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.4	141.2	171.5	0	0	0	0	0	110.9
6	P	50.7	Low	47.2	Very low	117 Å²	117	133.5 Å²	133.5	76%	0.76	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.4	149.6	175.5	29.5	-33.4	0	0	0	112.1
7	P	53.6	Low	47.4	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.2	157.6	175.6	29.3	-34	0	0	0	112.2
8	P	45.7	Very low	47.1	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.9	147.1	-171.5	28.1	-34.3	0	0	0	112.9	S10	P8-S10 PolarHBondContact O-N 3.43Å
9	C	40.6	Very low	47	Very low	125 Å²	125	128.7 Å²	128.7	85%	0.845	81%	0.812	S	S	*	*			trans	-57.6	106.9	170.9	-69.6	0	0	0	0	111.1	F11	C9-F11 PolarHBondContact O-N 3.01Å
10	S	47.7	Very low	46.7	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	81%	0.814	S	S	*	*			trans	-68.1	112.2	166.2	-53.7	0	0	0	0	109.3	P8 L12	P8-S10 PolarHBondContact O-N 3.43Å; S10-L12 PolarHBondContact O-N 3.2Å
11	F	42.5	Very low	46.6	Very low	208 Å²	208	130.1 Å²	130.1	91%	0.912	81%	0.806	S	S	*	*			trans	-57.6	105.9	164.6	-89.6	-99.7	0	0	0	109	C9 A13	C9-F11 PolarHBondContact O-N 3.01Å; F11-A13 PolarHBondContact O-N 3.42Å
12	L	42.6	Very low	46.3	Very low	169 Å²	169	123.9 Å²	123.9	89%	0.885	78%	0.783	S	S	*	*			trans	-75.2	115.7	168.8	-156.5	75.4	0	0	0	107.5	S10	S10-L12 PolarHBondContact O-N 3.2Å
13	A	48.6	Very low	46.7	Very low	82 Å²	82	127.1 Å²	127.1	68%	0.678	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-55.6	146.9	174.9	0	0	0	0	0	111.3	F11	F11-A13 PolarHBondContact O-N 3.42Å
14	P	49.8	Very low	46.8	Very low	116 Å²	116	122.1 Å²	122.1	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.4	146	172.9	26.9	-33.2	0	0	0	110.2
15	P	52.8	Low	46.5	Very low	116 Å²	116	121.6 Å²	121.6	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.2	148.9	177.1	26.7	-33.7	0	0	0	110.4	A17	P15-A17 PolarHBondContact O-N 2.99Å
16	P	48.4	Very low	46.1	Very low	123 Å²	123	122.6 Å²	122.6	80%	0.799	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-60	137.9	173.7	26	-32.6	0	0	0	109.2	G18	P16-G18 PolarHBondContact O-N 2.91Å
17	A	49.8	Very low	46.1	Very low	101 Å²	101	124.6 Å²	124.6	84%	0.835	78%	0.777	S	S	*	*			trans	-50.6	105.4	173.2	0	0	0	0	0	109	P15 V19	P15-A17 PolarHBondContact O-N 2.99Å; A17-V19 PolarHBondContact O-N 3.33Å
18	G	41.2	Very low	45.7	Very low	69 Å²	69	123 Å²	123	71%	0.711	77%	0.768	S	S	*	*			trans	-57.8	122	176	0	0	0	0	0	108.7	P16 F20	P16-G18 PolarHBondContact O-N 2.91Å; G18-F20 PolarHBondContact O-N 2.79Å
19	V	46.1	Very low	46	Very low	139 Å²	139	124.8 Å²	124.8	84%	0.842	77%	0.771	S	S	*	*			trans	-49.3	112.6	171	172.4	0	0	0	0	108.4	A17 S21	A17-V19 PolarHBondContact O-N 3.33Å; V19-S21 PolarHBondContact O-N 3.16Å
20	F	40.9	Very low	46.4	Very low	193 Å²	193	123.9 Å²	123.9	85%	0.846	76%	0.762	S	S	*	*			trans	-68	99.6	175.6	-152.5	-93.7	0	0	0	107.8	G18 P22	G18-F20 PolarHBondContact O-N 2.79Å; F20-P22 WeakPolarHBondContact O-CD 3.23Å
21	S	44	Very low	46.6	Very low	94 Å²	94	122.5 Å²	122.5	66%	0.657	75%	0.751	S	S	*	*			trans	-77.1	118.1	175	-167.1	0	0	0	0	109.2	V19 H23	V19-S21 PolarHBondContact O-N 3.16Å; S21-H23 VanDerWaalsContact C-N 3.32Å; S21-H23 PolarHBondContact O-N 3.25Å
22	P	43.6	Very low	47.2	Very low	103 Å²	103	121.3 Å²	121.3	67%	0.669	74%	0.741	S	S	*	*			trans	-94.8	48.7	-173	39.3	-34.4	0	0	0	111.7	F20	F20-P22 WeakPolarHBondContact O-CD 3.23Å
23	H	49.3	Very low	47.8	Very low	182 Å²	182	118 Å²	118	84%	0.843	73%	0.729	S	S	*	*			trans	-124.8	73.7	175.5	-74.7	-57.5	0	0	0	111.3	S21	S21-H23 VanDerWaalsContact C-N 3.32Å; S21-H23 PolarHBondContact O-N 3.25Å
24	G	43.6	Very low	48.2	Very low	56 Å²	56	116.8 Å²	116.8	58%	0.577	72%	0.719	S	S	*	*	S	Bend	trans	-128.8	145.6	155.6	0	0	0	0	0	107.9	S26	G24-S26 PolarHBondContact O-N 3.17Å
25	P	44	Very low	48.6	Very low	132 Å²	132	113.7 Å²	113.7	86%	0.857	70%	0.704	S	S	*	*			trans	-66.6	106.3	-175.3	28.7	-31.7	0	0	0	108	L27	P25-L27 PolarHBondContact O-N 3.21Å
26	S	43.1	Very low	48.9	Very low	102 Å²	102	114.1 Å²	114.1	71%	0.713	70%	0.697	S	S	*	*			trans	-59.2	110	168.7	-159.5	0	0	0	0	106.4	G24 S28	G24-S26 PolarHBondContact O-N 3.17Å; S26-S28 PolarHBondContact O-N 3.02Å; S26-S28 PolarHBondContact O-OG 3.37Å
27	L	50.7	Low	49.5	Very low	160 Å²	160	113.5 Å²	113.5	84%	0.838	69%	0.686	S	S	*	*			trans	-72.8	67.9	168.4	-140	112.6	0	0	0	106.7	P25 L29	P25-L27 PolarHBondContact O-N 3.21Å; L27-L29 PolarHBondContact O-N 2.85Å
28	S	44.6	Very low	50.2	Low	80 Å²	80	114 Å²	114	56%	0.559	68%	0.675	S	S	*	*			trans	-69.2	87.8	170.4	31	0	0	0	0	107.1	S26 T30	S26-S28 PolarHBondContact O-N 3.02Å; S26-S28 PolarHBondContact O-OG 3.37Å; S28-T30 PolarHBondContact O-N 3.15Å; S28-T30 PolarHBondContact O-OG1 3.17Å
29	L	51.6	Low	51.3	Low	157 Å²	157	117.1 Å²	117.1	82%	0.822	67%	0.671	S	S	*	*			trans	-68	50	160.3	-153.8	84	0	0	0	109.3	L27 C31	L27-L29 PolarHBondContact O-N 2.85Å; L29-C31 PolarHBondContact O-N 3.23Å
30	T	50.2	Low	52.6	Low	105 Å²	105	112 Å²	112	64%	0.644	64%	0.644	S	S	*	*			trans	-75.5	81.7	159.8	43.4	0	0	0	0	105.8	S28 R32	S28-T30 PolarHBondContact O-N 3.15Å; S28-T30 PolarHBondContact O-OG1 3.17Å; T30-R32 PolarHBondContact O-N 3.43Å
31	C	51.2	Low	54.8	Low	86 Å²	86	107.1 Å²	107.1	58%	0.581	63%	0.629	S	S	*	*			trans	-58.6	87.6	152.2	-171.8	0	0	0	0	105.4	L29 P33 M36	L29-C31 PolarHBondContact O-N 3.23Å; C31-P33 WeakPolarHBondContact O-CD 3.29Å; C31-P33 VanDerWaalsContact O-N 3.17Å; C31-M36 VanDerWaalsContact SG-CG 3.55Å
32	R	54.1	Low	57.1	Low	183 Å²	183	103.8 Å²	103.8	69%	0.691	61%	0.61	S	S	*	*			trans	-62.8	114.9	171.8	-90.5	-179.6	158.5	169.6	-5	104.8	T30 A34 A35 M36	T30-R32 PolarHBondContact O-N 3.43Å; R32-A34 PolarHBondContact O-N 2.87Å; R32-A35 HydrophobicContact CB-CB 4.08Å; R32-A35 PolarHBondContact O-N 3.36Å; R32-M36 PolarHBondContact O-N 3.44Å
33	P	56.4	Low	59.5	Low	98 Å²	98	99 Å²	99	64%	0.636	58%	0.579	S	S	*	*	H	α-helix	trans	-54.6	-29.5	176.4	-23.1	34	0	0	0	111.3	C31 L37	C31-P33 WeakPolarHBondContact O-CD 3.29Å; C31-P33 VanDerWaalsContact O-N 3.17Å; P33-L37 WeakPolarHBondContact O-CB 3.48Å; P33-L37 WeakPolarHBondContact O-CD1 3.42Å; P33-L37 VanDerWaalsContact O-CG 3.32Å; P33-L37 WeakPolarHBondContact O-CG 3.34Å; P33-L37 PolarHBondContact O-N 3.47Å
34	A	56.9	Low	61.6	Low	57 Å²	57	91.6 Å²	91.6	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-44.8	172.7	0	0	0	0	0	113.6	R32 M36 L37 D38	R32-A34 PolarHBondContact O-N 2.87Å; A34-M36 PolarHBondContact O-N 2.86Å; A34-L37 PolarHBondContact O-N 3.39Å; A34-D38 VanDerWaalsContact O-CG 3.24Å; A34-D38 PolarHBondContact O-N 2.88Å
35	A	58.2	Low	64.1	Low	52 Å²	52	91.4 Å²	91.4	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-69.9	-35	-179	0	0	0	0	0	112.2	R32 L37 E39	R32-A35 HydrophobicContact CB-CB 4.08Å; R32-A35 PolarHBondContact O-N 3.36Å; A35-L37 VanDerWaalsContact C-N 3.35Å; A35-E39 WeakPolarHBondContact O-CG 3.36Å; A35-E39 PolarHBondContact O-N 3.38Å
36	M	58.3	Low	66.6	Low	124 Å²	124	85.3 Å²	85.3	61%	0.611	51%	0.505	S	S	*	.	H	α-helix	trans	-68.4	-33.3	172.2	-75.1	-86.2	-58.8	0	0	112.6	C31 R32 A34 A40	C31-M36 VanDerWaalsContact SG-CG 3.55Å; R32-M36 PolarHBondContact O-N 3.44Å; A34-M36 PolarHBondContact O-N 2.86Å; M36-A40 WeakPolarHBondContact O-CB 3.47Å; M36-A40 PolarHBondContact O-N 3.24Å
37	L	61.7	Low	69.2	Low	111 Å²	111	81.8 Å²	81.8	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-71.5	-42	175.9	-82.2	162	0	0	0	111.2	P33 A34 A35 E39 A40 V41	P33-L37 WeakPolarHBondContact O-CB 3.48Å; P33-L37 WeakPolarHBondContact O-CD1 3.42Å; P33-L37 VanDerWaalsContact O-CG 3.32Å; P33-L37 WeakPolarHBondContact O-CG 3.34Å; P33-L37 PolarHBondContact O-N 3.47Å; A34-L37 PolarHBondContact O-N 3.39Å; A35-L37 VanDerWaalsContact C-N 3.35Å; L37-E39 PolarHBondContact O-N 2.84Å; L37-A40 CarbonylContact O-C 3.49Å; L37-A40 WeakPolarHBondContact O-CA 3.47Å; L37-A40 PolarHBondContact O-N 3.02Å; L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 3.34Å
38	D	64.8	Low	71.5	Confident	112 Å²	112	78.3 Å²	78.3	60%	0.599	46%	0.464	S	S	*	.	H	α-helix	trans	-56.4	-41.9	175.8	-66.5	-32.5	0	0	0	110.8	A34 A40 V41	A34-D38 VanDerWaalsContact O-CG 3.24Å; A34-D38 PolarHBondContact O-N 2.88Å; D38-A40 PolarHBondContact O-N 3.13Å; D38-V41 PolarHBondContact O-N 2.88Å
39	E	63.3	Low	74	Confident	134 Å²	134	78.5 Å²	78.5	63%	0.626	46%	0.458	S	S	*	.	H	α-helix	trans	-77.3	5.9	173.9	-60.8	-68.2	153.6	0	0	114.3	A35 L37 Q111	A35-E39 WeakPolarHBondContact O-CG 3.36Å; A35-E39 PolarHBondContact O-N 3.38Å; L37-E39 PolarHBondContact O-N 2.84Å; E39-Q111 WeakPolarHBondContact O-CG 3.44Å; E39-Q111 PolarHBondContact O-NE2 3.27Å; E39-Q111 PolarHBondContact O-OE1 3.46Å; E39-Q111 PolarHBondContact OE2-OE1 2.86Å
40	A	74.4	Confident	76.2	Confident	32 Å²	32	71 Å²	71	26%	0.264	42%	0.419	S	S	.	.	H	α-helix	trans	-122.2	-16.9	172.8	0	0	0	0	0	112.8	M36 L37 D38 G42 L43 G44	M36-A40 WeakPolarHBondContact O-CB 3.47Å; M36-A40 PolarHBondContact O-N 3.24Å; L37-A40 CarbonylContact O-C 3.49Å; L37-A40 WeakPolarHBondContact O-CA 3.47Å; L37-A40 PolarHBondContact O-N 3.02Å; D38-A40 PolarHBondContact O-N 3.13Å; A40-G42 VanDerWaalsContact C-N 3.3Å; A40-G42 PolarHBondContact O-N 2.9Å; A40-L43 PolarHBondContact O-N 3.24Å; A40-G44 PolarHBondContact O-N 2.91Å
41	V	87.6	Confident	78.5	Confident	89 Å²	89	69.7 Å²	69.7	54%	0.539	41%	0.411	S	S	.	.	H	α-helix	trans	-57.6	-39.9	-176.6	165.2	0	0	0	0	111.9	L37 D38 G44 A45	L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 3.34Å; D38-V41 PolarHBondContact O-N 2.88Å; V41-G44 PolarHBondContact O-N 3.35Å; V41-A45 VanDerWaalsContact O-CB 3.23Å; V41-A45 WeakPolarHBondContact O-CB 3.49Å; V41-A45 PolarHBondContact O-N 3.25Å
42	G	90.6	Very high	80.7	Confident	24 Å²	24	70.6 Å²	70.6	25%	0.247	41%	0.409	C	S	.	.	H	α-helix	trans	-61	-53.2	178.4	0	0	0	0	0	113.2	A40 G44 A45 V46	A40-G42 VanDerWaalsContact C-N 3.3Å; A40-G42 PolarHBondContact O-N 2.9Å; G42-G44 VanDerWaalsContact C-N 3.32Å; G42-G44 PolarHBondContact O-N 3.37Å; G42-A45 PolarHBondContact O-N 3.49Å; G42-V46 WeakPolarHBondContact O-CG2 3.36Å; G42-V46 PolarHBondContact O-N 3.06Å
43	L	94.5	Very high	82.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-39.4	178.6	-57.6	172.3	0	0	0	111.5	A40 V46 T47 L102 Q111 S115	A40-L43 PolarHBondContact O-N 3.24Å; L43-V46 PolarHBondContact O-N 3.29Å; L43-T47 WeakPolarHBondContact O-CB 3.35Å; L43-T47 PolarHBondContact O-N 3.25Å; L43-T47 PolarHBondContact O-OG1 3.49Å; L43-L102 HydrophobicContact CD2-CD1 3.87Å; L43-L102 HydrophobicContact CD2-CG 4.12Å; L43-Q111 HydrophobicContact CD1-CG 3.85Å; L43-Q111 HydrophobicContact CD2-CG 4.24Å; L43-Q111 HydrophobicContact CG-CG 3.67Å; L43-S115 PolarHBondContact N-OG 3.43Å
44	G	94.8	Very high	84.8	Confident	26 Å²	26	59.4 Å²	59.4	27%	0.268	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-47.7	175.6	0	0	0	0	0	111.9	A40 V41 G42 V46 T47 V48	A40-G44 PolarHBondContact O-N 2.91Å; V41-G44 PolarHBondContact O-N 3.35Å; G42-G44 VanDerWaalsContact C-N 3.32Å; G42-G44 PolarHBondContact O-N 3.37Å; G44-V46 PolarHBondContact O-N 2.91Å; G44-T47 WeakPolarHBondContact O-CB 3.18Å; G44-T47 PolarHBondContact O-N 3.49Å; G44-V48 WeakPolarHBondContact O-CG2 3.48Å; G44-V48 PolarHBondContact O-N 2.96Å
45	A	95.1	Very high	86.7	Confident	51 Å²	51	58.8 Å²	58.8	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-46.1	177.4	0	0	0	0	0	111.8	V41 G42 T47 V48 L49	V41-A45 VanDerWaalsContact O-CB 3.23Å; V41-A45 WeakPolarHBondContact O-CB 3.49Å; V41-A45 PolarHBondContact O-N 3.25Å; G42-A45 PolarHBondContact O-N 3.49Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.14Å; A45-V48 PolarHBondContact O-N 3.05Å; A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 WeakPolarHBondContact O-CG 3.48Å; A45-L49 PolarHBondContact O-N 2.92Å
46	V	97	Very high	88.6	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-39.6	176.4	175.2	0	0	0	0	111.4	G42 L43 G44 L49 G50 F98 L102 L119 L122	G42-V46 WeakPolarHBondContact O-CG2 3.36Å; G42-V46 PolarHBondContact O-N 3.06Å; L43-V46 PolarHBondContact O-N 3.29Å; G44-V46 PolarHBondContact O-N 2.91Å; V46-L49 PolarHBondContact O-N 3.49Å; V46-G50 PolarHBondContact O-N 3.13Å; V46-F98 HydrophobicContact CG1-CZ 3.97Å; V46-L102 HydrophobicContact CB-CD2 4.19Å; V46-L102 HydrophobicContact CG1-CD1 4.27Å; V46-L102 HydrophobicContact CG1-CD2 3.75Å; V46-L119 HydrophobicContact CG2-CD2 3.97Å; V46-L119 HydrophobicContact CG2-CG 3.96Å; V46-L122 HydrophobicContact CG1-CD1 4.1Å
47	T	97.6	Very high	90.4	Very high	27 Å²	27	54.2 Å²	54.2	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-46.6	176.1	-60.6	0	0	0	0	111.2	L43 G44 A45 L49 G50 V51 I99 W103	L43-T47 WeakPolarHBondContact O-CB 3.35Å; L43-T47 PolarHBondContact O-N 3.25Å; L43-T47 PolarHBondContact O-OG1 3.49Å; G44-T47 WeakPolarHBondContact O-CB 3.18Å; G44-T47 PolarHBondContact O-N 3.49Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.14Å; T47-L49 PolarHBondContact O-N 2.89Å; T47-G50 PolarHBondContact O-N 2.78Å; T47-V51 WeakPolarHBondContact O-CG2 3.49Å; T47-V51 PolarHBondContact O-N 3.02Å; T47-I99 HydrophobicContact CG2-CD1 3.87Å; T47-W103 PolarHBondContact OG1-NE1 3.03Å
48	V	97.8	Very high	92.1	Very high	87 Å²	87	51.1 Å²	51.1	53%	0.527	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-44.4	176.6	171.3	0	0	0	0	111	G44 A45 G50 V51 L52	G44-V48 WeakPolarHBondContact O-CG2 3.48Å; G44-V48 PolarHBondContact O-N 2.96Å; A45-V48 PolarHBondContact O-N 3.05Å; V48-G50 VanDerWaalsContact C-N 3.32Å; V48-G50 PolarHBondContact O-N 3.16Å; V48-V51 PolarHBondContact O-N 3.22Å; V48-L52 HydrophobicContact CG1-CD1 4.22Å; V48-L52 WeakPolarHBondContact O-CG 3.24Å; V48-L52 PolarHBondContact O-N 2.77Å
49	L	97.8	Very high	93.7	Very high	84 Å²	84	51 Å²	51	44%	0.44	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-43.1	174.9	-74.7	172.2	0	0	0	111.8	A45 V46 T47 V51 L52 E53 L119 L122	A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 WeakPolarHBondContact O-CG 3.48Å; A45-L49 PolarHBondContact O-N 2.92Å; V46-L49 PolarHBondContact O-N 3.49Å; T47-L49 PolarHBondContact O-N 2.89Å; L49-V51 PolarHBondContact O-N 3.1Å; L49-L52 PolarHBondContact O-N 3.47Å; L49-E53 PolarHBondContact O-N 3.46Å; L49-L119 HydrophobicContact CD1-CD2 3.86Å; L49-L122 HydrophobicContact CB-CD1 3.84Å
50	G	97.6	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-38.7	176	0	0	0	0	0	113.3	V46 T47 V48 E53 Q54	V46-G50 PolarHBondContact O-N 3.13Å; T47-G50 PolarHBondContact O-N 2.78Å; V48-G50 VanDerWaalsContact C-N 3.32Å; V48-G50 PolarHBondContact O-N 3.16Å; G50-E53 PolarHBondContact O-N 3.05Å; G50-Q54 WeakPolarHBondContact O-CG 3.28Å; G50-Q54 PolarHBondContact O-N 3.42Å
51	V	98.1	Very high	96.3	Very high	78 Å²	78	46.3 Å²	46.3	47%	0.473	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-42.4	173.1	172.9	0	0	0	0	111.1	T47 V48 L49 E53 Q54 A55 F95	T47-V51 WeakPolarHBondContact O-CG2 3.49Å; T47-V51 PolarHBondContact O-N 3.02Å; V48-V51 PolarHBondContact O-N 3.22Å; L49-V51 PolarHBondContact O-N 3.1Å; V51-E53 VanDerWaalsContact C-N 3.33Å; V51-E53 PolarHBondContact O-N 3.36Å; V51-Q54 PolarHBondContact O-N 3Å; V51-A55 WeakPolarHBondContact O-CB 3.34Å; V51-A55 PolarHBondContact O-N 2.87Å; V51-F95 HydrophobicContact CG2-CE1 4.37Å; V51-F95 HydrophobicContact CG2-CZ 3.86Å
52	L	98.2	Very high	96.7	Very high	105 Å²	105	45.8 Å²	45.8	55%	0.55	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-38.4	176.7	-69	173.4	0	0	0	111.9	V48 L49 A55 Y56	V48-L52 HydrophobicContact CG1-CD1 4.22Å; V48-L52 WeakPolarHBondContact O-CG 3.24Å; V48-L52 PolarHBondContact O-N 2.77Å; L49-L52 PolarHBondContact O-N 3.47Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 2.88Å; L52-Y56 WeakPolarHBondContact O-CB 3.5Å; L52-Y56 PolarHBondContact O-N 3.03Å
53	E	97.6	Very high	97	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-47.5	173.4	-179.9	177.8	-122.3	0	0	111.6	L49 G50 V51 A55 Y56 F57 L122 L126	L49-E53 PolarHBondContact O-N 3.46Å; G50-E53 PolarHBondContact O-N 3.05Å; V51-E53 VanDerWaalsContact C-N 3.33Å; V51-E53 PolarHBondContact O-N 3.36Å; E53-A55 VanDerWaalsContact C-N 3.29Å; E53-A55 PolarHBondContact O-N 3.33Å; E53-Y56 WeakPolarHBondContact O-CA 3.43Å; E53-Y56 WeakPolarHBondContact O-CB 3.46Å; E53-Y56 PolarHBondContact O-N 3.01Å; E53-Y56 VanDerWaalsContact O-N 3.1Å; E53-F57 HydrophobicContact CG-CD2 4.18Å; E53-F57 HydrophobicContact CG-CE1 4.06Å; E53-F57 HydrophobicContact CG-CE2 3.43Å; E53-F57 VanDerWaalsContact CG-CE2 3.43Å; E53-F57 HydrophobicContact CG-CZ 3.35Å; E53-F57 WeakPolarHBondContact O-CG 3.49Å; E53-F57 PolarHBondContact O-N 3.49Å; E53-L122 VanDerWaalsContact OE2-CD2 3.25Å; E53-L122 WeakPolarHBondContact OE2-CD2 3.45Å; E53-L126 WeakPolarHBondContact OE1-CB 3.4Å; E53-L126 PolarHBondContact OE1-N 3.31Å
54	Q	97.9	Very high	97	Very high	22 Å²	22	51.2 Å²	51.2	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-36.7	176.2	-69.4	-60.3	101.4	0	0	112.5	G50 V51 F57 S58 S92 F95	G50-Q54 WeakPolarHBondContact O-CG 3.28Å; G50-Q54 PolarHBondContact O-N 3.42Å; V51-Q54 PolarHBondContact O-N 3Å; Q54-F57 PolarHBondContact O-N 3.07Å; Q54-F57 VanDerWaalsContact OE1-CD2 3.28Å; Q54-S58 WeakPolarHBondContact O-CB 3.47Å; Q54-S58 PolarHBondContact O-N 3.22Å; Q54-S58 PolarHBondContact O-OG 3.49Å; Q54-S92 VanDerWaalsContact NE2-CA 3.29Å; Q54-S92 PolarHBondContact NE2-OG 3.43Å; Q54-S92 VanDerWaalsContact NE2-OG 3.13Å; Q54-F95 HydrophobicContact CG-CB 4.4Å; Q54-F95 HydrophobicContact CG-CD1 4.37Å; Q54-F95 HydrophobicContact CG-CD2 3.63Å; Q54-F95 HydrophobicContact CG-CE2 3.91Å; Q54-F95 HydrophobicContact CG-CG 3.88Å; Q54-F95 HydrophobicContact CG-CZ 4.38Å
55	A	98.1	Very high	97	Very high	44 Å²	44	52 Å²	52	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-43.5	172.5	0	0	0	0	0	111.2	V51 L52 E53 S58 L59	V51-A55 WeakPolarHBondContact O-CB 3.34Å; V51-A55 PolarHBondContact O-N 2.87Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 2.88Å; E53-A55 VanDerWaalsContact C-N 3.29Å; E53-A55 PolarHBondContact O-N 3.33Å; A55-S58 WeakPolarHBondContact O-CB 3.48Å; A55-S58 PolarHBondContact O-N 3.42Å; A55-L59 WeakPolarHBondContact O-CG 3.45Å; A55-L59 PolarHBondContact O-N 3.28Å
56	Y	97.8	Very high	97	Very high	80 Å²	80	58.9 Å²	58.9	31%	0.314	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-49	174.7	168.4	-95.2	0	0	0	111.8	L52 E53 S58 L59 Q60 L126 W130	L52-Y56 WeakPolarHBondContact O-CB 3.5Å; L52-Y56 PolarHBondContact O-N 3.03Å; E53-Y56 WeakPolarHBondContact O-CA 3.43Å; E53-Y56 WeakPolarHBondContact O-CB 3.46Å; E53-Y56 PolarHBondContact O-N 3.01Å; E53-Y56 VanDerWaalsContact O-N 3.1Å; Y56-S58 VanDerWaalsContact C-N 3.28Å; Y56-S58 PolarHBondContact O-N 3.17Å; Y56-L59 WeakPolarHBondContact O-CB 3.2Å; Y56-L59 PolarHBondContact O-N 2.89Å; Y56-L59 VanDerWaalsContact O-N 3.14Å; Y56-Q60 HydrophobicContact CD1-CG 4.42Å; Y56-Q60 HydrophobicContact CE1-CG 3.91Å; Y56-Q60 HydrophobicContact CE2-CG 4.13Å; Y56-Q60 WeakPolarHBondContact O-CG 3.41Å; Y56-Q60 PolarHBondContact O-N 3.23Å; Y56-Q60 PolarHBondContact OH-NE2 2.91Å; Y56-L126 HydrophobicContact CE1-CD1 4.2Å; Y56-W130 PolarHBondContact OH-NE1 3.42Å
57	F	96.9	Very high	96.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-38.9	176.5	-60.8	-28.6	0	0	0	112.4	E53 Q54 Q60 V61 Q88 C91 L126 F129	E53-F57 HydrophobicContact CG-CD2 4.18Å; E53-F57 HydrophobicContact CG-CE1 4.06Å; E53-F57 HydrophobicContact CG-CE2 3.43Å; E53-F57 VanDerWaalsContact CG-CE2 3.43Å; E53-F57 HydrophobicContact CG-CZ 3.35Å; E53-F57 WeakPolarHBondContact O-CG 3.49Å; E53-F57 PolarHBondContact O-N 3.49Å; Q54-F57 PolarHBondContact O-N 3.07Å; Q54-F57 VanDerWaalsContact OE1-CD2 3.28Å; F57-Q60 WeakPolarHBondContact O-CB 3.43Å; F57-Q60 PolarHBondContact O-N 2.95Å; F57-V61 PolarHBondContact O-N 3.48Å; F57-Q88 HydrophobicContact CB-CB 4.25Å; F57-Q88 HydrophobicContact CB-CG 3.93Å; F57-C91 HydrophobicContact CD2-CB 3.84Å; F57-C91 HydrophobicContact CE2-CB 3.88Å; F57-L126 HydrophobicContact CE1-CD1 4.02Å; F57-L126 HydrophobicContact CZ-CD1 4.46Å; F57-F129 HydrophobicContact CB-CD2 4.17Å; F57-F129 HydrophobicContact CB-CE2 3.82Å; F57-F129 HydrophobicContact CB-CZ 4.24Å; F57-F129 HydrophobicContact CD1-CB 3.96Å; F57-F129 AromaticContact CD1-CD1 3.56Å; F57-F129 HydrophobicContact CD1-CD1 3.56Å; F57-F129 AromaticContact CD1-CD2 3.43Å; F57-F129 HydrophobicContact CD1-CD2 3.43Å; F57-F129 VanDerWaalsContact CD1-CD2 3.43Å; F57-F129 AromaticContact CD1-CE1 3.84Å; F57-F129 HydrophobicContact CD1-CE1 3.84Å; F57-F129 AromaticContact CD1-CE2 3.73Å; F57-F129 HydrophobicContact CD1-CE2 3.73Å; F57-F129 AromaticContact CD1-CG 3.34Å; F57-F129 HydrophobicContact CD1-CG 3.34Å; F57-F129 AromaticContact CD1-CZ 3.92Å; F57-F129 HydrophobicContact CD1-CZ 3.92Å; F57-F129 HydrophobicContact CD2-CD2 4.23Å; F57-F129 HydrophobicContact CE1-CB 3.4Å; F57-F129 AromaticContact CE1-CD1 3.66Å; F57-F129 HydrophobicContact CE1-CD1 3.66Å; F57-F129 AromaticContact CE1-CD2 3.83Å; F57-F129 HydrophobicContact CE1-CD2 3.83Å; F57-F129 HydrophobicContact CE1-CE1 4.4Å; F57-F129 AromaticContact CE1-CG 3.33Å; F57-F129 HydrophobicContact CE1-CG 3.33Å; F57-F129 HydrophobicContact CE2-CB 4.44Å; F57-F129 AromaticContact CG-CD2 3.69Å; F57-F129 HydrophobicContact CG-CD2 3.69Å; F57-F129 AromaticContact CG-CE2 3.86Å; F57-F129 HydrophobicContact CG-CE2 3.86Å; F57-F129 HydrophobicContact CG-CG 4.08Å; F57-F129 HydrophobicContact CG-CZ 4.36Å; F57-F129 HydrophobicContact CZ-CB 3.68Å; F57-F129 HydrophobicContact CZ-CD2 4.36Å; F57-F129 HydrophobicContact CZ-CG 4.02Å
58	S	96.9	Very high	96.8	Very high	46 Å²	46	66 Å²	66	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175.9	-57.5	0	0	0	0	111.8	Q54 A55 Y56 Q60 V61 I62	Q54-S58 WeakPolarHBondContact O-CB 3.47Å; Q54-S58 PolarHBondContact O-N 3.22Å; Q54-S58 PolarHBondContact O-OG 3.49Å; A55-S58 WeakPolarHBondContact O-CB 3.48Å; A55-S58 PolarHBondContact O-N 3.42Å; Y56-S58 VanDerWaalsContact C-N 3.28Å; Y56-S58 PolarHBondContact O-N 3.17Å; S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.32Å; S58-V61 PolarHBondContact O-N 2.96Å; S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.22Å
59	L	97.5	Very high	96.6	Very high	110 Å²	110	66.8 Å²	66.8	58%	0.576	33%	0.33	S	S	*	.	H	α-helix	trans	-63.7	-38.3	174.4	-70	173	0	0	0	112	A55 Y56 V61 I62 Y63	A55-L59 WeakPolarHBondContact O-CG 3.45Å; A55-L59 PolarHBondContact O-N 3.28Å; Y56-L59 WeakPolarHBondContact O-CB 3.2Å; Y56-L59 PolarHBondContact O-N 2.89Å; Y56-L59 VanDerWaalsContact O-N 3.14Å; L59-V61 VanDerWaalsContact C-N 3.35Å; L59-V61 PolarHBondContact O-N 3.37Å; L59-I62 HydrophobicContact CD2-CD1 4.39Å; L59-I62 PolarHBondContact O-N 2.87Å; L59-Y63 WeakPolarHBondContact O-CB 3.23Å; L59-Y63 PolarHBondContact O-N 3.27Å
60	Q	96.3	Very high	96.4	Very high	58 Å²	58	63.3 Å²	63.3	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-40.5	174.9	-67.7	-57.5	-30.9	0	0	112.1	Y56 F57 S58 Y63 A64 I84 F129	Y56-Q60 HydrophobicContact CD1-CG 4.42Å; Y56-Q60 HydrophobicContact CE1-CG 3.91Å; Y56-Q60 HydrophobicContact CE2-CG 4.13Å; Y56-Q60 WeakPolarHBondContact O-CG 3.41Å; Y56-Q60 PolarHBondContact O-N 3.23Å; Y56-Q60 PolarHBondContact OH-NE2 2.91Å; F57-Q60 WeakPolarHBondContact O-CB 3.43Å; F57-Q60 PolarHBondContact O-N 2.95Å; S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.32Å; Q60-Y63 PolarHBondContact O-N 3.29Å; Q60-A64 WeakPolarHBondContact O-CB 3.4Å; Q60-A64 PolarHBondContact O-N 2.74Å; Q60-I84 HydrophobicContact CB-CG2 4.4Å; Q60-F129 HydrophobicContact CB-CE1 4.01Å; Q60-F129 HydrophobicContact CB-CZ 3.76Å; Q60-F129 HydrophobicContact CG-CE1 3.99Å; Q60-F129 HydrophobicContact CG-CZ 4.23Å
61	V	96.3	Very high	96.1	Very high	10 Å²	10	67.3 Å²	67.3	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-44.1	172.6	171.9	0	0	0	0	111.1	F57 S58 L59 Y63 A64 R65 I84 F85 Q88	F57-V61 PolarHBondContact O-N 3.48Å; S58-V61 PolarHBondContact O-N 2.96Å; L59-V61 VanDerWaalsContact C-N 3.35Å; L59-V61 PolarHBondContact O-N 3.37Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.34Å; V61-A64 PolarHBondContact O-N 3.01Å; V61-R65 HydrophobicContact CG1-CG 4.46Å; V61-R65 WeakPolarHBondContact O-CG 3.42Å; V61-R65 PolarHBondContact O-N 3.4Å; V61-I84 HydrophobicContact CG2-CG2 4.03Å; V61-F85 HydrophobicContact CG1-CD2 3.77Å; V61-F85 HydrophobicContact CG1-CE2 4.37Å; V61-Q88 HydrophobicContact CG2-CB 3.48Å; V61-Q88 VanDerWaalsContact CG2-CB 3.48Å; V61-Q88 HydrophobicContact CG2-CG 3.77Å
62	I	96.8	Very high	95.8	Very high	77 Å²	77	68.5 Å²	68.5	40%	0.395	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-43	177.4	-67.5	164.2	0	0	0	110.8	S58 L59 R65 R66	S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.22Å; L59-I62 HydrophobicContact CD2-CD1 4.39Å; L59-I62 PolarHBondContact O-N 2.87Å; I62-R65 PolarHBondContact O-N 3.1Å; I62-R66 WeakPolarHBondContact O-CG 3.44Å; I62-R66 PolarHBondContact O-N 3.04Å; I62-R66 VanDerWaalsContact O-N 3.17Å
63	Y	95.8	Very high	95.5	Very high	141 Å²	141	69.8 Å²	69.8	55%	0.553	36%	0.364	S	S	*	.	H	α-helix	trans	-62.5	-45.4	175.2	176.8	-104.6	0	0	0	111.6	L59 Q60 V61 R65 R66 K67	L59-Y63 WeakPolarHBondContact O-CB 3.23Å; L59-Y63 PolarHBondContact O-N 3.27Å; Q60-Y63 PolarHBondContact O-N 3.29Å; V61-Y63 VanDerWaalsContact C-N 3.32Å; V61-Y63 PolarHBondContact O-N 3.34Å; Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3Å; Y63-R66 WeakPolarHBondContact O-CB 3.29Å; Y63-R66 PolarHBondContact O-N 3.45Å; Y63-R66 VanDerWaalsContact O-N 3.15Å; Y63-K67 HydrophobicContact CE1-CD 4.26Å; Y63-K67 WeakPolarHBondContact O-CB 3.22Å; Y63-K67 PolarHBondContact O-N 2.92Å
64	A	94.8	Very high	95.2	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-40	177	0	0	0	0	0	111.9	Q60 V61 R66 K67 Y68 F81 I84	Q60-A64 WeakPolarHBondContact O-CB 3.4Å; Q60-A64 PolarHBondContact O-N 2.74Å; V61-A64 PolarHBondContact O-N 3.01Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 2.95Å; A64-K67 PolarHBondContact O-N 3.34Å; A64-Y68 HydrophobicContact CB-CD2 4.16Å; A64-Y68 HydrophobicContact CB-CE2 4.26Å; A64-Y68 WeakPolarHBondContact O-CD2 3.5Å; A64-Y68 PolarHBondContact O-N 3.48Å; A64-F81 HydrophobicContact CB-CD2 3.9Å; A64-F81 HydrophobicContact CB-CE2 4.43Å; A64-I84 HydrophobicContact CB-CD1 3.95Å; A64-I84 HydrophobicContact CB-CG2 4.24Å
65	R	95.6	Very high	94.9	Very high	43 Å²	43	75 Å²	75	16%	0.162	40%	0.396	C	S	.	.	H	α-helix	trans	-57.1	-42.8	173.5	-74.8	-177.3	175.5	-74.6	-1.5	111.9	V61 I62 Y63 S69 V70 C74 F81	V61-R65 HydrophobicContact CG1-CG 4.46Å; V61-R65 WeakPolarHBondContact O-CG 3.42Å; V61-R65 PolarHBondContact O-N 3.4Å; I62-R65 PolarHBondContact O-N 3.1Å; Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3Å; R65-S69 CarbonylContact O-C 3.51Å; R65-S69 VanDerWaalsContact O-CA 3.29Å; R65-S69 WeakPolarHBondContact O-CA 3.29Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-V70 WeakPolarHBondContact CB-O 3.37Å; R65-V70 WeakPolarHBondContact CG-O 3.38Å; R65-V70 PolarHBondContact NH1-O 3.23Å; R65-V70 VanDerWaalsContact NH1-O 3.16Å; R65-V70 PolarHBondContact O-N 2.97Å; R65-C74 PolarHBondContact NH1-O 3.37Å; R65-C74 PolarHBondContact NH2-O 3.09Å; R65-F81 HydrophobicContact CB-CE2 4.46Å; R65-F81 HydrophobicContact CG-CE2 3.53Å; R65-F81 HydrophobicContact CG-CZ 3.97Å
66	R	95.6	Very high	94.6	Very high	196 Å²	196	76.4 Å²	76.4	74%	0.74	40%	0.403	S	S	*	.	H	α-helix	trans	-68.2	-45.7	176.3	-66.7	176.5	-178.6	-179	1.1	111.6	I62 Y63 A64 Y68 S69	I62-R66 WeakPolarHBondContact O-CG 3.44Å; I62-R66 PolarHBondContact O-N 3.04Å; I62-R66 VanDerWaalsContact O-N 3.17Å; Y63-R66 WeakPolarHBondContact O-CB 3.29Å; Y63-R66 PolarHBondContact O-N 3.45Å; Y63-R66 VanDerWaalsContact O-N 3.15Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 2.95Å; R66-Y68 PolarHBondContact O-N 3.28Å; R66-S69 PolarHBondContact O-N 3.12Å
67	K	94.8	Very high	94.3	Very high	124 Å²	124	74.2 Å²	74.2	54%	0.539	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-43.6	-178.9	-174.7	-179.5	178.5	-170.5	0	112.4	Y63 A64	Y63-K67 HydrophobicContact CE1-CD 4.26Å; Y63-K67 WeakPolarHBondContact O-CB 3.22Å; Y63-K67 PolarHBondContact O-N 2.92Å; A64-K67 PolarHBondContact O-N 3.34Å
68	Y	94.3	Very high	94.1	Very high	57 Å²	57	76.5 Å²	76.5	22%	0.224	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.1	-177.3	-58.7	-65.2	0	0	0	113.3	A64 R66 V70 P78 E80 F81	A64-Y68 HydrophobicContact CB-CD2 4.16Å; A64-Y68 HydrophobicContact CB-CE2 4.26Å; A64-Y68 WeakPolarHBondContact O-CD2 3.5Å; A64-Y68 PolarHBondContact O-N 3.48Å; R66-Y68 PolarHBondContact O-N 3.28Å; Y68-V70 PolarHBondContact O-N 2.92Å; Y68-P78 HydrophobicContact CD1-CB 4.16Å; Y68-P78 HydrophobicContact CD1-CG 3.89Å; Y68-P78 HydrophobicContact CG-CG 4.18Å; Y68-E80 HydrophobicContact CE1-CB 4.16Å; Y68-E80 HydrophobicContact CE2-CB 3.98Å; Y68-E80 WeakPolarHBondContact OH-CB 3.37Å; Y68-F81 HydrophobicContact CD2-CB 3.6Å; Y68-F81 HydrophobicContact CD2-CD2 4.31Å; Y68-F81 HydrophobicContact CD2-CG 4.4Å; Y68-F81 HydrophobicContact CE2-CB 4.19Å; Y68-F81 HydrophobicContact CG-CB 4.09Å
69	S	94.4	Very high	93.9	Very high	103 Å²	103	77.8 Å²	77.8	72%	0.72	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.1	-179	-58.3	0	0	0	0	114.3	R65 R66 S71	R65-S69 CarbonylContact O-C 3.51Å; R65-S69 VanDerWaalsContact O-CA 3.29Å; R65-S69 WeakPolarHBondContact O-CA 3.29Å; R65-S69 PolarHBondContact O-N 3.35Å; R66-S69 PolarHBondContact O-N 3.12Å; S69-S71 PolarHBondContact O-N 3.01Å
70	V	94.2	Very high	93.6	Very high	12 Å²	12	75.7 Å²	75.7	7%	0.073	41%	0.414	C	S	.	.			trans	-94	92.3	178.2	-174.3	0	0	0	0	109.9	R65 Y68 C74 F81	R65-V70 WeakPolarHBondContact CB-O 3.37Å; R65-V70 WeakPolarHBondContact CG-O 3.38Å; R65-V70 PolarHBondContact NH1-O 3.23Å; R65-V70 VanDerWaalsContact NH1-O 3.16Å; R65-V70 PolarHBondContact O-N 2.97Å; Y68-V70 PolarHBondContact O-N 2.92Å; V70-C74 HydrophobicContact CG1-CB 3.95Å; V70-F81 HydrophobicContact CB-CD1 4.4Å; V70-F81 HydrophobicContact CB-CE1 4.17Å; V70-F81 HydrophobicContact CB-CE2 4.36Å; V70-F81 HydrophobicContact CB-CZ 4.16Å; V70-F81 HydrophobicContact CG1-CD1 4.27Å; V70-F81 HydrophobicContact CG1-CE1 3.73Å; V70-F81 HydrophobicContact CG1-CZ 3.92Å; V70-F81 HydrophobicContact CG2-CD1 4Å; V70-F81 HydrophobicContact CG2-CD2 4.43Å; V70-F81 HydrophobicContact CG2-CE1 4.26Å; V70-F81 HydrophobicContact CG2-CG 4.09Å
71	S	91.1	Very high	93.5	Very high	84 Å²	84	73 Å²	73	59%	0.587	40%	0.401	S	S	*	.			trans	-70.8	142	176.9	15.6	0	0	0	0	112	S69 C74	S69-S71 PolarHBondContact O-N 3.01Å; S71-C74 VanDerWaalsContact O-CB 3.23Å; S71-C74 WeakPolarHBondContact O-CB 3.44Å; S71-C74 PolarHBondContact O-N 3.18Å
72	P	91.3	Very high	93.5	Very high	102 Å²	102	75.1 Å²	75.1	66%	0.662	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	145.5	165.7	-22	33.5	0	0	0	111
73	P	92.4	Very high	93.3	Very high	132 Å²	132	73.7 Å²	73.7	86%	0.857	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.6	6.8	5.6	36	-36.8	0	0	0	114.2	I75	P73-I75 PolarHBondContact O-N 2.82Å
74	C	90.9	Very high	93.3	Very high	60 Å²	60	68.2 Å²	68.2	41%	0.405	38%	0.38	S	S	.	.			trans	-63.8	134.6	-175	-164.5	0	0	0	0	111.4	R65 V70 S71 S76	R65-C74 PolarHBondContact NH1-O 3.37Å; R65-C74 PolarHBondContact NH2-O 3.09Å; V70-C74 HydrophobicContact CG1-CB 3.95Å; S71-C74 VanDerWaalsContact O-CB 3.23Å; S71-C74 WeakPolarHBondContact O-CB 3.44Å; S71-C74 PolarHBondContact O-N 3.18Å; C74-S76 PolarHBondContact SG-O 3.19Å
75	I	92.3	Very high	93.3	Very high	96 Å²	96	70.3 Å²	70.3	49%	0.492	39%	0.389	S	S	.	.			trans	-118.4	1.2	176.6	61.8	167.1	0	0	0	112.5	P73 F85	P73-I75 PolarHBondContact O-N 2.82Å; I75-F85 HydrophobicContact CB-CD1 4.4Å; I75-F85 HydrophobicContact CB-CE1 3.82Å; I75-F85 HydrophobicContact CB-CZ 4.03Å; I75-F85 HydrophobicContact CG2-CE1 3.86Å; I75-F85 HydrophobicContact CG2-CE2 4.27Å; I75-F85 HydrophobicContact CG2-CZ 3.55Å
76	S	91.1	Very high	93.2	Very high	73 Å²	73	75.2 Å²	75.2	51%	0.51	41%	0.408	S	S	.	.			trans	-109.4	146.3	178.2	-60.8	0	0	0	0	110	C74 E82	C74-S76 PolarHBondContact SG-O 3.19Å; S76-E82 WeakPolarHBondContact CA-OE1 3.47Å
77	G	91.3	Very high	93.2	Very high	33 Å²	33	65.9 Å²	65.9	34%	0.34	37%	0.373	S	S	.	.			trans	-177.6	-157.5	-175.6	0	0	0	0	0	112	E82	G77-E82 PolarHBondContact N-OE1 3.16Å
78	P	93.4	Very high	93.3	Very high	48 Å²	48	61.6 Å²	61.6	31%	0.312	36%	0.355	S	S	.	.	S	Bend	trans	-55.3	147.3	171.8	-24.4	35.3	0	0	0	111	Y68 E80 F81 E82	Y68-P78 HydrophobicContact CD1-CB 4.16Å; Y68-P78 HydrophobicContact CD1-CG 3.89Å; Y68-P78 HydrophobicContact CG-CG 4.18Å; P78-E80 WeakPolarHBondContact CB-OE2 3.36Å; P78-E80 PolarHBondContact O-N 2.99Å; P78-F81 WeakPolarHBondContact O-CA 3.49Å; P78-F81 WeakPolarHBondContact O-CB 3.42Å; P78-F81 PolarHBondContact O-N 3.49Å; P78-E82 PolarHBondContact O-N 3.46Å; P78-E82 VanDerWaalsContact O-N 3.13Å
79	P	92.8	Very high	93.4	Very high	73 Å²	73	60.3 Å²	60.3	47%	0.474	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-26.5	-175.3	25.2	-34.4	0	0	0	112.7	R83	P79-R83 WeakPolarHBondContact O-CB 3.37Å; P79-R83 VanDerWaalsContact O-CG 3.29Å; P79-R83 WeakPolarHBondContact O-CG 3.41Å; P79-R83 PolarHBondContact O-N 2.94Å; P79-R83 PolarHBondContact O-NH1 2.91Å
80	E	91.1	Very high	93.4	Very high	67 Å²	67	57.2 Å²	57.2	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.9	171.9	-62.5	59.8	-130.8	0	0	112.2	Y68 P78 R83 I84	Y68-E80 HydrophobicContact CE1-CB 4.16Å; Y68-E80 HydrophobicContact CE2-CB 3.98Å; Y68-E80 WeakPolarHBondContact OH-CB 3.37Å; P78-E80 WeakPolarHBondContact CB-OE2 3.36Å; P78-E80 PolarHBondContact O-N 2.99Å; E80-R83 IonicContact OE1-CZ 3.94Å; E80-R83 IonicContact OE1-NH2 3.01Å; E80-R83 PolarHBondContact OE1-NH2 3.37Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 3.3Å
81	F	94.4	Very high	93.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-47.5	177.3	170.6	-103.5	0	0	0	110.4	A64 R65 Y68 V70 P78 R83 I84 F85	A64-F81 HydrophobicContact CB-CD2 3.9Å; A64-F81 HydrophobicContact CB-CE2 4.43Å; R65-F81 HydrophobicContact CB-CE2 4.46Å; R65-F81 HydrophobicContact CG-CE2 3.53Å; R65-F81 HydrophobicContact CG-CZ 3.97Å; Y68-F81 HydrophobicContact CD2-CB 3.6Å; Y68-F81 HydrophobicContact CD2-CD2 4.31Å; Y68-F81 HydrophobicContact CD2-CG 4.4Å; Y68-F81 HydrophobicContact CE2-CB 4.19Å; Y68-F81 HydrophobicContact CG-CB 4.09Å; V70-F81 HydrophobicContact CB-CD1 4.4Å; V70-F81 HydrophobicContact CB-CE1 4.17Å; V70-F81 HydrophobicContact CB-CE2 4.36Å; V70-F81 HydrophobicContact CB-CZ 4.16Å; V70-F81 HydrophobicContact CG1-CD1 4.27Å; V70-F81 HydrophobicContact CG1-CE1 3.73Å; V70-F81 HydrophobicContact CG1-CZ 3.92Å; V70-F81 HydrophobicContact CG2-CD1 4Å; V70-F81 HydrophobicContact CG2-CD2 4.43Å; V70-F81 HydrophobicContact CG2-CE1 4.26Å; V70-F81 HydrophobicContact CG2-CG 4.09Å; P78-F81 WeakPolarHBondContact O-CA 3.49Å; P78-F81 WeakPolarHBondContact O-CB 3.42Å; P78-F81 PolarHBondContact O-N 3.49Å; F81-R83 VanDerWaalsContact C-N 3.26Å; F81-R83 PolarHBondContact O-N 3.23Å; F81-I84 PolarHBondContact O-N 2.92Å; F81-F85 HydrophobicContact CE1-CB 4.32Å; F81-F85 HydrophobicContact CZ-CB 4.18Å; F81-F85 HydrophobicContact CZ-CD2 4.11Å; F81-F85 HydrophobicContact CZ-CG 4.29Å; F81-F85 WeakPolarHBondContact O-CB 3.44Å; F81-F85 PolarHBondContact O-N 3.45Å
82	E	94.4	Very high	93.8	Very high	55 Å²	55	54.6 Å²	54.6	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-36.4	-178.6	-63.9	-164.2	175.2	0	0	111.9	S76 G77 P78 R86	S76-E82 WeakPolarHBondContact CA-OE1 3.47Å; G77-E82 PolarHBondContact N-OE1 3.16Å; P78-E82 PolarHBondContact O-N 3.46Å; P78-E82 VanDerWaalsContact O-N 3.13Å; E82-R86 VanDerWaalsContact O-CB 3.28Å; E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 VanDerWaalsContact O-CG 3.24Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 2.78Å
83	R	93.6	Very high	94	Very high	48 Å²	48	56.1 Å²	56.1	18%	0.181	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-52.9	173.9	-78.3	-172.5	-58.8	-93.5	7.7	111.7	P79 E80 F81 F85 R86 A87 Y132	P79-R83 WeakPolarHBondContact O-CB 3.37Å; P79-R83 VanDerWaalsContact O-CG 3.29Å; P79-R83 WeakPolarHBondContact O-CG 3.41Å; P79-R83 PolarHBondContact O-N 2.94Å; P79-R83 PolarHBondContact O-NH1 2.91Å; E80-R83 IonicContact OE1-CZ 3.94Å; E80-R83 IonicContact OE1-NH2 3.01Å; E80-R83 PolarHBondContact OE1-NH2 3.37Å; F81-R83 VanDerWaalsContact C-N 3.26Å; F81-R83 PolarHBondContact O-N 3.23Å; R83-F85 VanDerWaalsContact C-N 3.33Å; R83-F85 PolarHBondContact O-N 3.44Å; R83-R86 PolarHBondContact O-N 2.89Å; R83-A87 WeakPolarHBondContact O-CB 3.4Å; R83-A87 PolarHBondContact O-N 2.89Å; R83-Y132 HydrophobicContact CB-CD1 4.11Å; R83-Y132 HydrophobicContact CB-CE1 4.24Å; R83-Y132 WeakPolarHBondContact CB-O 3.46Å; R83-Y132 WeakPolarHBondContact CD-O 3.29Å; R83-Y132 HydrophobicContact CG-CD1 4.47Å; R83-Y132 HydrophobicContact CG-CE1 4.31Å; R83-Y132 WeakPolarHBondContact O-CD1 3.44Å; R83-Y132 WeakPolarHBondContact O-CE1 3.43Å
84	I	94.8	Very high	94.2	Very high	25 Å²	25	55 Å²	55	13%	0.128	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-43.4	179.8	-64.5	168.7	0	0	0	110.9	Q60 V61 A64 E80 F81 A87 Q88 F129 A133	Q60-I84 HydrophobicContact CB-CG2 4.4Å; V61-I84 HydrophobicContact CG2-CG2 4.03Å; A64-I84 HydrophobicContact CB-CD1 3.95Å; A64-I84 HydrophobicContact CB-CG2 4.24Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 3.3Å; F81-I84 PolarHBondContact O-N 2.92Å; I84-A87 PolarHBondContact O-N 3.22Å; I84-Q88 PolarHBondContact O-N 2.92Å; I84-F129 HydrophobicContact CG2-CZ 3.94Å; I84-A133 HydrophobicContact CG1-CB 3.87Å
85	F	95.4	Very high	94.5	Very high	45 Å²	45	54.1 Å²	54.1	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-45.3	178.6	-173.6	-98.6	0	0	0	111.9	V61 I75 F81 R83 Q88 A89	V61-F85 HydrophobicContact CG1-CD2 3.77Å; V61-F85 HydrophobicContact CG1-CE2 4.37Å; I75-F85 HydrophobicContact CB-CD1 4.4Å; I75-F85 HydrophobicContact CB-CE1 3.82Å; I75-F85 HydrophobicContact CB-CZ 4.03Å; I75-F85 HydrophobicContact CG2-CE1 3.86Å; I75-F85 HydrophobicContact CG2-CE2 4.27Å; I75-F85 HydrophobicContact CG2-CZ 3.55Å; F81-F85 HydrophobicContact CE1-CB 4.32Å; F81-F85 HydrophobicContact CZ-CB 4.18Å; F81-F85 HydrophobicContact CZ-CD2 4.11Å; F81-F85 HydrophobicContact CZ-CG 4.29Å; F81-F85 WeakPolarHBondContact O-CB 3.44Å; F81-F85 PolarHBondContact O-N 3.45Å; R83-F85 VanDerWaalsContact C-N 3.33Å; R83-F85 PolarHBondContact O-N 3.44Å; F85-Q88 PolarHBondContact O-N 3.43Å; F85-A89 WeakPolarHBondContact O-CB 3.48Å; F85-A89 PolarHBondContact O-N 3.05Å
86	R	94.6	Very high	94.8	Very high	146 Å²	146	53.1 Å²	53.1	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-67.7	-38.3	177	-73.6	-179	-170.3	-99	3.7	112.7	E82 R83 A89 N90 Y132	E82-R86 VanDerWaalsContact O-CB 3.28Å; E82-R86 WeakPolarHBondContact O-CB 3.45Å; E82-R86 VanDerWaalsContact O-CG 3.24Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 2.78Å; R83-R86 PolarHBondContact O-N 2.89Å; R86-A89 PolarHBondContact O-N 3.01Å; R86-N90 WeakPolarHBondContact O-CB 3.36Å; R86-N90 PolarHBondContact O-N 3.47Å; R86-Y132 HydrophobicContact CB-CE1 3.99Å
87	A	94.9	Very high	95.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.7	0	0	0	0	0	111.1	R83 I84 N90 C91 F129 Y132	R83-A87 WeakPolarHBondContact O-CB 3.4Å; R83-A87 PolarHBondContact O-N 2.89Å; I84-A87 PolarHBondContact O-N 3.22Å; A87-N90 PolarHBondContact O-N 3.48Å; A87-C91 PolarHBondContact O-N 3.14Å; A87-C91 PolarHBondContact O-SG 2.99Å; A87-F129 HydrophobicContact CB-CD2 3.55Å; A87-F129 HydrophobicContact CB-CE2 3.81Å; A87-F129 HydrophobicContact CB-CG 4.39Å; A87-Y132 HydrophobicContact CB-CD1 3.76Å; A87-Y132 HydrophobicContact CB-CG 4.12Å
88	Q	96.4	Very high	95.4	Very high	35 Å²	35	53.3 Å²	53.3	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-42.5	177	-179.4	-87.2	-37.9	0	0	112.2	F57 V61 I84 F85 C91 S92 F129	F57-Q88 HydrophobicContact CB-CB 4.25Å; F57-Q88 HydrophobicContact CB-CG 3.93Å; V61-Q88 HydrophobicContact CG2-CB 3.48Å; V61-Q88 VanDerWaalsContact CG2-CB 3.48Å; V61-Q88 HydrophobicContact CG2-CG 3.77Å; I84-Q88 PolarHBondContact O-N 2.92Å; F85-Q88 PolarHBondContact O-N 3.43Å; Q88-C91 PolarHBondContact O-N 2.9Å; Q88-S92 PolarHBondContact NE2-OG 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.35Å; Q88-S92 PolarHBondContact O-N 2.67Å; Q88-S92 PolarHBondContact O-OG 3.47Å; Q88-F129 HydrophobicContact CB-CE2 4.07Å
89	A	96	Very high	95.5	Very high	29 Å²	29	52.8 Å²	52.8	24%	0.24	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-46.8	176.9	0	0	0	0	0	111.2	F85 R86 C91 S92 E93	F85-A89 WeakPolarHBondContact O-CB 3.48Å; F85-A89 PolarHBondContact O-N 3.05Å; R86-A89 PolarHBondContact O-N 3.01Å; A89-C91 PolarHBondContact O-N 3.33Å; A89-S92 WeakPolarHBondContact O-CB 3.25Å; A89-S92 PolarHBondContact O-N 3.39Å; A89-S92 VanDerWaalsContact O-N 3.1Å; A89-E93 WeakPolarHBondContact O-CG 3.4Å; A89-E93 PolarHBondContact O-N 2.93Å
90	N	96	Very high	95.8	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-50.9	177.2	-171.6	-88.2	0	0	0	111.6	R86 A87 S92 E93 Y94 R125 Y128	R86-N90 WeakPolarHBondContact O-CB 3.36Å; R86-N90 PolarHBondContact O-N 3.47Å; A87-N90 PolarHBondContact O-N 3.48Å; N90-S92 PolarHBondContact O-N 3.26Å; N90-E93 PolarHBondContact O-N 2.93Å; N90-E93 VanDerWaalsContact O-N 3.16Å; N90-Y94 VanDerWaalsContact O-CD2 3.29Å; N90-Y94 WeakPolarHBondContact O-CD2 3.5Å; N90-Y94 PolarHBondContact O-N 3.31Å; N90-Y94 WeakPolarHBondContact OD1-CD2 3.38Å; N90-R125 PolarHBondContact OD1-NH1 2.88Å; N90-Y128 HydrophobicContact CB-CE1 4.3Å
91	C	95.6	Very high	96.1	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-38	177.3	-66	0	0	0	0	111.6	F57 A87 Q88 A89 Y94 F95	F57-C91 HydrophobicContact CD2-CB 3.84Å; F57-C91 HydrophobicContact CE2-CB 3.88Å; A87-C91 PolarHBondContact O-N 3.14Å; A87-C91 PolarHBondContact O-SG 2.99Å; Q88-C91 PolarHBondContact O-N 2.9Å; A89-C91 PolarHBondContact O-N 3.33Å; C91-Y94 PolarHBondContact O-N 2.82Å; C91-F95 WeakPolarHBondContact O-CB 3.46Å; C91-F95 PolarHBondContact O-N 2.9Å
92	S	96.4	Very high	96.2	Very high	41 Å²	41	55.7 Å²	55.7	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-35.4	178.5	-54.8	0	0	0	0	113.8	Q54 Q88 A89 N90 F95 P96	Q54-S92 VanDerWaalsContact NE2-CA 3.29Å; Q54-S92 PolarHBondContact NE2-OG 3.43Å; Q54-S92 VanDerWaalsContact NE2-OG 3.13Å; Q88-S92 PolarHBondContact NE2-OG 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.35Å; Q88-S92 PolarHBondContact O-N 2.67Å; Q88-S92 PolarHBondContact O-OG 3.47Å; A89-S92 WeakPolarHBondContact O-CB 3.25Å; A89-S92 PolarHBondContact O-N 3.39Å; A89-S92 VanDerWaalsContact O-N 3.1Å; N90-S92 PolarHBondContact O-N 3.26Å; S92-F95 PolarHBondContact O-N 3.19Å; S92-P96 VanDerWaalsContact O-CD 3.23Å; S92-P96 WeakPolarHBondContact O-CD 3.29Å
93	E	97.3	Very high	96.2	Very high	134 Å²	134	57.9 Å²	57.9	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-37.8	175.4	-72.4	169.6	-175	0	0	111.9	A89 N90	A89-E93 WeakPolarHBondContact O-CG 3.4Å; A89-E93 PolarHBondContact O-N 2.93Å; N90-E93 PolarHBondContact O-N 2.93Å; N90-E93 VanDerWaalsContact O-N 3.16Å
94	Y	96.3	Very high	96.4	Very high	107 Å²	107	59.1 Å²	59.1	42%	0.42	30%	0.295	S	S	.	.	H	α-helix	trans	-82.9	-18.4	178.9	-77.1	-82.3	0	0	0	114.2	N90 C91 I97 F98	N90-Y94 VanDerWaalsContact O-CD2 3.29Å; N90-Y94 WeakPolarHBondContact O-CD2 3.5Å; N90-Y94 PolarHBondContact O-N 3.31Å; N90-Y94 WeakPolarHBondContact OD1-CD2 3.38Å; C91-Y94 PolarHBondContact O-N 2.82Å; Y94-I97 HydrophobicContact CD1-CD1 4.29Å; Y94-I97 WeakPolarHBondContact O-CB 3.29Å; Y94-I97 PolarHBondContact O-N 3.39Å; Y94-F98 PolarHBondContact O-N 3.49Å
95	F	97.1	Very high	96.4	Very high	42 Å²	42	59.7 Å²	59.7	18%	0.184	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-45	-174.7	-174.3	-106	0	0	0	113.9	V51 Q54 C91 S92 I97 F98 I99	V51-F95 HydrophobicContact CG2-CE1 4.37Å; V51-F95 HydrophobicContact CG2-CZ 3.86Å; Q54-F95 HydrophobicContact CG-CB 4.4Å; Q54-F95 HydrophobicContact CG-CD1 4.37Å; Q54-F95 HydrophobicContact CG-CD2 3.63Å; Q54-F95 HydrophobicContact CG-CE2 3.91Å; Q54-F95 HydrophobicContact CG-CG 3.88Å; Q54-F95 HydrophobicContact CG-CZ 4.38Å; C91-F95 WeakPolarHBondContact O-CB 3.46Å; C91-F95 PolarHBondContact O-N 2.9Å; S92-F95 PolarHBondContact O-N 3.19Å; F95-I97 VanDerWaalsContact C-N 3.3Å; F95-I97 PolarHBondContact O-N 3.42Å; F95-F98 HydrophobicContact CD2-CD1 4.13Å; F95-F98 HydrophobicContact CE2-CD1 4.17Å; F95-F98 HydrophobicContact CE2-CE1 4.45Å; F95-F98 WeakPolarHBondContact O-CB 3.5Å; F95-F98 PolarHBondContact O-N 3.03Å; F95-I99 HydrophobicContact CD1-CG1 4.3Å; F95-I99 HydrophobicContact CE1-CD1 4.44Å; F95-I99 HydrophobicContact CE1-CG1 3.89Å; F95-I99 HydrophobicContact CE2-CD1 4.08Å; F95-I99 HydrophobicContact CE2-CG1 4.13Å; F95-I99 HydrophobicContact CZ-CD1 3.86Å; F95-I99 HydrophobicContact CZ-CG1 3.8Å; F95-I99 WeakPolarHBondContact O-CG1 3.46Å; F95-I99 PolarHBondContact O-N 3.49Å
96	P	97.4	Very high	96.3	Very high	76 Å²	76	58 Å²	58	49%	0.494	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-36.1	175.7	-22.7	33.8	0	0	0	113.2	S92 T100	S92-P96 VanDerWaalsContact O-CD 3.23Å; S92-P96 WeakPolarHBondContact O-CD 3.29Å; P96-T100 WeakPolarHBondContact O-CB 3.42Å; P96-T100 PolarHBondContact O-N 3.05Å; P96-T100 PolarHBondContact O-OG1 3.43Å
97	I	97.6	Very high	96.2	Very high	93 Å²	93	55.7 Å²	55.7	48%	0.477	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-46.2	176.8	-58.5	171.4	0	0	0	109.2	Y94 F95 T100 I101	Y94-I97 HydrophobicContact CD1-CD1 4.29Å; Y94-I97 WeakPolarHBondContact O-CB 3.29Å; Y94-I97 PolarHBondContact O-N 3.39Å; F95-I97 VanDerWaalsContact C-N 3.3Å; F95-I97 PolarHBondContact O-N 3.42Å; I97-T100 PolarHBondContact O-N 3.46Å; I97-I101 HydrophobicContact CG2-CD1 3.76Å; I97-I101 WeakPolarHBondContact O-CG1 3.24Å; I97-I101 PolarHBondContact O-N 2.89Å
98	F	97.3	Very high	96.1	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-52	176.3	163	-113.7	0	0	0	112.2	V46 Y94 F95 T100 I101 L102 Y121 L122	V46-F98 HydrophobicContact CG1-CZ 3.97Å; Y94-F98 PolarHBondContact O-N 3.49Å; F95-F98 HydrophobicContact CD2-CD1 4.13Å; F95-F98 HydrophobicContact CE2-CD1 4.17Å; F95-F98 HydrophobicContact CE2-CE1 4.45Å; F95-F98 WeakPolarHBondContact O-CB 3.5Å; F95-F98 PolarHBondContact O-N 3.03Å; F98-T100 VanDerWaalsContact C-N 3.32Å; F98-T100 PolarHBondContact O-N 3.29Å; F98-I101 PolarHBondContact O-N 3.33Å; F98-L102 HydrophobicContact CE1-CD2 4.34Å; F98-L102 HydrophobicContact CE2-CB 4.27Å; F98-L102 HydrophobicContact CE2-CD2 4.39Å; F98-L102 HydrophobicContact CZ-CD2 3.89Å; F98-L102 VanDerWaalsContact O-CB 3.29Å; F98-L102 WeakPolarHBondContact O-CB 3.09Å; F98-L102 PolarHBondContact O-N 3.03Å; F98-Y121 HydrophobicContact CB-CD1 4.37Å; F98-Y121 HydrophobicContact CB-CE1 3.71Å; F98-Y121 HydrophobicContact CB-CE2 4.38Å; F98-Y121 HydrophobicContact CD1-CD1 4.07Å; F98-Y121 AromaticContact CD1-CE1 3.78Å; F98-Y121 HydrophobicContact CD1-CE1 3.78Å; F98-Y121 AromaticContact CD2-CD1 3.32Å; F98-Y121 HydrophobicContact CD2-CD1 3.32Å; F98-Y121 HydrophobicContact CD2-CD2 4.26Å; F98-Y121 AromaticContact CD2-CE1 3.56Å; F98-Y121 HydrophobicContact CD2-CE1 3.56Å; F98-Y121 HydrophobicContact CD2-CE2 4.42Å; F98-Y121 AromaticContact CD2-CG 3.71Å; F98-Y121 HydrophobicContact CD2-CG 3.71Å; F98-Y121 HydrophobicContact CE1-CD1 4.17Å; F98-Y121 HydrophobicContact CE1-CE1 4.28Å; F98-Y121 AromaticContact CE2-CD1 3.45Å; F98-Y121 HydrophobicContact CE2-CD1 3.45Å; F98-Y121 VanDerWaalsContact CE2-CD1 3.45Å; F98-Y121 HydrophobicContact CE2-CE1 4.1Å; F98-Y121 AromaticContact CE2-CG 3.88Å; F98-Y121 HydrophobicContact CE2-CG 3.88Å; F98-Y121 AromaticContact CG-CD1 3.64Å; F98-Y121 HydrophobicContact CG-CD1 3.64Å; F98-Y121 AromaticContact CG-CE1 3.37Å; F98-Y121 HydrophobicContact CG-CE1 3.37Å; F98-Y121 HydrophobicContact CG-CG 4.39Å; F98-Y121 AromaticContact CG-CZ 3.88Å; F98-Y121 AromaticContact CZ-CD1 3.87Å; F98-Y121 HydrophobicContact CZ-CD1 3.87Å; F98-Y121 HydrophobicContact CZ-CE1 4.41Å; F98-L122 HydrophobicContact CE1-CD2 3.9Å; F98-L122 HydrophobicContact CZ-CD2 4.09Å; F98-L122 HydrophobicContact CZ-CG 4.28Å
99	I	96.9	Very high	95.8	Very high	37 Å²	37	70 Å²	70	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-44.9	178.9	-66.4	-56.6	0	0	0	110.7	T47 F95 I101 L102 W103	T47-I99 HydrophobicContact CG2-CD1 3.87Å; F95-I99 HydrophobicContact CD1-CG1 4.3Å; F95-I99 HydrophobicContact CE1-CD1 4.44Å; F95-I99 HydrophobicContact CE1-CG1 3.89Å; F95-I99 HydrophobicContact CE2-CD1 4.08Å; F95-I99 HydrophobicContact CE2-CG1 4.13Å; F95-I99 HydrophobicContact CZ-CD1 3.86Å; F95-I99 HydrophobicContact CZ-CG1 3.8Å; F95-I99 WeakPolarHBondContact O-CG1 3.46Å; F95-I99 PolarHBondContact O-N 3.49Å; I99-I101 VanDerWaalsContact C-N 3.34Å; I99-I101 PolarHBondContact O-N 3.44Å; I99-L102 PolarHBondContact O-N 3.45Å; I99-W103 VanDerWaalsContact O-CD1 3.29Å; I99-W103 PolarHBondContact O-N 3.02Å
100	T	97.7	Very high	95.5	Very high	88 Å²	88	71 Å²	71	54%	0.54	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-45.4	179.4	-55.7	0	0	0	0	111.4	P96 I97 F98 T104	P96-T100 WeakPolarHBondContact O-CB 3.42Å; P96-T100 PolarHBondContact O-N 3.05Å; P96-T100 PolarHBondContact O-OG1 3.43Å; I97-T100 PolarHBondContact O-N 3.46Å; F98-T100 VanDerWaalsContact C-N 3.32Å; F98-T100 PolarHBondContact O-N 3.29Å; T100-T104 VanDerWaalsContact O-CB 3.24Å; T100-T104 WeakPolarHBondContact O-CB 3.3Å; T100-T104 PolarHBondContact O-N 2.79Å; T100-T104 PolarHBondContact O-OG1 2.87Å
101	I	97.1	Very high	95.3	Very high	108 Å²	108	70.5 Å²	70.5	55%	0.554	36%	0.363	S	S	*	.	H	α-helix	trans	-70.5	-41.5	179.5	-66.1	170.1	0	0	0	111.5	I97 F98 I99 W103 T104 S105	I97-I101 HydrophobicContact CG2-CD1 3.76Å; I97-I101 WeakPolarHBondContact O-CG1 3.24Å; I97-I101 PolarHBondContact O-N 2.89Å; F98-I101 PolarHBondContact O-N 3.33Å; I99-I101 VanDerWaalsContact C-N 3.34Å; I99-I101 PolarHBondContact O-N 3.44Å; I101-W103 PolarHBondContact O-N 2.99Å; I101-T104 PolarHBondContact O-N 3Å; I101-S105 VanDerWaalsContact O-CB 3.25Å; I101-S105 WeakPolarHBondContact O-CB 3.21Å; I101-S105 PolarHBondContact O-N 2.91Å; I101-S105 PolarHBondContact O-OG 2.85Å
102	L	96.5	Very high	95	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-57.6	-49.7	178.4	177.3	67.5	0	0	0	110.8	L43 V46 F98 I99 S105 G106 S114	L43-L102 HydrophobicContact CD2-CD1 3.87Å; L43-L102 HydrophobicContact CD2-CG 4.12Å; V46-L102 HydrophobicContact CB-CD2 4.19Å; V46-L102 HydrophobicContact CG1-CD1 4.27Å; V46-L102 HydrophobicContact CG1-CD2 3.75Å; F98-L102 HydrophobicContact CE1-CD2 4.34Å; F98-L102 HydrophobicContact CE2-CB 4.27Å; F98-L102 HydrophobicContact CE2-CD2 4.39Å; F98-L102 HydrophobicContact CZ-CD2 3.89Å; F98-L102 VanDerWaalsContact O-CB 3.29Å; F98-L102 WeakPolarHBondContact O-CB 3.09Å; F98-L102 PolarHBondContact O-N 3.03Å; I99-L102 PolarHBondContact O-N 3.45Å; L102-S105 PolarHBondContact O-OG 2.85Å; L102-G106 PolarHBondContact O-N 3.06Å; L102-S114 VanDerWaalsContact CD1-O 3.27Å; L102-S114 WeakPolarHBondContact CD1-O 3.25Å
103	W	96.3	Very high	94.9	Very high	102 Å²	102	75.1 Å²	75.1	39%	0.386	40%	0.395	S	S	.	.	H	α-helix	trans	-72	-42.3	-179	-80.1	85	0	0	0	112.4	T47 I99 I101 G106 V107	T47-W103 PolarHBondContact OG1-NE1 3.03Å; I99-W103 VanDerWaalsContact O-CD1 3.29Å; I99-W103 PolarHBondContact O-N 3.02Å; I101-W103 PolarHBondContact O-N 2.99Å; W103-G106 PolarHBondContact O-N 2.9Å; W103-V107 WeakPolarHBondContact O-CB 3.07Å; W103-V107 VanDerWaalsContact O-CG2 3.29Å; W103-V107 WeakPolarHBondContact O-CG2 3.5Å; W103-V107 PolarHBondContact O-N 3.34Å
104	T	96.4	Very high	94.8	Very high	73 Å²	73	69.1 Å²	69.1	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-47.7	177.6	-54.7	0	0	0	0	110.7	T100 I101 G106 F108	T100-T104 VanDerWaalsContact O-CB 3.24Å; T100-T104 WeakPolarHBondContact O-CB 3.3Å; T100-T104 PolarHBondContact O-N 2.79Å; T100-T104 PolarHBondContact O-OG1 2.87Å; I101-T104 PolarHBondContact O-N 3Å; T104-G106 VanDerWaalsContact C-N 3.34Å; T104-G106 PolarHBondContact O-N 2.83Å; T104-F108 HydrophobicContact CG2-CD2 3.69Å; T104-F108 HydrophobicContact CG2-CE2 4.1Å; T104-F108 WeakPolarHBondContact O-CB 3.34Å; T104-F108 WeakPolarHBondContact O-CD2 3.15Å; T104-F108 PolarHBondContact O-N 3.31Å
105	S	94.8	Very high	94.7	Very high	37 Å²	37	64.7 Å²	64.7	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-36.4	177.2	62.9	0	0	0	0	112.4	I101 L102 F109 S110 S114	I101-S105 VanDerWaalsContact O-CB 3.25Å; I101-S105 WeakPolarHBondContact O-CB 3.21Å; I101-S105 PolarHBondContact O-N 2.91Å; I101-S105 PolarHBondContact O-OG 2.85Å; L102-S105 PolarHBondContact O-OG 2.85Å; S105-F109 WeakPolarHBondContact O-CA 3.43Å; S105-F109 VanDerWaalsContact O-CB 3.25Å; S105-F109 WeakPolarHBondContact O-CB 3.32Å; S105-F109 PolarHBondContact O-N 3.21Å; S105-S110 PolarHBondContact O-N 2.94Å; S105-S114 WeakPolarHBondContact CB-OG 3.36Å; S105-S114 PolarHBondContact O-OG 3.31Å; S105-S114 WeakPolarHBondContact OG-CB 3.34Å; S105-S114 PolarHBondContact OG-OG 3.47Å
106	G	94.1	Very high	94.6	Very high	10 Å²	10	67.3 Å²	67.3	10%	0.103	37%	0.368	C	S	.	.	H	α-helix	trans	-67.9	-38.2	179.5	0	0	0	0	0	113.3	L102 W103 T104 S114	L102-G106 PolarHBondContact O-N 3.06Å; W103-G106 PolarHBondContact O-N 2.9Å; T104-G106 VanDerWaalsContact C-N 3.34Å; T104-G106 PolarHBondContact O-N 2.83Å; G106-S114 WeakPolarHBondContact CA-OG 3.41Å; G106-S114 PolarHBondContact N-OG 3.49Å; G106-S114 VanDerWaalsContact N-OG 3.14Å
107	V	92.1	Very high	94.6	Very high	97 Å²	97	67 Å²	67	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-77.6	-41.1	178.1	173.1	0	0	0	0	112.1	W103	W103-V107 WeakPolarHBondContact O-CB 3.07Å; W103-V107 VanDerWaalsContact O-CG2 3.29Å; W103-V107 WeakPolarHBondContact O-CG2 3.5Å; W103-V107 PolarHBondContact O-N 3.34Å
108	F	92.1	Very high	94.6	Very high	173 Å²	173	62.7 Å²	62.7	76%	0.759	35%	0.345	S	S	*	.	H	α-helix	trans	-100.3	-14.9	-170.2	-64.7	-70.3	0	0	0	115.1	T104	T104-F108 HydrophobicContact CG2-CD2 3.69Å; T104-F108 HydrophobicContact CG2-CE2 4.1Å; T104-F108 WeakPolarHBondContact O-CB 3.34Å; T104-F108 WeakPolarHBondContact O-CD2 3.15Å; T104-F108 PolarHBondContact O-N 3.31Å
109	F	90.4	Very high	94.6	Very high	162 Å²	162	65.8 Å²	65.8	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-77.5	-176.2	-174.9	-101.9	0	0	0	113.1	S105 L113	S105-F109 WeakPolarHBondContact O-CA 3.43Å; S105-F109 VanDerWaalsContact O-CB 3.25Å; S105-F109 WeakPolarHBondContact O-CB 3.32Å; S105-F109 PolarHBondContact O-N 3.21Å; F109-L113 HydrophobicContact CD1-CD2 4.41Å; F109-L113 HydrophobicContact CE1-CD2 3.69Å
110	S	90	Very high	94.6	Very high	51 Å²	51	69.2 Å²	69.2	36%	0.357	38%	0.381	S	S	.	.			trans	-159.2	116	-178.7	177.1	0	0	0	0	110	S105 G112 L113 S114	S105-S110 PolarHBondContact O-N 2.94Å; S110-G112 VanDerWaalsContact C-N 3.34Å; S110-G112 PolarHBondContact O-N 3.27Å; S110-L113 PolarHBondContact O-N 3.33Å; S110-S114 VanDerWaalsContact O-CB 3.3Å; S110-S114 WeakPolarHBondContact O-CB 3.23Å; S110-S114 PolarHBondContact O-N 3.02Å; S110-S114 PolarHBondContact O-OG 2.95Å; S110-S114 VanDerWaalsContact O-OG 3.07Å
111	Q	91.1	Very high	94.6	Very high	28 Å²	28	68.2 Å²	68.2	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-41.9	-179.1	-167.4	-146	-2.7	0	0	112.8	E39 L43 S115	E39-Q111 WeakPolarHBondContact O-CG 3.44Å; E39-Q111 PolarHBondContact O-NE2 3.27Å; E39-Q111 PolarHBondContact O-OE1 3.46Å; E39-Q111 PolarHBondContact OE2-OE1 2.86Å; L43-Q111 HydrophobicContact CD1-CG 3.85Å; L43-Q111 HydrophobicContact CD2-CG 4.24Å; L43-Q111 HydrophobicContact CG-CG 3.67Å; Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.42Å; Q111-S115 PolarHBondContact O-OG 2.96Å
112	G	90.9	Very high	94.6	Very high	50 Å²	50	63.7 Å²	63.7	52%	0.515	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-47.2	179.5	0	0	0	0	0	112.7	S110 S115 L116	S110-G112 VanDerWaalsContact C-N 3.34Å; S110-G112 PolarHBondContact O-N 3.27Å; G112-S115 PolarHBondContact O-N 2.74Å; G112-L116 PolarHBondContact O-N 3.31Å
113	L	93.3	Very high	94.6	Very high	88 Å²	88	71 Å²	71	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-42.4	178.8	-166.4	70.1	0	0	0	111.4	F109 S110 S115 L116 C117	F109-L113 HydrophobicContact CD1-CD2 4.41Å; F109-L113 HydrophobicContact CE1-CD2 3.69Å; S110-L113 PolarHBondContact O-N 3.33Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 3.21Å; L113-C117 WeakPolarHBondContact O-CB 3.38Å; L113-C117 PolarHBondContact O-N 3.24Å; L113-C117 PolarHBondContact O-SG 2.82Å; L113-C117 VanDerWaalsContact O-SG 3.39Å
114	S	94.9	Very high	94.6	Very high	8 Å²	8	67.9 Å²	67.9	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-41.9	175.8	-70	0	0	0	0	112.3	L102 S105 G106 S110 G118	L102-S114 VanDerWaalsContact CD1-O 3.27Å; L102-S114 WeakPolarHBondContact CD1-O 3.25Å; S105-S114 WeakPolarHBondContact CB-OG 3.36Å; S105-S114 PolarHBondContact O-OG 3.31Å; S105-S114 WeakPolarHBondContact OG-CB 3.34Å; S105-S114 PolarHBondContact OG-OG 3.47Å; G106-S114 WeakPolarHBondContact CA-OG 3.41Å; G106-S114 PolarHBondContact N-OG 3.49Å; G106-S114 VanDerWaalsContact N-OG 3.14Å; S110-S114 VanDerWaalsContact O-CB 3.3Å; S110-S114 WeakPolarHBondContact O-CB 3.23Å; S110-S114 PolarHBondContact O-N 3.02Å; S110-S114 PolarHBondContact O-OG 2.95Å; S110-S114 VanDerWaalsContact O-OG 3.07Å; S114-G118 PolarHBondContact O-N 2.97Å
115	S	94.6	Very high	94.6	Very high	14 Å²	14	65.9 Å²	65.9	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-43.9	176.5	-57.2	0	0	0	0	111.4	L43 Q111 G112 L113 G118 L119	L43-S115 PolarHBondContact N-OG 3.43Å; Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.42Å; Q111-S115 PolarHBondContact O-OG 2.96Å; G112-S115 PolarHBondContact O-N 2.74Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 3.44Å; S115-G118 PolarHBondContact O-N 2.91Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.46Å
116	L	95.4	Very high	94.6	Very high	98 Å²	98	66.2 Å²	66.2	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-48.3	177	-179	64	0	0	0	112	G112 L113 G118 L119 L120	G112-L116 PolarHBondContact O-N 3.31Å; L113-L116 PolarHBondContact O-N 3.21Å; L116-G118 PolarHBondContact O-N 2.99Å; L116-L119 PolarHBondContact O-N 3.14Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 2.75Å
117	C	96.7	Very high	94.6	Very high	68 Å²	68	68.2 Å²	68.2	46%	0.459	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-37.5	174.5	-73.7	0	0	0	0	111.7	L113 L120 Y121	L113-C117 WeakPolarHBondContact O-CB 3.38Å; L113-C117 PolarHBondContact O-N 3.24Å; L113-C117 PolarHBondContact O-SG 2.82Å; L113-C117 VanDerWaalsContact O-SG 3.39Å; C117-L120 PolarHBondContact O-N 3.35Å; C117-Y121 PolarHBondContact O-N 3.46Å
118	G	97	Very high	94.7	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-42	175.6	0	0	0	0	0	113.1	S114 S115 L116 L120 Y121 L122	S114-G118 PolarHBondContact O-N 2.97Å; S115-G118 PolarHBondContact O-N 2.91Å; L116-G118 PolarHBondContact O-N 2.99Å; G118-L120 PolarHBondContact O-N 3.07Å; G118-Y121 WeakPolarHBondContact O-CB 3.38Å; G118-Y121 PolarHBondContact O-N 2.86Å; G118-L122 WeakPolarHBondContact O-CG 3.18Å; G118-L122 PolarHBondContact O-N 3.25Å
119	L	97.3	Very high	94.7	Very high	82 Å²	82	57.6 Å²	57.6	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-42.2	173.5	-69.5	174.4	0	0	0	112.1	V46 L49 S115 L116 Y121 L122 Y123	V46-L119 HydrophobicContact CG2-CD2 3.97Å; V46-L119 HydrophobicContact CG2-CG 3.96Å; L49-L119 HydrophobicContact CD1-CD2 3.86Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.46Å; L116-L119 PolarHBondContact O-N 3.14Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.23Å; L119-L122 PolarHBondContact O-N 2.89Å; L119-Y123 PolarHBondContact O-N 3.31Å
120	L	97.7	Very high	94.7	Very high	109 Å²	109	56.3 Å²	56.3	57%	0.571	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-39.6	175.4	-68.6	173.6	0	0	0	111.8	L116 C117 G118 G124	L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 2.75Å; C117-L120 PolarHBondContact O-N 3.35Å; G118-L120 PolarHBondContact O-N 3.07Å; L120-G124 PolarHBondContact O-N 2.72Å
121	Y	97.3	Very high	94.7	Very high	66 Å²	66	54.9 Å²	54.9	26%	0.259	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-49.3	174.8	171.6	-89	0	0	0	111.9	F98 C117 G118 L119 Y123 G124 R125	F98-Y121 HydrophobicContact CB-CD1 4.37Å; F98-Y121 HydrophobicContact CB-CE1 3.71Å; F98-Y121 HydrophobicContact CB-CE2 4.38Å; F98-Y121 HydrophobicContact CD1-CD1 4.07Å; F98-Y121 AromaticContact CD1-CE1 3.78Å; F98-Y121 HydrophobicContact CD1-CE1 3.78Å; F98-Y121 AromaticContact CD2-CD1 3.32Å; F98-Y121 HydrophobicContact CD2-CD1 3.32Å; F98-Y121 HydrophobicContact CD2-CD2 4.26Å; F98-Y121 AromaticContact CD2-CE1 3.56Å; F98-Y121 HydrophobicContact CD2-CE1 3.56Å; F98-Y121 HydrophobicContact CD2-CE2 4.42Å; F98-Y121 AromaticContact CD2-CG 3.71Å; F98-Y121 HydrophobicContact CD2-CG 3.71Å; F98-Y121 HydrophobicContact CE1-CD1 4.17Å; F98-Y121 HydrophobicContact CE1-CE1 4.28Å; F98-Y121 AromaticContact CE2-CD1 3.45Å; F98-Y121 HydrophobicContact CE2-CD1 3.45Å; F98-Y121 VanDerWaalsContact CE2-CD1 3.45Å; F98-Y121 HydrophobicContact CE2-CE1 4.1Å; F98-Y121 AromaticContact CE2-CG 3.88Å; F98-Y121 HydrophobicContact CE2-CG 3.88Å; F98-Y121 AromaticContact CG-CD1 3.64Å; F98-Y121 HydrophobicContact CG-CD1 3.64Å; F98-Y121 AromaticContact CG-CE1 3.37Å; F98-Y121 HydrophobicContact CG-CE1 3.37Å; F98-Y121 HydrophobicContact CG-CG 4.39Å; F98-Y121 AromaticContact CG-CZ 3.88Å; F98-Y121 AromaticContact CZ-CD1 3.87Å; F98-Y121 HydrophobicContact CZ-CD1 3.87Å; F98-Y121 HydrophobicContact CZ-CE1 4.41Å; C117-Y121 PolarHBondContact O-N 3.46Å; G118-Y121 WeakPolarHBondContact O-CB 3.38Å; G118-Y121 PolarHBondContact O-N 2.86Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.23Å; Y121-Y123 VanDerWaalsContact C-N 3.34Å; Y121-Y123 PolarHBondContact O-N 3.35Å; Y121-G124 PolarHBondContact O-N 2.93Å; Y121-R125 HydrophobicContact CD1-CG 4.2Å; Y121-R125 HydrophobicContact CE1-CG 3.66Å; Y121-R125 HydrophobicContact CE2-CG 4.22Å; Y121-R125 WeakPolarHBondContact O-CG 3.18Å; Y121-R125 PolarHBondContact O-N 3.37Å; Y121-R125 PolarHBondContact OH-NE 2.99Å; Y121-R125 VanDerWaalsContact OH-NE 3.09Å
122	L	97.4	Very high	94.6	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-45.7	178.6	-64.8	179.4	0	0	0	110.7	V46 L49 E53 F98 G118 L119 G124 R125 L126	V46-L122 HydrophobicContact CG1-CD1 4.1Å; L49-L122 HydrophobicContact CB-CD1 3.84Å; E53-L122 VanDerWaalsContact OE2-CD2 3.25Å; E53-L122 WeakPolarHBondContact OE2-CD2 3.45Å; F98-L122 HydrophobicContact CE1-CD2 3.9Å; F98-L122 HydrophobicContact CZ-CD2 4.09Å; F98-L122 HydrophobicContact CZ-CG 4.28Å; G118-L122 WeakPolarHBondContact O-CG 3.18Å; G118-L122 PolarHBondContact O-N 3.25Å; L119-L122 PolarHBondContact O-N 2.89Å; L122-G124 VanDerWaalsContact C-N 3.31Å; L122-G124 PolarHBondContact O-N 2.98Å; L122-R125 WeakPolarHBondContact O-CB 3.27Å; L122-R125 PolarHBondContact O-N 3.5Å; L122-L126 PolarHBondContact O-N 3.32Å
123	Y	97.4	Very high	94.1	Very high	158 Å²	158	54.4 Å²	54.4	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-57.3	-44.8	175.3	-179.6	-101.7	0	0	0	112.5	L119 Y121 R125 L126 C127	L119-Y123 PolarHBondContact O-N 3.31Å; Y121-Y123 VanDerWaalsContact C-N 3.34Å; Y121-Y123 PolarHBondContact O-N 3.35Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.81Å; Y123-L126 PolarHBondContact O-N 3.28Å; Y123-C127 PolarHBondContact O-N 3.05Å; Y123-C127 PolarHBondContact O-SG 3.49Å
124	G	96.3	Very high	93.5	Very high	37 Å²	37	58.1 Å²	58.1	38%	0.381	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-37.3	175	0	0	0	0	0	112.9	L120 Y121 L122 C127 Y128	L120-G124 PolarHBondContact O-N 2.72Å; Y121-G124 PolarHBondContact O-N 2.93Å; L122-G124 VanDerWaalsContact C-N 3.31Å; L122-G124 PolarHBondContact O-N 2.98Å; G124-C127 PolarHBondContact O-N 3.04Å; G124-Y128 VanDerWaalsContact O-CB 3.3Å; G124-Y128 WeakPolarHBondContact O-CB 3.3Å; G124-Y128 PolarHBondContact O-N 3.49Å
125	R	95.7	Very high	92.6	Very high	32 Å²	32	60 Å²	60	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-38.8	176.8	-76.1	-68.3	178.7	-174.6	-4.4	112.9	N90 Y121 L122 Y123 Y128 F129	N90-R125 PolarHBondContact OD1-NH1 2.88Å; Y121-R125 HydrophobicContact CD1-CG 4.2Å; Y121-R125 HydrophobicContact CE1-CG 3.66Å; Y121-R125 HydrophobicContact CE2-CG 4.22Å; Y121-R125 WeakPolarHBondContact O-CG 3.18Å; Y121-R125 PolarHBondContact O-N 3.37Å; Y121-R125 PolarHBondContact OH-NE 2.99Å; Y121-R125 VanDerWaalsContact OH-NE 3.09Å; L122-R125 WeakPolarHBondContact O-CB 3.27Å; L122-R125 PolarHBondContact O-N 3.5Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.81Å; R125-Y128 PolarHBondContact O-N 2.79Å; R125-F129 WeakPolarHBondContact O-CB 3.43Å; R125-F129 PolarHBondContact O-N 3.49Å
126	L	94.9	Very high	91.2	Very high	43 Å²	43	62 Å²	62	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-47.6	172.9	-172.3	58.7	0	0	0	111.7	E53 Y56 F57 L122 Y123 F129 W130	E53-L126 WeakPolarHBondContact OE1-CB 3.4Å; E53-L126 PolarHBondContact OE1-N 3.31Å; Y56-L126 HydrophobicContact CE1-CD1 4.2Å; F57-L126 HydrophobicContact CE1-CD1 4.02Å; F57-L126 HydrophobicContact CZ-CD1 4.46Å; L122-L126 PolarHBondContact O-N 3.32Å; Y123-L126 PolarHBondContact O-N 3.28Å; L126-F129 PolarHBondContact O-N 3.4Å; L126-W130 HydrophobicContact CD1-CD2 4.23Å; L126-W130 HydrophobicContact CD1-CH2 4.22Å; L126-W130 HydrophobicContact CD1-CZ2 3.77Å; L126-W130 HydrophobicContact CD2-CH2 3.74Å; L126-W130 HydrophobicContact CD2-CZ2 4.1Å; L126-W130 HydrophobicContact CD2-CZ3 4.07Å; L126-W130 HydrophobicContact CG-CD2 4.21Å; L126-W130 HydrophobicContact CG-CE3 4.14Å; L126-W130 HydrophobicContact CG-CH2 3.91Å; L126-W130 HydrophobicContact CG-CZ2 3.98Å; L126-W130 HydrophobicContact CG-CZ3 3.99Å; L126-W130 PolarHBondContact O-N 3.39Å
127	C	94.3	Very high	89.6	Confident	53 Å²	53	66 Å²	66	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-46	175.7	-73.3	0	0	0	0	111.9	Y123 G124 F129 W130 G131	Y123-C127 PolarHBondContact O-N 3.05Å; Y123-C127 PolarHBondContact O-SG 3.49Å; G124-C127 PolarHBondContact O-N 3.04Å; C127-F129 VanDerWaalsContact C-N 3.35Å; C127-F129 PolarHBondContact O-N 2.86Å; C127-W130 PolarHBondContact O-N 2.9Å; C127-G131 PolarHBondContact O-N 3.38Å
128	Y	93.8	Very high	88	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-57	-47.6	175.4	171.1	-95	0	0	0	111.4	N90 G124 R125 W130 G131 Y132 R139	N90-Y128 HydrophobicContact CB-CE1 4.3Å; G124-Y128 VanDerWaalsContact O-CB 3.3Å; G124-Y128 WeakPolarHBondContact O-CB 3.3Å; G124-Y128 PolarHBondContact O-N 3.49Å; R125-Y128 PolarHBondContact O-N 2.79Å; Y128-W130 PolarHBondContact O-N 3.34Å; Y128-G131 PolarHBondContact O-N 3.26Å; Y128-Y132 HydrophobicContact CE2-CD2 4.17Å; Y128-Y132 AromaticContact CZ-CD2 3.96Å; Y128-Y132 WeakPolarHBondContact O-CB 3.43Å; Y128-Y132 PolarHBondContact O-N 2.95Å; Y128-R139 HydrophobicContact CD2-CB 4.45Å; Y128-R139 WeakPolarHBondContact CD2-OXT 3.46Å; Y128-R139 HydrophobicContact CE2-CB 4.05Å
129	F	92.8	Very high	86	Confident	3 Å²	3	74.5 Å²	74.5	1%	0.013	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-46.2	-178.1	-177	-89.6	0	0	0	112	F57 Q60 I84 A87 Q88 R125 L126 C127 A133	F57-F129 HydrophobicContact CB-CD2 4.17Å; F57-F129 HydrophobicContact CB-CE2 3.82Å; F57-F129 HydrophobicContact CB-CZ 4.24Å; F57-F129 HydrophobicContact CD1-CB 3.96Å; F57-F129 AromaticContact CD1-CD1 3.56Å; F57-F129 HydrophobicContact CD1-CD1 3.56Å; F57-F129 AromaticContact CD1-CD2 3.43Å; F57-F129 HydrophobicContact CD1-CD2 3.43Å; F57-F129 VanDerWaalsContact CD1-CD2 3.43Å; F57-F129 AromaticContact CD1-CE1 3.84Å; F57-F129 HydrophobicContact CD1-CE1 3.84Å; F57-F129 AromaticContact CD1-CE2 3.73Å; F57-F129 HydrophobicContact CD1-CE2 3.73Å; F57-F129 AromaticContact CD1-CG 3.34Å; F57-F129 HydrophobicContact CD1-CG 3.34Å; F57-F129 AromaticContact CD1-CZ 3.92Å; F57-F129 HydrophobicContact CD1-CZ 3.92Å; F57-F129 HydrophobicContact CD2-CD2 4.23Å; F57-F129 HydrophobicContact CE1-CB 3.4Å; F57-F129 AromaticContact CE1-CD1 3.66Å; F57-F129 HydrophobicContact CE1-CD1 3.66Å; F57-F129 AromaticContact CE1-CD2 3.83Å; F57-F129 HydrophobicContact CE1-CD2 3.83Å; F57-F129 HydrophobicContact CE1-CE1 4.4Å; F57-F129 AromaticContact CE1-CG 3.33Å; F57-F129 HydrophobicContact CE1-CG 3.33Å; F57-F129 HydrophobicContact CE2-CB 4.44Å; F57-F129 AromaticContact CG-CD2 3.69Å; F57-F129 HydrophobicContact CG-CD2 3.69Å; F57-F129 AromaticContact CG-CE2 3.86Å; F57-F129 HydrophobicContact CG-CE2 3.86Å; F57-F129 HydrophobicContact CG-CG 4.08Å; F57-F129 HydrophobicContact CG-CZ 4.36Å; F57-F129 HydrophobicContact CZ-CB 3.68Å; F57-F129 HydrophobicContact CZ-CD2 4.36Å; F57-F129 HydrophobicContact CZ-CG 4.02Å; Q60-F129 HydrophobicContact CB-CE1 4.01Å; Q60-F129 HydrophobicContact CB-CZ 3.76Å; Q60-F129 HydrophobicContact CG-CE1 3.99Å; Q60-F129 HydrophobicContact CG-CZ 4.23Å; I84-F129 HydrophobicContact CG2-CZ 3.94Å; A87-F129 HydrophobicContact CB-CD2 3.55Å; A87-F129 HydrophobicContact CB-CE2 3.81Å; A87-F129 HydrophobicContact CB-CG 4.39Å; Q88-F129 HydrophobicContact CB-CE2 4.07Å; R125-F129 WeakPolarHBondContact O-CB 3.43Å; R125-F129 PolarHBondContact O-N 3.49Å; L126-F129 PolarHBondContact O-N 3.4Å; C127-F129 VanDerWaalsContact C-N 3.35Å; C127-F129 PolarHBondContact O-N 2.86Å; F129-A133 VanDerWaalsContact O-CB 3.29Å; F129-A133 WeakPolarHBondContact O-CB 3.45Å; F129-A133 PolarHBondContact O-N 3.25Å
130	W	90.4	Very high	85.4	Confident	135 Å²	135	74.2 Å²	74.2	51%	0.511	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177.6	-72.4	-25.3	0	0	0	112.3	Y56 L126 C127 Y128 Y132 A133 E134	Y56-W130 PolarHBondContact OH-NE1 3.42Å; L126-W130 HydrophobicContact CD1-CD2 4.23Å; L126-W130 HydrophobicContact CD1-CH2 4.22Å; L126-W130 HydrophobicContact CD1-CZ2 3.77Å; L126-W130 HydrophobicContact CD2-CH2 3.74Å; L126-W130 HydrophobicContact CD2-CZ2 4.1Å; L126-W130 HydrophobicContact CD2-CZ3 4.07Å; L126-W130 HydrophobicContact CG-CD2 4.21Å; L126-W130 HydrophobicContact CG-CE3 4.14Å; L126-W130 HydrophobicContact CG-CH2 3.91Å; L126-W130 HydrophobicContact CG-CZ2 3.98Å; L126-W130 HydrophobicContact CG-CZ3 3.99Å; L126-W130 PolarHBondContact O-N 3.39Å; C127-W130 PolarHBondContact O-N 2.9Å; Y128-W130 PolarHBondContact O-N 3.34Å; W130-Y132 VanDerWaalsContact C-N 3.35Å; W130-Y132 PolarHBondContact O-N 3.01Å; W130-A133 PolarHBondContact O-N 3.05Å; W130-E134 PolarHBondContact O-N 3.39Å; W130-E134 VanDerWaalsContact O-N 3.12Å
131	G	90.1	Very high	84.7	Confident	20 Å²	20	72.3 Å²	72.3	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-43.5	177.8	0	0	0	0	0	112.4	C127 Y128 E134 S135 G138	C127-G131 PolarHBondContact O-N 3.38Å; Y128-G131 PolarHBondContact O-N 3.26Å; G131-E134 PolarHBondContact O-N 3.42Å; G131-S135 PolarHBondContact O-N 3.05Å; G131-G138 CarbonylContact C-O 3.07Å; G131-G138 WeakPolarHBondContact CA-O 3.33Å
132	Y	87.8	Confident	84	Confident	43 Å²	43	72.7 Å²	72.7	17%	0.169	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-36.6	177.5	-156.4	-85.4	0	0	0	112.6	R83 R86 A87 Y128 W130 E134 R139	R83-Y132 HydrophobicContact CB-CD1 4.11Å; R83-Y132 HydrophobicContact CB-CE1 4.24Å; R83-Y132 WeakPolarHBondContact CB-O 3.46Å; R83-Y132 WeakPolarHBondContact CD-O 3.29Å; R83-Y132 HydrophobicContact CG-CD1 4.47Å; R83-Y132 HydrophobicContact CG-CE1 4.31Å; R83-Y132 WeakPolarHBondContact O-CD1 3.44Å; R83-Y132 WeakPolarHBondContact O-CE1 3.43Å; R86-Y132 HydrophobicContact CB-CE1 3.99Å; A87-Y132 HydrophobicContact CB-CD1 3.76Å; A87-Y132 HydrophobicContact CB-CG 4.12Å; Y128-Y132 HydrophobicContact CE2-CD2 4.17Å; Y128-Y132 AromaticContact CZ-CD2 3.96Å; Y128-Y132 WeakPolarHBondContact O-CB 3.43Å; Y128-Y132 PolarHBondContact O-N 2.95Å; W130-Y132 VanDerWaalsContact C-N 3.35Å; W130-Y132 PolarHBondContact O-N 3.01Å; Y132-E134 VanDerWaalsContact C-N 3.3Å; Y132-E134 PolarHBondContact O-N 3.19Å; Y132-R139 HydrophobicContact CD2-CB 3.8Å; Y132-R139 HydrophobicContact CE2-CB 4.3Å
133	A	81.6	Confident	83.3	Confident	26 Å²	26	76.2 Å²	76.2	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-38.2	176.2	0	0	0	0	0	111.8	I84 F129 W130	I84-A133 HydrophobicContact CG1-CB 3.87Å; F129-A133 VanDerWaalsContact O-CB 3.29Å; F129-A133 WeakPolarHBondContact O-CB 3.45Å; F129-A133 PolarHBondContact O-N 3.25Å; W130-A133 PolarHBondContact O-N 3.05Å
134	E	81	Confident	82.4	Confident	166 Å²	166	71.1 Å²	71.1	78%	0.776	37%	0.373	S	S	*	.	H	α-helix	trans	-78.4	-46.3	-178.4	-171.1	146.6	-154.4	0	0	112.4	W130 G131 Y132	W130-E134 PolarHBondContact O-N 3.39Å; W130-E134 VanDerWaalsContact O-N 3.12Å; G131-E134 PolarHBondContact O-N 3.42Å; Y132-E134 VanDerWaalsContact C-N 3.3Å; Y132-E134 PolarHBondContact O-N 3.19Å
135	S	76.1	Confident	81.4	Confident	48 Å²	48	73.3 Å²	73.3	34%	0.336	37%	0.372	S	S	.	.			trans	-149.6	144.4	177.7	72.7	0	0	0	0	112.5	G131 Q137 G138	G131-S135 PolarHBondContact O-N 3.05Å; S135-Q137 PolarHBondContact O-N 2.86Å; S135-Q137 VanDerWaalsContact O-N 3.16Å; S135-G138 PolarHBondContact O-N 3.06Å; S135-G138 PolarHBondContact OG-N 3.02Å
136	A	64.1	Low	80.4	Confident	55 Å²	55	76.3 Å²	76.3	46%	0.455	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.2	176.3	0	0	0	0	0	113.2
137	Q	62.9	Low	79.3	Confident	182 Å²	182	78.8 Å²	78.8	85%	0.85	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-29.3	178	-136.9	101.8	-3.5	0	0	112.4	S135 R139	S135-Q137 PolarHBondContact O-N 2.86Å; S135-Q137 VanDerWaalsContact O-N 3.16Å; Q137-R139 PolarHBondContact O-N 3.23Å
138	G	63.1	Low	78.1	Confident	36 Å²	36	81 Å²	81	37%	0.371	41%	0.407	S	S	.	.			trans	-82.8	37.5	-175.7	0	0	0	0	0	114.3	G131 S135	G131-G138 CarbonylContact C-O 3.07Å; G131-G138 WeakPolarHBondContact CA-O 3.33Å; S135-G138 PolarHBondContact O-N 3.06Å; S135-G138 PolarHBondContact OG-N 3.02Å
139	R	53.4	Low	76.6	Confident	214 Å²	214	84.4 Å²	84.4	81%	0.808	43%	0.428	S	S	*	.			trans	-85.2	0	179.7	59.8	178.5	162.4	83.7	-0.5	112.6	Y128 Y132 Q137	Y128-R139 HydrophobicContact CD2-CB 4.45Å; Y128-R139 WeakPolarHBondContact CD2-OXT 3.46Å; Y128-R139 HydrophobicContact CE2-CB 4.05Å; Y132-R139 HydrophobicContact CD2-CB 3.8Å; Y132-R139 HydrophobicContact CE2-CB 4.3Å; Q137-R139 PolarHBondContact O-N 3.23Å

Retrieved 139 of 139 residues in 25.5 ms (Link to these results)

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