A0A087WZJ9_HUMAN Loading...

5-hydroxytryptamine receptor 2A

AlphaFold DB , UniProt , Accession A0A087WZJ9, Species HUMAN (Homo sapiens, Human), Gene HTR2A, Length 110 aa.

						>A0A087WZJ9_HUMAN|A0A087WZJ9|HTR2A
FNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGEWH
					

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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	F	41	Very low	45.2	Very low	263 Å²	263	134.2 Å²	134.2	100%	1.154	81%	0.807	S	S	*	*				0	136.3	0	-109	-93.7	0	0	0	107.9
2	N	30.5	Very low	45.6	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	81%	0.81	S	S	*	*			trans	69	109.7	-167.9	-96.6	23.7	0	0	0	115.4
3	S	43.3	Very low	45.6	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	81%	0.807	S	S	*	*			cis	53.3	96.1	47.4	-62.8	0	0	0	0	112.7
4	G	42.3	Very low	45.5	Very low	79 Å²	79	146.9 Å²	146.9	81%	0.814	82%	0.816	S	S	*	*			trans	-134.2	121.6	160.9	0	0	0	0	0	107.2
5	E	47.2	Very low	45.7	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	82%	0.817	S	S	*	*			trans	-47.9	152.2	-169.5	-86.3	152	49.7	0	0	117.9
6	A	52.7	Low	45.9	Very low	90 Å²	90	145.6 Å²	145.6	74%	0.744	82%	0.818	S	S	*	*			trans	-59.5	135.9	164.3	0	0	0	0	0	112.1
7	N	40.1	Very low	45.9	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	81%	0.814	S	S	*	*			trans	-138.1	108.6	155.7	-65.1	-43.8	0	0	0	109.4
8	T	50.4	Low	45.7	Very low	111 Å²	111	142.6 Å²	142.6	68%	0.681	81%	0.806	S	S	*	*			trans	-50.5	122.4	172.8	-48.9	0	0	0	0	112.4
9	S	49.2	Very low	45.5	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	80%	0.8	S	S	*	*			trans	-153.3	32.2	163.4	-60.9	0	0	0	0	111.3	A11	S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.48Å; S9-A11 VanDerWaalsContact O-N 3.12Å
10	D	51.8	Low	45.6	Very low	138 Å²	138	142.1 Å²	142.1	74%	0.738	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	90.6	155.3	11.2	-56	0	0	0	107.3
11	A	48.3	Very low	45.3	Very low	85 Å²	85	144.1 Å²	144.1	70%	0.702	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.9	-21.9	164.1	0	0	0	0	0	115.8	S9	S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.48Å; S9-A11 VanDerWaalsContact O-N 3.12Å
12	F	50.8	Low	45.8	Very low	191 Å²	191	137.7 Å²	137.7	84%	0.838	77%	0.772	S	S	*	*	S	Bend	trans	-133.3	26.2	-154.6	-117.4	-81.7	0	0	0	118.3
13	N	45.6	Very low	46.6	Very low	145 Å²	145	136 Å²	136	78%	0.775	76%	0.763	S	S	*	*	S	Bend	trans	-139.2	6.6	174.6	-125.1	-0.2	0	0	0	120.1
14	W	43.2	Very low	46.6	Very low	245 Å²	245	137 Å²	137	93%	0.928	76%	0.758	S	S	*	*	S	Bend	trans	-151.8	76.8	174.6	-74.8	92.2	0	0	0	114
15	T	49.4	Very low	46.2	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	75%	0.754	S	S	*	*			trans	170.5	67.7	146.3	48.3	0	0	0	0	113.5
16	V	48	Very low	45.7	Very low	137 Å²	137	134 Å²	134	83%	0.83	74%	0.744	S	S	*	*			trans	-128	66.6	143.4	-178.7	0	0	0	0	105.1	S18	V16-S18 VanDerWaalsContact C-N 3.32Å
17	D	47.3	Very low	45.2	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	76%	0.756	S	S	*	*				-24.8	96.2	101	-126.8	-67.3	0	0	0	114.8
18	S	41.3	Very low	45.2	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	75%	0.747	S	S	*	*			trans	-141.7	80.8	144.3	-169.7	0	0	0	0	106.6	V16	V16-S18 VanDerWaalsContact C-N 3.32Å
19	E	42.4	Very low	44.4	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	75%	0.752	S	S	*	*				38	119	120.1	-66.7	-165	90.3	0	0	116.5
20	N	46.8	Very low	44.1	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	75%	0.752	S	S	*	*				79.4	42.9	115.9	-167.5	47.2	0	0	0	119.3
21	R	40	Very low	43.5	Very low	185 Å²	185	133.6 Å²	133.6	70%	0.698	73%	0.734	S	S	*	*			trans	-130.4	63.3	157.2	-75.5	-74.2	-91.9	-131.8	-15.5	113.6	N23	R21-N23 PolarHBondContact NE-O 3.32Å; R21-N23 PolarHBondContact O-N 3.37Å
22	T	50.8	Low	43.4	Very low	129 Å²	129	134.7 Å²	134.7	79%	0.791	73%	0.734	S	S	*	*			trans	-62	25.5	147.1	39.7	0	0	0	0	113.5
23	N	48.6	Very low	42.8	Very low	115 Å²	115	129.4 Å²	129.4	62%	0.615	72%	0.721	S	S	*	*			trans	-153.7	84.5	-177.7	-76.7	-67.2	0	0	0	111.2	R21	R21-N23 PolarHBondContact NE-O 3.32Å; R21-N23 PolarHBondContact O-N 3.37Å
24	L	43.5	Very low	42.5	Very low	135 Å²	135	127.3 Å²	127.3	71%	0.707	72%	0.717	S	S	*	*			trans	-171.4	120.9	140.3	-132.1	73.3	0	0	0	112.5
25	S	33.1	Very low	42.7	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	70%	0.699	S	S	*	*			trans	68.5	132.9	160.2	-69	0	0	0	0	118.7
26	C	36.4	Very low	42.3	Very low	94 Å²	94	118.3 Å²	118.3	64%	0.635	69%	0.687	S	S	*	*			cis	-163.8	136.8	-6.4	-95.6	0	0	0	0	105	G28	C26-G28 VanDerWaalsContact C-N 3.31Å; C26-G28 PolarHBondContact O-N 3.24Å
27	E	41.3	Very low	42	Very low	215 Å²	215	119.2 Å²	119.2	100%	1.005	69%	0.687	S	S	*	*	S	Bend	trans	-61.4	98	157.9	-60.9	-174.3	94.3	0	0	107.1
28	G	41.5	Very low	41.9	Very low	58 Å²	58	116.5 Å²	116.5	60%	0.598	67%	0.672	S	S	*	*			trans	158.3	48.2	-170.7	0	0	0	0	0	113.2	C26 L30	C26-G28 VanDerWaalsContact C-N 3.31Å; C26-G28 PolarHBondContact O-N 3.24Å; G28-L30 PolarHBondContact O-N 3.47Å
29	C	33	Very low	42.3	Very low	116 Å²	116	119.7 Å²	119.7	78%	0.784	68%	0.676	S	S	*	*			trans	-76.9	72.1	172.2	-63.7	0	0	0	0	110.8	S31	C29-S31 PolarHBondContact O-N 2.99Å
30	L	42.7	Very low	42.3	Very low	152 Å²	152	120.2 Å²	120.2	80%	0.796	68%	0.683	S	S	*	*			trans	-68	85.1	138.7	-97.5	78.7	0	0	0	105.4	G28	G28-L30 PolarHBondContact O-N 3.47Å
31	S	38.5	Very low	42.8	Very low	51 Å²	51	121.7 Å²	121.7	36%	0.357	69%	0.686	S	S	.	*			trans	-75	130.5	-169.5	-163.4	0	0	0	0	111.7	C29 S33	C29-S31 PolarHBondContact O-N 2.99Å; S31-S33 PolarHBondContact O-N 3.05Å; S31-S33 PolarHBondContact OG-OG 3.08Å
32	P	46.3	Very low	43.5	Very low	108 Å²	108	120.3 Å²	120.3	70%	0.701	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-1.4	174.2	27.5	-27.6	0	0	0	113.2
33	S	39.5	Very low	43.4	Very low	81 Å²	81	119 Å²	119	57%	0.566	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-21.1	-178.3	-33.2	0	0	0	0	114	S31	S31-S33 PolarHBondContact O-N 3.05Å; S31-S33 PolarHBondContact OG-OG 3.08Å
34	C	39.4	Very low	43.9	Very low	101 Å²	101	120.6 Å²	120.6	68%	0.682	68%	0.679	S	S	*	*	S	Bend	trans	-79	-25.5	-176.2	-46	0	0	0	0	112.8	S36	C34-S36 VanDerWaalsContact C-N 3.25Å; C34-S36 PolarHBondContact O-N 2.93Å
35	L	46.2	Very low	44.9	Very low	108 Å²	108	118.3 Å²	118.3	57%	0.565	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-73	-20.3	177.3	-172.2	127.5	0	0	0	112.4	I54	L35-I54 HydrophobicContact CD1-CD1 3.67Å; L35-I54 HydrophobicContact CD1-CG1 4.22Å; L35-I54 HydrophobicContact CD1-CG2 3.72Å; L35-I54 HydrophobicContact CG-CD1 4.15Å
36	S	41.3	Very low	46.2	Very low	83 Å²	83	116.4 Å²	116.4	58%	0.58	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-87.3	-10.9	-173.8	-60.6	0	0	0	0	113.9	C34	C34-S36 VanDerWaalsContact C-N 3.25Å; C34-S36 PolarHBondContact O-N 2.93Å
37	L	41.7	Very low	47.7	Very low	157 Å²	157	114.8 Å²	114.8	82%	0.822	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-88.9	-5.7	179.8	-158.3	154.3	0	0	0	113.6	H39	L37-H39 PolarHBondContact O-N 3.16Å
38	L	46.2	Very low	49	Very low	85 Å²	85	109.5 Å²	109.5	45%	0.445	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-87.6	17.6	170.1	-163	-108.9	0	0	0	112	L40 T50	L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.3Å; L38-T50 HydrophobicContact CB-CG2 4.29Å; L38-T50 HydrophobicContact CD1-CG2 3.27Å; L38-T50 VanDerWaalsContact CD1-OG1 3.23Å; L38-T50 WeakPolarHBondContact CD1-OG1 3.38Å; L38-T50 HydrophobicContact CG-CG2 3.64Å
39	H	48.2	Very low	50.2	Low	160 Å²	160	108.7 Å²	108.7	74%	0.741	60%	0.601	S	S	*	*			trans	-90.8	60.8	174.8	-153.9	99.9	0	0	0	111.2	L37	L37-H39 PolarHBondContact O-N 3.16Å
40	L	43.8	Very low	51.6	Low	161 Å²	161	105 Å²	105	84%	0.843	57%	0.574	S	S	*	*			trans	-123.8	82.9	154.6	-80.1	-179.7	0	0	0	109.2	L38 E42	L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.3Å; L40-E42 PolarHBondContact O-N 3.06Å
41	Q	56.9	Low	52.9	Low	157 Å²	157	100 Å²	100	73%	0.734	56%	0.556	S	S	*	*			trans	8.2	98.3	131.7	-164	-138.7	-100.1	0	0	115.4
42	E	53.6	Low	54.4	Low	155 Å²	155	100 Å²	100	72%	0.724	55%	0.553	S	S	*	*				172.4	136.4	110.8	-84.8	-72.6	92.8	0	0	110.5	L40	L40-E42 PolarHBondContact O-N 3.06Å
43	K	48.7	Very low	55.4	Low	101 Å²	101	98.6 Å²	98.6	44%	0.439	54%	0.542	S	S	.	.			trans	79.8	100.9	-177.9	-148.6	175.7	61.5	59.6	0	115.7	W45 S46 Y106	K43-W45 PolarHBondContact O-N 3.44Å; K43-S46 PolarHBondContact O-N 2.72Å; K43-Y106 HydrophobicContact CD-CE1 3.96Å; K43-Y106 PolarHBondContact NZ-OH 3.39Å
44	N	59.8	Low	56.8	Low	149 Å²	149	97.2 Å²	97.2	80%	0.797	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.3	-18.1	177.9	-96.5	-5.7	0	0	0	119.4	L48	N44-L48 WeakPolarHBondContact O-CB 3.41Å; N44-L48 PolarHBondContact O-N 3.13Å
45	W	65.4	Low	58.1	Low	88 Å²	88	97.9 Å²	97.9	33%	0.333	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-44	178.8	-165.7	-82.4	0	0	0	113	K43 L48 L49 L102	K43-W45 PolarHBondContact O-N 3.44Å; W45-L48 PolarHBondContact O-N 3.36Å; W45-L49 PolarHBondContact O-N 3.29Å; W45-L49 VanDerWaalsContact O-N 3.15Å; W45-L102 HydrophobicContact CD2-CD1 3.98Å; W45-L102 HydrophobicContact CD2-CD2 3.43Å; W45-L102 VanDerWaalsContact CD2-CD2 3.43Å; W45-L102 HydrophobicContact CD2-CG 4.24Å; W45-L102 HydrophobicContact CE3-CD1 4.49Å; W45-L102 HydrophobicContact CE3-CD2 3.46Å; W45-L102 VanDerWaalsContact CE3-CD2 3.46Å; W45-L102 HydrophobicContact CG-CD2 4.2Å; W45-L102 HydrophobicContact CH2-CD1 3.47Å; W45-L102 VanDerWaalsContact CH2-CD1 3.47Å; W45-L102 HydrophobicContact CH2-CD2 3.63Å; W45-L102 HydrophobicContact CH2-CG 4.07Å; W45-L102 HydrophobicContact CZ2-CD1 2.86Å; W45-L102 HydrophobicContact CZ2-CD2 3.7Å; W45-L102 HydrophobicContact CZ2-CG 3.82Å; W45-L102 HydrophobicContact CZ3-CD1 4.25Å; W45-L102 HydrophobicContact CZ3-CD2 3.52Å; W45-L102 HydrophobicContact CZ3-CG 4.44Å; W45-L102 VanDerWaalsContact NE1-CD1 3.35Å
46	S	59.5	Low	59.3	Low	65 Å²	65	95 Å²	95	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-75.3	-32.1	-174.2	-55.2	0	0	0	0	112.4	K43 T50	K43-S46 PolarHBondContact O-N 2.72Å; S46-T50 WeakPolarHBondContact O-CB 3.43Å; S46-T50 PolarHBondContact O-N 2.97Å; S46-T50 VanDerWaalsContact O-N 3.15Å; S46-T50 PolarHBondContact O-OG1 2.81Å
47	A	68.6	Low	60.4	Low	59 Å²	59	95 Å²	95	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-42.2	174	0	0	0	0	0	111.4	T50 A51	A47-T50 PolarHBondContact O-N 2.97Å; A47-A51 WeakPolarHBondContact O-CB 3.11Å; A47-A51 PolarHBondContact O-N 3.44Å
48	L	67.4	Low	61.7	Low	104 Å²	104	92.1 Å²	92.1	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-44.2	-179.5	-175.2	131.2	0	0	0	112.3	N44 W45 T50 A51 V52	N44-L48 WeakPolarHBondContact O-CB 3.41Å; N44-L48 PolarHBondContact O-N 3.13Å; W45-L48 PolarHBondContact O-N 3.36Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 2.93Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.48Å; L48-V52 PolarHBondContact O-N 3.48Å; L48-V52 VanDerWaalsContact O-N 3.11Å
49	L	68.1	Low	62.7	Low	41 Å²	41	90 Å²	90	22%	0.215	48%	0.484	C	S	.	.	H	α-helix	trans	-60.1	-41	173.8	-76.5	177.8	0	0	0	111.9	W45 V52 V53 V99	W45-L49 PolarHBondContact O-N 3.29Å; W45-L49 VanDerWaalsContact O-N 3.15Å; L49-V52 PolarHBondContact O-N 3.28Å; L49-V53 VanDerWaalsContact O-CG2 3.28Å; L49-V53 WeakPolarHBondContact O-CG2 3.29Å; L49-V53 PolarHBondContact O-N 3.46Å; L49-V99 HydrophobicContact CD1-CG2 4.05Å; L49-V99 HydrophobicContact CD2-CG2 3.64Å
50	T	62.5	Low	63.8	Low	38 Å²	38	83.9 Å²	83.9	23%	0.233	46%	0.464	C	S	.	.	H	α-helix	trans	-73.2	-37.8	-177.4	-53.2	0	0	0	0	112.2	L38 S46 A47 L48 V52 V53 I54	L38-T50 HydrophobicContact CB-CG2 4.29Å; L38-T50 HydrophobicContact CD1-CG2 3.27Å; L38-T50 VanDerWaalsContact CD1-OG1 3.23Å; L38-T50 WeakPolarHBondContact CD1-OG1 3.38Å; L38-T50 HydrophobicContact CG-CG2 3.64Å; S46-T50 WeakPolarHBondContact O-CB 3.43Å; S46-T50 PolarHBondContact O-N 2.97Å; S46-T50 VanDerWaalsContact O-N 3.15Å; S46-T50 PolarHBondContact O-OG1 2.81Å; A47-T50 PolarHBondContact O-N 2.97Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.4Å; T50-V52 VanDerWaalsContact C-N 3.26Å; T50-V52 PolarHBondContact O-N 2.91Å; T50-V53 PolarHBondContact O-N 3.36Å; T50-I54 HydrophobicContact CG2-CD1 3.78Å; T50-I54 HydrophobicContact CG2-CG1 4.28Å; T50-I54 WeakPolarHBondContact O-CD1 3.42Å; T50-I54 WeakPolarHBondContact O-CG1 3.26Å; T50-I54 PolarHBondContact O-N 3.12Å
51	A	68.8	Low	65	Low	49 Å²	49	79.7 Å²	79.7	41%	0.405	44%	0.443	S	S	.	.	H	α-helix	trans	-58.2	-40.9	171.7	0	0	0	0	0	111.7	A47 L48 I54 I55	A47-A51 WeakPolarHBondContact O-CB 3.11Å; A47-A51 PolarHBondContact O-N 3.44Å; L48-A51 PolarHBondContact O-N 2.93Å; A51-I54 PolarHBondContact O-N 3.28Å; A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.35Å
52	V	70.2	Confident	65.5	Low	50 Å²	50	76.7 Å²	76.7	30%	0.303	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-43.8	176.3	171.9	0	0	0	0	111.6	L48 L49 T50 I54 I55 L56 L95	L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.48Å; L48-V52 PolarHBondContact O-N 3.48Å; L48-V52 VanDerWaalsContact O-N 3.11Å; L49-V52 PolarHBondContact O-N 3.28Å; T50-V52 VanDerWaalsContact C-N 3.26Å; T50-V52 PolarHBondContact O-N 2.91Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 2.88Å; V52-I55 PolarHBondContact O-N 3.22Å; V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 WeakPolarHBondContact O-CB 3.16Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.41Å; V52-L95 HydrophobicContact CG1-CD1 3.91Å; V52-L95 HydrophobicContact CG1-CD2 4.01Å
53	V	66.6	Low	66.5	Low	78 Å²	78	72.3 Å²	72.3	47%	0.473	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-38.5	177.8	170.5	0	0	0	0	111.5	L49 T50 L56 T57	L49-V53 VanDerWaalsContact O-CG2 3.28Å; L49-V53 WeakPolarHBondContact O-CG2 3.29Å; L49-V53 PolarHBondContact O-N 3.46Å; T50-V53 PolarHBondContact O-N 3.36Å; V53-L56 PolarHBondContact O-N 2.84Å; V53-T57 WeakPolarHBondContact O-CB 3.42Å; V53-T57 PolarHBondContact O-N 3.43Å; V53-T57 PolarHBondContact O-OG1 2.87Å
54	I	70.5	Confident	67.3	Low	53 Å²	53	71.7 Å²	71.7	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-44.5	176.6	-67.6	159.9	0	0	0	110.6	L35 T50 A51 V52 T57 I58	L35-I54 HydrophobicContact CD1-CD1 3.67Å; L35-I54 HydrophobicContact CD1-CG1 4.22Å; L35-I54 HydrophobicContact CD1-CG2 3.72Å; L35-I54 HydrophobicContact CG-CD1 4.15Å; T50-I54 HydrophobicContact CG2-CD1 3.78Å; T50-I54 HydrophobicContact CG2-CG1 4.28Å; T50-I54 WeakPolarHBondContact O-CD1 3.42Å; T50-I54 WeakPolarHBondContact O-CG1 3.26Å; T50-I54 PolarHBondContact O-N 3.12Å; A51-I54 PolarHBondContact O-N 3.28Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 2.88Å; I54-T57 WeakPolarHBondContact O-CB 3.47Å; I54-T57 PolarHBondContact O-N 2.82Å; I54-I58 HydrophobicContact CG2-CD1 4.28Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 2.87Å; I54-I58 VanDerWaalsContact O-N 3.08Å
55	I	66.1	Low	67.7	Low	114 Å²	114	69.9 Å²	69.9	59%	0.585	41%	0.406	S	S	*	.	H	α-helix	trans	-66.6	-39.1	178.8	-67.4	167.8	0	0	0	111.2	A51 V52 T57 I58 A59	A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3.35Å; V52-I55 PolarHBondContact O-N 3.22Å; I55-T57 VanDerWaalsContact C-N 3.28Å; I55-T57 PolarHBondContact O-N 3.4Å; I55-I58 PolarHBondContact O-N 2.88Å; I55-A59 VanDerWaalsContact O-CB 3.3Å; I55-A59 WeakPolarHBondContact O-CB 3.46Å; I55-A59 PolarHBondContact O-N 2.88Å
56	L	71.7	Confident	67.5	Low	49 Å²	49	71.3 Å²	71.3	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-35.6	172.8	-72.5	178	0	0	0	112.5	V52 V53 I58 A59 G60 L91 L95	V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 WeakPolarHBondContact O-CB 3.16Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.41Å; V53-L56 PolarHBondContact O-N 2.84Å; L56-I58 VanDerWaalsContact C-N 3.32Å; L56-I58 PolarHBondContact O-N 3.04Å; L56-A59 PolarHBondContact O-N 2.74Å; L56-G60 PolarHBondContact O-N 3.49Å; L56-L91 HydrophobicContact CD1-CB 4.46Å; L56-L91 HydrophobicContact CD2-CB 4.04Å; L56-L91 HydrophobicContact CD2-CD1 3.54Å; L56-L91 HydrophobicContact CD2-CD2 3.95Å; L56-L91 HydrophobicContact CD2-CG 4.02Å; L56-L95 HydrophobicContact CD1-CD1 3.52Å
57	T	64.4	Low	67.8	Low	82 Å²	82	69.4 Å²	69.4	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-37	176.2	-57.9	0	0	0	0	111.3	V53 I54 I55 N61	V53-T57 WeakPolarHBondContact O-CB 3.42Å; V53-T57 PolarHBondContact O-N 3.43Å; V53-T57 PolarHBondContact O-OG1 2.87Å; I54-T57 WeakPolarHBondContact O-CB 3.47Å; I54-T57 PolarHBondContact O-N 2.82Å; I55-T57 VanDerWaalsContact C-N 3.28Å; I55-T57 PolarHBondContact O-N 3.4Å; T57-N61 PolarHBondContact O-N 2.92Å; T57-N61 PolarHBondContact O-ND2 3.43Å
58	I	69	Low	67.4	Low	96 Å²	96	71 Å²	71	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-76.5	-44.3	176.8	-61.4	167.9	0	0	0	110.7	I54 I55 L56 G60 N61 I62	I54-I58 HydrophobicContact CG2-CD1 4.28Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 2.87Å; I54-I58 VanDerWaalsContact O-N 3.08Å; I55-I58 PolarHBondContact O-N 2.88Å; L56-I58 VanDerWaalsContact C-N 3.32Å; L56-I58 PolarHBondContact O-N 3.04Å; I58-G60 PolarHBondContact O-N 2.96Å; I58-N61 WeakPolarHBondContact O-CB 3.44Å; I58-N61 PolarHBondContact O-N 2.82Å; I58-I62 HydrophobicContact CG2-CD1 4.23Å; I58-I62 PolarHBondContact O-N 3.06Å
59	A	67.8	Low	66.9	Low	40 Å²	40	70.5 Å²	70.5	33%	0.331	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-42.2	179.2	0	0	0	0	0	111.9	I55 L56 N61 I62 L63	I55-A59 VanDerWaalsContact O-CB 3.3Å; I55-A59 WeakPolarHBondContact O-CB 3.46Å; I55-A59 PolarHBondContact O-N 2.88Å; L56-A59 PolarHBondContact O-N 2.74Å; A59-N61 VanDerWaalsContact C-N 3.31Å; A59-N61 PolarHBondContact O-N 3.35Å; A59-I62 PolarHBondContact O-N 3.33Å; A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 WeakPolarHBondContact O-CD1 3.24Å; A59-L63 WeakPolarHBondContact O-CG 3.19Å; A59-L63 PolarHBondContact O-N 2.92Å
60	G	70.6	Confident	66.6	Low	32 Å²	32	70.8 Å²	70.8	33%	0.33	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-41.1	173.7	0	0	0	0	0	112.2	L56 I58 L63 V64	L56-G60 PolarHBondContact O-N 3.49Å; I58-G60 PolarHBondContact O-N 2.96Å; G60-L63 PolarHBondContact O-N 3.04Å; G60-V64 WeakPolarHBondContact O-CB 3.31Å; G60-V64 WeakPolarHBondContact O-CG2 3.27Å; G60-V64 PolarHBondContact O-N 3.49Å
61	N	68.3	Low	66	Low	73 Å²	73	75.8 Å²	75.8	39%	0.39	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.5	-84	-47.6	0	0	0	112.9	T57 I58 A59 V64 I65	T57-N61 PolarHBondContact O-N 2.92Å; T57-N61 PolarHBondContact O-ND2 3.43Å; I58-N61 WeakPolarHBondContact O-CB 3.44Å; I58-N61 PolarHBondContact O-N 2.82Å; A59-N61 VanDerWaalsContact C-N 3.31Å; A59-N61 PolarHBondContact O-N 3.35Å; N61-V64 PolarHBondContact O-N 3.17Å; N61-I65 WeakPolarHBondContact O-CD1 3.23Å; N61-I65 VanDerWaalsContact O-CG1 3.26Å; N61-I65 WeakPolarHBondContact O-CG1 3.1Å; N61-I65 PolarHBondContact O-N 3.37Å; N61-I65 VanDerWaalsContact O-N 3.13Å
62	I	68.8	Low	65.2	Low	95 Å²	95	83.1 Å²	83.1	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-69.8	-39.5	177.1	-63.9	176.1	0	0	0	110.9	I58 A59 V64 I65 M66	I58-I62 HydrophobicContact CG2-CD1 4.23Å; I58-I62 PolarHBondContact O-N 3.06Å; A59-I62 PolarHBondContact O-N 3.33Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 2.83Å; I62-I65 PolarHBondContact O-N 2.92Å; I62-M66 HydrophobicContact CG2-CE 4.02Å; I62-M66 VanDerWaalsContact O-CB 3.23Å; I62-M66 WeakPolarHBondContact O-CB 3.47Å; I62-M66 PolarHBondContact O-N 2.96Å
63	L	73.2	Confident	64.2	Low	62 Å²	62	88.1 Å²	88.1	33%	0.325	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-37	176.5	-72.8	168.6	0	0	0	111.8	A59 G60 M66 A67	A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 WeakPolarHBondContact O-CD1 3.24Å; A59-L63 WeakPolarHBondContact O-CG 3.19Å; A59-L63 PolarHBondContact O-N 2.92Å; G60-L63 PolarHBondContact O-N 3.04Å; L63-M66 PolarHBondContact O-N 3.46Å; L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 3.45Å
64	V	66.1	Low	63.6	Low	89 Å²	89	91.7 Å²	91.7	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-43.3	175.4	167.4	0	0	0	0	111.3	G60 N61 I62 A67 V68	G60-V64 WeakPolarHBondContact O-CB 3.31Å; G60-V64 WeakPolarHBondContact O-CG2 3.27Å; G60-V64 PolarHBondContact O-N 3.49Å; N61-V64 PolarHBondContact O-N 3.17Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 2.83Å; V64-A67 PolarHBondContact O-N 2.86Å; V64-V68 WeakPolarHBondContact O-CB 3.19Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 2.94Å
65	I	68.1	Low	62.8	Low	110 Å²	110	97.6 Å²	97.6	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-68.1	-39.5	178.1	-64.8	161.9	0	0	0	111	N61 I62 V68 S69	N61-I65 WeakPolarHBondContact O-CD1 3.23Å; N61-I65 VanDerWaalsContact O-CG1 3.26Å; N61-I65 WeakPolarHBondContact O-CG1 3.1Å; N61-I65 PolarHBondContact O-N 3.37Å; N61-I65 VanDerWaalsContact O-N 3.13Å; I62-I65 PolarHBondContact O-N 2.92Å; I65-V68 PolarHBondContact O-N 2.86Å; I65-S69 PolarHBondContact O-N 3Å; I65-S69 PolarHBondContact O-OG 2.96Å
66	M	61.9	Low	62.2	Low	118 Å²	118	96.7 Å²	96.7	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-37	176.8	-159.2	-176.6	-62.1	0	0	111.3	I62 L63 S69 L70	I62-M66 HydrophobicContact CG2-CE 4.02Å; I62-M66 VanDerWaalsContact O-CB 3.23Å; I62-M66 WeakPolarHBondContact O-CB 3.47Å; I62-M66 PolarHBondContact O-N 2.96Å; L63-M66 PolarHBondContact O-N 3.46Å; M66-S69 PolarHBondContact O-N 3.37Å; M66-L70 PolarHBondContact O-N 2.86Å
67	A	65.6	Low	61.4	Low	26 Å²	26	95.1 Å²	95.1	22%	0.215	51%	0.51	C	S	.	.	H	α-helix	trans	-67.2	-41.1	173.2	0	0	0	0	0	112.2	L63 V64 S69 L70 E71	L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 3.45Å; V64-A67 PolarHBondContact O-N 2.86Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.45Å; A67-L70 WeakPolarHBondContact O-CA 3.26Å; A67-L70 WeakPolarHBondContact O-CB 3.5Å; A67-L70 PolarHBondContact O-N 3.42Å; A67-E71 PolarHBondContact O-N 3.04Å
68	V	60.4	Low	61.2	Low	92 Å²	92	95.6 Å²	95.6	56%	0.558	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-36.7	175.3	160.5	0	0	0	0	112	V64 I65 L70 E71	V64-V68 WeakPolarHBondContact O-CB 3.19Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 2.94Å; I65-V68 PolarHBondContact O-N 2.86Å; V68-L70 PolarHBondContact O-N 3.31Å; V68-E71 WeakPolarHBondContact O-CB 3.23Å; V68-E71 PolarHBondContact O-N 3.46Å
69	S	57	Low	60.9	Low	93 Å²	93	96.4 Å²	96.4	65%	0.65	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-19.2	172.6	-59.1	0	0	0	0	112.6	I65 M66 A67	I65-S69 PolarHBondContact O-N 3Å; I65-S69 PolarHBondContact O-OG 2.96Å; M66-S69 PolarHBondContact O-N 3.37Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.45Å
70	L	60.3	Low	60.6	Low	48 Å²	48	100.7 Å²	100.7	25%	0.251	53%	0.527	S	S	.	.	H	α-helix	trans	-87.7	-18.7	-177.4	-152.6	63.9	0	0	0	113	M66 A67 V68 K72 K73 A77 Y80	M66-L70 PolarHBondContact O-N 2.86Å; A67-L70 WeakPolarHBondContact O-CA 3.26Å; A67-L70 WeakPolarHBondContact O-CB 3.5Å; A67-L70 PolarHBondContact O-N 3.42Å; V68-L70 PolarHBondContact O-N 3.31Å; L70-K72 PolarHBondContact O-N 2.93Å; L70-K73 PolarHBondContact O-N 3.03Å; L70-A77 HydrophobicContact CB-CB 4.18Å; L70-A77 HydrophobicContact CD2-CB 4.18Å; L70-A77 HydrophobicContact CG-CB 3.84Å; L70-A77 VanDerWaalsContact O-CB 3.29Å; L70-A77 WeakPolarHBondContact O-CB 3.38Å; L70-Y80 HydrophobicContact CD2-CD2 3.82Å; L70-Y80 HydrophobicContact CD2-CG 3.73Å
71	E	50.3	Low	60.1	Low	143 Å²	143	105 Å²	105	67%	0.668	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-59.2	-20.7	-177.4	-166.4	136.4	70.1	0	0	113.6	A67 V68 K73	A67-E71 PolarHBondContact O-N 3.04Å; V68-E71 WeakPolarHBondContact O-CB 3.23Å; V68-E71 PolarHBondContact O-N 3.46Å; E71-K73 PolarHBondContact O-N 3.23Å
72	K	52.9	Low	60.2	Low	203 Å²	203	106.5 Å²	106.5	88%	0.883	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-84.4	0.8	177.2	-67.1	-168.2	168.4	-173.9	0	115.5	L70	L70-K72 PolarHBondContact O-N 2.93Å
73	K	49.1	Very low	59.9	Low	155 Å²	155	107.1 Å²	107.1	67%	0.674	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-120.5	36.5	-178.5	-152.9	-179	174.5	168.8	0	113.5	L70 E71 Q75 N76	L70-K73 PolarHBondContact O-N 3.03Å; E71-K73 PolarHBondContact O-N 3.23Å; K73-Q75 VanDerWaalsContact C-N 3.3Å; K73-Q75 PolarHBondContact O-N 3.39Å; K73-N76 PolarHBondContact O-N 3.42Å
74	L	52.8	Low	59.8	Low	153 Å²	153	105.4 Å²	105.4	80%	0.801	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	15.3	-6.5	166.8	-132.4	91.8	0	0	0	125.2
75	Q	54.9	Low	60	Low	177 Å²	177	105.2 Å²	105.2	83%	0.827	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	-29.5	173.6	-89.9	-180	-14	0	0	113.6	K73	K73-Q75 VanDerWaalsContact C-N 3.3Å; K73-Q75 PolarHBondContact O-N 3.39Å
76	N	54.3	Low	60.3	Low	94 Å²	94	102.2 Å²	102.2	50%	0.503	53%	0.527	S	S	.	.	S	Bend	trans	-82.9	-22.7	175.1	-80.6	-12	0	0	0	112.6	K73 N79 Y80	K73-N76 PolarHBondContact O-N 3.42Å; N76-N79 PolarHBondContact O-N 3.08Å; N76-Y80 VanDerWaalsContact O-CD2 3.26Å; N76-Y80 WeakPolarHBondContact O-CD2 3.08Å; N76-Y80 PolarHBondContact O-N 2.68Å
77	A	53.5	Low	60.7	Low	16 Å²	16	100 Å²	100	13%	0.132	52%	0.516	C	S	.	.	H	α-helix	trans	-66.9	-44.1	-171.8	0	0	0	0	0	114.4	L70 N79 Y80 F81	L70-A77 HydrophobicContact CB-CB 4.18Å; L70-A77 HydrophobicContact CD2-CB 4.18Å; L70-A77 HydrophobicContact CG-CB 3.84Å; L70-A77 VanDerWaalsContact O-CB 3.29Å; L70-A77 WeakPolarHBondContact O-CB 3.38Å; A77-N79 PolarHBondContact O-N 3.19Å; A77-Y80 PolarHBondContact O-N 2.95Å; A77-Y80 VanDerWaalsContact O-N 3.16Å; A77-F81 WeakPolarHBondContact O-CB 3.44Å; A77-F81 PolarHBondContact O-N 3.44Å
78	T	59.7	Low	61	Low	93 Å²	93	101.3 Å²	101.3	57%	0.571	53%	0.528	S	S	*	.	H	α-helix	trans	-62.1	-33	179.1	-49.2	0	0	0	0	112.2	F81 L82	T78-F81 PolarHBondContact O-N 3.46Å; T78-L82 HydrophobicContact CG2-CD1 4.49Å; T78-L82 WeakPolarHBondContact O-CG 3.34Å; T78-L82 PolarHBondContact O-N 3.5Å; T78-L82 VanDerWaalsContact O-N 3.08Å
79	N	62.9	Low	61.7	Low	112 Å²	112	101.1 Å²	101.1	60%	0.599	52%	0.523	S	S	*	.	H	α-helix	trans	-68.6	-41.7	176.3	-163.7	13.1	0	0	0	111.7	N76 A77 F81 M83	N76-N79 PolarHBondContact O-N 3.08Å; A77-N79 PolarHBondContact O-N 3.19Å; N79-F81 VanDerWaalsContact C-N 3.33Å; N79-F81 PolarHBondContact O-N 3.47Å; N79-M83 VanDerWaalsContact O-CB 3.23Å; N79-M83 WeakPolarHBondContact O-CB 3.34Å; N79-M83 PolarHBondContact O-N 2.98Å
80	Y	62.3	Low	62.2	Low	131 Å²	131	103.9 Å²	103.9	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-70.9	-27.5	174.9	-82.9	-80.6	0	0	0	113.6	L70 N76 A77 S84	L70-Y80 HydrophobicContact CD2-CD2 3.82Å; L70-Y80 HydrophobicContact CD2-CG 3.73Å; N76-Y80 VanDerWaalsContact O-CD2 3.26Å; N76-Y80 WeakPolarHBondContact O-CD2 3.08Å; N76-Y80 PolarHBondContact O-N 2.68Å; A77-Y80 PolarHBondContact O-N 2.95Å; A77-Y80 VanDerWaalsContact O-N 3.16Å; Y80-S84 WeakPolarHBondContact O-CB 3.41Å; Y80-S84 PolarHBondContact O-N 2.84Å; Y80-S84 PolarHBondContact O-OG 2.7Å
81	F	60.1	Low	62.8	Low	123 Å²	123	105 Å²	105	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-72	-48.3	176.9	-175.6	-102	0	0	0	111.8	A77 T78 N79 M83 S84 L85	A77-F81 WeakPolarHBondContact O-CB 3.44Å; A77-F81 PolarHBondContact O-N 3.44Å; T78-F81 PolarHBondContact O-N 3.46Å; N79-F81 VanDerWaalsContact C-N 3.33Å; N79-F81 PolarHBondContact O-N 3.47Å; F81-M83 VanDerWaalsContact C-N 3.27Å; F81-M83 PolarHBondContact O-N 3.23Å; F81-S84 PolarHBondContact O-N 3.34Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.11Å
82	L	69.6	Low	63.7	Low	104 Å²	104	103.8 Å²	103.8	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-35.3	173.6	-70.9	172.1	0	0	0	111.8	T78 A86	T78-L82 HydrophobicContact CG2-CD1 4.49Å; T78-L82 WeakPolarHBondContact O-CG 3.34Å; T78-L82 PolarHBondContact O-N 3.5Å; T78-L82 VanDerWaalsContact O-N 3.08Å; L82-A86 VanDerWaalsContact O-CB 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.21Å; L82-A86 PolarHBondContact O-N 2.9Å
83	M	62.9	Low	64.5	Low	107 Å²	107	95.8 Å²	95.8	53%	0.527	51%	0.507	S	S	.	.	H	α-helix	trans	-67	-40	173.9	-170.9	179.8	-169.7	0	0	112.2	N79 F81 A86 I87	N79-M83 VanDerWaalsContact O-CB 3.23Å; N79-M83 WeakPolarHBondContact O-CB 3.34Å; N79-M83 PolarHBondContact O-N 2.98Å; F81-M83 VanDerWaalsContact C-N 3.27Å; F81-M83 PolarHBondContact O-N 3.23Å; M83-A86 PolarHBondContact O-N 3.29Å; M83-I87 HydrophobicContact CG-CD1 3.99Å; M83-I87 WeakPolarHBondContact O-CB 3.44Å; M83-I87 VanDerWaalsContact O-CD1 3.27Å; M83-I87 WeakPolarHBondContact O-CD1 3.08Å; M83-I87 WeakPolarHBondContact O-CG1 3.23Å; M83-I87 PolarHBondContact O-N 2.9Å
84	S	71.8	Confident	65.4	Low	27 Å²	27	96.3 Å²	96.3	19%	0.189	51%	0.509	C	S	.	.	H	α-helix	trans	-71	-34.9	176.9	-58.9	0	0	0	0	112.2	Y80 F81 I87 A88	Y80-S84 WeakPolarHBondContact O-CB 3.41Å; Y80-S84 PolarHBondContact O-N 2.84Å; Y80-S84 PolarHBondContact O-OG 2.7Å; F81-S84 PolarHBondContact O-N 3.34Å; S84-I87 PolarHBondContact O-N 3.5Å; S84-A88 WeakPolarHBondContact O-CB 3.3Å; S84-A88 PolarHBondContact O-N 3.03Å
85	L	70.3	Confident	66	Low	84 Å²	84	91.1 Å²	91.1	44%	0.44	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-48.5	170.9	-173.6	60.6	0	0	0	110.2	F81 I87 A88 D89	F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.11Å; L85-I87 VanDerWaalsContact C-N 3.27Å; L85-I87 PolarHBondContact O-N 3.07Å; L85-A88 WeakPolarHBondContact O-CB 3.48Å; L85-A88 PolarHBondContact O-N 3.24Å; L85-A88 VanDerWaalsContact O-N 3.12Å; L85-D89 WeakPolarHBondContact O-CB 3.3Å; L85-D89 VanDerWaalsContact O-CG 3.31Å; L85-D89 PolarHBondContact O-N 3.41Å
86	A	73.4	Confident	66.8	Low	48 Å²	48	87 Å²	87	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-60.8	-34.3	174	0	0	0	0	0	113.2	L82 M83 M90	L82-A86 VanDerWaalsContact O-CB 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.21Å; L82-A86 PolarHBondContact O-N 2.9Å; M83-A86 PolarHBondContact O-N 3.29Å; A86-M90 VanDerWaalsContact O-CB 3.24Å; A86-M90 WeakPolarHBondContact O-CB 3.34Å; A86-M90 WeakPolarHBondContact O-CG 3.4Å; A86-M90 PolarHBondContact O-N 3.3Å
87	I	70.2	Confident	67.6	Low	70 Å²	70	89.8 Å²	89.8	36%	0.359	48%	0.48	S	S	.	.	H	α-helix	trans	-70.7	-41.2	175.6	-71.1	160.4	0	0	0	110.5	M83 S84 L85 D89 L91	M83-I87 HydrophobicContact CG-CD1 3.99Å; M83-I87 WeakPolarHBondContact O-CB 3.44Å; M83-I87 VanDerWaalsContact O-CD1 3.27Å; M83-I87 WeakPolarHBondContact O-CD1 3.08Å; M83-I87 WeakPolarHBondContact O-CG1 3.23Å; M83-I87 PolarHBondContact O-N 2.9Å; S84-I87 PolarHBondContact O-N 3.5Å; L85-I87 VanDerWaalsContact C-N 3.27Å; L85-I87 PolarHBondContact O-N 3.07Å; I87-D89 VanDerWaalsContact C-N 3.33Å; I87-L91 HydrophobicContact CG2-CD1 3.75Å; I87-L91 WeakPolarHBondContact O-CB 3.3Å; I87-L91 VanDerWaalsContact O-CD1 3.23Å; I87-L91 WeakPolarHBondContact O-CD1 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.4Å; I87-L91 PolarHBondContact O-N 3.23Å
88	A	71.8	Confident	67.8	Low	55 Å²	55	91.4 Å²	91.4	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-40.8	173.3	0	0	0	0	0	111.7	S84 L85 L91 L92	S84-A88 WeakPolarHBondContact O-CB 3.3Å; S84-A88 PolarHBondContact O-N 3.03Å; L85-A88 WeakPolarHBondContact O-CB 3.48Å; L85-A88 PolarHBondContact O-N 3.24Å; L85-A88 VanDerWaalsContact O-N 3.12Å; A88-L91 PolarHBondContact O-N 3.49Å; A88-L92 WeakPolarHBondContact O-CB 3Å; A88-L92 PolarHBondContact O-N 3Å
89	D	74.8	Confident	68.1	Low	88 Å²	88	89.3 Å²	89.3	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-73.7	-36.1	179.6	-70.1	-51.5	0	0	0	112.6	L85 I87 L92 G93	L85-D89 WeakPolarHBondContact O-CB 3.3Å; L85-D89 VanDerWaalsContact O-CG 3.31Å; L85-D89 PolarHBondContact O-N 3.41Å; I87-D89 VanDerWaalsContact C-N 3.33Å; D89-L92 PolarHBondContact O-N 3Å; D89-G93 PolarHBondContact O-N 3.49Å
90	M	68.4	Low	68.6	Low	150 Å²	150	86.8 Å²	86.8	74%	0.739	47%	0.468	S	S	*	.	H	α-helix	trans	-66.4	-35.8	170.2	-77.8	-85.2	167.4	0	0	111.7	A86 G93 F94	A86-M90 VanDerWaalsContact O-CB 3.24Å; A86-M90 WeakPolarHBondContact O-CB 3.34Å; A86-M90 WeakPolarHBondContact O-CG 3.4Å; A86-M90 PolarHBondContact O-N 3.3Å; M90-G93 PolarHBondContact O-N 3.07Å; M90-F94 WeakPolarHBondContact O-CB 3.27Å; M90-F94 PolarHBondContact O-N 3.35Å
91	L	73.1	Confident	68.8	Low	71 Å²	71	87.1 Å²	87.1	37%	0.372	48%	0.476	S	S	.	.	H	α-helix	trans	-69.9	-36.9	175.1	-70.7	162.3	0	0	0	111.7	L56 I87 A88 L95	L56-L91 HydrophobicContact CD1-CB 4.46Å; L56-L91 HydrophobicContact CD2-CB 4.04Å; L56-L91 HydrophobicContact CD2-CD1 3.54Å; L56-L91 HydrophobicContact CD2-CD2 3.95Å; L56-L91 HydrophobicContact CD2-CG 4.02Å; I87-L91 HydrophobicContact CG2-CD1 3.75Å; I87-L91 WeakPolarHBondContact O-CB 3.3Å; I87-L91 VanDerWaalsContact O-CD1 3.23Å; I87-L91 WeakPolarHBondContact O-CD1 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.4Å; I87-L91 PolarHBondContact O-N 3.23Å; A88-L91 PolarHBondContact O-N 3.49Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.92Å
92	L	68.1	Low	69.1	Low	118 Å²	118	82.2 Å²	82.2	62%	0.618	46%	0.455	S	S	*	.	H	α-helix	trans	-65.4	-44.3	171.4	-176.9	60.9	0	0	0	111.5	A88 D89 L95 V96	A88-L92 WeakPolarHBondContact O-CB 3Å; A88-L92 PolarHBondContact O-N 3Å; D89-L92 PolarHBondContact O-N 3Å; L92-L95 PolarHBondContact O-N 3.32Å; L92-V96 WeakPolarHBondContact O-CB 3.46Å; L92-V96 PolarHBondContact O-N 3.36Å
93	G	70.6	Confident	68.8	Low	36 Å²	36	81.5 Å²	81.5	37%	0.371	46%	0.455	S	S	.	.	H	α-helix	trans	-70	-34.8	178.8	0	0	0	0	0	114.5	D89 M90 L95 V96	D89-G93 PolarHBondContact O-N 3.49Å; M90-G93 PolarHBondContact O-N 3.07Å; G93-L95 VanDerWaalsContact C-N 3.31Å; G93-L95 PolarHBondContact O-N 2.82Å; G93-V96 WeakPolarHBondContact O-CG1 3.14Å
94	F	67.3	Low	69.1	Low	166 Å²	166	81.5 Å²	81.5	73%	0.728	46%	0.456	S	S	*	.	H	α-helix	trans	-73.9	-23.7	177.8	-165	-97.9	0	0	0	112.6	M90 P98	M90-F94 WeakPolarHBondContact O-CB 3.27Å; M90-F94 PolarHBondContact O-N 3.35Å; F94-P98 WeakPolarHBondContact O-CD 3.45Å; F94-P98 WeakPolarHBondContact O-CG 3.23Å
95	L	66.8	Low	68.7	Low	43 Å²	43	85.3 Å²	85.3	23%	0.225	47%	0.474	C	S	.	.	H	α-helix	trans	-88.2	-35.2	173.3	-67.4	174.6	0	0	0	112.4	V52 L56 L91 L92 G93 M97 P98 V99	V52-L95 HydrophobicContact CG1-CD1 3.91Å; V52-L95 HydrophobicContact CG1-CD2 4.01Å; L56-L95 HydrophobicContact CD1-CD1 3.52Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.92Å; L92-L95 PolarHBondContact O-N 3.32Å; G93-L95 VanDerWaalsContact C-N 3.31Å; G93-L95 PolarHBondContact O-N 2.82Å; L95-M97 VanDerWaalsContact C-N 3.31Å; L95-M97 PolarHBondContact O-N 3.15Å; L95-P98 WeakPolarHBondContact O-CD 3.35Å; L95-P98 WeakPolarHBondContact O-CG 3.43Å; L95-V99 WeakPolarHBondContact O-CB 3.35Å; L95-V99 WeakPolarHBondContact O-CG2 3.2Å; L95-V99 PolarHBondContact O-N 3.37Å
96	V	71.2	Confident	68.4	Low	90 Å²	90	87.1 Å²	87.1	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-35.9	-176.3	84.4	0	0	0	0	112.7	L92 G93 S100	L92-V96 WeakPolarHBondContact O-CB 3.46Å; L92-V96 PolarHBondContact O-N 3.36Å; G93-V96 WeakPolarHBondContact O-CG1 3.14Å; V96-S100 WeakPolarHBondContact O-CB 3.05Å; V96-S100 PolarHBondContact O-N 3.4Å
97	M	69.8	Low	67.8	Low	153 Å²	153	87.6 Å²	87.6	75%	0.754	49%	0.486	S	S	*	.	H	α-helix	trans	-69.3	-55.8	178.6	-92	-136.4	-174.9	0	0	114.3	L95 S100 M101	L95-M97 VanDerWaalsContact C-N 3.31Å; L95-M97 PolarHBondContact O-N 3.15Å; M97-S100 PolarHBondContact O-N 3.27Å; M97-M101 PolarHBondContact O-N 3.31Å; M97-M101 VanDerWaalsContact O-N 3.07Å
98	P	59.1	Low	67.1	Low	51 Å²	51	91.8 Å²	91.8	33%	0.331	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-45.8	177.2	22.3	-30.8	0	0	0	110.3	F94 L95 S100 M101 L102	F94-P98 WeakPolarHBondContact O-CD 3.45Å; F94-P98 WeakPolarHBondContact O-CG 3.23Å; L95-P98 WeakPolarHBondContact O-CD 3.35Å; L95-P98 WeakPolarHBondContact O-CG 3.43Å; P98-S100 VanDerWaalsContact C-N 3.3Å; P98-S100 PolarHBondContact O-N 3.15Å; P98-M101 WeakPolarHBondContact O-CA 3.32Å; P98-M101 WeakPolarHBondContact O-CB 3.45Å; P98-M101 PolarHBondContact O-N 2.95Å; P98-L102 VanDerWaalsContact C-CD1 3.49Å; P98-L102 HydrophobicContact CB-CD1 4.47Å; P98-L102 WeakPolarHBondContact O-CD1 3.06Å; P98-L102 WeakPolarHBondContact O-CG 2.94Å; P98-L102 PolarHBondContact O-N 3.43Å
99	V	66.3	Low	66.4	Low	49 Å²	49	100.3 Å²	100.3	30%	0.297	52%	0.524	S	S	.	.	H	α-helix	trans	-54.1	-46.5	178.1	171.4	0	0	0	0	111.3	L49 L95 M101 L102 T103	L49-V99 HydrophobicContact CD1-CG2 4.05Å; L49-V99 HydrophobicContact CD2-CG2 3.64Å; L95-V99 WeakPolarHBondContact O-CB 3.35Å; L95-V99 WeakPolarHBondContact O-CG2 3.2Å; L95-V99 PolarHBondContact O-N 3.37Å; V99-M101 PolarHBondContact O-N 3.22Å; V99-L102 PolarHBondContact O-N 3.04Å; V99-T103 HydrophobicContact CG1-CG2 4.42Å; V99-T103 WeakPolarHBondContact O-CG2 3.11Å; V99-T103 PolarHBondContact O-N 3.11Å; V99-T103 PolarHBondContact O-OG1 3.39Å; V99-T103 VanDerWaalsContact O-OG1 3.11Å
100	S	72	Confident	64.9	Low	58 Å²	58	108 Å²	108	41%	0.406	56%	0.557	S	S	.	*	H	α-helix	trans	-58.7	-47.6	175.3	-177.6	0	0	0	0	111.9	V96 M97 P98 L102 T103 I104	V96-S100 WeakPolarHBondContact O-CB 3.05Å; V96-S100 PolarHBondContact O-N 3.4Å; M97-S100 PolarHBondContact O-N 3.27Å; P98-S100 VanDerWaalsContact C-N 3.3Å; P98-S100 PolarHBondContact O-N 3.15Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 3.43Å; S100-T103 VanDerWaalsContact CA-OG1 3.3Å; S100-T103 WeakPolarHBondContact CA-OG1 3.4Å; S100-T103 PolarHBondContact O-N 3.19Å; S100-T103 PolarHBondContact O-OG1 2.84Å; S100-I104 WeakPolarHBondContact O-CD1 3.3Å; S100-I104 VanDerWaalsContact O-CG1 3.27Å; S100-I104 WeakPolarHBondContact O-CG1 3.28Å; S100-I104 PolarHBondContact O-N 3.3Å
101	M	66.4	Low	64.7	Low	138 Å²	138	105.9 Å²	105.9	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-59.8	-36.7	177.2	-169.8	-171.3	-176.2	0	0	112.6	M97 P98 V99 I104 L105	M97-M101 PolarHBondContact O-N 3.31Å; M97-M101 VanDerWaalsContact O-N 3.07Å; P98-M101 WeakPolarHBondContact O-CA 3.32Å; P98-M101 WeakPolarHBondContact O-CB 3.45Å; P98-M101 PolarHBondContact O-N 2.95Å; V99-M101 PolarHBondContact O-N 3.22Å; M101-I104 PolarHBondContact O-N 2.92Å; M101-L105 VanDerWaalsContact O-CB 3.27Å; M101-L105 WeakPolarHBondContact O-CB 3.27Å; M101-L105 PolarHBondContact O-N 3.22Å
102	L	66.7	Low	64.3	Low	20 Å²	20	107.7 Å²	107.7	11%	0.105	56%	0.557	C	S	.	*	H	α-helix	trans	-76.2	-37.6	178.2	-65	135.3	0	0	0	112.3	W45 P98 V99 S100 I104 L105 Y106	W45-L102 HydrophobicContact CD2-CD1 3.98Å; W45-L102 HydrophobicContact CD2-CD2 3.43Å; W45-L102 VanDerWaalsContact CD2-CD2 3.43Å; W45-L102 HydrophobicContact CD2-CG 4.24Å; W45-L102 HydrophobicContact CE3-CD1 4.49Å; W45-L102 HydrophobicContact CE3-CD2 3.46Å; W45-L102 VanDerWaalsContact CE3-CD2 3.46Å; W45-L102 HydrophobicContact CG-CD2 4.2Å; W45-L102 HydrophobicContact CH2-CD1 3.47Å; W45-L102 VanDerWaalsContact CH2-CD1 3.47Å; W45-L102 HydrophobicContact CH2-CD2 3.63Å; W45-L102 HydrophobicContact CH2-CG 4.07Å; W45-L102 HydrophobicContact CZ2-CD1 2.86Å; W45-L102 HydrophobicContact CZ2-CD2 3.7Å; W45-L102 HydrophobicContact CZ2-CG 3.82Å; W45-L102 HydrophobicContact CZ3-CD1 4.25Å; W45-L102 HydrophobicContact CZ3-CD2 3.52Å; W45-L102 HydrophobicContact CZ3-CG 4.44Å; W45-L102 VanDerWaalsContact NE1-CD1 3.35Å; P98-L102 VanDerWaalsContact C-CD1 3.49Å; P98-L102 HydrophobicContact CB-CD1 4.47Å; P98-L102 WeakPolarHBondContact O-CD1 3.06Å; P98-L102 WeakPolarHBondContact O-CG 2.94Å; P98-L102 PolarHBondContact O-N 3.43Å; V99-L102 PolarHBondContact O-N 3.04Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 3.43Å; L102-I104 PolarHBondContact O-N 3.34Å; L102-L105 PolarHBondContact O-N 3.23Å; L102-Y106 HydrophobicContact CB-CD2 4.15Å; L102-Y106 HydrophobicContact CB-CE2 4.25Å; L102-Y106 HydrophobicContact CD2-CD2 4.5Å; L102-Y106 HydrophobicContact CD2-CE2 3.79Å; L102-Y106 WeakPolarHBondContact O-CB 3.46Å; L102-Y106 WeakPolarHBondContact O-CD2 3.46Å; L102-Y106 PolarHBondContact O-N 2.67Å
103	T	63	Low	64.1	Low	89 Å²	89	107.2 Å²	107.2	55%	0.546	55%	0.553	S	S	.	*	H	α-helix	trans	-61.8	-33.3	174.3	48.6	0	0	0	0	111.5	V99 S100 G107	V99-T103 HydrophobicContact CG1-CG2 4.42Å; V99-T103 WeakPolarHBondContact O-CG2 3.11Å; V99-T103 PolarHBondContact O-N 3.11Å; V99-T103 PolarHBondContact O-OG1 3.39Å; V99-T103 VanDerWaalsContact O-OG1 3.11Å; S100-T103 VanDerWaalsContact CA-OG1 3.3Å; S100-T103 WeakPolarHBondContact CA-OG1 3.4Å; S100-T103 PolarHBondContact O-N 3.19Å; S100-T103 PolarHBondContact O-OG1 2.84Å; T103-G107 PolarHBondContact O-N 3.06Å; T103-G107 VanDerWaalsContact O-N 3.07Å
104	I	70.4	Confident	63.7	Low	108 Å²	108	111.4 Å²	111.4	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-74.2	-47.6	174.9	-64.4	164.2	0	0	0	110.4	S100 M101 L102 Y106 G107 E108	S100-I104 WeakPolarHBondContact O-CD1 3.3Å; S100-I104 VanDerWaalsContact O-CG1 3.27Å; S100-I104 WeakPolarHBondContact O-CG1 3.28Å; S100-I104 PolarHBondContact O-N 3.3Å; M101-I104 PolarHBondContact O-N 2.92Å; L102-I104 PolarHBondContact O-N 3.34Å; I104-Y106 VanDerWaalsContact C-N 3.35Å; I104-Y106 PolarHBondContact O-N 2.82Å; I104-G107 PolarHBondContact O-N 3.41Å; I104-E108 PolarHBondContact O-N 3.12Å
105	L	63.5	Low	63.5	Low	106 Å²	106	107.9 Å²	107.9	56%	0.555	55%	0.554	S	S	*	*	H	α-helix	trans	-66	-31.6	-178.8	-172.8	65.4	0	0	0	113.7	M101 L102	M101-L105 VanDerWaalsContact O-CB 3.27Å; M101-L105 WeakPolarHBondContact O-CB 3.27Å; M101-L105 PolarHBondContact O-N 3.22Å; L102-L105 PolarHBondContact O-N 3.23Å
106	Y	64.4	Low	63.3	Low	122 Å²	122	112.3 Å²	112.3	48%	0.478	58%	0.576	S	S	.	*	H	α-helix	trans	-86.1	-14.4	171.9	-71.3	-67.7	0	0	0	113.2	K43 L102 I104	K43-Y106 HydrophobicContact CD-CE1 3.96Å; K43-Y106 PolarHBondContact NZ-OH 3.39Å; L102-Y106 HydrophobicContact CB-CD2 4.15Å; L102-Y106 HydrophobicContact CB-CE2 4.25Å; L102-Y106 HydrophobicContact CD2-CD2 4.5Å; L102-Y106 HydrophobicContact CD2-CE2 3.79Å; L102-Y106 WeakPolarHBondContact O-CB 3.46Å; L102-Y106 WeakPolarHBondContact O-CD2 3.46Å; L102-Y106 PolarHBondContact O-N 2.67Å; I104-Y106 VanDerWaalsContact C-N 3.35Å; I104-Y106 PolarHBondContact O-N 2.82Å
107	G	59.6	Low	62.7	Low	59 Å²	59	113.9 Å²	113.9	61%	0.608	58%	0.578	S	S	*	*	H	α-helix	trans	-84.5	-14.6	175.2	0	0	0	0	0	114.4	T103 I104	T103-G107 PolarHBondContact O-N 3.06Å; T103-G107 VanDerWaalsContact O-N 3.07Å; I104-G107 PolarHBondContact O-N 3.41Å
108	E	56.6	Low	62.1	Low	158 Å²	158	110.8 Å²	110.8	74%	0.738	56%	0.564	S	S	*	*	S	Bend	trans	-96.2	26.6	-179.6	-89.4	-116.7	123	0	0	114	I104	I104-E108 PolarHBondContact O-N 3.12Å
109	W	55.5	Low	62.4	Low	234 Å²	234	115.8 Å²	115.8	89%	0.886	58%	0.584	S	S	*	*			trans	-121.8	58.9	165.7	-79	102.1	0	0	0	111.1
110	H	44.5	Very low	62.1	Low	249 Å²	249	121.9 Å²	121.9	100%	1.153	61%	0.61	S	S	*	*			trans	-147.6	0	149.6	-154.2	-66.9	0	0	0	111.3

Retrieved 110 of 110 residues in 247.1 ms (Link to these results)

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