A0A087XVU4_POEFO Loading...

5-demethoxyubiquinone hydroxylase, mitochondrial

Catalyzes the hydroxylation of 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2) during ubiquinone biosynthesis. Has also a structural role in the COQ enzyme complex, stabilizing other COQ polypeptides. Involved in lifespan determination in a ubiquinone-independent manner.

AlphaFold DB , UniProt , Accession A0A087XVU4, Species POEFO (Poecilia formosa, Amazon molly), Gene COQ7, Length 221 aa.

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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	41.9	Very low	36.9	Very low	250 Å²	250	145.5 Å²	145.5	100%	1.232	78%	0.783	S	S	*	*				0	125.6	0	-82.3	164.9	133.2	0	0	108.2
2	H	36.3	Very low	36.7	Very low	161 Å²	161	153.4 Å²	153.4	75%	0.745	79%	0.793	S	S	*	*			trans	-9.4	123.6	172.2	-81.7	-42.8	0	0	0	119.4
3	R	37	Very low	37.1	Very low	228 Å²	228	150 Å²	150	86%	0.86	79%	0.787	S	S	*	*				79	144.8	91.8	-89.2	-174.1	174.6	-172.9	-2.5	110.8
4	A	40.8	Very low	37.1	Very low	87 Å²	87	151.4 Å²	151.4	72%	0.719	79%	0.787	S	S	*	*			cis	-169.9	-179.7	-5.6	0	0	0	0	0	103.4
5	A	41.3	Very low	37	Very low	78 Å²	78	154.4 Å²	154.4	65%	0.645	79%	0.792	S	S	*	*			cis	-166.3	134.5	22	0	0	0	0	0	106.3
6	H	37.8	Very low	37.3	Very low	165 Å²	165	151.7 Å²	151.7	76%	0.764	78%	0.784	S	S	*	*				67.2	104.1	102.4	-77.2	-74.2	0	0	0	114.8
7	T	37.3	Very low	37.6	Very low	119 Å²	119	156.6 Å²	156.6	73%	0.73	79%	0.791	S	S	*	*				61.9	128.3	91.9	59.8	0	0	0	0	112.1
8	A	38	Very low	37.9	Very low	78 Å²	78	154.8 Å²	154.8	65%	0.645	79%	0.791	S	S	*	*				174	132.7	66.4	0	0	0	0	0	106.9
9	F	33.5	Very low	38.2	Very low	193 Å²	193	151.7 Å²	151.7	85%	0.846	79%	0.792	S	S	*	*				94.1	143.8	99.5	-96.3	-87.1	0	0	0	116.9
10	C	30.5	Very low	38.3	Very low	91 Å²	91	153.8 Å²	153.8	62%	0.615	80%	0.8	S	S	*	*			trans	92.1	108.9	147.3	-74.8	0	0	0	0	121.2
11	D	31.5	Very low	38.7	Very low	151 Å²	151	153.3 Å²	153.3	81%	0.807	80%	0.797	S	S	*	*				87.6	126.2	116.8	-59	-23.1	0	0	0	122.6
12	W	34.7	Very low	39	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.909	78%	0.779	S	S	*	*			trans	-60	159.9	167.3	-123	-31.3	0	0	0	112.2
13	P	41.6	Very low	39.3	Very low	109 Å²	109	153.6 Å²	153.6	71%	0.708	79%	0.786	S	S	*	*				-155.8	164.4	71.9	36.7	-14	0	0	0	118.5
14	Q	37.5	Very low	40	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	78%	0.777	S	S	*	*			trans	32.4	127.6	144.3	-59.8	-179.4	-8.3	0	0	121.2
15	F	35.8	Very low	40.2	Very low	196 Å²	196	150.9 Å²	150.9	86%	0.86	78%	0.783	S	S	*	*				-168.7	115	125.3	-125.9	-108.9	0	0	0	113.8
16	V	41.7	Very low	40.4	Very low	111 Å²	111	155.6 Å²	155.6	67%	0.673	79%	0.789	S	S	*	*			trans	47.2	120.5	131.8	-161.8	0	0	0	0	120.8
17	R	41.4	Very low	40.4	Very low	235 Å²	235	153.8 Å²	153.8	89%	0.887	79%	0.793	S	S	*	*			trans	-69.6	152.5	160.1	-71.2	-176.8	174.4	-147	-0.9	111.2
18	P	43.3	Very low	41.2	Very low	124 Å²	124	154.4 Å²	154.4	81%	0.805	80%	0.797	S	S	*	*				-132.3	146	122.3	18.4	0.9	0	0	0	113.4
19	A	44.7	Very low	41.3	Very low	97 Å²	97	153.6 Å²	153.6	80%	0.802	80%	0.796	S	S	*	*			trans	-65	137.6	167.1	0	0	0	0	0	110.3
20	M	40.2	Very low	41.6	Very low	193 Å²	193	150.1 Å²	150.1	95%	0.951	79%	0.794	S	S	*	*			trans	-134.4	143.6	155.9	-123.6	-163.7	-73.7	0	0	111.2
21	I	45.5	Very low	42.2	Very low	144 Å²	144	154 Å²	154	74%	0.738	81%	0.808	S	S	*	*			trans	-96.2	143.3	-160.4	-76.1	170.2	0	0	0	109.5
22	R	48.9	Very low	42.9	Very low	228 Å²	228	155 Å²	155	86%	0.86	81%	0.808	S	S	*	*			trans	53.5	122.1	156	-69.8	168.5	179.6	-146.8	-0.4	118.6
23	Q	41.8	Very low	43.5	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	80%	0.803	S	S	*	*				-157.4	129.6	103.4	-114.1	167.9	3.2	0	0	112.4
24	S	51.4	Low	43.9	Very low	96 Å²	96	151.5 Å²	151.5	67%	0.671	81%	0.81	S	S	*	*			trans	-67.7	120.4	169.6	144.4	0	0	0	0	109.3
25	L	45.1	Very low	44.4	Very low	161 Å²	161	147 Å²	147	84%	0.843	80%	0.802	S	S	*	*			trans	-115.7	86.8	154.8	-74.8	164.7	0	0	0	107.1	C27	L25-C27 VanDerWaalsContact C-N 3.31Å; L25-C27 PolarHBondContact O-N 2.95Å
26	K	46.8	Very low	45.1	Very low	178 Å²	178	145 Å²	145	77%	0.774	79%	0.789	S	S	*	*			trans	-63.3	102.1	155.3	-73.2	179.6	178.7	-179.2	0	105.5	T28	K26-T28 PolarHBondContact O-N 2.75Å
27	C	37.1	Very low	45.4	Very low	126 Å²	126	143.5 Å²	143.5	85%	0.851	79%	0.789	S	S	*	*			trans	-63.7	90.7	161.3	-83.9	0	0	0	0	107.1	L25 G29	L25-C27 VanDerWaalsContact C-N 3.31Å; L25-C27 PolarHBondContact O-N 2.95Å; C27-G29 PolarHBondContact O-N 3.11Å
28	T	53.3	Low	46.1	Very low	133 Å²	133	142 Å²	142	82%	0.816	78%	0.784	S	S	*	*			trans	-71	75.8	161.6	-38.1	0	0	0	0	106.3	K26 C30	K26-T28 PolarHBondContact O-N 2.75Å; T28-C30 PolarHBondContact O-N 2.87Å
29	G	41.7	Very low	47.7	Very low	60 Å²	60	137.3 Å²	137.3	62%	0.619	75%	0.754	S	S	*	*			trans	-61.8	117.1	165.7	0	0	0	0	0	107	C27 L31	C27-G29 PolarHBondContact O-N 3.11Å; G29-L31 PolarHBondContact O-N 2.79Å
30	C	39.1	Very low	49.8	Very low	120 Å²	120	133.4 Å²	133.4	81%	0.811	72%	0.72	S	S	*	*			trans	-48.3	109.8	158.8	-98.5	0	0	0	0	106.7	T28 Q32	T28-C30 PolarHBondContact O-N 2.87Å; C30-Q32 PolarHBondContact O-N 2.63Å
31	L	43.6	Very low	52.3	Low	173 Å²	173	124.5 Å²	124.5	91%	0.906	68%	0.677	S	S	*	*			trans	-62.1	85.1	158.4	-80.1	161	0	0	0	105.5	G29 N33	G29-L31 PolarHBondContact O-N 2.79Å; L31-N33 PolarHBondContact O-N 3.29Å
32	Q	46.6	Very low	54.5	Low	173 Å²	173	119 Å²	119	81%	0.808	65%	0.65	S	S	*	*			trans	-55.5	116.2	160.8	-75.8	-178.8	-33.6	0	0	105.2	C30 S34	C30-Q32 PolarHBondContact O-N 2.63Å; Q32-S34 PolarHBondContact O-N 3.31Å
33	N	45.8	Very low	56.5	Low	151 Å²	151	112.2 Å²	112.2	81%	0.807	64%	0.643	S	S	*	*			trans	-67.3	78.2	-178.3	-157.9	20	0	0	0	108.4	L31 A35	L31-N33 PolarHBondContact O-N 3.29Å; N33-A35 PolarHBondContact O-N 3.1Å; N33-A35 VanDerWaalsContact O-N 3.08Å
34	S	51.3	Low	58.9	Low	123 Å²	123	106.4 Å²	106.4	86%	0.86	62%	0.622	S	S	*	*			trans	-83.5	51.4	177.3	-178.8	0	0	0	0	110.5	Q32	Q32-S34 PolarHBondContact O-N 3.31Å
35	A	46.8	Very low	60.8	Low	75 Å²	75	109.1 Å²	109.1	62%	0.62	62%	0.617	S	S	*	*			trans	-139.3	87.7	-179	0	0	0	0	0	109.8	N33	N33-A35 PolarHBondContact O-N 3.1Å; N33-A35 VanDerWaalsContact O-N 3.08Å
36	R	51.2	Low	63.2	Low	155 Å²	155	105.4 Å²	105.4	59%	0.585	60%	0.598	S	S	*	*			trans	152.3	66.4	142.3	-164.4	172.7	-164.8	173.5	2.9	109.6	S39 E107	R36-S39 PolarHBondContact NE-OG 3.16Å; R36-S39 PolarHBondContact NH2-OG 3.39Å; R36-E107 PolarHBondContact NH2-O 3.12Å
37	A	46.9	Very low	65.5	Low	80 Å²	80	101.5 Å²	101.5	66%	0.661	59%	0.594	S	S	*	*	S	Bend	trans	-78.9	-12.5	-176.8	0	0	0	0	0	114.3
38	Y	57.3	Low	68.2	Low	204 Å²	204	103 Å²	103	80%	0.8	59%	0.586	S	S	*	*			trans	-150.5	72.2	-179	-59.8	-77.2	0	0	0	111.8
39	S	77.3	Confident	70.1	Confident	24 Å²	24	97.2 Å²	97.2	17%	0.168	55%	0.549	C	S	.	.			trans	-85.3	124.9	165.2	-173.9	0	0	0	0	107.3	R36 V41	R36-S39 PolarHBondContact NE-OG 3.16Å; R36-S39 PolarHBondContact NH2-OG 3.39Å; S39-V41 WeakPolarHBondContact CB-O 3.39Å; S39-V41 PolarHBondContact O-N 2.99Å; S39-V41 VanDerWaalsContact O-N 3.1Å; S39-V41 PolarHBondContact OG-O 3.42Å
40	V	88.4	Confident	72.6	Confident	16 Å²	16	99.2 Å²	99.2	10%	0.097	54%	0.541	C	S	.	.	S	Bend	trans	-54.9	-32	178.9	176.1	0	0	0	0	111.4	I104 L171 V174	V40-I104 HydrophobicContact CB-CG1 4.24Å; V40-I104 HydrophobicContact CG1-CD1 4.03Å; V40-I104 HydrophobicContact CG1-CG1 4.3Å; V40-I104 HydrophobicContact CG2-CG1 4.27Å; V40-L171 HydrophobicContact CG1-CB 4.16Å; V40-L171 HydrophobicContact CG1-CD1 4.04Å; V40-L171 WeakPolarHBondContact O-CB 3.3Å; V40-L171 PolarHBondContact O-N 2.88Å; V40-V174 HydrophobicContact CG1-CG2 4.1Å
41	V	92.6	Very high	75.3	Confident	5 Å²	5	98.9 Å²	98.9	3%	0.03	53%	0.527	C	S	.	.	S	Bend	trans	-110.8	129.6	179.1	-175.7	0	0	0	0	108.7	S39 M53 L57 I104 L171	S39-V41 WeakPolarHBondContact CB-O 3.39Å; S39-V41 PolarHBondContact O-N 2.99Å; S39-V41 VanDerWaalsContact O-N 3.1Å; S39-V41 PolarHBondContact OG-O 3.42Å; V41-M53 HydrophobicContact CG1-CG 4.38Å; V41-M53 HydrophobicContact CG1-SD 4.48Å; V41-L57 HydrophobicContact CG2-CD1 3.94Å; V41-L57 HydrophobicContact CG2-CD2 4.3Å; V41-I104 HydrophobicContact CG2-CG2 3.9Å; V41-L171 HydrophobicContact CG2-CD1 4.32Å; V41-L171 HydrophobicContact CG2-CD2 4.34Å
42	P	91.9	Very high	77.7	Confident	28 Å²	28	93.6 Å²	93.6	18%	0.182	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-68.1	155.5	178.3	29.6	-37	0	0	0	111.5	R167 Y168	P42-R167 HydrophobicContact CB-CG 4Å; P42-R167 HydrophobicContact CG-CG 3.81Å; P42-R167 WeakPolarHBondContact CG-O 3.37Å; P42-Y168 HydrophobicContact CG-CD1 3.63Å; P42-Y168 HydrophobicContact CG-CE1 3.56Å
43	A	90.8	Very high	80	Confident	86 Å²	86	85.7 Å²	85.7	71%	0.711	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-61.5	132	173.9	0	0	0	0	0	110.1	R167	A43-R167 PolarHBondContact O-NH2 3.19Å
44	P	92	Very high	82.3	Confident	67 Å²	67	80.5 Å²	80.5	44%	0.435	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.3	-172.1	26.3	-34.5	0	0	0	112.2	E49 K50	P44-E49 WeakPolarHBondContact CA-OE1 3.41Å; P44-K50 HydrophobicContact CB-CB 3.69Å; P44-K50 HydrophobicContact CB-CG 4.33Å; P44-K50 HydrophobicContact CG-CB 3.97Å; P44-K50 HydrophobicContact CG-CD 4.23Å; P44-K50 HydrophobicContact CG-CG 4.1Å
45	R	92.1	Very high	84.4	Confident	153 Å²	153	78.8 Å²	78.8	58%	0.577	41%	0.408	S	S	*	.	S	Bend	trans	-70.9	-42.6	176	-75.5	177.8	-61.5	-165.2	-4.4	112.6	E49 D164	R45-E49 IonicContact CZ-OE2 3.58Å; R45-E49 PolarHBondContact N-OE1 3.05Å; R45-E49 IonicContact NE-OE2 3.33Å; R45-E49 PolarHBondContact NE-OE2 3.4Å; R45-E49 IonicContact NH2-OE2 3.52Å; R45-E49 PolarHBondContact NH2-OE2 3.3Å; R45-D164 IonicContact NH1-OD2 3.2Å
46	D	93.9	Very high	86.8	Confident	83 Å²	83	76.4 Å²	76.4	44%	0.444	38%	0.384	S	S	.	.	S	Bend	trans	-144.1	179.4	-177.5	66.3	34.8	0	0	0	111.6	K48 E49 K50	D46-K48 VanDerWaalsContact C-N 3.32Å; D46-K48 PolarHBondContact O-N 2.89Å; D46-K48 WeakPolarHBondContact OD1-CA 3.44Å; D46-K48 WeakPolarHBondContact OD1-CB 3.19Å; D46-K48 PolarHBondContact OD1-N 3.3Å; D46-E49 PolarHBondContact OD1-N 3.34Å; D46-K50 WeakPolarHBondContact O-CB 3.46Å; D46-K50 PolarHBondContact O-N 2.9Å; D46-K50 VanDerWaalsContact O-N 3.13Å
47	S	95	Very high	88.9	Confident	97 Å²	97	69 Å²	69	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-31	179.4	56.6	0	0	0	0	113.3	E51	S47-E51 WeakPolarHBondContact O-CB 3.35Å; S47-E51 PolarHBondContact O-N 2.91Å
48	K	94.4	Very high	91.3	Very high	157 Å²	157	66.7 Å²	66.7	68%	0.683	33%	0.33	S	S	*	.	H	α-helix	trans	-71.1	-44.7	-178.1	-64.7	-179.9	178.3	178.4	0	110.8	D46 E51 M52	D46-K48 VanDerWaalsContact C-N 3.32Å; D46-K48 PolarHBondContact O-N 2.89Å; D46-K48 WeakPolarHBondContact OD1-CA 3.44Å; D46-K48 WeakPolarHBondContact OD1-CB 3.19Å; D46-K48 PolarHBondContact OD1-N 3.3Å; K48-E51 PolarHBondContact O-N 3.26Å; K48-M52 WeakPolarHBondContact O-CB 3.3Å; K48-M52 PolarHBondContact O-N 2.97Å
49	E	93.6	Very high	93.2	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-42.5	176	-169.4	-173.5	111.6	0	0	111.1	P44 R45 D46 E51 M52 M53 R167 Y168	P44-E49 WeakPolarHBondContact CA-OE1 3.41Å; R45-E49 IonicContact CZ-OE2 3.58Å; R45-E49 PolarHBondContact N-OE1 3.05Å; R45-E49 IonicContact NE-OE2 3.33Å; R45-E49 PolarHBondContact NE-OE2 3.4Å; R45-E49 IonicContact NH2-OE2 3.52Å; R45-E49 PolarHBondContact NH2-OE2 3.3Å; D46-E49 PolarHBondContact OD1-N 3.34Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.48Å; E49-M52 HydrophobicContact CG-CE 4.17Å; E49-M52 WeakPolarHBondContact O-CB 3.35Å; E49-M52 PolarHBondContact O-N 3.48Å; E49-M53 WeakPolarHBondContact O-CG 3.24Å; E49-M53 PolarHBondContact O-N 2.94Å; E49-R167 IonicContact OE1-CZ 3.12Å; E49-R167 IonicContact OE1-NH1 3.65Å; E49-R167 PolarHBondContact OE1-NH1 2.79Å; E49-R167 IonicContact OE1-NH2 2.79Å; E49-R167 PolarHBondContact OE1-NH2 3.34Å; E49-R167 IonicContact OE2-CZ 3.75Å; E49-R167 IonicContact OE2-NH1 3.67Å; E49-R167 PolarHBondContact OE2-NH1 3.38Å; E49-R167 IonicContact OE2-NH2 3.37Å; E49-Y168 WeakPolarHBondContact CG-OH 3.4Å; E49-Y168 PolarHBondContact OE1-OH 3.05Å
50	K	94.6	Very high	94.1	Very high	102 Å²	102	56.2 Å²	56.2	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-56.2	-47.7	173	-174.7	176.9	179.3	178.7	0	111.3	P44 D46 M53 H54	P44-K50 HydrophobicContact CB-CB 3.69Å; P44-K50 HydrophobicContact CB-CG 4.33Å; P44-K50 HydrophobicContact CG-CB 3.97Å; P44-K50 HydrophobicContact CG-CD 4.23Å; P44-K50 HydrophobicContact CG-CG 4.1Å; D46-K50 WeakPolarHBondContact O-CB 3.46Å; D46-K50 PolarHBondContact O-N 2.9Å; D46-K50 VanDerWaalsContact O-N 3.13Å; K50-M53 PolarHBondContact O-N 3.13Å; K50-H54 WeakPolarHBondContact CE-NE2 3.46Å; K50-H54 WeakPolarHBondContact O-CB 3.4Å; K50-H54 PolarHBondContact O-CD2 2.89Å; K50-H54 PolarHBondContact O-N 2.91Å
51	E	94.3	Very high	94.5	Very high	113 Å²	113	55.6 Å²	55.6	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-41.3	180	-157.5	-167.2	151.8	0	0	111.8	S47 K48 E49 H54 R55	S47-E51 WeakPolarHBondContact O-CB 3.35Å; S47-E51 PolarHBondContact O-N 2.91Å; K48-E51 PolarHBondContact O-N 3.26Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.48Å; E51-H54 PolarHBondContact O-N 3.31Å; E51-R55 VanDerWaalsContact CG-NH1 3.26Å; E51-R55 WeakPolarHBondContact O-CG 3.48Å; E51-R55 PolarHBondContact O-N 2.79Å; E51-R55 IonicContact OE1-NH1 3.96Å; E51-R55 PolarHBondContact OE1-NH1 3.31Å; E51-R55 IonicContact OE2-NH1 2.65Å
52	M	94.3	Very high	94.7	Very high	62 Å²	62	55.7 Å²	55.7	31%	0.305	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-49.9	173.7	-178.6	-174.1	76.6	0	0	111.6	K48 E49 R55 M56	K48-M52 WeakPolarHBondContact O-CB 3.3Å; K48-M52 PolarHBondContact O-N 2.97Å; E49-M52 HydrophobicContact CG-CE 4.17Å; E49-M52 WeakPolarHBondContact O-CB 3.35Å; E49-M52 PolarHBondContact O-N 3.48Å; M52-R55 PolarHBondContact O-N 2.84Å; M52-M56 WeakPolarHBondContact O-CB 3.33Å; M52-M56 PolarHBondContact O-N 2.71Å
53	M	95.3	Very high	95	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.039	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-41.1	178.1	-66.4	-62.4	78.6	0	0	112.5	V41 E49 K50 R55 M56 L57 L160 Y168 L171	V41-M53 HydrophobicContact CG1-CG 4.38Å; V41-M53 HydrophobicContact CG1-SD 4.48Å; E49-M53 WeakPolarHBondContact O-CG 3.24Å; E49-M53 PolarHBondContact O-N 2.94Å; K50-M53 PolarHBondContact O-N 3.13Å; M53-R55 VanDerWaalsContact C-N 3.29Å; M53-R55 PolarHBondContact O-N 2.86Å; M53-M56 HydrophobicContact CE-CB 4.09Å; M53-M56 HydrophobicContact CE-CE 3.88Å; M53-M56 HydrophobicContact CE-CG 4.43Å; M53-M56 HydrophobicContact CE-SD 3.49Å; M53-M56 WeakPolarHBondContact CE-SD 3.44Å; M53-M56 PolarHBondContact O-N 2.86Å; M53-L57 WeakPolarHBondContact O-CB 3.35Å; M53-L57 VanDerWaalsContact O-CG 3.25Å; M53-L57 WeakPolarHBondContact O-CG 3.4Å; M53-L57 PolarHBondContact O-N 3.41Å; M53-L160 HydrophobicContact CE-CD2 3.99Å; M53-L160 HydrophobicContact SD-CD2 4.34Å; M53-Y168 HydrophobicContact SD-CD1 4.39Å; M53-Y168 HydrophobicContact SD-CE1 3.81Å; M53-L171 HydrophobicContact SD-CD2 4.27Å
54	H	95.3	Very high	95.3	Very high	42 Å²	42	51.5 Å²	51.5	19%	0.194	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-37.8	175.4	-80.4	-137.1	0	0	0	112.4	K50 E51 R58 V110	K50-H54 WeakPolarHBondContact CE-NE2 3.46Å; K50-H54 WeakPolarHBondContact O-CB 3.4Å; K50-H54 PolarHBondContact O-CD2 2.89Å; K50-H54 PolarHBondContact O-N 2.91Å; E51-H54 PolarHBondContact O-N 3.31Å; H54-R58 WeakPolarHBondContact O-CB 3.4Å; H54-R58 PolarHBondContact O-N 3.34Å; H54-R58 PolarHBondContact O-NH2 2.95Å; H54-V110 HydrophobicContact CB-CG1 4.4Å; H54-V110 HydrophobicContact CB-CG2 4.46Å
55	R	95.1	Very high	95.6	Very high	87 Å²	87	51.1 Å²	51.1	33%	0.328	24%	0.244	S	C	.	.	H	α-helix	trans	-70.4	-45	176.5	-70.3	-170.9	-58.3	-100.1	-4.1	111.5	E51 M52 M53 R58 V59 Q219	E51-R55 VanDerWaalsContact CG-NH1 3.26Å; E51-R55 WeakPolarHBondContact O-CG 3.48Å; E51-R55 PolarHBondContact O-N 2.79Å; E51-R55 IonicContact OE1-NH1 3.96Å; E51-R55 PolarHBondContact OE1-NH1 3.31Å; E51-R55 IonicContact OE2-NH1 2.65Å; M52-R55 PolarHBondContact O-N 2.84Å; M53-R55 VanDerWaalsContact C-N 3.29Å; M53-R55 PolarHBondContact O-N 2.86Å; R55-R58 PolarHBondContact O-N 2.9Å; R55-V59 WeakPolarHBondContact O-CG2 3.42Å; R55-V59 PolarHBondContact O-N 3.26Å; R55-Q219 WeakPolarHBondContact CD-O 3.2Å; R55-Q219 VanDerWaalsContact CG-O 3.3Å; R55-Q219 WeakPolarHBondContact CG-O 3.38Å
56	M	95.8	Very high	95.8	Very high	24 Å²	24	44.4 Å²	44.4	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-61.1	178.9	-174.6	174.1	-81.1	0	0	110.8	M52 M53 R58 V59 D60 Q156 L160	M52-M56 WeakPolarHBondContact O-CB 3.33Å; M52-M56 PolarHBondContact O-N 2.71Å; M53-M56 HydrophobicContact CE-CB 4.09Å; M53-M56 HydrophobicContact CE-CE 3.88Å; M53-M56 HydrophobicContact CE-CG 4.43Å; M53-M56 HydrophobicContact CE-SD 3.49Å; M53-M56 WeakPolarHBondContact CE-SD 3.44Å; M53-M56 PolarHBondContact O-N 2.86Å; M56-R58 VanDerWaalsContact C-N 3.26Å; M56-R58 PolarHBondContact O-N 2.82Å; M56-V59 WeakPolarHBondContact O-CB 3.48Å; M56-V59 PolarHBondContact O-N 3.37Å; M56-D60 PolarHBondContact O-N 2.96Å; M56-D60 VanDerWaalsContact O-N 3.08Å; M56-Q156 HydrophobicContact CE-CB 3.94Å; M56-Q156 HydrophobicContact CE-CG 3.89Å; M56-Q156 HydrophobicContact CG-CG 4.11Å; M56-Q156 HydrophobicContact SD-CB 4.31Å; M56-Q156 HydrophobicContact SD-CG 4.26Å; M56-Q156 PolarHBondContact SD-OE1 3.09Å; M56-L160 HydrophobicContact CE-CD2 4.16Å; M56-L160 HydrophobicContact CE-CG 4.14Å; M56-L160 HydrophobicContact SD-CD1 4.08Å; M56-L160 HydrophobicContact SD-CD2 4.11Å; M56-L160 HydrophobicContact SD-CG 4.22Å
57	L	96.6	Very high	96	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-33.9	-176.7	-62.9	171.2	0	0	0	113	V41 M53 V59 H61 F101 I104 L105 N108 V110 L171	V41-L57 HydrophobicContact CG2-CD1 3.94Å; V41-L57 HydrophobicContact CG2-CD2 4.3Å; M53-L57 WeakPolarHBondContact O-CB 3.35Å; M53-L57 VanDerWaalsContact O-CG 3.25Å; M53-L57 WeakPolarHBondContact O-CG 3.4Å; M53-L57 PolarHBondContact O-N 3.41Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-H61 VanDerWaalsContact O-CB 3.32Å; L57-H61 WeakPolarHBondContact O-CB 3.3Å; L57-H61 PolarHBondContact O-N 2.95Å; L57-F101 HydrophobicContact CD2-CE1 4.31Å; L57-I104 HydrophobicContact CD1-CG2 4.02Å; L57-I104 HydrophobicContact CD2-CG2 3.65Å; L57-I104 HydrophobicContact CG-CG2 4.38Å; L57-L105 HydrophobicContact CB-CD1 4.02Å; L57-L105 WeakPolarHBondContact O-CD1 3.34Å; L57-N108 HydrophobicContact CD1-CB 4.5Å; L57-V110 HydrophobicContact CB-CG1 4.47Å; L57-V110 HydrophobicContact CD1-CG2 4.05Å; L57-L171 HydrophobicContact CD2-CD1 4.14Å
58	R	96.2	Very high	96.2	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-37.9	177.2	-174.9	-174.4	-52.1	118.5	11.5	112.1	H54 R55 M56 A62 V110 R111 S218 Q219 V221	H54-R58 WeakPolarHBondContact O-CB 3.4Å; H54-R58 PolarHBondContact O-N 3.34Å; H54-R58 PolarHBondContact O-NH2 2.95Å; R55-R58 PolarHBondContact O-N 2.9Å; M56-R58 VanDerWaalsContact C-N 3.26Å; M56-R58 PolarHBondContact O-N 2.82Å; R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 2.74Å; R58-V110 HydrophobicContact CB-CG1 4.45Å; R58-R111 PolarHBondContact NE-O 3.25Å; R58-R111 VanDerWaalsContact NE-O 3.16Å; R58-S218 WeakPolarHBondContact CD-O 3.39Å; R58-Q219 PolarHBondContact NH1-O 3.45Å; R58-V221 VanDerWaalsContact CD-O 3.24Å; R58-V221 WeakPolarHBondContact CD-O 3.45Å
59	V	96.7	Very high	96.4	Very high	5 Å²	5	32 Å²	32	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-73	-43	179.7	176.6	0	0	0	0	110.2	R55 M56 L57 H61 A62 G63 H152 I215 Q219	R55-V59 WeakPolarHBondContact O-CG2 3.42Å; R55-V59 PolarHBondContact O-N 3.26Å; M56-V59 WeakPolarHBondContact O-CB 3.48Å; M56-V59 PolarHBondContact O-N 3.37Å; L57-V59 VanDerWaalsContact C-N 3.32Å; V59-H61 VanDerWaalsContact C-N 3.34Å; V59-H61 PolarHBondContact O-N 2.99Å; V59-A62 PolarHBondContact O-N 3.47Å; V59-A62 VanDerWaalsContact O-N 3.13Å; V59-G63 PolarHBondContact O-N 2.99Å; V59-H152 VanDerWaalsContact CG1-NE2 3.3Å; V59-H152 WeakPolarHBondContact CG1-NE2 3.34Å; V59-I215 HydrophobicContact CG1-CB 4.27Å; V59-I215 HydrophobicContact CG1-CG1 4.04Å; V59-I215 HydrophobicContact CG1-CG2 3.98Å; V59-Q219 HydrophobicContact CG2-CB 4.12Å; V59-Q219 HydrophobicContact CG2-CG 3.26Å
60	D	97.1	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.011	15%	0.153	C	C	.	.	H	α-helix	trans	-56.4	-52.3	175.4	-61.1	-34.1	0	0	0	110.3	M56 A62 G63 E64 F101 H152 Y153 Q156	M56-D60 PolarHBondContact O-N 2.96Å; M56-D60 VanDerWaalsContact O-N 3.08Å; D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 PolarHBondContact O-N 3.22Å; D60-G63 WeakPolarHBondContact O-CA 3.4Å; D60-G63 PolarHBondContact O-N 3.49Å; D60-E64 WeakPolarHBondContact O-CG 3.28Å; D60-E64 PolarHBondContact O-N 3.28Å; D60-F101 HydrophobicContact CB-CD1 3.83Å; D60-F101 HydrophobicContact CB-CD2 4.38Å; D60-F101 HydrophobicContact CB-CE1 3.35Å; D60-F101 HydrophobicContact CB-CE2 3.91Å; D60-F101 HydrophobicContact CB-CG 4.33Å; D60-F101 HydrophobicContact CB-CZ 3.4Å; D60-H152 IonicContact OD1-CD2 2.84Å; D60-H152 IonicContact OD1-NE2 2.75Å; D60-Y153 HydrophobicContact CB-CE1 4.38Å; D60-Y153 WeakPolarHBondContact OD1-CE1 3.42Å; D60-Q156 VanDerWaalsContact CG-NE2 3.28Å; D60-Q156 PolarHBondContact OD1-NE2 3.33Å; D60-Q156 PolarHBondContact OD2-NE2 2.83Å; D60-Q156 PolarHBondContact OD2-OE1 3.42Å
61	H	97.6	Very high	96.8	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-41.2	176.2	-179.6	-98.4	0	0	0	113.2	L57 V59 G63 Y65 F101 N102 L105	L57-H61 VanDerWaalsContact O-CB 3.32Å; L57-H61 WeakPolarHBondContact O-CB 3.3Å; L57-H61 PolarHBondContact O-N 2.95Å; V59-H61 VanDerWaalsContact C-N 3.34Å; V59-H61 PolarHBondContact O-N 2.99Å; H61-G63 VanDerWaalsContact C-N 3.34Å; H61-Y65 WeakPolarHBondContact O-CB 3.44Å; H61-Y65 PolarHBondContact O-N 3.18Å; H61-F101 HydrophobicContact CB-CB 4.22Å; H61-N102 PolarHBondContact CD2-OD1 3.22Å; H61-N102 PolarHBondContact NE2-OD1 3.02Å; H61-L105 HydrophobicContact CB-CD1 3.81Å; H61-L105 HydrophobicContact CB-CD2 3.67Å; H61-L105 HydrophobicContact CB-CG 4.4Å; H61-L105 VanDerWaalsContact CG-CD2 3.46Å
62	A	96.9	Very high	97.1	Very high	7 Å²	7	22.3 Å²	22.3	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-34.2	177.4	0	0	0	0	0	112.5	R58 V59 D60 G66 T113	R58-A62 WeakPolarHBondContact O-CB 3.43Å; R58-A62 PolarHBondContact O-N 2.74Å; V59-A62 PolarHBondContact O-N 3.47Å; V59-A62 VanDerWaalsContact O-N 3.13Å; D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 PolarHBondContact O-N 3.22Å; A62-G66 PolarHBondContact O-N 3.34Å; A62-T113 HydrophobicContact CB-CG2 3.85Å
63	G	96.7	Very high	97.3	Very high	26 Å²	26	19.4 Å²	19.4	27%	0.268	10%	0.096	S	C	.	.	H	α-helix	trans	-62.2	-60.2	174.2	0	0	0	0	0	111.1	V59 D60 H61 Y65 G66 A67	V59-G63 PolarHBondContact O-N 2.99Å; D60-G63 WeakPolarHBondContact O-CA 3.4Å; D60-G63 PolarHBondContact O-N 3.49Å; H61-G63 VanDerWaalsContact C-N 3.34Å; G63-Y65 VanDerWaalsContact C-N 3.27Å; G63-Y65 PolarHBondContact O-N 2.99Å; G63-G66 CarbonylContact O-C 3.59Å; G63-G66 WeakPolarHBondContact O-CA 3.21Å; G63-G66 PolarHBondContact O-N 2.95Å; G63-A67 PolarHBondContact O-N 3.25Å
64	E	97.4	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-41.3	177.4	-56.1	-44.9	123.4	0	0	111.4	D60 G66 A67 N68 E94 H97 L98 F101 Y153	D60-E64 WeakPolarHBondContact O-CG 3.28Å; D60-E64 PolarHBondContact O-N 3.28Å; E64-G66 VanDerWaalsContact C-N 3.3Å; E64-G66 PolarHBondContact O-N 3.37Å; E64-A67 PolarHBondContact O-N 3.18Å; E64-N68 WeakPolarHBondContact O-CB 3.18Å; E64-N68 PolarHBondContact O-N 2.69Å; E64-E94 VanDerWaalsContact CA-OE1 3.24Å; E64-E94 WeakPolarHBondContact CA-OE1 3.44Å; E64-H97 HydrophobicContact CG-CB 4.12Å; E64-H97 WeakPolarHBondContact OE2-CB 3.36Å; E64-H97 IonicContact OE2-CG 2.62Å; E64-H97 IonicContact OE2-ND1 3.99Å; E64-H97 PolarHBondContact OE2-ND1 3.3Å; E64-L98 HydrophobicContact CB-CB 4.13Å; E64-L98 HydrophobicContact CB-CD1 4.29Å; E64-F101 HydrophobicContact CG-CD2 3.58Å; E64-F101 HydrophobicContact CG-CE2 3.87Å; E64-Y153 PolarHBondContact OE1-OH 3.4Å
65	Y	98	Very high	97.6	Very high	58 Å²	58	18.7 Å²	18.7	23%	0.227	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176	-173.4	-95.9	0	0	0	111.9	H61 G63 R69 L98 L116 N120	H61-Y65 WeakPolarHBondContact O-CB 3.44Å; H61-Y65 PolarHBondContact O-N 3.18Å; G63-Y65 VanDerWaalsContact C-N 3.27Å; G63-Y65 PolarHBondContact O-N 2.99Å; Y65-R69 HydrophobicContact CD1-CG 4.35Å; Y65-R69 HydrophobicContact CE1-CG 4.07Å; Y65-R69 WeakPolarHBondContact O-CG 3.43Å; Y65-R69 PolarHBondContact O-N 2.85Å; Y65-L98 HydrophobicContact CD2-CD1 4.13Å; Y65-L98 HydrophobicContact CD2-CD2 3.97Å; Y65-L116 HydrophobicContact CD1-CD2 3.62Å; Y65-L116 HydrophobicContact CE1-CD2 4.14Å; Y65-L116 HydrophobicContact CG-CD2 3.86Å; Y65-N120 HydrophobicContact CE1-CB 3.73Å; Y65-N120 PolarHBondContact OH-OD1 3.49Å
66	G	97.9	Very high	97.7	Very high	12 Å²	12	18 Å²	18	12%	0.124	11%	0.106	C	C	.	.	H	α-helix	trans	-63.8	-50.4	174.6	0	0	0	0	0	112.7	A62 G63 E64 R69 I70	A62-G66 PolarHBondContact O-N 3.34Å; G63-G66 CarbonylContact O-C 3.59Å; G63-G66 WeakPolarHBondContact O-CA 3.21Å; G63-G66 PolarHBondContact O-N 2.95Å; E64-G66 VanDerWaalsContact C-N 3.3Å; E64-G66 PolarHBondContact O-N 3.37Å; G66-R69 WeakPolarHBondContact O-CB 3.25Å; G66-R69 PolarHBondContact O-N 3.15Å; G66-R69 VanDerWaalsContact O-N 3.08Å; G66-I70 WeakPolarHBondContact O-CG1 3.21Å; G66-I70 PolarHBondContact O-N 3.38Å
67	A	97.9	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-46.8	177.6	0	0	0	0	0	111.4	G63 E64 R69 I70 Y71 E94 V145 I149	G63-A67 PolarHBondContact O-N 3.25Å; E64-A67 PolarHBondContact O-N 3.18Å; A67-R69 PolarHBondContact O-N 3.25Å; A67-R69 VanDerWaalsContact O-N 3.13Å; A67-I70 WeakPolarHBondContact O-CB 3.34Å; A67-I70 PolarHBondContact O-N 2.99Å; A67-Y71 WeakPolarHBondContact O-CD2 3.3Å; A67-Y71 PolarHBondContact O-N 2.87Å; A67-E94 VanDerWaalsContact CB-CD 3.49Å; A67-E94 HydrophobicContact CB-CG 4.27Å; A67-E94 WeakPolarHBondContact CB-OE2 3.5Å; A67-V145 HydrophobicContact CB-CG1 4.49Å; A67-I149 HydrophobicContact CB-CD1 4.01Å
68	N	98.5	Very high	98	Very high	21 Å²	21	20.5 Å²	20.5	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-53.7	-38.1	173.6	-167.2	-89.3	0	0	0	113.3	E64 A72 W91 E94 K95 L98	E64-N68 WeakPolarHBondContact O-CB 3.18Å; E64-N68 PolarHBondContact O-N 2.69Å; N68-A72 PolarHBondContact O-N 2.81Å; N68-A72 VanDerWaalsContact O-N 3.09Å; N68-W91 PolarHBondContact ND2-NE1 2.84Å; N68-W91 PolarHBondContact O-NE1 2.93Å; N68-W91 VanDerWaalsContact O-NE1 3.09Å; N68-E94 HydrophobicContact CB-CG 3.98Å; N68-K95 VanDerWaalsContact ND2-CG 3.3Å; N68-K95 WeakPolarHBondContact ND2-CG 3.42Å; N68-L98 HydrophobicContact CB-CD2 3.91Å
69	R	98.7	Very high	98	Very high	55 Å²	55	20.2 Å²	20.2	21%	0.208	13%	0.129	C	C	.	.	H	α-helix	trans	-77.5	-33.1	179.5	-67.5	-64.3	-55.5	150.8	-11.6	112.6	Y65 G66 A67 A72 G73 N120 F124	Y65-R69 HydrophobicContact CD1-CG 4.35Å; Y65-R69 HydrophobicContact CE1-CG 4.07Å; Y65-R69 WeakPolarHBondContact O-CG 3.43Å; Y65-R69 PolarHBondContact O-N 2.85Å; G66-R69 WeakPolarHBondContact O-CB 3.25Å; G66-R69 PolarHBondContact O-N 3.15Å; G66-R69 VanDerWaalsContact O-N 3.08Å; A67-R69 PolarHBondContact O-N 3.25Å; A67-R69 VanDerWaalsContact O-N 3.13Å; R69-A72 WeakPolarHBondContact O-CB 3.49Å; R69-A72 PolarHBondContact O-N 3.46Å; R69-G73 PolarHBondContact O-N 3.26Å; R69-N120 WeakPolarHBondContact CD-OD1 3.28Å; R69-N120 VanDerWaalsContact CZ-OD1 3.29Å; R69-N120 PolarHBondContact NE-O 3.4Å; R69-N120 VanDerWaalsContact NE-O 3.1Å; R69-N120 PolarHBondContact NE-OD1 2.96Å; R69-N120 PolarHBondContact NH2-O 3.25Å; R69-N120 PolarHBondContact NH2-OD1 2.83Å; R69-F124 VanDerWaalsContact O-CA 3.28Å; R69-F124 WeakPolarHBondContact O-CA 3.48Å
70	I	98.7	Very high	98	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-51.6	170.6	-70	156.6	0	0	0	109.9	G66 A67 A72 G73 Q74 G123 L126 G127 V145	G66-I70 WeakPolarHBondContact O-CG1 3.21Å; G66-I70 PolarHBondContact O-N 3.38Å; A67-I70 WeakPolarHBondContact O-CB 3.34Å; A67-I70 PolarHBondContact O-N 2.99Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.05Å; I70-G73 CarbonylContact O-C 3.37Å; I70-G73 WeakPolarHBondContact O-CA 3.48Å; I70-G73 PolarHBondContact O-N 3.1Å; I70-Q74 HydrophobicContact CG2-CG 4.44Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 2.93Å; I70-G123 VanDerWaalsContact CA-O 3.3Å; I70-G123 WeakPolarHBondContact CA-O 3.3Å; I70-G123 VanDerWaalsContact CG1-O 3.26Å; I70-G123 WeakPolarHBondContact CG1-O 3.26Å; I70-L126 HydrophobicContact CD1-CD2 4.13Å; I70-L126 HydrophobicContact CG1-CD2 4.32Å; I70-G127 WeakPolarHBondContact O-CA 3.31Å; I70-V145 HydrophobicContact CD1-CG1 4.09Å; I70-V145 HydrophobicContact CD1-CG2 3.81Å
71	Y	98.7	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-39.3	176.4	-79	-62.9	0	0	0	112.8	A67 G73 Q74 M75 I87 M90 W91 E94 T142 E146	A67-Y71 WeakPolarHBondContact O-CD2 3.3Å; A67-Y71 PolarHBondContact O-N 2.87Å; Y71-G73 VanDerWaalsContact C-N 3.29Å; Y71-G73 PolarHBondContact O-N 2.88Å; Y71-Q74 VanDerWaalsContact CD1-OE1 3.26Å; Y71-Q74 PolarHBondContact O-N 3.19Å; Y71-M75 WeakPolarHBondContact O-CB 3.4Å; Y71-M75 WeakPolarHBondContact O-CG 3.49Å; Y71-M75 PolarHBondContact O-N 3.42Å; Y71-I87 HydrophobicContact CD1-CG2 3.88Å; Y71-I87 HydrophobicContact CE1-CG2 4.5Å; Y71-M90 HydrophobicContact CE1-CB 3.77Å; Y71-M90 HydrophobicContact CE1-CE 4Å; Y71-M90 HydrophobicContact CE1-SD 4.49Å; Y71-M90 WeakPolarHBondContact OH-CB 3.17Å; Y71-W91 HydrophobicContact CD1-CB 4.15Å; Y71-W91 HydrophobicContact CD2-CB 4.42Å; Y71-W91 HydrophobicContact CG-CB 3.85Å; Y71-W91 AromaticContact CG-CD1 3.96Å; Y71-W91 HydrophobicContact CG-CG 4.04Å; Y71-E94 HydrophobicContact CD2-CB 4.08Å; Y71-E94 HydrophobicContact CD2-CG 3.96Å; Y71-E94 HydrophobicContact CE2-CB 4.14Å; Y71-E94 HydrophobicContact CE2-CG 4.27Å; Y71-T142 WeakPolarHBondContact OH-CG2 3.43Å; Y71-E146 PolarHBondContact OH-OE1 2.88Å
72	A	98.8	Very high	97.9	Very high	11 Å²	11	46.1 Å²	46.1	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-39.9	173.3	0	0	0	0	0	112.3	N68 R69 I70 A76 W91 F124	N68-A72 PolarHBondContact O-N 2.81Å; N68-A72 VanDerWaalsContact O-N 3.09Å; R69-A72 WeakPolarHBondContact O-CB 3.49Å; R69-A72 PolarHBondContact O-N 3.46Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.05Å; A72-A76 PolarHBondContact O-N 2.65Å; A72-A76 VanDerWaalsContact O-N 3.09Å; A72-W91 HydrophobicContact CB-CH2 4.02Å; A72-W91 HydrophobicContact CB-CZ2 3.59Å; A72-F124 HydrophobicContact CB-CD2 4.21Å
73	G	98.8	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-44.8	174.4	0	0	0	0	0	112.5	R69 I70 Y71 M75 A76 V77 A128	R69-G73 PolarHBondContact O-N 3.26Å; I70-G73 CarbonylContact O-C 3.37Å; I70-G73 WeakPolarHBondContact O-CA 3.48Å; I70-G73 PolarHBondContact O-N 3.1Å; Y71-G73 VanDerWaalsContact C-N 3.29Å; Y71-G73 PolarHBondContact O-N 2.88Å; G73-M75 PolarHBondContact O-N 3.05Å; G73-A76 WeakPolarHBondContact O-CB 3.45Å; G73-A76 PolarHBondContact O-N 3.22Å; G73-V77 PolarHBondContact O-N 3.42Å; G73-A128 WeakPolarHBondContact O-CA 3.35Å
74	Q	98.7	Very high	97.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-45.3	176.3	-68.6	178	-17.8	0	0	111.5	I70 Y71 A76 V77 L78 I87 G127 A131 A138 T142	I70-Q74 HydrophobicContact CG2-CG 4.44Å; I70-Q74 WeakPolarHBondContact O-CG 3.5Å; I70-Q74 PolarHBondContact O-N 2.93Å; Y71-Q74 VanDerWaalsContact CD1-OE1 3.26Å; Y71-Q74 PolarHBondContact O-N 3.19Å; Q74-A76 VanDerWaalsContact C-N 3.29Å; Q74-A76 PolarHBondContact O-N 3.36Å; Q74-V77 PolarHBondContact O-N 3.1Å; Q74-V77 VanDerWaalsContact O-N 3.12Å; Q74-L78 PolarHBondContact O-N 2.68Å; Q74-I87 HydrophobicContact CB-CD1 4.44Å; Q74-I87 HydrophobicContact CB-CG2 4.04Å; Q74-G127 WeakPolarHBondContact CG-O 3.43Å; Q74-A131 HydrophobicContact CB-CB 4.24Å; Q74-A131 HydrophobicContact CG-CB 4.24Å; Q74-A138 HydrophobicContact CG-CB 4.15Å; Q74-A138 PolarHBondContact NE2-O 2.74Å; Q74-T142 PolarHBondContact NE2-OG1 2.76Å
75	M	98.6	Very high	97.9	Very high	36 Å²	36	49.6 Å²	49.6	18%	0.177	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-30.9	177.3	-76.9	-59	-64.9	0	0	113.2	Y71 G73 V77 G79 I87 Q88 W91	Y71-M75 WeakPolarHBondContact O-CB 3.4Å; Y71-M75 WeakPolarHBondContact O-CG 3.49Å; Y71-M75 PolarHBondContact O-N 3.42Å; G73-M75 PolarHBondContact O-N 3.05Å; M75-V77 PolarHBondContact O-N 3.17Å; M75-G79 WeakPolarHBondContact O-CA 3.47Å; M75-G79 PolarHBondContact O-N 3.07Å; M75-I87 HydrophobicContact CG-CG2 3.7Å; M75-I87 HydrophobicContact SD-CB 3.77Å; M75-I87 HydrophobicContact SD-CG2 3.56Å; M75-I87 VanDerWaalsContact SD-CG2 3.56Å; M75-Q88 HydrophobicContact CE-CB 4.21Å; M75-Q88 HydrophobicContact SD-CB 4.35Å; M75-W91 HydrophobicContact CB-CE3 4.31Å; M75-W91 HydrophobicContact CB-CZ3 4.03Å; M75-W91 HydrophobicContact CG-CE3 3.63Å; M75-W91 HydrophobicContact CG-CZ3 3.84Å
76	A	98.5	Very high	97.9	Very high	71 Å²	71	48.3 Å²	48.3	59%	0.587	25%	0.246	S	C	*	.	H	α-helix	trans	-62.6	-29	174.7	0	0	0	0	0	112.5	A72 G73 Q74 F124	A72-A76 PolarHBondContact O-N 2.65Å; A72-A76 VanDerWaalsContact O-N 3.09Å; G73-A76 WeakPolarHBondContact O-CB 3.45Å; G73-A76 PolarHBondContact O-N 3.22Å; Q74-A76 VanDerWaalsContact C-N 3.29Å; Q74-A76 PolarHBondContact O-N 3.36Å; A76-F124 HydrophobicContact CB-CE2 4.19Å; A76-F124 HydrophobicContact CB-CZ 3.97Å
77	V	98.5	Very high	98	Very high	58 Å²	58	47.8 Å²	47.8	35%	0.352	24%	0.241	S	C	.	.	H	α-helix	trans	-99.9	-50.2	-178.1	-179.6	0	0	0	0	111.8	G73 Q74 M75 A128 A131 L132	G73-V77 PolarHBondContact O-N 3.42Å; Q74-V77 PolarHBondContact O-N 3.1Å; Q74-V77 VanDerWaalsContact O-N 3.12Å; M75-V77 PolarHBondContact O-N 3.17Å; V77-A128 HydrophobicContact CG2-CB 4.08Å; V77-A131 HydrophobicContact CB-CB 3.79Å; V77-A131 HydrophobicContact CG1-CB 4.08Å; V77-A131 HydrophobicContact CG2-CB 4.29Å; V77-L132 HydrophobicContact CG1-CD2 3.84Å; V77-L132 HydrophobicContact CG1-CG 4.19Å; V77-L132 HydrophobicContact CG2-CD2 4.35Å; V77-L132 HydrophobicContact CG2-CG 4.27Å
78	L	98.2	Very high	98	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-101.8	-0	-172.1	-68.2	173.1	0	0	0	113.9	Q74 R80 S81 G84 I87 A131 A138	Q74-L78 PolarHBondContact O-N 2.68Å; L78-R80 PolarHBondContact O-N 3.45Å; L78-R80 VanDerWaalsContact O-N 3.08Å; L78-S81 VanDerWaalsContact O-CB 3.22Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.75Å; L78-S81 PolarHBondContact O-OG 3.49Å; L78-G84 WeakPolarHBondContact O-CA 3.21Å; L78-I87 HydrophobicContact CB-CD1 3.91Å; L78-I87 HydrophobicContact CD1-CD1 4.03Å; L78-A131 HydrophobicContact CD1-CB 3.72Å; L78-A131 HydrophobicContact CG-CB 3.94Å; L78-A138 HydrophobicContact CD1-CB 3.66Å
79	G	97.1	Very high	98	Very high	25 Å²	25	55.4 Å²	55.4	26%	0.258	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.3	-173.9	0	0	0	0	0	115.1	M75	M75-G79 WeakPolarHBondContact O-CA 3.47Å; M75-G79 PolarHBondContact O-N 3.07Å
80	R	96.6	Very high	97.9	Very high	259 Å²	259	53 Å²	53	98%	0.977	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1	174.4	-63.4	-177.6	178.8	167.6	0.3	113.8	L78	L78-R80 PolarHBondContact O-N 3.45Å; L78-R80 VanDerWaalsContact O-N 3.08Å
81	S	96.9	Very high	97.9	Very high	43 Å²	43	54.5 Å²	54.5	30%	0.301	27%	0.271	S	S	.	.	S	Bend	trans	-83	175.6	177.3	80	0	0	0	0	111.3	L78 T83 G84	L78-S81 VanDerWaalsContact O-CB 3.22Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.75Å; L78-S81 PolarHBondContact O-OG 3.49Å; S81-T83 PolarHBondContact O-N 3.34Å; S81-T83 PolarHBondContact OG-N 3.09Å; S81-T83 VanDerWaalsContact OG-N 3.16Å; S81-G84 PolarHBondContact O-N 3.35Å; S81-G84 VanDerWaalsContact O-N 3.17Å; S81-G84 PolarHBondContact OG-N 3.16Å
82	R	95.8	Very high	97.9	Very high	253 Å²	253	57.7 Å²	57.7	96%	0.955	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.8	173	-64.5	-176	-179.6	-175.1	-0	113.1
83	T	96	Very high	97.8	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.117	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.8	177.4	-39.6	0	0	0	0	112.2	S81 L86 I87 K135 M139	S81-T83 PolarHBondContact O-N 3.34Å; S81-T83 PolarHBondContact OG-N 3.09Å; S81-T83 VanDerWaalsContact OG-N 3.16Å; T83-L86 HydrophobicContact CG2-CD2 4.19Å; T83-L86 WeakPolarHBondContact O-CB 3.35Å; T83-L86 PolarHBondContact O-N 3.11Å; T83-L86 VanDerWaalsContact O-N 3.1Å; T83-I87 HydrophobicContact CG2-CD1 3.94Å; T83-I87 HydrophobicContact CG2-CG1 4.02Å; T83-I87 PolarHBondContact O-N 2.91Å; T83-I87 VanDerWaalsContact O-N 3.08Å; T83-K135 HydrophobicContact CG2-CD 4.29Å; T83-K135 HydrophobicContact CG2-CG 3.75Å; T83-M139 HydrophobicContact CG2-CE 4.49Å
84	G	97.8	Very high	97.7	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-51.6	-47.1	-177.9	0	0	0	0	0	114.3	L78 S81 L86 I87 Q88	L78-G84 WeakPolarHBondContact O-CA 3.21Å; S81-G84 PolarHBondContact O-N 3.35Å; S81-G84 VanDerWaalsContact O-N 3.17Å; S81-G84 PolarHBondContact OG-N 3.16Å; G84-L86 PolarHBondContact O-N 2.82Å; G84-I87 PolarHBondContact O-N 3.27Å; G84-Q88 WeakPolarHBondContact O-CB 3.31Å; G84-Q88 PolarHBondContact O-N 3.49Å
85	P	98.4	Very high	97.7	Very high	85 Å²	85	64.1 Å²	64.1	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-40	177	-26.7	36.3	0	0	0	114.1	Q88 Q89	P85-Q88 PolarHBondContact O-N 2.87Å; P85-Q89 WeakPolarHBondContact O-CG 3.44Å; P85-Q89 PolarHBondContact O-N 3.35Å
86	L	97.8	Very high	97.7	Very high	31 Å²	31	69 Å²	69	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-48.3	178	177.5	70.5	0	0	0	111.1	T83 G84 Q88 Q89 M90 M139 T188 H192	T83-L86 HydrophobicContact CG2-CD2 4.19Å; T83-L86 WeakPolarHBondContact O-CB 3.35Å; T83-L86 PolarHBondContact O-N 3.11Å; T83-L86 VanDerWaalsContact O-N 3.1Å; G84-L86 PolarHBondContact O-N 2.82Å; L86-Q88 VanDerWaalsContact C-N 3.26Å; L86-Q88 PolarHBondContact O-N 2.86Å; L86-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 VanDerWaalsContact O-N 3.17Å; L86-M90 HydrophobicContact CG-CE 4.23Å; L86-M90 PolarHBondContact O-N 3.08Å; L86-M139 HydrophobicContact CD2-SD 4.25Å; L86-T188 HydrophobicContact CD1-CG2 3.83Å; L86-T188 HydrophobicContact CD2-CG2 4.4Å; L86-T188 HydrophobicContact CG-CG2 4.42Å; L86-H192 HydrophobicContact CD2-CB 4.26Å; L86-H192 WeakPolarHBondContact CD2-CD2 3.25Å; L86-H192 WeakPolarHBondContact CD2-NE2 3.12Å
87	I	98.2	Very high	97.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-39.8	177	-63.2	169.3	0	0	0	110.1	Y71 Q74 M75 L78 T83 G84 Q89 W91 M139	Y71-I87 HydrophobicContact CD1-CG2 3.88Å; Y71-I87 HydrophobicContact CE1-CG2 4.5Å; Q74-I87 HydrophobicContact CB-CD1 4.44Å; Q74-I87 HydrophobicContact CB-CG2 4.04Å; M75-I87 HydrophobicContact CG-CG2 3.7Å; M75-I87 HydrophobicContact SD-CB 3.77Å; M75-I87 HydrophobicContact SD-CG2 3.56Å; M75-I87 VanDerWaalsContact SD-CG2 3.56Å; L78-I87 HydrophobicContact CB-CD1 3.91Å; L78-I87 HydrophobicContact CD1-CD1 4.03Å; T83-I87 HydrophobicContact CG2-CD1 3.94Å; T83-I87 HydrophobicContact CG2-CG1 4.02Å; T83-I87 PolarHBondContact O-N 2.91Å; T83-I87 VanDerWaalsContact O-N 3.08Å; G84-I87 PolarHBondContact O-N 3.27Å; I87-Q89 PolarHBondContact O-N 3.5Å; I87-W91 VanDerWaalsContact O-CB 3.24Å; I87-W91 WeakPolarHBondContact O-CB 3.39Å; I87-W91 PolarHBondContact O-N 3.25Å; I87-M139 HydrophobicContact CD1-CE 4.38Å; I87-M139 HydrophobicContact CG1-CE 3.93Å
88	Q	98.5	Very high	97.7	Very high	55 Å²	55	63.9 Å²	63.9	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.2	-173	60.7	69.8	0	0	112.4	M75 G84 P85 L86 W91 D92	M75-Q88 HydrophobicContact CE-CB 4.21Å; M75-Q88 HydrophobicContact SD-CB 4.35Å; G84-Q88 WeakPolarHBondContact O-CB 3.31Å; G84-Q88 PolarHBondContact O-N 3.49Å; P85-Q88 PolarHBondContact O-N 2.87Å; L86-Q88 VanDerWaalsContact C-N 3.26Å; L86-Q88 PolarHBondContact O-N 2.86Å; Q88-W91 PolarHBondContact O-N 3.13Å; Q88-D92 PolarHBondContact NE2-OD1 3.43Å; Q88-D92 PolarHBondContact NE2-OD2 3.49Å; Q88-D92 WeakPolarHBondContact O-CB 3.32Å; Q88-D92 PolarHBondContact O-N 3.27Å
89	Q	98.1	Very high	97.7	Very high	128 Å²	128	65.7 Å²	65.7	60%	0.598	31%	0.311	S	S	*	.	H	α-helix	trans	-63	-50.4	178.1	-75.2	175.1	-48.1	0	0	111.9	P85 L86 I87 W91 D92 Q93	P85-Q89 WeakPolarHBondContact O-CG 3.44Å; P85-Q89 PolarHBondContact O-N 3.35Å; L86-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 VanDerWaalsContact O-N 3.17Å; I87-Q89 PolarHBondContact O-N 3.5Å; Q89-W91 VanDerWaalsContact C-N 3.32Å; Q89-W91 PolarHBondContact O-N 3.04Å; Q89-D92 PolarHBondContact O-N 2.79Å; Q89-Q93 PolarHBondContact O-N 3.01Å
90	M	97.8	Very high	97.7	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-44	175.6	-64.2	-176.2	-71.1	0	0	110.8	Y71 L86 D92 Q93 E94 M139 T142 H185 T188	Y71-M90 HydrophobicContact CE1-CB 3.77Å; Y71-M90 HydrophobicContact CE1-CE 4Å; Y71-M90 HydrophobicContact CE1-SD 4.49Å; Y71-M90 WeakPolarHBondContact OH-CB 3.17Å; L86-M90 HydrophobicContact CG-CE 4.23Å; L86-M90 PolarHBondContact O-N 3.08Å; M90-D92 VanDerWaalsContact C-N 3.26Å; M90-D92 PolarHBondContact O-N 2.79Å; M90-Q93 WeakPolarHBondContact O-CB 3.48Å; M90-Q93 PolarHBondContact O-N 2.83Å; M90-E94 PolarHBondContact O-N 3.47Å; M90-M139 HydrophobicContact CE-CE 3.95Å; M90-M139 HydrophobicContact CE-SD 4.22Å; M90-T142 HydrophobicContact SD-CG2 4.31Å; M90-H185 HydrophobicContact SD-CB 4.41Å; M90-T188 HydrophobicContact SD-CG2 3.88Å
91	W	98.5	Very high	97.8	Very high	43 Å²	43	55 Å²	55	16%	0.163	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-31.6	178.4	-170.9	26	0	0	0	113.5	N68 Y71 A72 M75 I87 Q88 Q89 Q93 K95	N68-W91 PolarHBondContact ND2-NE1 2.84Å; N68-W91 PolarHBondContact O-NE1 2.93Å; N68-W91 VanDerWaalsContact O-NE1 3.09Å; Y71-W91 HydrophobicContact CD1-CB 4.15Å; Y71-W91 HydrophobicContact CD2-CB 4.42Å; Y71-W91 HydrophobicContact CG-CB 3.85Å; Y71-W91 AromaticContact CG-CD1 3.96Å; Y71-W91 HydrophobicContact CG-CG 4.04Å; A72-W91 HydrophobicContact CB-CH2 4.02Å; A72-W91 HydrophobicContact CB-CZ2 3.59Å; M75-W91 HydrophobicContact CB-CE3 4.31Å; M75-W91 HydrophobicContact CB-CZ3 4.03Å; M75-W91 HydrophobicContact CG-CE3 3.63Å; M75-W91 HydrophobicContact CG-CZ3 3.84Å; I87-W91 VanDerWaalsContact O-CB 3.24Å; I87-W91 WeakPolarHBondContact O-CB 3.39Å; I87-W91 PolarHBondContact O-N 3.25Å; Q88-W91 PolarHBondContact O-N 3.13Å; Q89-W91 VanDerWaalsContact C-N 3.32Å; Q89-W91 PolarHBondContact O-N 3.04Å; W91-Q93 VanDerWaalsContact C-N 3.35Å; W91-K95 VanDerWaalsContact O-CG 3.27Å; W91-K95 WeakPolarHBondContact O-CG 3.43Å; W91-K95 PolarHBondContact O-N 3.01Å
92	D	98.4	Very high	97.8	Very high	68 Å²	68	56.7 Å²	56.7	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-74.1	-26.2	176.4	-71.8	-22.2	0	0	0	112.7	Q88 Q89 M90 K95 K96	Q88-D92 PolarHBondContact NE2-OD1 3.43Å; Q88-D92 PolarHBondContact NE2-OD2 3.49Å; Q88-D92 WeakPolarHBondContact O-CB 3.32Å; Q88-D92 PolarHBondContact O-N 3.27Å; Q89-D92 PolarHBondContact O-N 2.79Å; M90-D92 VanDerWaalsContact C-N 3.26Å; M90-D92 PolarHBondContact O-N 2.79Å; D92-K95 IonicContact OD1-NZ 2.71Å; D92-K95 PolarHBondContact OD1-NZ 3.08Å; D92-K96 WeakPolarHBondContact O-CG 3.45Å
93	Q	96.5	Very high	97.8	Very high	70 Å²	70	48.9 Å²	48.9	33%	0.327	24%	0.244	S	C	.	.	H	α-helix	trans	-71.1	-49.6	167.6	-72.4	168.3	-48.7	0	0	110.5	Q89 M90 W91 K95 K96 H97 H185	Q89-Q93 PolarHBondContact O-N 3.01Å; M90-Q93 WeakPolarHBondContact O-CB 3.48Å; M90-Q93 PolarHBondContact O-N 2.83Å; W91-Q93 VanDerWaalsContact C-N 3.35Å; Q93-K95 VanDerWaalsContact C-N 3.28Å; Q93-K95 PolarHBondContact O-N 2.96Å; Q93-K96 WeakPolarHBondContact O-CA 3.32Å; Q93-K96 WeakPolarHBondContact O-CB 3.33Å; Q93-K96 PolarHBondContact O-N 3.24Å; Q93-H97 PolarHBondContact O-N 3.05Å; Q93-H185 PolarHBondContact OE1-NE2 2.77Å
94	E	97.7	Very high	97.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.1	-41.8	176.3	176.1	59.6	-134.1	0	0	112.9	E64 A67 N68 Y71 M90 K96 H97 L98	E64-E94 VanDerWaalsContact CA-OE1 3.24Å; E64-E94 WeakPolarHBondContact CA-OE1 3.44Å; A67-E94 VanDerWaalsContact CB-CD 3.49Å; A67-E94 HydrophobicContact CB-CG 4.27Å; A67-E94 WeakPolarHBondContact CB-OE2 3.5Å; N68-E94 HydrophobicContact CB-CG 3.98Å; Y71-E94 HydrophobicContact CD2-CB 4.08Å; Y71-E94 HydrophobicContact CD2-CG 3.96Å; Y71-E94 HydrophobicContact CE2-CB 4.14Å; Y71-E94 HydrophobicContact CE2-CG 4.27Å; M90-E94 PolarHBondContact O-N 3.47Å; E94-K96 PolarHBondContact O-N 3.25Å; E94-H97 WeakPolarHBondContact O-CB 3.37Å; E94-H97 PolarHBondContact O-N 3.32Å; E94-H97 VanDerWaalsContact O-N 3.1Å; E94-L98 PolarHBondContact O-N 3.41Å
95	K	98.5	Very high	97.8	Very high	75 Å²	75	48.1 Å²	48.1	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-32.1	175.2	-76	168.7	-162.4	162.1	0	112.8	N68 W91 D92 Q93 S99	N68-K95 VanDerWaalsContact ND2-CG 3.3Å; N68-K95 WeakPolarHBondContact ND2-CG 3.42Å; W91-K95 VanDerWaalsContact O-CG 3.27Å; W91-K95 WeakPolarHBondContact O-CG 3.43Å; W91-K95 PolarHBondContact O-N 3.01Å; D92-K95 IonicContact OD1-NZ 2.71Å; D92-K95 PolarHBondContact OD1-NZ 3.08Å; Q93-K95 VanDerWaalsContact C-N 3.28Å; Q93-K95 PolarHBondContact O-N 2.96Å; K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.16Å; K95-S99 PolarHBondContact O-N 3.31Å
96	K	98.2	Very high	97.6	Very high	140 Å²	140	47.7 Å²	47.7	61%	0.609	24%	0.242	S	C	*	.	H	α-helix	trans	-71.6	-40.8	176.4	-59.9	170.1	-172.4	171.8	0	110.5	D92 Q93 E94 S99 K100	D92-K96 WeakPolarHBondContact O-CG 3.45Å; Q93-K96 WeakPolarHBondContact O-CA 3.32Å; Q93-K96 WeakPolarHBondContact O-CB 3.33Å; Q93-K96 PolarHBondContact O-N 3.24Å; E94-K96 PolarHBondContact O-N 3.25Å; K96-S99 WeakPolarHBondContact O-CB 3.48Å; K96-S99 PolarHBondContact O-N 2.61Å; K96-K100 WeakPolarHBondContact O-CB 3.24Å; K96-K100 PolarHBondContact O-N 2.97Å
97	H	97.9	Very high	97.4	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-51.7	176.3	-58.1	176.4	0	0	0	111	E64 Q93 E94 S99 K100 F101 F178 D181 E182	E64-H97 HydrophobicContact CG-CB 4.12Å; E64-H97 WeakPolarHBondContact OE2-CB 3.36Å; E64-H97 IonicContact OE2-CG 2.62Å; E64-H97 IonicContact OE2-ND1 3.99Å; E64-H97 PolarHBondContact OE2-ND1 3.3Å; Q93-H97 PolarHBondContact O-N 3.05Å; E94-H97 WeakPolarHBondContact O-CB 3.37Å; E94-H97 PolarHBondContact O-N 3.32Å; E94-H97 VanDerWaalsContact O-N 3.1Å; H97-S99 VanDerWaalsContact C-N 3.32Å; H97-S99 PolarHBondContact O-N 3.29Å; H97-K100 WeakPolarHBondContact O-CB 3.36Å; H97-K100 PolarHBondContact O-N 3.37Å; H97-F101 PolarHBondContact O-N 2.83Å; H97-F178 HydrophobicContact CB-CD2 3.9Å; H97-F178 HydrophobicContact CB-CE2 3.7Å; H97-F178 HydrophobicContact CB-CG 4.45Å; H97-F178 HydrophobicContact CB-CZ 4.08Å; H97-F178 AromaticContact CD2-CD1 3.53Å; H97-F178 AromaticContact CD2-CE1 3.52Å; H97-F178 AromaticContact CD2-CG 3.89Å; H97-F178 AromaticContact CD2-CZ 3.84Å; H97-F178 AromaticContact CG-CD2 3.92Å; H97-F178 AromaticContact CG-CG 3.97Å; H97-F178 AromaticContact NE2-CD1 3.77Å; H97-D181 IonicContact CE1-OD2 3.82Å; H97-D181 IonicContact NE2-OD2 3.79Å; H97-D181 PolarHBondContact NE2-OD2 2.93Å; H97-E182 IonicContact CE1-OE1 2.77Å; H97-E182 PolarHBondContact CE1-OE1 3.1Å; H97-E182 IonicContact ND1-OE1 3.74Å; H97-E182 PolarHBondContact ND1-OE1 2.62Å
98	L	98.1	Very high	97.2	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-42.6	175.5	177.9	58.2	0	0	0	112.2	E64 Y65 N68 E94 K100 F101 N102	E64-L98 HydrophobicContact CB-CB 4.13Å; E64-L98 HydrophobicContact CB-CD1 4.29Å; Y65-L98 HydrophobicContact CD2-CD1 4.13Å; Y65-L98 HydrophobicContact CD2-CD2 3.97Å; N68-L98 HydrophobicContact CB-CD2 3.91Å; E94-L98 PolarHBondContact O-N 3.41Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.36Å; L98-F101 PolarHBondContact O-N 2.84Å; L98-N102 VanDerWaalsContact O-CG 3.27Å; L98-N102 PolarHBondContact O-N 3.34Å; L98-N102 PolarHBondContact O-ND2 3.26Å
99	S	98.3	Very high	97	Very high	59 Å²	59	59.5 Å²	59.5	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-43.8	175.3	-170.2	0	0	0	0	111.2	K95 K96 H97 N102 E103	K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.16Å; K95-S99 PolarHBondContact O-N 3.31Å; K96-S99 WeakPolarHBondContact O-CB 3.48Å; K96-S99 PolarHBondContact O-N 2.61Å; H97-S99 VanDerWaalsContact C-N 3.32Å; H97-S99 PolarHBondContact O-N 3.29Å; S99-N102 WeakPolarHBondContact O-CB 3.34Å; S99-N102 PolarHBondContact O-N 3.46Å; S99-E103 PolarHBondContact O-N 3.36Å; S99-E103 VanDerWaalsContact O-N 3.14Å
100	K	97.8	Very high	96.8	Very high	60 Å²	60	53.8 Å²	53.8	26%	0.261	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-42.8	-179.6	-173.8	58.2	-179.2	173	0	112.2	K96 H97 L98 N102 E103 I104 V174 F178	K96-K100 WeakPolarHBondContact O-CB 3.24Å; K96-K100 PolarHBondContact O-N 2.97Å; H97-K100 WeakPolarHBondContact O-CB 3.36Å; H97-K100 PolarHBondContact O-N 3.37Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.36Å; K100-N102 VanDerWaalsContact C-N 3.34Å; K100-N102 PolarHBondContact O-N 3.42Å; K100-E103 IonicContact NZ-OE2 3.71Å; K100-E103 PolarHBondContact NZ-OE2 3.23Å; K100-E103 WeakPolarHBondContact O-CB 3.36Å; K100-E103 PolarHBondContact O-N 3.45Å; K100-I104 HydrophobicContact CG-CD1 4.03Å; K100-I104 WeakPolarHBondContact O-CG1 3.49Å; K100-I104 PolarHBondContact O-N 2.93Å; K100-V174 HydrophobicContact CG-CG1 4.24Å; K100-F178 HydrophobicContact CB-CE2 4.03Å; K100-F178 HydrophobicContact CB-CZ 3.57Å; K100-F178 HydrophobicContact CG-CE2 4.24Å; K100-F178 HydrophobicContact CG-CZ 3.74Å
101	F	97.5	Very high	96.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-32	175.4	-80.6	-71.6	0	0	0	113.1	L57 D60 H61 E64 H97 L98 E103 I104 L105 Y153 F178	L57-F101 HydrophobicContact CD2-CE1 4.31Å; D60-F101 HydrophobicContact CB-CD1 3.83Å; D60-F101 HydrophobicContact CB-CD2 4.38Å; D60-F101 HydrophobicContact CB-CE1 3.35Å; D60-F101 HydrophobicContact CB-CE2 3.91Å; D60-F101 HydrophobicContact CB-CG 4.33Å; D60-F101 HydrophobicContact CB-CZ 3.4Å; H61-F101 HydrophobicContact CB-CB 4.22Å; E64-F101 HydrophobicContact CG-CD2 3.58Å; E64-F101 HydrophobicContact CG-CE2 3.87Å; H97-F101 PolarHBondContact O-N 2.83Å; L98-F101 PolarHBondContact O-N 2.84Å; F101-E103 VanDerWaalsContact C-N 3.28Å; F101-E103 PolarHBondContact O-N 2.95Å; F101-I104 HydrophobicContact CD1-CD1 4.12Å; F101-I104 HydrophobicContact CE1-CD1 4.26Å; F101-I104 PolarHBondContact O-N 3.45Å; F101-L105 HydrophobicContact CB-CD1 4.42Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 WeakPolarHBondContact O-CD1 3.34Å; F101-L105 PolarHBondContact O-N 2.85Å; F101-Y153 WeakPolarHBondContact CE2-OH 3.27Å; F101-Y153 HydrophobicContact CZ-CE1 4.2Å; F101-F178 HydrophobicContact CD2-CD2 4.25Å; F101-F178 AromaticContact CD2-CE2 3.85Å; F101-F178 HydrophobicContact CD2-CE2 3.85Å; F101-F178 AromaticContact CE2-CD2 3.52Å; F101-F178 HydrophobicContact CE2-CD2 3.52Å; F101-F178 AromaticContact CE2-CE2 3.54Å; F101-F178 HydrophobicContact CE2-CE2 3.54Å; F101-F178 HydrophobicContact CZ-CD2 4.24Å; F101-F178 HydrophobicContact CZ-CE2 4.35Å
102	N	97.6	Very high	96.5	Very high	78 Å²	78	64.1 Å²	64.1	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-42.9	171.1	-74	-43.4	0	0	0	111.5	H61 L98 S99 K100 A106	H61-N102 PolarHBondContact CD2-OD1 3.22Å; H61-N102 PolarHBondContact NE2-OD1 3.02Å; L98-N102 VanDerWaalsContact O-CG 3.27Å; L98-N102 PolarHBondContact O-N 3.34Å; L98-N102 PolarHBondContact O-ND2 3.26Å; S99-N102 WeakPolarHBondContact O-CB 3.34Å; S99-N102 PolarHBondContact O-N 3.46Å; K100-N102 VanDerWaalsContact C-N 3.34Å; K100-N102 PolarHBondContact O-N 3.42Å; N102-A106 WeakPolarHBondContact O-CB 3.48Å; N102-A106 PolarHBondContact O-N 3.25Å; N102-A106 VanDerWaalsContact O-N 3.09Å
103	E	96.9	Very high	96.4	Very high	88 Å²	88	61 Å²	61	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-51.7	174.1	-65.7	169.2	-172.7	0	0	111.2	S99 K100 F101 L105 A106 E107	S99-E103 PolarHBondContact O-N 3.36Å; S99-E103 VanDerWaalsContact O-N 3.14Å; K100-E103 IonicContact NZ-OE2 3.71Å; K100-E103 PolarHBondContact NZ-OE2 3.23Å; K100-E103 WeakPolarHBondContact O-CB 3.36Å; K100-E103 PolarHBondContact O-N 3.45Å; F101-E103 VanDerWaalsContact C-N 3.28Å; F101-E103 PolarHBondContact O-N 2.95Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.88Å; E103-A106 PolarHBondContact O-N 3.42Å; E103-A106 VanDerWaalsContact O-N 3.16Å; E103-E107 WeakPolarHBondContact O-CG 3.49Å; E103-E107 PolarHBondContact O-N 2.98Å
104	I	96.4	Very high	96.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-43.6	-178.2	-66.3	167	0	0	0	111.1	V40 V41 L57 K100 F101 N108 V174	V40-I104 HydrophobicContact CB-CG1 4.24Å; V40-I104 HydrophobicContact CG1-CD1 4.03Å; V40-I104 HydrophobicContact CG1-CG1 4.3Å; V40-I104 HydrophobicContact CG2-CG1 4.27Å; V41-I104 HydrophobicContact CG2-CG2 3.9Å; L57-I104 HydrophobicContact CD1-CG2 4.02Å; L57-I104 HydrophobicContact CD2-CG2 3.65Å; L57-I104 HydrophobicContact CG-CG2 4.38Å; K100-I104 HydrophobicContact CG-CD1 4.03Å; K100-I104 WeakPolarHBondContact O-CG1 3.49Å; K100-I104 PolarHBondContact O-N 2.93Å; F101-I104 HydrophobicContact CD1-CD1 4.12Å; F101-I104 HydrophobicContact CE1-CD1 4.26Å; F101-I104 PolarHBondContact O-N 3.45Å; I104-N108 WeakPolarHBondContact O-CB 3.24Å; I104-N108 PolarHBondContact O-N 3.1Å; I104-N108 VanDerWaalsContact O-N 3.11Å; I104-N108 PolarHBondContact O-ND2 3.31Å; I104-V174 HydrophobicContact CD1-CG1 4.3Å
105	L	95.9	Very high	96.2	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-45.3	177.5	-93.2	64.2	0	0	0	111.3	L57 H61 F101 E103 N108 R109 V110 P112	L57-L105 HydrophobicContact CB-CD1 4.02Å; L57-L105 WeakPolarHBondContact O-CD1 3.34Å; H61-L105 HydrophobicContact CB-CD1 3.81Å; H61-L105 HydrophobicContact CB-CD2 3.67Å; H61-L105 HydrophobicContact CB-CG 4.4Å; H61-L105 VanDerWaalsContact CG-CD2 3.46Å; F101-L105 HydrophobicContact CB-CD1 4.42Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 WeakPolarHBondContact O-CD1 3.34Å; F101-L105 PolarHBondContact O-N 2.85Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-N 3.04Å; L105-R109 PolarHBondContact O-N 3.07Å; L105-V110 HydrophobicContact CB-CB 4.45Å; L105-V110 HydrophobicContact CG-CB 4.04Å; L105-V110 HydrophobicContact CG-CG1 4.17Å; L105-V110 PolarHBondContact O-N 2.86Å; L105-P112 HydrophobicContact CD2-CB 4.25Å; L105-P112 HydrophobicContact CD2-CG 3.88Å
106	A	95.1	Very high	96	Very high	76 Å²	76	61.3 Å²	61.3	63%	0.628	31%	0.309	S	S	*	.	H	α-helix	trans	-62.7	-47.1	-180	0	0	0	0	0	111.7	N102 E103 N108 R109	N102-A106 WeakPolarHBondContact O-CB 3.48Å; N102-A106 PolarHBondContact O-N 3.25Å; N102-A106 VanDerWaalsContact O-N 3.09Å; E103-A106 PolarHBondContact O-N 3.42Å; E103-A106 VanDerWaalsContact O-N 3.16Å; A106-N108 VanDerWaalsContact C-N 3.27Å; A106-N108 PolarHBondContact O-N 3.34Å; A106-R109 PolarHBondContact O-N 2.82Å
107	E	93.6	Very high	95.9	Very high	83 Å²	83	59.2 Å²	59.2	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-34.9	178.7	-73	178.7	-178.9	0	0	112.9	R36 E103	R36-E107 PolarHBondContact NH2-O 3.12Å; E103-E107 WeakPolarHBondContact O-CG 3.49Å; E103-E107 PolarHBondContact O-N 2.98Å
108	N	93.5	Very high	95.8	Very high	30 Å²	30	63.2 Å²	63.2	16%	0.16	33%	0.331	C	S	.	.	H	α-helix	trans	-96.6	1.3	-176.7	-67.3	-71	0	0	0	113.5	L57 I104 L105 A106 V110	L57-N108 HydrophobicContact CD1-CB 4.5Å; I104-N108 WeakPolarHBondContact O-CB 3.24Å; I104-N108 PolarHBondContact O-N 3.1Å; I104-N108 VanDerWaalsContact O-N 3.11Å; I104-N108 PolarHBondContact O-ND2 3.31Å; L105-N108 PolarHBondContact O-N 3.04Å; A106-N108 VanDerWaalsContact C-N 3.27Å; A106-N108 PolarHBondContact O-N 3.34Å; N108-V110 HydrophobicContact CB-CG2 3.87Å; N108-V110 PolarHBondContact O-N 3.1Å
109	R	93.6	Very high	95.6	Very high	221 Å²	221	64.5 Å²	64.5	83%	0.834	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.2	-176.6	-54.6	-179.5	-179.6	-179.8	0.1	112	L105 A106	L105-R109 PolarHBondContact O-N 3.07Å; A106-R109 PolarHBondContact O-N 2.82Å
110	V	95	Very high	95.6	Very high	9 Å²	9	64.2 Å²	64.2	6%	0.055	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-85.1	128.7	174.6	179.6	0	0	0	0	107.8	H54 L57 R58 L105 N108	H54-V110 HydrophobicContact CB-CG1 4.4Å; H54-V110 HydrophobicContact CB-CG2 4.46Å; L57-V110 HydrophobicContact CB-CG1 4.47Å; L57-V110 HydrophobicContact CD1-CG2 4.05Å; R58-V110 HydrophobicContact CB-CG1 4.45Å; L105-V110 HydrophobicContact CB-CB 4.45Å; L105-V110 HydrophobicContact CG-CB 4.04Å; L105-V110 HydrophobicContact CG-CG1 4.17Å; L105-V110 PolarHBondContact O-N 2.86Å; N108-V110 HydrophobicContact CB-CG2 3.87Å; N108-V110 PolarHBondContact O-N 3.1Å
111	R	95	Very high	95.6	Very high	207 Å²	207	66.4 Å²	66.4	78%	0.781	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-80.3	133.3	173	-67.1	-178.8	177.9	175	-2	109	R58	R58-R111 PolarHBondContact NE-O 3.25Å; R58-R111 VanDerWaalsContact NE-O 3.16Å
112	P	95.6	Very high	95.6	Very high	56 Å²	56	68.5 Å²	68.5	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.7	163.7	166.6	-17.9	28.5	0	0	0	111.5	L105 L116	L105-P112 HydrophobicContact CD2-CB 4.25Å; L105-P112 HydrophobicContact CD2-CG 3.88Å; P112-L116 HydrophobicContact CB-CD1 3.35Å; P112-L116 HydrophobicContact CB-CG 4.07Å; P112-L116 HydrophobicContact CG-CD1 4.13Å
113	T	95	Very high	95.6	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.025	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.4	141.9	178.4	-177.3	0	0	0	0	111.8	A62 L115 L116 V221	A62-T113 HydrophobicContact CB-CG2 3.85Å; T113-L115 HydrophobicContact CG2-CB 4.3Å; T113-L115 PolarHBondContact O-N 2.9Å; T113-L115 VanDerWaalsContact O-N 3.1Å; T113-L115 PolarHBondContact OG1-N 3.29Å; T113-L116 HydrophobicContact CG2-CD2 4.16Å; T113-L116 HydrophobicContact CG2-CG 4Å; T113-L116 WeakPolarHBondContact O-CG 3.37Å; T113-L116 PolarHBondContact O-N 3.4Å; T113-V221 WeakPolarHBondContact CA-O 3.3Å; T113-V221 WeakPolarHBondContact CB-O 3.38Å; T113-V221 PolarHBondContact OG1-O 2.9Å
114	A	94.6	Very high	95.7	Very high	75 Å²	75	64.1 Å²	64.1	62%	0.62	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.5	172.8	0	0	0	0	0	112.8	L116 P117 V221	A114-L116 VanDerWaalsContact C-N 3.33Å; A114-P117 WeakPolarHBondContact O-CD 3.3Å; A114-V221 PolarHBondContact N-OXT 3.31Å
115	L	95.1	Very high	95.8	Very high	43 Å²	43	67.9 Å²	67.9	23%	0.225	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.1	179.5	-62.9	179.5	0	0	0	114.4	T113 P117 L118 W119 V217 V221	T113-L115 HydrophobicContact CG2-CB 4.3Å; T113-L115 PolarHBondContact O-N 2.9Å; T113-L115 VanDerWaalsContact O-N 3.1Å; T113-L115 PolarHBondContact OG1-N 3.29Å; L115-P117 VanDerWaalsContact C-CD 3.43Å; L115-P117 VanDerWaalsContact C-N 3.3Å; L115-L118 HydrophobicContact CD2-CD2 4.34Å; L115-L118 WeakPolarHBondContact O-CA 3.13Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.42Å; L115-L118 PolarHBondContact O-N 3.29Å; L115-W119 HydrophobicContact CB-CD2 4.36Å; L115-W119 HydrophobicContact CB-CZ2 3.93Å; L115-W119 HydrophobicContact CD1-CH2 4.26Å; L115-W119 HydrophobicContact CD1-CZ2 3.57Å; L115-W119 HydrophobicContact CG-CZ2 4.4Å; L115-W119 PolarHBondContact O-N 3.14Å; L115-V217 HydrophobicContact CD1-CB 4.13Å; L115-V217 HydrophobicContact CD1-CG1 3.28Å; L115-V221 HydrophobicContact CD1-CG2 3.52Å; L115-V221 HydrophobicContact CG-CG2 3.66Å
116	L	94.4	Very high	96	Very high	33 Å²	33	70 Å²	70	17%	0.173	37%	0.372	C	S	.	.	H	α-helix	trans	-49.6	-42.5	178	-83.1	-174.9	0	0	0	114.2	Y65 P112 T113 A114 L118 W119 N120	Y65-L116 HydrophobicContact CD1-CD2 3.62Å; Y65-L116 HydrophobicContact CE1-CD2 4.14Å; Y65-L116 HydrophobicContact CG-CD2 3.86Å; P112-L116 HydrophobicContact CB-CD1 3.35Å; P112-L116 HydrophobicContact CB-CG 4.07Å; P112-L116 HydrophobicContact CG-CD1 4.13Å; T113-L116 HydrophobicContact CG2-CD2 4.16Å; T113-L116 HydrophobicContact CG2-CG 4Å; T113-L116 WeakPolarHBondContact O-CG 3.37Å; T113-L116 PolarHBondContact O-N 3.4Å; A114-L116 VanDerWaalsContact C-N 3.33Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 3.05Å; L116-W119 PolarHBondContact O-N 3.39Å; L116-N120 WeakPolarHBondContact O-CB 3.44Å; L116-N120 PolarHBondContact O-N 3.37Å
117	P	96.4	Very high	96.1	Very high	95 Å²	95	66.3 Å²	66.3	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-32.6	176.8	-23.5	35.2	0	0	0	113.4	A114 L115 N120 L121	A114-P117 WeakPolarHBondContact O-CD 3.3Å; L115-P117 VanDerWaalsContact C-CD 3.43Å; L115-P117 VanDerWaalsContact C-N 3.3Å; P117-N120 WeakPolarHBondContact O-CB 3.35Å; P117-L121 PolarHBondContact O-N 3.06Å
118	L	96	Very high	96.4	Very high	88 Å²	88	63.2 Å²	63.2	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-69.4	-46.8	174.7	178	63.7	0	0	0	110.2	L115 L116 N120 L121 A122	L115-L118 HydrophobicContact CD2-CD2 4.34Å; L115-L118 WeakPolarHBondContact O-CA 3.13Å; L115-L118 VanDerWaalsContact O-CB 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.42Å; L115-L118 PolarHBondContact O-N 3.29Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 3.05Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.92Å; L118-L121 PolarHBondContact O-N 3.19Å; L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.01Å
119	W	94.9	Very high	96.6	Very high	44 Å²	44	64.3 Å²	64.3	17%	0.167	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-34.9	177.7	-53.8	152.6	0	0	0	112.6	L115 L116 L121 A122 G123 A214 S218	L115-W119 HydrophobicContact CB-CD2 4.36Å; L115-W119 HydrophobicContact CB-CZ2 3.93Å; L115-W119 HydrophobicContact CD1-CH2 4.26Å; L115-W119 HydrophobicContact CD1-CZ2 3.57Å; L115-W119 HydrophobicContact CG-CZ2 4.4Å; L115-W119 PolarHBondContact O-N 3.14Å; L116-W119 PolarHBondContact O-N 3.39Å; W119-L121 VanDerWaalsContact C-N 3.3Å; W119-L121 PolarHBondContact O-N 3.33Å; W119-A122 HydrophobicContact CE3-CB 4.47Å; W119-A122 PolarHBondContact O-N 3.48Å; W119-G123 PolarHBondContact O-N 2.91Å; W119-A214 HydrophobicContact CH2-CB 3.98Å; W119-A214 HydrophobicContact CZ2-CB 4.08Å; W119-A214 HydrophobicContact CZ3-CB 4.32Å; W119-S218 PolarHBondContact NE1-OG 3.24Å
120	N	97.2	Very high	96.8	Very high	53 Å²	53	54 Å²	54	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-55.8	-44.5	173.3	-179.7	48.8	0	0	0	112.8	Y65 R69 L116 P117 L118 F124	Y65-N120 HydrophobicContact CE1-CB 3.73Å; Y65-N120 PolarHBondContact OH-OD1 3.49Å; R69-N120 WeakPolarHBondContact CD-OD1 3.28Å; R69-N120 VanDerWaalsContact CZ-OD1 3.29Å; R69-N120 PolarHBondContact NE-O 3.4Å; R69-N120 VanDerWaalsContact NE-O 3.1Å; R69-N120 PolarHBondContact NE-OD1 2.96Å; R69-N120 PolarHBondContact NH2-O 3.25Å; R69-N120 PolarHBondContact NH2-OD1 2.83Å; L116-N120 WeakPolarHBondContact O-CB 3.44Å; L116-N120 PolarHBondContact O-N 3.37Å; P117-N120 WeakPolarHBondContact O-CB 3.35Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.92Å; N120-F124 WeakPolarHBondContact O-CB 3.15Å
121	L	98.1	Very high	97	Very high	106 Å²	106	53.6 Å²	53.6	56%	0.555	30%	0.299	S	S	*	.	H	α-helix	trans	-79.3	-49	-179.7	179.6	62.2	0	0	0	110.9	P117 L118 W119 G123 F124 V125	P117-L121 PolarHBondContact O-N 3.06Å; L118-L121 PolarHBondContact O-N 3.19Å; W119-L121 VanDerWaalsContact C-N 3.3Å; W119-L121 PolarHBondContact O-N 3.33Å; L121-G123 PolarHBondContact O-N 2.99Å; L121-F124 PolarHBondContact O-N 3.49Å; L121-V125 HydrophobicContact CD1-CG2 3.94Å; L121-V125 HydrophobicContact CG-CG2 4.35Å; L121-V125 WeakPolarHBondContact O-CB 3.36Å; L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.44Å; L121-V125 PolarHBondContact O-N 3.04Å
122	A	97.6	Very high	97.1	Very high	45 Å²	45	50 Å²	50	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-46.4	-177	0	0	0	0	0	111.9	L118 W119 V125 L126	L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.01Å; W119-A122 HydrophobicContact CE3-CB 4.47Å; W119-A122 PolarHBondContact O-N 3.48Å; A122-V125 PolarHBondContact O-N 2.89Å; A122-L126 VanDerWaalsContact O-CB 3.25Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 PolarHBondContact O-N 3.46Å
123	G	98.3	Very high	97.2	Very high	7 Å²	7	52.2 Å²	52.2	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-47.1	177.3	0	0	0	0	0	111.8	I70 W119 L121 V125 L126 G127	I70-G123 VanDerWaalsContact CA-O 3.3Å; I70-G123 WeakPolarHBondContact CA-O 3.3Å; I70-G123 VanDerWaalsContact CG1-O 3.26Å; I70-G123 WeakPolarHBondContact CG1-O 3.26Å; W119-G123 PolarHBondContact O-N 2.91Å; L121-G123 PolarHBondContact O-N 2.99Å; G123-V125 PolarHBondContact O-N 3.08Å; G123-L126 PolarHBondContact O-N 2.86Å; G123-G127 PolarHBondContact O-N 3.37Å
124	F	98.8	Very high	97.3	Very high	67 Å²	67	53 Å²	53	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-46.4	177.9	-176.9	-89.3	0	0	0	113	R69 A72 A76 N120 L121 L126 G127 A128	R69-F124 VanDerWaalsContact O-CA 3.28Å; R69-F124 WeakPolarHBondContact O-CA 3.48Å; A72-F124 HydrophobicContact CB-CD2 4.21Å; A76-F124 HydrophobicContact CB-CE2 4.19Å; A76-F124 HydrophobicContact CB-CZ 3.97Å; N120-F124 WeakPolarHBondContact O-CB 3.15Å; L121-F124 PolarHBondContact O-N 3.49Å; F124-L126 VanDerWaalsContact C-N 3.34Å; F124-G127 PolarHBondContact O-N 2.94Å; F124-A128 HydrophobicContact CE1-CB 4.45Å; F124-A128 VanDerWaalsContact O-CB 3.28Å; F124-A128 WeakPolarHBondContact O-CB 3.4Å; F124-A128 PolarHBondContact O-N 3.04Å
125	V	98.7	Very high	97.4	Very high	79 Å²	79	51.8 Å²	51.8	48%	0.479	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-43.6	178.1	169.5	0	0	0	0	110.4	L121 A122 G123 A128 S129	L121-V125 HydrophobicContact CD1-CG2 3.94Å; L121-V125 HydrophobicContact CG-CG2 4.35Å; L121-V125 WeakPolarHBondContact O-CB 3.36Å; L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.44Å; L121-V125 PolarHBondContact O-N 3.04Å; A122-V125 PolarHBondContact O-N 2.89Å; G123-V125 PolarHBondContact O-N 3.08Å; V125-A128 PolarHBondContact O-N 3.23Å; V125-S129 WeakPolarHBondContact O-CB 3.2Å; V125-S129 PolarHBondContact O-N 2.99Å; V125-S129 PolarHBondContact O-OG 3.13Å; V125-S129 VanDerWaalsContact O-OG 3.04Å
126	L	98.6	Very high	97.5	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-58.2	-55.6	176.7	177.7	61.4	0	0	0	110.4	I70 A122 G123 F124 A128 S129 T130 I207	I70-L126 HydrophobicContact CD1-CD2 4.13Å; I70-L126 HydrophobicContact CG1-CD2 4.32Å; A122-L126 VanDerWaalsContact O-CB 3.25Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 PolarHBondContact O-N 3.46Å; G123-L126 PolarHBondContact O-N 2.86Å; F124-L126 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.41Å; L126-S129 PolarHBondContact O-N 2.99Å; L126-S129 PolarHBondContact O-OG 3.1Å; L126-T130 HydrophobicContact CD1-CG2 3.97Å; L126-T130 WeakPolarHBondContact O-CG2 3.35Å; L126-T130 PolarHBondContact O-N 3.36Å; L126-T130 PolarHBondContact O-OG1 2.94Å; L126-T130 VanDerWaalsContact O-OG1 3.05Å; L126-I207 HydrophobicContact CD1-CD1 4.12Å; L126-I207 HydrophobicContact CD1-CG1 4.05Å; L126-I207 HydrophobicContact CD2-CG1 4.48Å; L126-I207 HydrophobicContact CD2-CG2 4.28Å
127	G	98.5	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-41	-179.4	0	0	0	0	0	113.9	I70 Q74 G123 F124 T130 A131	I70-G127 WeakPolarHBondContact O-CA 3.31Å; Q74-G127 WeakPolarHBondContact CG-O 3.43Å; G123-G127 PolarHBondContact O-N 3.37Å; F124-G127 PolarHBondContact O-N 2.94Å; G127-T130 PolarHBondContact O-OG1 2.94Å; G127-A131 WeakPolarHBondContact O-CB 3.34Å; G127-A131 PolarHBondContact O-N 3.3Å
128	A	98.8	Very high	97.8	Very high	17 Å²	17	46.5 Å²	46.5	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-43.6	175.2	0	0	0	0	0	111.5	G73 V77 F124 V125 L126 T130 A131 L132	G73-A128 WeakPolarHBondContact O-CA 3.35Å; V77-A128 HydrophobicContact CG2-CB 4.08Å; F124-A128 HydrophobicContact CE1-CB 4.45Å; F124-A128 VanDerWaalsContact O-CB 3.28Å; F124-A128 WeakPolarHBondContact O-CB 3.4Å; F124-A128 PolarHBondContact O-N 3.04Å; V125-A128 PolarHBondContact O-N 3.23Å; L126-A128 PolarHBondContact O-N 3.41Å; A128-T130 PolarHBondContact O-N 3.44Å; A128-A131 PolarHBondContact O-N 3.41Å; A128-L132 WeakPolarHBondContact O-CG 3.26Å; A128-L132 PolarHBondContact O-N 3.05Å
129	S	98.4	Very high	97.9	Very high	54 Å²	54	42.3 Å²	42.3	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-39.6	-178.7	70.5	0	0	0	0	112.8	V125 L126 L132	V125-S129 WeakPolarHBondContact O-CB 3.2Å; V125-S129 PolarHBondContact O-N 2.99Å; V125-S129 PolarHBondContact O-OG 3.13Å; V125-S129 VanDerWaalsContact O-OG 3.04Å; L126-S129 PolarHBondContact O-N 2.99Å; L126-S129 PolarHBondContact O-OG 3.1Å; S129-L132 WeakPolarHBondContact O-CB 3.25Å; S129-L132 PolarHBondContact O-N 3.05Å
130	T	98.1	Very high	98.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-74.9	-35.7	178.1	55.6	0	0	0	0	111.3	L126 G127 A128 L132 L133 G137 A138 C141 L203 I207	L126-T130 HydrophobicContact CD1-CG2 3.97Å; L126-T130 WeakPolarHBondContact O-CG2 3.35Å; L126-T130 PolarHBondContact O-N 3.36Å; L126-T130 PolarHBondContact O-OG1 2.94Å; L126-T130 VanDerWaalsContact O-OG1 3.05Å; G127-T130 PolarHBondContact O-OG1 2.94Å; A128-T130 PolarHBondContact O-N 3.44Å; T130-L132 VanDerWaalsContact C-N 3.28Å; T130-L132 PolarHBondContact O-N 2.95Å; T130-L133 VanDerWaalsContact O-CB 3.3Å; T130-L133 WeakPolarHBondContact O-CB 3Å; T130-L133 PolarHBondContact O-N 2.88Å; T130-G137 WeakPolarHBondContact CB-O 3.19Å; T130-G137 CarbonylContact O-C 3.59Å; T130-G137 WeakPolarHBondContact O-CA 3.49Å; T130-A138 PolarHBondContact O-N 2.77Å; T130-C141 HydrophobicContact CG2-CB 3.81Å; T130-C141 WeakPolarHBondContact OG1-CB 3.49Å; T130-L203 HydrophobicContact CG2-CD1 4.46Å; T130-L203 HydrophobicContact CG2-CD2 4.33Å; T130-I207 HydrophobicContact CG2-CD1 4.42Å
131	A	98.1	Very high	98.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-26.8	172.7	0	0	0	0	0	113.8	Q74 V77 L78 G127 A128 L133 G134 A138	Q74-A131 HydrophobicContact CB-CB 4.24Å; Q74-A131 HydrophobicContact CG-CB 4.24Å; V77-A131 HydrophobicContact CB-CB 3.79Å; V77-A131 HydrophobicContact CG1-CB 4.08Å; V77-A131 HydrophobicContact CG2-CB 4.29Å; L78-A131 HydrophobicContact CD1-CB 3.72Å; L78-A131 HydrophobicContact CG-CB 3.94Å; G127-A131 WeakPolarHBondContact O-CB 3.34Å; G127-A131 PolarHBondContact O-N 3.3Å; A128-A131 PolarHBondContact O-N 3.41Å; A131-L133 PolarHBondContact O-N 2.53Å; A131-G134 PolarHBondContact O-N 3.37Å; A131-A138 HydrophobicContact CB-CB 4.27Å
132	L	98.1	Very high	98.1	Very high	132 Å²	132	32.7 Å²	32.7	69%	0.691	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.5	170.6	-74.4	170.3	0	0	0	112.7	V77 A128 S129 T130 G134	V77-L132 HydrophobicContact CG1-CD2 3.84Å; V77-L132 HydrophobicContact CG1-CG 4.19Å; V77-L132 HydrophobicContact CG2-CD2 4.35Å; V77-L132 HydrophobicContact CG2-CG 4.27Å; A128-L132 WeakPolarHBondContact O-CG 3.26Å; A128-L132 PolarHBondContact O-N 3.05Å; S129-L132 WeakPolarHBondContact O-CB 3.25Å; S129-L132 PolarHBondContact O-N 3.05Å; T130-L132 VanDerWaalsContact C-N 3.28Å; T130-L132 PolarHBondContact O-N 2.95Å; L132-G134 PolarHBondContact O-N 3.24Å
133	L	96.8	Very high	98.2	Very high	102 Å²	102	30.5 Å²	30.5	53%	0.534	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.1	172.1	-53.2	175.6	0	0	0	112.6	T130 A131 L197 L203	T130-L133 VanDerWaalsContact O-CB 3.3Å; T130-L133 WeakPolarHBondContact O-CB 3Å; T130-L133 PolarHBondContact O-N 2.88Å; A131-L133 PolarHBondContact O-N 2.53Å; L133-L197 HydrophobicContact CB-CD1 4.3Å; L133-L203 HydrophobicContact CD1-CD2 4.5Å
134	G	96.9	Very high	98.2	Very high	22 Å²	22	30.2 Å²	30.2	23%	0.227	17%	0.167	C	C	.	.			trans	100.5	-169.2	-179.9	0	0	0	0	0	113.4	A131 L132 E136 G137 A138	A131-G134 PolarHBondContact O-N 3.37Å; L132-G134 PolarHBondContact O-N 3.24Å; G134-E136 VanDerWaalsContact C-N 3.34Å; G134-E136 PolarHBondContact O-N 3.31Å; G134-G137 PolarHBondContact O-N 3.13Å; G134-A138 PolarHBondContact O-N 2.88Å; G134-A138 VanDerWaalsContact O-N 3.13Å
135	K	97.6	Very high	98.1	Very high	48 Å²	48	27.2 Å²	27.2	21%	0.209	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-48.9	-179.9	177.2	-167.5	71.3	161.1	0	110.2	T83 G137 A138 M139 H192 D193	T83-K135 HydrophobicContact CG2-CD 4.29Å; T83-K135 HydrophobicContact CG2-CG 3.75Å; K135-G137 VanDerWaalsContact C-N 3.27Å; K135-G137 PolarHBondContact O-N 3.45Å; K135-A138 PolarHBondContact O-N 3.01Å; K135-A138 VanDerWaalsContact O-N 3.16Å; K135-M139 HydrophobicContact CG-CG 4.23Å; K135-M139 VanDerWaalsContact O-CG 3.32Å; K135-M139 WeakPolarHBondContact O-CG 3.38Å; K135-M139 PolarHBondContact O-N 3.3Å; K135-H192 WeakPolarHBondContact CE-O 3.48Å; K135-H192 PolarHBondContact NZ-O 3.36Å; K135-D193 IonicContact NZ-OD2 3.14Å; K135-D193 PolarHBondContact NZ-OD2 2.92Å
136	E	97.8	Very high	98.1	Very high	61 Å²	61	23.6 Å²	23.6	29%	0.285	13%	0.132	S	C	.	.	H	α-helix	trans	-61.3	-38.9	-176.2	-60.1	71.5	-158	0	0	110.4	G134 M139 A140 D193 L197	G134-E136 VanDerWaalsContact C-N 3.34Å; G134-E136 PolarHBondContact O-N 3.31Å; E136-M139 PolarHBondContact O-N 2.9Å; E136-A140 WeakPolarHBondContact O-CB 3.49Å; E136-A140 PolarHBondContact O-N 3.08Å; E136-D193 HydrophobicContact CG-CB 4.07Å; E136-D193 WeakPolarHBondContact CG-O 3.4Å; E136-L197 HydrophobicContact CB-CB 4.1Å; E136-L197 HydrophobicContact CB-CD1 4.36Å
137	G	98.2	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-46.8	173.9	0	0	0	0	0	113.4	T130 G134 K135 A140 C141	T130-G137 WeakPolarHBondContact CB-O 3.19Å; T130-G137 CarbonylContact O-C 3.59Å; T130-G137 WeakPolarHBondContact O-CA 3.49Å; G134-G137 PolarHBondContact O-N 3.13Å; K135-G137 VanDerWaalsContact C-N 3.27Å; K135-G137 PolarHBondContact O-N 3.45Å; G137-A140 PolarHBondContact O-N 3.05Å; G137-C141 PolarHBondContact O-N 3.42Å
138	A	98.1	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175	0	0	0	0	0	111.4	Q74 L78 T130 A131 G134 K135 A140 C141 T142	Q74-A138 HydrophobicContact CG-CB 4.15Å; Q74-A138 PolarHBondContact NE2-O 2.74Å; L78-A138 HydrophobicContact CD1-CB 3.66Å; T130-A138 PolarHBondContact O-N 2.77Å; A131-A138 HydrophobicContact CB-CB 4.27Å; G134-A138 PolarHBondContact O-N 2.88Å; G134-A138 VanDerWaalsContact O-N 3.13Å; K135-A138 PolarHBondContact O-N 3.01Å; K135-A138 VanDerWaalsContact O-N 3.16Å; A138-A140 PolarHBondContact O-N 3.4Å; A138-C141 VanDerWaalsContact O-CB 3.29Å; A138-C141 WeakPolarHBondContact O-CB 3.35Å; A138-C141 PolarHBondContact O-N 2.91Å; A138-T142 PolarHBondContact O-N 3.27Å; A138-T142 PolarHBondContact O-OG1 2.96Å
139	M	98.4	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-38.5	179.9	-61.7	-58.5	91.6	0	0	112.1	T83 L86 I87 M90 K135 E136 C141 T142 V143 H192 A194	T83-M139 HydrophobicContact CG2-CE 4.49Å; L86-M139 HydrophobicContact CD2-SD 4.25Å; I87-M139 HydrophobicContact CD1-CE 4.38Å; I87-M139 HydrophobicContact CG1-CE 3.93Å; M90-M139 HydrophobicContact CE-CE 3.95Å; M90-M139 HydrophobicContact CE-SD 4.22Å; K135-M139 HydrophobicContact CG-CG 4.23Å; K135-M139 VanDerWaalsContact O-CG 3.32Å; K135-M139 WeakPolarHBondContact O-CG 3.38Å; K135-M139 PolarHBondContact O-N 3.3Å; E136-M139 PolarHBondContact O-N 2.9Å; M139-C141 VanDerWaalsContact C-N 3.27Å; M139-C141 PolarHBondContact O-N 3.44Å; M139-T142 PolarHBondContact O-N 3.38Å; M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 3.3Å; M139-H192 HydrophobicContact CG-CB 3.81Å; M139-H192 HydrophobicContact SD-CB 3.93Å; M139-A194 HydrophobicContact CB-CB 3.89Å
140	A	98.4	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-36.1	173.3	0	0	0	0	0	112.7	E136 G137 A138 A144 A194 L197 Y200 L203	E136-A140 WeakPolarHBondContact O-CB 3.49Å; E136-A140 PolarHBondContact O-N 3.08Å; G137-A140 PolarHBondContact O-N 3.05Å; A138-A140 PolarHBondContact O-N 3.4Å; A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 3.49Å; A140-A144 VanDerWaalsContact O-N 3.12Å; A140-A194 HydrophobicContact CB-CB 4.37Å; A140-L197 HydrophobicContact CB-CD2 3.96Å; A140-Y200 HydrophobicContact CB-CD2 3.73Å; A140-Y200 HydrophobicContact CB-CE2 4.04Å; A140-L203 HydrophobicContact CB-CD2 4.27Å
141	C	98.4	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-48.2	173.2	-172.5	0	0	0	0	111.7	T130 G137 A138 M139 A144 V145 I207	T130-C141 HydrophobicContact CG2-CB 3.81Å; T130-C141 WeakPolarHBondContact OG1-CB 3.49Å; G137-C141 PolarHBondContact O-N 3.42Å; A138-C141 VanDerWaalsContact O-CB 3.29Å; A138-C141 WeakPolarHBondContact O-CB 3.35Å; A138-C141 PolarHBondContact O-N 2.91Å; M139-C141 VanDerWaalsContact C-N 3.27Å; M139-C141 PolarHBondContact O-N 3.44Å; C141-A144 PolarHBondContact O-N 2.79Å; C141-V145 VanDerWaalsContact O-CG2 3.25Å; C141-V145 WeakPolarHBondContact O-CG2 3.44Å; C141-V145 PolarHBondContact O-N 2.72Å; C141-I207 HydrophobicContact CB-CD1 4.16Å
142	T	98.1	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-54.6	176.4	-65.4	0	0	0	0	110.2	Y71 Q74 M90 A138 M139 A144 V145 E146	Y71-T142 WeakPolarHBondContact OH-CG2 3.43Å; Q74-T142 PolarHBondContact NE2-OG1 2.76Å; M90-T142 HydrophobicContact SD-CG2 4.31Å; A138-T142 PolarHBondContact O-N 3.27Å; A138-T142 PolarHBondContact O-OG1 2.96Å; M139-T142 PolarHBondContact O-N 3.38Å; T142-A144 VanDerWaalsContact C-N 3.31Å; T142-A144 PolarHBondContact O-N 3.29Å; T142-V145 PolarHBondContact O-N 3.24Å; T142-V145 VanDerWaalsContact O-N 3.08Å; T142-E146 HydrophobicContact CG2-CG 3.86Å; T142-E146 VanDerWaalsContact O-CG 3.29Å; T142-E146 WeakPolarHBondContact O-CG 3.04Å; T142-E146 PolarHBondContact O-N 3.04Å
143	V	98.4	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-50.8	-48.3	176.7	168.6	0	0	0	0	112.4	M139 V145 E147 H186 L190 A194 Y200	M139-V143 VanDerWaalsContact O-CG2 3.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 3.3Å; V143-V145 VanDerWaalsContact C-N 3.35Å; V143-V145 PolarHBondContact O-N 2.81Å; V143-E147 VanDerWaalsContact O-CB 3.26Å; V143-E147 WeakPolarHBondContact O-CB 3.35Å; V143-E147 PolarHBondContact O-N 3.49Å; V143-E147 VanDerWaalsContact O-N 3.1Å; V143-H186 WeakPolarHBondContact CG2-O 3.38Å; V143-L190 HydrophobicContact CG1-CD2 4.04Å; V143-L190 HydrophobicContact CG2-CD2 3.99Å; V143-L190 HydrophobicContact CG2-CG 4.07Å; V143-A194 HydrophobicContact CG2-CB 3.76Å; V143-Y200 HydrophobicContact CG1-CE2 4.46Å; V143-Y200 WeakPolarHBondContact CG1-OH 3.42Å
144	A	98.3	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-36.3	-177.6	0	0	0	0	0	113.3	A140 C141 T142 S148 K204 I207 Q208	A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 3.49Å; A140-A144 VanDerWaalsContact O-N 3.12Å; C141-A144 PolarHBondContact O-N 2.79Å; T142-A144 VanDerWaalsContact C-N 3.31Å; T142-A144 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-N 3.05Å; A144-S148 PolarHBondContact O-OG 3.41Å; A144-K204 HydrophobicContact CB-CB 4.23Å; A144-K204 HydrophobicContact CB-CG 3.9Å; A144-I207 HydrophobicContact CB-CB 3.83Å; A144-I207 HydrophobicContact CB-CD1 4.27Å; A144-I207 HydrophobicContact CB-CG2 3.7Å; A144-Q208 HydrophobicContact CB-CG 4.31Å; A144-Q208 WeakPolarHBondContact O-CG 3.18Å
145	V	98	Very high	97.8	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.03	10%	0.102	C	C	.	.	H	α-helix	trans	-76.5	-49.7	-179	173.8	0	0	0	0	110	A67 I70 C141 T142 V143 E147 S148 I149 I207	A67-V145 HydrophobicContact CB-CG1 4.49Å; I70-V145 HydrophobicContact CD1-CG1 4.09Å; I70-V145 HydrophobicContact CD1-CG2 3.81Å; C141-V145 VanDerWaalsContact O-CG2 3.25Å; C141-V145 WeakPolarHBondContact O-CG2 3.44Å; C141-V145 PolarHBondContact O-N 2.72Å; T142-V145 PolarHBondContact O-N 3.24Å; T142-V145 VanDerWaalsContact O-N 3.08Å; V143-V145 VanDerWaalsContact C-N 3.35Å; V143-V145 PolarHBondContact O-N 2.81Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.47Å; V145-S148 CarbonylContact O-C 3.58Å; V145-S148 WeakPolarHBondContact O-CA 3.33Å; V145-S148 VanDerWaalsContact O-CB 3.26Å; V145-S148 WeakPolarHBondContact O-CB 3.29Å; V145-S148 PolarHBondContact O-N 3.17Å; V145-I149 HydrophobicContact CG1-CD1 3.83Å; V145-I149 HydrophobicContact CG1-CG1 4.34Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.05Å; V145-I207 HydrophobicContact CG2-CG2 3.65Å
146	E	97.4	Very high	97.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-68.5	-32.3	-175.7	-52.1	-26.9	153.7	0	0	112.2	Y71 T142 S148 I149 S150 E182 H185 H186	Y71-E146 PolarHBondContact OH-OE1 2.88Å; T142-E146 HydrophobicContact CG2-CG 3.86Å; T142-E146 VanDerWaalsContact O-CG 3.29Å; T142-E146 WeakPolarHBondContact O-CG 3.04Å; T142-E146 PolarHBondContact O-N 3.04Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 2.9Å; E146-I149 PolarHBondContact O-N 3.42Å; E146-S150 WeakPolarHBondContact O-CB 3.34Å; E146-S150 PolarHBondContact O-N 2.81Å; E146-S150 PolarHBondContact O-OG 3.42Å; E146-E182 HydrophobicContact CB-CB 4.37Å; E146-E182 WeakPolarHBondContact CB-O 3.38Å; E146-H185 HydrophobicContact CG-CB 3.73Å; E146-H186 HydrophobicContact CB-CB 4.07Å
147	E	98	Very high	97.7	Very high	52 Å²	52	15.5 Å²	15.5	24%	0.243	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-40.4	169.3	-171.9	177.3	-178.8	0	0	111.3	V143 V145 S150 E151 K204 Q208	V143-E147 VanDerWaalsContact O-CB 3.26Å; V143-E147 WeakPolarHBondContact O-CB 3.35Å; V143-E147 PolarHBondContact O-N 3.49Å; V143-E147 VanDerWaalsContact O-N 3.1Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.47Å; E147-S150 PolarHBondContact O-N 3.26Å; E147-E151 WeakPolarHBondContact O-CB 3.41Å; E147-E151 WeakPolarHBondContact O-CG 3.27Å; E147-E151 PolarHBondContact O-N 3.34Å; E147-K204 IonicContact OE1-NZ 3.22Å; E147-K204 WeakPolarHBondContact OE2-CE 3.5Å; E147-K204 IonicContact OE2-NZ 2.63Å; E147-K204 PolarHBondContact OE2-NZ 3.1Å; E147-Q208 VanDerWaalsContact CD-NE2 3.26Å; E147-Q208 PolarHBondContact OE2-NE2 3.23Å
148	S	97.7	Very high	97.7	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-40	178.1	-58.6	0	0	0	0	112.2	A144 V145 E146 H152 Q208	A144-S148 PolarHBondContact O-N 3.05Å; A144-S148 PolarHBondContact O-OG 3.41Å; V145-S148 CarbonylContact O-C 3.58Å; V145-S148 WeakPolarHBondContact O-CA 3.33Å; V145-S148 VanDerWaalsContact O-CB 3.26Å; V145-S148 WeakPolarHBondContact O-CB 3.29Å; V145-S148 PolarHBondContact O-N 3.17Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 2.9Å; S148-H152 PolarHBondContact O-N 2.91Å; S148-H152 VanDerWaalsContact O-N 3.1Å; S148-Q208 WeakPolarHBondContact OG-CG 3.46Å
149	I	96.6	Very high	97.6	Very high	15 Å²	15	24.8 Å²	24.8	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-45.3	177.1	-63.6	178.2	0	0	0	109.7	A67 V145 E146 E151 H152 Y153 E182	A67-I149 HydrophobicContact CB-CD1 4.01Å; V145-I149 HydrophobicContact CG1-CD1 3.83Å; V145-I149 HydrophobicContact CG1-CG1 4.34Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.05Å; E146-I149 PolarHBondContact O-N 3.42Å; I149-E151 PolarHBondContact O-N 2.8Å; I149-H152 CarbonylContact O-C 3.58Å; I149-H152 WeakPolarHBondContact O-CA 3.27Å; I149-H152 VanDerWaalsContact O-CB 3.24Å; I149-H152 WeakPolarHBondContact O-CB 3.48Å; I149-H152 PolarHBondContact O-N 3.09Å; I149-Y153 HydrophobicContact CG2-CD2 3.75Å; I149-Y153 HydrophobicContact CG2-CE2 3.37Å; I149-Y153 PolarHBondContact O-N 2.98Å; I149-E182 HydrophobicContact CB-CG 4.33Å; I149-E182 HydrophobicContact CG2-CG 3.77Å
150	S	97.1	Very high	97.4	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-43.5	175.1	-65.6	0	0	0	0	112.7	E146 E147 H152 Y153 N154 E182	E146-S150 WeakPolarHBondContact O-CB 3.34Å; E146-S150 PolarHBondContact O-N 2.81Å; E146-S150 PolarHBondContact O-OG 3.42Å; E147-S150 PolarHBondContact O-N 3.26Å; S150-H152 VanDerWaalsContact C-N 3.27Å; S150-H152 PolarHBondContact O-N 3.33Å; S150-Y153 PolarHBondContact O-N 2.99Å; S150-N154 WeakPolarHBondContact O-CB 3.3Å; S150-N154 PolarHBondContact O-N 3.05Å; S150-N154 PolarHBondContact O-ND2 3.2Å; S150-E182 VanDerWaalsContact OG-CB 3.32Å; S150-E182 WeakPolarHBondContact OG-CB 3.29Å
151	E	97	Very high	97.3	Very high	80 Å²	80	29.7 Å²	29.7	37%	0.374	15%	0.152	S	C	.	.	H	α-helix	trans	-60	-39.2	172.9	-81.1	-174.4	172.1	0	0	111.7	E147 I149 S155 K212	E147-E151 WeakPolarHBondContact O-CB 3.41Å; E147-E151 WeakPolarHBondContact O-CG 3.27Å; E147-E151 PolarHBondContact O-N 3.34Å; I149-E151 PolarHBondContact O-N 2.8Å; E151-S155 PolarHBondContact O-N 3.48Å; E151-S155 PolarHBondContact O-OG 3.39Å; E151-K212 IonicContact OE2-NZ 2.86Å
152	H	96.7	Very high	97.1	Very high	28 Å²	28	37.5 Å²	37.5	13%	0.13	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-51.3	176.9	-169.7	61.2	0	0	0	111.2	V59 D60 S148 I149 S150 N154 S155 Q156 I215	V59-H152 VanDerWaalsContact CG1-NE2 3.3Å; V59-H152 WeakPolarHBondContact CG1-NE2 3.34Å; D60-H152 IonicContact OD1-CD2 2.84Å; D60-H152 IonicContact OD1-NE2 2.75Å; S148-H152 PolarHBondContact O-N 2.91Å; S148-H152 VanDerWaalsContact O-N 3.1Å; I149-H152 CarbonylContact O-C 3.58Å; I149-H152 WeakPolarHBondContact O-CA 3.27Å; I149-H152 VanDerWaalsContact O-CB 3.24Å; I149-H152 WeakPolarHBondContact O-CB 3.48Å; I149-H152 PolarHBondContact O-N 3.09Å; S150-H152 VanDerWaalsContact C-N 3.27Å; S150-H152 PolarHBondContact O-N 3.33Å; H152-N154 PolarHBondContact O-N 3.39Å; H152-S155 WeakPolarHBondContact O-CA 3.47Å; H152-S155 WeakPolarHBondContact O-CB 3.33Å; H152-S155 PolarHBondContact O-N 3.26Å; H152-Q156 PolarHBondContact CD2-NE2 3.09Å; H152-Q156 VanDerWaalsContact CD2-NE2 3.31Å; H152-Q156 PolarHBondContact NE2-NE2 3.27Å; H152-Q156 PolarHBondContact O-N 3.49Å; H152-I215 HydrophobicContact CB-CD1 4.2Å
153	Y	98.1	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-42.3	177.1	-73.3	-40.1	0	0	0	112.7	D60 E64 F101 I149 S150 S155 Q156 I157 I175 F178 R179 E182	D60-Y153 HydrophobicContact CB-CE1 4.38Å; D60-Y153 WeakPolarHBondContact OD1-CE1 3.42Å; E64-Y153 PolarHBondContact OE1-OH 3.4Å; F101-Y153 WeakPolarHBondContact CE2-OH 3.27Å; F101-Y153 HydrophobicContact CZ-CE1 4.2Å; I149-Y153 HydrophobicContact CG2-CD2 3.75Å; I149-Y153 HydrophobicContact CG2-CE2 3.37Å; I149-Y153 PolarHBondContact O-N 2.98Å; S150-Y153 PolarHBondContact O-N 2.99Å; Y153-S155 PolarHBondContact O-N 2.86Å; Y153-Q156 PolarHBondContact O-N 3Å; Y153-Q156 VanDerWaalsContact O-N 3.1Å; Y153-I157 WeakPolarHBondContact O-CB 3.14Å; Y153-I157 VanDerWaalsContact O-CG1 3.27Å; Y153-I157 WeakPolarHBondContact O-CG1 3.42Å; Y153-I157 PolarHBondContact O-N 2.97Å; Y153-I175 HydrophobicContact CD1-CB 4.46Å; Y153-I175 HydrophobicContact CD1-CG2 3.49Å; Y153-I175 VanDerWaalsContact CD1-CG2 3.49Å; Y153-I175 HydrophobicContact CE1-CG2 4.28Å; Y153-I175 HydrophobicContact CG-CG2 3.85Å; Y153-F178 HydrophobicContact CE2-CB 3.92Å; Y153-R179 HydrophobicContact CD2-CB 4.06Å; Y153-R179 HydrophobicContact CG-CB 4.31Å; Y153-E182 HydrophobicContact CD2-CG 4.44Å; Y153-E182 HydrophobicContact CE2-CG 4.18Å
154	N	98.1	Very high	96.5	Very high	50 Å²	50	42.3 Å²	42.3	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-32.8	174.3	-80.6	-43.4	0	0	0	113	S150 H152 R158 R179	S150-N154 WeakPolarHBondContact O-CB 3.3Å; S150-N154 PolarHBondContact O-N 3.05Å; S150-N154 PolarHBondContact O-ND2 3.2Å; H152-N154 PolarHBondContact O-N 3.39Å; N154-R158 WeakPolarHBondContact O-CG 3.41Å; N154-R158 PolarHBondContact O-N 2.98Å; N154-R158 PolarHBondContact O-NE 3.01Å; N154-R179 WeakPolarHBondContact OD1-CD 3.3Å
155	S	96.9	Very high	96.2	Very high	62 Å²	62	45.2 Å²	45.2	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-72.2	-39.8	174.9	-58.3	0	0	0	0	111.5	E151 H152 Y153 A159	E151-S155 PolarHBondContact O-N 3.48Å; E151-S155 PolarHBondContact O-OG 3.39Å; H152-S155 WeakPolarHBondContact O-CA 3.47Å; H152-S155 WeakPolarHBondContact O-CB 3.33Å; H152-S155 PolarHBondContact O-N 3.26Å; Y153-S155 PolarHBondContact O-N 2.86Å; S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.1Å
156	Q	96.6	Very high	96	Very high	8 Å²	8	53 Å²	53	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-44.8	175.9	-65.6	-165.9	13.6	0	0	113	M56 D60 H152 Y153 R158 A159 L160	M56-Q156 HydrophobicContact CE-CB 3.94Å; M56-Q156 HydrophobicContact CE-CG 3.89Å; M56-Q156 HydrophobicContact CG-CG 4.11Å; M56-Q156 HydrophobicContact SD-CB 4.31Å; M56-Q156 HydrophobicContact SD-CG 4.26Å; M56-Q156 PolarHBondContact SD-OE1 3.09Å; D60-Q156 VanDerWaalsContact CG-NE2 3.28Å; D60-Q156 PolarHBondContact OD1-NE2 3.33Å; D60-Q156 PolarHBondContact OD2-NE2 2.83Å; D60-Q156 PolarHBondContact OD2-OE1 3.42Å; H152-Q156 PolarHBondContact CD2-NE2 3.09Å; H152-Q156 VanDerWaalsContact CD2-NE2 3.31Å; H152-Q156 PolarHBondContact NE2-NE2 3.27Å; H152-Q156 PolarHBondContact O-N 3.49Å; Y153-Q156 PolarHBondContact O-N 3Å; Y153-Q156 VanDerWaalsContact O-N 3.1Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.2Å; Q156-A159 PolarHBondContact O-N 3.27Å; Q156-A159 VanDerWaalsContact O-N 3.12Å; Q156-L160 WeakPolarHBondContact O-CB 3.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.47Å; Q156-L160 PolarHBondContact O-N 2.85Å
157	I	97.9	Very high	95.8	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-54.7	-47.2	176.8	-70.4	163.4	0	0	0	109.6	Y153 L160 M161 L172 I175 K176	Y153-I157 WeakPolarHBondContact O-CB 3.14Å; Y153-I157 VanDerWaalsContact O-CG1 3.27Å; Y153-I157 WeakPolarHBondContact O-CG1 3.42Å; Y153-I157 PolarHBondContact O-N 2.97Å; I157-L160 PolarHBondContact O-N 3.2Å; I157-M161 HydrophobicContact CG2-CG 4.29Å; I157-M161 HydrophobicContact CG2-SD 3.83Å; I157-M161 VanDerWaalsContact O-CB 3.3Å; I157-M161 WeakPolarHBondContact O-CB 3.45Å; I157-M161 VanDerWaalsContact O-CG 3.24Å; I157-M161 WeakPolarHBondContact O-CG 3.42Å; I157-M161 PolarHBondContact O-N 3.04Å; I157-L172 HydrophobicContact CB-CD2 4.31Å; I157-L172 HydrophobicContact CG1-CD2 4.31Å; I157-L172 HydrophobicContact CG2-CD2 4.08Å; I157-I175 HydrophobicContact CD1-CG2 3.92Å; I157-I175 HydrophobicContact CG1-CB 4.43Å; I157-I175 HydrophobicContact CG1-CG2 3.61Å; I157-K176 HydrophobicContact CD1-CG 3.69Å; I157-K176 HydrophobicContact CG1-CG 4.24Å
158	R	97.5	Very high	95.6	Very high	148 Å²	148	52.8 Å²	52.8	56%	0.558	27%	0.271	S	S	*	.	H	α-helix	trans	-57.8	-50.7	175.7	-78.2	-178.5	-89.8	-173.1	-5.5	111.8	N154 Q156 L160 M161 E162	N154-R158 WeakPolarHBondContact O-CG 3.41Å; N154-R158 PolarHBondContact O-N 2.98Å; N154-R158 PolarHBondContact O-NE 3.01Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.2Å; R158-L160 PolarHBondContact O-N 2.83Å; R158-M161 PolarHBondContact O-N 3.42Å; R158-E162 WeakPolarHBondContact O-CB 3.36Å; R158-E162 WeakPolarHBondContact O-CG 3.4Å; R158-E162 PolarHBondContact O-N 3.39Å
159	A	95.2	Very high	95.5	Very high	47 Å²	47	56 Å²	56	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-40.4	-179.9	0	0	0	0	0	113.3	S155 Q156 S163	S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.1Å; Q156-A159 PolarHBondContact O-N 3.27Å; Q156-A159 VanDerWaalsContact O-N 3.12Å; A159-S163 WeakPolarHBondContact O-CB 3.46Å; A159-S163 PolarHBondContact O-N 2.88Å; A159-S163 VanDerWaalsContact O-N 3.1Å
160	L	95.5	Very high	95.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-40.3	178.1	-68.7	175.1	0	0	0	111.8	M53 M56 Q156 I157 R158 S163 D164 Y168 L171 L172 I175	M53-L160 HydrophobicContact CE-CD2 3.99Å; M53-L160 HydrophobicContact SD-CD2 4.34Å; M56-L160 HydrophobicContact CE-CD2 4.16Å; M56-L160 HydrophobicContact CE-CG 4.14Å; M56-L160 HydrophobicContact SD-CD1 4.08Å; M56-L160 HydrophobicContact SD-CD2 4.11Å; M56-L160 HydrophobicContact SD-CG 4.22Å; Q156-L160 WeakPolarHBondContact O-CB 3.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.47Å; Q156-L160 PolarHBondContact O-N 2.85Å; I157-L160 PolarHBondContact O-N 3.2Å; R158-L160 PolarHBondContact O-N 2.83Å; L160-S163 PolarHBondContact O-N 3.34Å; L160-D164 PolarHBondContact O-N 3.41Å; L160-Y168 HydrophobicContact CB-CD2 4.39Å; L160-Y168 HydrophobicContact CD2-CD1 4.07Å; L160-Y168 HydrophobicContact CD2-CD2 3.78Å; L160-Y168 HydrophobicContact CD2-CE1 4.34Å; L160-Y168 HydrophobicContact CD2-CE2 4.08Å; L160-Y168 HydrophobicContact CD2-CG 3.78Å; L160-L171 HydrophobicContact CD1-CD2 3.91Å; L160-L171 HydrophobicContact CD1-CG 4.2Å; L160-L172 HydrophobicContact CB-CD1 4.49Å; L160-L172 HydrophobicContact CB-CD2 3.76Å; L160-L172 HydrophobicContact CB-CG 4.13Å; L160-L172 HydrophobicContact CD1-CD2 4.04Å; L160-L172 HydrophobicContact CD1-CG 4.26Å; L160-I175 HydrophobicContact CD1-CD1 3.81Å
161	M	95.6	Very high	95.4	Very high	103 Å²	103	59 Å²	59	51%	0.507	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-37.5	175.8	-76.3	-174.4	61.9	0	0	112.9	I157 R158 S163 P165 L172	I157-M161 HydrophobicContact CG2-CG 4.29Å; I157-M161 HydrophobicContact CG2-SD 3.83Å; I157-M161 VanDerWaalsContact O-CB 3.3Å; I157-M161 WeakPolarHBondContact O-CB 3.45Å; I157-M161 VanDerWaalsContact O-CG 3.24Å; I157-M161 WeakPolarHBondContact O-CG 3.42Å; I157-M161 PolarHBondContact O-N 3.04Å; R158-M161 PolarHBondContact O-N 3.42Å; M161-S163 VanDerWaalsContact C-N 3.33Å; M161-P165 WeakPolarHBondContact O-CD 3.24Å; M161-L172 HydrophobicContact CG-CD1 4.32Å; M161-L172 HydrophobicContact CG-CD2 4.23Å
162	E	94.9	Very high	95.4	Very high	164 Å²	164	55.6 Å²	55.6	77%	0.766	29%	0.287	S	S	*	.	H	α-helix	trans	-71.9	-28.8	175.2	-73.3	172.5	-170.7	0	0	112.3	R158	R158-E162 WeakPolarHBondContact O-CB 3.36Å; R158-E162 WeakPolarHBondContact O-CG 3.4Å; R158-E162 PolarHBondContact O-N 3.39Å
163	S	91.5	Very high	95.4	Very high	54 Å²	54	60.4 Å²	60.4	38%	0.378	31%	0.31	S	S	.	.	H	α-helix	trans	-77.8	-63	-179.8	179.4	0	0	0	0	112.7	A159 L160 M161	A159-S163 WeakPolarHBondContact O-CB 3.46Å; A159-S163 PolarHBondContact O-N 2.88Å; A159-S163 VanDerWaalsContact O-N 3.1Å; L160-S163 PolarHBondContact O-N 3.34Å; M161-S163 VanDerWaalsContact C-N 3.33Å
164	D	92.8	Very high	95.4	Very high	46 Å²	46	61.1 Å²	61.1	25%	0.246	31%	0.314	C	S	.	.			trans	-171.5	84.2	-173.6	-167.2	-19.7	0	0	0	110	R45 L160 E166 R167 Y168	R45-D164 IonicContact NH1-OD2 3.2Å; L160-D164 PolarHBondContact O-N 3.41Å; D164-E166 VanDerWaalsContact C-N 3.34Å; D164-E166 PolarHBondContact O-N 3.23Å; D164-R167 HydrophobicContact CB-CB 4Å; D164-R167 PolarHBondContact O-N 2.9Å; D164-R167 WeakPolarHBondContact OD1-CB 3.49Å; D164-R167 PolarHBondContact OD1-N 3.4Å; D164-R167 WeakPolarHBondContact OD2-CB 3.4Å; D164-Y168 HydrophobicContact CB-CD2 4.39Å; D164-Y168 HydrophobicContact CB-CE2 4.2Å; D164-Y168 WeakPolarHBondContact O-CD2 3.35Å; D164-Y168 PolarHBondContact O-N 3.2Å
165	P	91.6	Very high	95.4	Very high	62 Å²	62	58.7 Å²	58.7	40%	0.403	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-35.8	-169.4	23.6	-31.3	0	0	0	113.1	M161 R167 Y168 T169 L172	M161-P165 WeakPolarHBondContact O-CD 3.24Å; P165-R167 VanDerWaalsContact C-N 3.28Å; P165-R167 PolarHBondContact O-N 3.12Å; P165-Y168 PolarHBondContact O-N 3.46Å; P165-T169 PolarHBondContact O-N 3.22Å; P165-T169 PolarHBondContact O-OG1 3.32Å; P165-L172 HydrophobicContact CB-CD1 4.41Å
166	E	93.4	Very high	95.4	Very high	168 Å²	168	59.4 Å²	59.4	79%	0.785	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-37.1	179.8	-65.3	-175	177.6	0	0	111.2	D164 T169	D164-E166 VanDerWaalsContact C-N 3.34Å; D164-E166 PolarHBondContact O-N 3.23Å; E166-T169 PolarHBondContact O-OG1 3.37Å
167	R	93.2	Very high	95.5	Very high	50 Å²	50	64 Å²	64	19%	0.189	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-28	-177.5	-179.3	153.5	177.6	-103.2	-8	114.3	P42 A43 E49 D164 P165	P42-R167 HydrophobicContact CB-CG 4Å; P42-R167 HydrophobicContact CG-CG 3.81Å; P42-R167 WeakPolarHBondContact CG-O 3.37Å; A43-R167 PolarHBondContact O-NH2 3.19Å; E49-R167 IonicContact OE1-CZ 3.12Å; E49-R167 IonicContact OE1-NH1 3.65Å; E49-R167 PolarHBondContact OE1-NH1 2.79Å; E49-R167 IonicContact OE1-NH2 2.79Å; E49-R167 PolarHBondContact OE1-NH2 3.34Å; E49-R167 IonicContact OE2-CZ 3.75Å; E49-R167 IonicContact OE2-NH1 3.67Å; E49-R167 PolarHBondContact OE2-NH1 3.38Å; E49-R167 IonicContact OE2-NH2 3.37Å; D164-R167 HydrophobicContact CB-CB 4Å; D164-R167 PolarHBondContact O-N 2.9Å; D164-R167 WeakPolarHBondContact OD1-CB 3.49Å; D164-R167 PolarHBondContact OD1-N 3.4Å; D164-R167 WeakPolarHBondContact OD2-CB 3.4Å; P165-R167 VanDerWaalsContact C-N 3.28Å; P165-R167 PolarHBondContact O-N 3.12Å
168	Y	94.8	Very high	95.5	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	21.3	179	-58.9	-68.7	0	0	0	112.5	P42 E49 M53 L160 D164 P165 E170 L171 L172	P42-Y168 HydrophobicContact CG-CD1 3.63Å; P42-Y168 HydrophobicContact CG-CE1 3.56Å; E49-Y168 WeakPolarHBondContact CG-OH 3.4Å; E49-Y168 PolarHBondContact OE1-OH 3.05Å; M53-Y168 HydrophobicContact SD-CD1 4.39Å; M53-Y168 HydrophobicContact SD-CE1 3.81Å; L160-Y168 HydrophobicContact CB-CD2 4.39Å; L160-Y168 HydrophobicContact CD2-CD1 4.07Å; L160-Y168 HydrophobicContact CD2-CD2 3.78Å; L160-Y168 HydrophobicContact CD2-CE1 4.34Å; L160-Y168 HydrophobicContact CD2-CE2 4.08Å; L160-Y168 HydrophobicContact CD2-CG 3.78Å; D164-Y168 HydrophobicContact CB-CD2 4.39Å; D164-Y168 HydrophobicContact CB-CE2 4.2Å; D164-Y168 WeakPolarHBondContact O-CD2 3.35Å; D164-Y168 PolarHBondContact O-N 3.2Å; P165-Y168 PolarHBondContact O-N 3.46Å; Y168-E170 VanDerWaalsContact C-N 3.33Å; Y168-E170 PolarHBondContact O-N 3.17Å; Y168-L171 PolarHBondContact O-N 3.21Å; Y168-L172 VanDerWaalsContact O-CB 3.26Å; Y168-L172 WeakPolarHBondContact O-CB 3.46Å; Y168-L172 WeakPolarHBondContact O-CG 3.5Å; Y168-L172 PolarHBondContact O-N 3.48Å
169	T	94.9	Very high	95.5	Very high	71 Å²	71	59 Å²	59	44%	0.436	30%	0.299	S	S	.	.	H	α-helix	trans	-52.3	-48.7	-173.7	-62.6	0	0	0	0	112.5	P165 E166 L172 Q173	P165-T169 PolarHBondContact O-N 3.22Å; P165-T169 PolarHBondContact O-OG1 3.32Å; E166-T169 PolarHBondContact O-OG1 3.37Å; T169-L172 PolarHBondContact O-N 3.32Å; T169-Q173 PolarHBondContact O-N 3Å
170	E	95.1	Very high	95.7	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-44.1	-177.7	-64.7	79.8	179.2	0	0	111.8	Y168 Q173 V174	Y168-E170 VanDerWaalsContact C-N 3.33Å; Y168-E170 PolarHBondContact O-N 3.17Å; E170-Q173 PolarHBondContact O-N 3.12Å; E170-V174 WeakPolarHBondContact O-CG2 3.41Å; E170-V174 PolarHBondContact O-N 2.85Å; E170-V174 VanDerWaalsContact O-N 3.13Å
171	L	95.9	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-42.5	176.2	-179.5	61.8	0	0	0	111.5	V40 V41 M53 L57 L160 Y168 Q173 V174 I175	V40-L171 HydrophobicContact CG1-CB 4.16Å; V40-L171 HydrophobicContact CG1-CD1 4.04Å; V40-L171 WeakPolarHBondContact O-CB 3.3Å; V40-L171 PolarHBondContact O-N 2.88Å; V41-L171 HydrophobicContact CG2-CD1 4.32Å; V41-L171 HydrophobicContact CG2-CD2 4.34Å; M53-L171 HydrophobicContact SD-CD2 4.27Å; L57-L171 HydrophobicContact CD2-CD1 4.14Å; L160-L171 HydrophobicContact CD1-CD2 3.91Å; L160-L171 HydrophobicContact CD1-CG 4.2Å; Y168-L171 PolarHBondContact O-N 3.21Å; L171-Q173 VanDerWaalsContact C-N 3.25Å; L171-Q173 PolarHBondContact O-N 2.8Å; L171-V174 PolarHBondContact O-N 2.82Å; L171-I175 HydrophobicContact CD1-CD1 3.84Å; L171-I175 HydrophobicContact CD1-CG1 4.12Å; L171-I175 HydrophobicContact CD2-CD1 4.28Å; L171-I175 HydrophobicContact CG-CD1 3.68Å; L171-I175 HydrophobicContact CG-CG1 4.35Å; L171-I175 WeakPolarHBondContact O-CB 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.13Å
172	L	97.3	Very high	95.9	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-37.8	175.3	-82.7	169.7	0	0	0	111.4	I157 L160 M161 P165 Y168 T169 K176	I157-L172 HydrophobicContact CB-CD2 4.31Å; I157-L172 HydrophobicContact CG1-CD2 4.31Å; I157-L172 HydrophobicContact CG2-CD2 4.08Å; L160-L172 HydrophobicContact CB-CD1 4.49Å; L160-L172 HydrophobicContact CB-CD2 3.76Å; L160-L172 HydrophobicContact CB-CG 4.13Å; L160-L172 HydrophobicContact CD1-CD2 4.04Å; L160-L172 HydrophobicContact CD1-CG 4.26Å; M161-L172 HydrophobicContact CG-CD1 4.32Å; M161-L172 HydrophobicContact CG-CD2 4.23Å; P165-L172 HydrophobicContact CB-CD1 4.41Å; Y168-L172 VanDerWaalsContact O-CB 3.26Å; Y168-L172 WeakPolarHBondContact O-CB 3.46Å; Y168-L172 WeakPolarHBondContact O-CG 3.5Å; Y168-L172 PolarHBondContact O-N 3.48Å; T169-L172 PolarHBondContact O-N 3.32Å; L172-K176 VanDerWaalsContact O-CB 3.29Å; L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 WeakPolarHBondContact O-CD 3.29Å; L172-K176 WeakPolarHBondContact O-CG 3.2Å; L172-K176 PolarHBondContact O-N 3.44Å
173	Q	97.4	Very high	96	Very high	129 Å²	129	53.2 Å²	53.2	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-64.7	-48.8	176.4	-174.9	175.5	-0.4	0	0	111.1	T169 E170 L171 I175 K176 E177	T169-Q173 PolarHBondContact O-N 3Å; E170-Q173 PolarHBondContact O-N 3.12Å; L171-Q173 VanDerWaalsContact C-N 3.25Å; L171-Q173 PolarHBondContact O-N 2.8Å; Q173-I175 PolarHBondContact O-N 2.97Å; Q173-K176 PolarHBondContact O-N 3.01Å; Q173-E177 WeakPolarHBondContact O-CB 3.38Å; Q173-E177 PolarHBondContact O-N 3.43Å
174	V	97.4	Very high	96.3	Very high	16 Å²	16	55.3 Å²	55.3	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-47.8	177.8	173.3	0	0	0	0	111.3	V40 K100 I104 E170 L171 K176 E177 F178	V40-V174 HydrophobicContact CG1-CG2 4.1Å; K100-V174 HydrophobicContact CG-CG1 4.24Å; I104-V174 HydrophobicContact CD1-CG1 4.3Å; E170-V174 WeakPolarHBondContact O-CG2 3.41Å; E170-V174 PolarHBondContact O-N 2.85Å; E170-V174 VanDerWaalsContact O-N 3.13Å; L171-V174 PolarHBondContact O-N 2.82Å; V174-K176 VanDerWaalsContact C-N 3.31Å; V174-K176 PolarHBondContact O-N 3.48Å; V174-E177 PolarHBondContact O-N 2.98Å; V174-F178 HydrophobicContact CG1-CD2 4.37Å; V174-F178 HydrophobicContact CG1-CE1 4.42Å; V174-F178 HydrophobicContact CG1-CE2 4.06Å; V174-F178 HydrophobicContact CG1-CZ 4.08Å; V174-F178 PolarHBondContact O-N 2.81Å
175	I	97.7	Very high	96.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-36.6	-179.3	-68	169.9	0	0	0	111.5	Y153 I157 L160 L171 Q173 R179	Y153-I175 HydrophobicContact CD1-CB 4.46Å; Y153-I175 HydrophobicContact CD1-CG2 3.49Å; Y153-I175 VanDerWaalsContact CD1-CG2 3.49Å; Y153-I175 HydrophobicContact CE1-CG2 4.28Å; Y153-I175 HydrophobicContact CG-CG2 3.85Å; I157-I175 HydrophobicContact CD1-CG2 3.92Å; I157-I175 HydrophobicContact CG1-CB 4.43Å; I157-I175 HydrophobicContact CG1-CG2 3.61Å; L160-I175 HydrophobicContact CD1-CD1 3.81Å; L171-I175 HydrophobicContact CD1-CD1 3.84Å; L171-I175 HydrophobicContact CD1-CG1 4.12Å; L171-I175 HydrophobicContact CD2-CD1 4.28Å; L171-I175 HydrophobicContact CG-CD1 3.68Å; L171-I175 HydrophobicContact CG-CG1 4.35Å; L171-I175 WeakPolarHBondContact O-CB 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.13Å; Q173-I175 PolarHBondContact O-N 2.97Å; I175-R179 VanDerWaalsContact O-CB 3.26Å; I175-R179 WeakPolarHBondContact O-CB 3.24Å; I175-R179 PolarHBondContact O-N 3.32Å
176	K	98.2	Very high	96.8	Very high	77 Å²	77	51.7 Å²	51.7	34%	0.335	25%	0.25	S	S	.	.	H	α-helix	trans	-67.8	-44.4	176.3	-77.4	169.8	-176.1	177.5	0	111.8	I157 L172 Q173 V174 R179 D180	I157-K176 HydrophobicContact CD1-CG 3.69Å; I157-K176 HydrophobicContact CG1-CG 4.24Å; L172-K176 VanDerWaalsContact O-CB 3.29Å; L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 WeakPolarHBondContact O-CD 3.29Å; L172-K176 WeakPolarHBondContact O-CG 3.2Å; L172-K176 PolarHBondContact O-N 3.44Å; Q173-K176 PolarHBondContact O-N 3.01Å; V174-K176 VanDerWaalsContact C-N 3.31Å; V174-K176 PolarHBondContact O-N 3.48Å; K176-R179 PolarHBondContact O-N 2.96Å; K176-D180 PolarHBondContact O-N 3.24Å
177	E	98.1	Very high	97	Very high	104 Å²	104	46.9 Å²	46.9	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-56.8	-50.7	176.3	-177.7	178.5	167.9	0	0	110.3	Q173 V174 R179 D180 D181	Q173-E177 WeakPolarHBondContact O-CB 3.38Å; Q173-E177 PolarHBondContact O-N 3.43Å; V174-E177 PolarHBondContact O-N 2.98Å; E177-R179 PolarHBondContact O-N 3.4Å; E177-D180 PolarHBondContact O-N 2.94Å; E177-D180 VanDerWaalsContact O-N 3.13Å; E177-D181 PolarHBondContact O-N 3.24Å
178	F	98	Very high	97.2	Very high	11 Å²	11	46.1 Å²	46.1	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-40	-178.5	-69	3.4	0	0	0	112.3	H97 K100 F101 Y153 V174 D180 D181 E182	H97-F178 HydrophobicContact CB-CD2 3.9Å; H97-F178 HydrophobicContact CB-CE2 3.7Å; H97-F178 HydrophobicContact CB-CG 4.45Å; H97-F178 HydrophobicContact CB-CZ 4.08Å; H97-F178 AromaticContact CD2-CD1 3.53Å; H97-F178 AromaticContact CD2-CE1 3.52Å; H97-F178 AromaticContact CD2-CG 3.89Å; H97-F178 AromaticContact CD2-CZ 3.84Å; H97-F178 AromaticContact CG-CD2 3.92Å; H97-F178 AromaticContact CG-CG 3.97Å; H97-F178 AromaticContact NE2-CD1 3.77Å; K100-F178 HydrophobicContact CB-CE2 4.03Å; K100-F178 HydrophobicContact CB-CZ 3.57Å; K100-F178 HydrophobicContact CG-CE2 4.24Å; K100-F178 HydrophobicContact CG-CZ 3.74Å; F101-F178 HydrophobicContact CD2-CD2 4.25Å; F101-F178 AromaticContact CD2-CE2 3.85Å; F101-F178 HydrophobicContact CD2-CE2 3.85Å; F101-F178 AromaticContact CE2-CD2 3.52Å; F101-F178 HydrophobicContact CE2-CD2 3.52Å; F101-F178 AromaticContact CE2-CE2 3.54Å; F101-F178 HydrophobicContact CE2-CE2 3.54Å; F101-F178 HydrophobicContact CZ-CD2 4.24Å; F101-F178 HydrophobicContact CZ-CE2 4.35Å; Y153-F178 HydrophobicContact CE2-CB 3.92Å; V174-F178 HydrophobicContact CG1-CD2 4.37Å; V174-F178 HydrophobicContact CG1-CE1 4.42Å; V174-F178 HydrophobicContact CG1-CE2 4.06Å; V174-F178 HydrophobicContact CG1-CZ 4.08Å; V174-F178 PolarHBondContact O-N 2.81Å; F178-D180 PolarHBondContact O-N 3.15Å; F178-D181 PolarHBondContact O-N 3.22Å; F178-E182 VanDerWaalsContact O-CG 3.24Å; F178-E182 WeakPolarHBondContact O-CG 3.46Å; F178-E182 PolarHBondContact O-N 3.01Å
179	R	98.2	Very high	97.3	Very high	42 Å²	42	46.1 Å²	46.1	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-42.3	171.8	177.5	-148.9	56.5	-161.1	-8	111.8	Y153 N154 I175 K176 E177 E182 M183	Y153-R179 HydrophobicContact CD2-CB 4.06Å; Y153-R179 HydrophobicContact CG-CB 4.31Å; N154-R179 WeakPolarHBondContact OD1-CD 3.3Å; I175-R179 VanDerWaalsContact O-CB 3.26Å; I175-R179 WeakPolarHBondContact O-CB 3.24Å; I175-R179 PolarHBondContact O-N 3.32Å; K176-R179 PolarHBondContact O-N 2.96Å; E177-R179 PolarHBondContact O-N 3.4Å; R179-E182 PolarHBondContact O-N 3.3Å; R179-M183 WeakPolarHBondContact O-CG 3.4Å; R179-M183 PolarHBondContact O-N 3Å
180	D	98.2	Very high	97.3	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-68.2	-41.5	-179.6	-64.5	-13.8	0	0	0	110.4	K176 E177 F178 E182 M183 D184	K176-D180 PolarHBondContact O-N 3.24Å; E177-D180 PolarHBondContact O-N 2.94Å; E177-D180 VanDerWaalsContact O-N 3.13Å; F178-D180 PolarHBondContact O-N 3.15Å; D180-E182 PolarHBondContact O-N 2.94Å; D180-M183 PolarHBondContact O-N 3.3Å; D180-D184 PolarHBondContact O-N 3.49Å
181	D	97.8	Very high	97.4	Very high	40 Å²	40	48.7 Å²	48.7	21%	0.214	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-40.9	173.2	-73.4	-10.9	0	0	0	112.3	H97 E177 F178 M183 D184 H185	H97-D181 IonicContact CE1-OD2 3.82Å; H97-D181 IonicContact NE2-OD2 3.79Å; H97-D181 PolarHBondContact NE2-OD2 2.93Å; E177-D181 PolarHBondContact O-N 3.24Å; F178-D181 PolarHBondContact O-N 3.22Å; D181-M183 VanDerWaalsContact C-N 3.34Å; D181-M183 PolarHBondContact O-N 3.12Å; D181-D184 WeakPolarHBondContact O-CB 3.34Å; D181-D184 PolarHBondContact O-N 2.95Å; D181-H185 PolarHBondContact O-CD2 2.84Å; D181-H185 PolarHBondContact O-N 3.38Å
182	E	97.6	Very high	97.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-37.2	175.4	-65.8	-35.9	141.9	0	0	112.1	H97 E146 I149 S150 Y153 F178 R179 D180 D184 H185 H186	H97-E182 IonicContact CE1-OE1 2.77Å; H97-E182 PolarHBondContact CE1-OE1 3.1Å; H97-E182 IonicContact ND1-OE1 3.74Å; H97-E182 PolarHBondContact ND1-OE1 2.62Å; E146-E182 HydrophobicContact CB-CB 4.37Å; E146-E182 WeakPolarHBondContact CB-O 3.38Å; I149-E182 HydrophobicContact CB-CG 4.33Å; I149-E182 HydrophobicContact CG2-CG 3.77Å; S150-E182 VanDerWaalsContact OG-CB 3.32Å; S150-E182 WeakPolarHBondContact OG-CB 3.29Å; Y153-E182 HydrophobicContact CD2-CG 4.44Å; Y153-E182 HydrophobicContact CE2-CG 4.18Å; F178-E182 VanDerWaalsContact O-CG 3.24Å; F178-E182 WeakPolarHBondContact O-CG 3.46Å; F178-E182 PolarHBondContact O-N 3.01Å; R179-E182 PolarHBondContact O-N 3.3Å; D180-E182 PolarHBondContact O-N 2.94Å; E182-D184 VanDerWaalsContact C-N 3.34Å; E182-H185 PolarHBondContact O-N 3.23Å; E182-H185 IonicContact OE2-ND1 2.81Å; E182-H186 WeakPolarHBondContact O-CB 3.26Å; E182-H186 PolarHBondContact O-N 2.79Å
183	M	97.9	Very high	97.2	Very high	82 Å²	82	54.6 Å²	54.6	40%	0.404	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-37.7	174.7	-73.8	-172.1	61.1	0	0	111.4	R179 D180 D181 H185 H186 D187	R179-M183 WeakPolarHBondContact O-CG 3.4Å; R179-M183 PolarHBondContact O-N 3Å; D180-M183 PolarHBondContact O-N 3.3Å; D181-M183 VanDerWaalsContact C-N 3.34Å; D181-M183 PolarHBondContact O-N 3.12Å; M183-H185 VanDerWaalsContact C-N 3.35Å; M183-H186 WeakPolarHBondContact O-CB 3.5Å; M183-H186 PolarHBondContact O-N 2.92Å; M183-D187 WeakPolarHBondContact O-CB 3.39Å; M183-D187 PolarHBondContact O-N 3.42Å
184	D	97.9	Very high	96.8	Very high	97 Å²	97	48.4 Å²	48.4	52%	0.519	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-38.4	173.9	-76.4	-7.6	0	0	0	111.7	D180 D181 E182 T188	D180-D184 PolarHBondContact O-N 3.49Å; D181-D184 WeakPolarHBondContact O-CB 3.34Å; D181-D184 PolarHBondContact O-N 2.95Å; E182-D184 VanDerWaalsContact C-N 3.34Å; D184-T188 VanDerWaalsContact O-CB 3.3Å; D184-T188 WeakPolarHBondContact O-CB 3.29Å; D184-T188 PolarHBondContact O-N 3.46Å; D184-T188 PolarHBondContact O-OG1 3.26Å
185	H	97	Very high	96.7	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-42.9	173.6	-70.4	178.9	0	0	0	112.3	M90 Q93 E146 D181 E182 M183 T188 G189	M90-H185 HydrophobicContact SD-CB 4.41Å; Q93-H185 PolarHBondContact OE1-NE2 2.77Å; E146-H185 HydrophobicContact CG-CB 3.73Å; D181-H185 PolarHBondContact O-CD2 2.84Å; D181-H185 PolarHBondContact O-N 3.38Å; E182-H185 PolarHBondContact O-N 3.23Å; E182-H185 IonicContact OE2-ND1 2.81Å; M183-H185 VanDerWaalsContact C-N 3.35Å; H185-T188 WeakPolarHBondContact O-CB 3.13Å; H185-T188 PolarHBondContact O-N 3.41Å; H185-G189 PolarHBondContact O-N 3.25Å
186	H	97.5	Very high	96.4	Very high	30 Å²	30	56.7 Å²	56.7	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-52.4	172.9	165.9	-84.6	0	0	0	111	V143 E146 E182 M183 T188 G189 L190	V143-H186 WeakPolarHBondContact CG2-O 3.38Å; E146-H186 HydrophobicContact CB-CB 4.07Å; E182-H186 WeakPolarHBondContact O-CB 3.26Å; E182-H186 PolarHBondContact O-N 2.79Å; M183-H186 WeakPolarHBondContact O-CB 3.5Å; M183-H186 PolarHBondContact O-N 2.92Å; H186-T188 VanDerWaalsContact C-N 3.33Å; H186-T188 PolarHBondContact O-N 3.48Å; H186-G189 WeakPolarHBondContact O-CA 3.34Å; H186-G189 PolarHBondContact O-N 3.22Å; H186-L190 WeakPolarHBondContact CE1-CD1 3.23Å; H186-L190 PolarHBondContact O-N 3.02Å
187	D	97.8	Very high	96.3	Very high	68 Å²	68	54 Å²	54	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-39.7	-177.7	-72.6	-4.7	0	0	0	111	M183 G189 L190 E191	M183-D187 WeakPolarHBondContact O-CB 3.39Å; M183-D187 PolarHBondContact O-N 3.42Å; D187-G189 VanDerWaalsContact C-N 3.27Å; D187-G189 PolarHBondContact O-N 2.91Å; D187-L190 WeakPolarHBondContact O-CB 2.79Å; D187-L190 PolarHBondContact O-N 3.13Å; D187-L190 VanDerWaalsContact O-N 3.1Å; D187-E191 WeakPolarHBondContact O-CG 3.26Å; D187-E191 PolarHBondContact O-N 3.16Å
188	T	96.5	Very high	96.1	Very high	34 Å²	34	54.8 Å²	54.8	21%	0.209	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-42.7	171.1	-62.7	0	0	0	0	111.5	L86 M90 D184 H185 H186 E191 H192	L86-T188 HydrophobicContact CD1-CG2 3.83Å; L86-T188 HydrophobicContact CD2-CG2 4.4Å; L86-T188 HydrophobicContact CG-CG2 4.42Å; M90-T188 HydrophobicContact SD-CG2 3.88Å; D184-T188 VanDerWaalsContact O-CB 3.3Å; D184-T188 WeakPolarHBondContact O-CB 3.29Å; D184-T188 PolarHBondContact O-N 3.46Å; D184-T188 PolarHBondContact O-OG1 3.26Å; H185-T188 WeakPolarHBondContact O-CB 3.13Å; H185-T188 PolarHBondContact O-N 3.41Å; H186-T188 VanDerWaalsContact C-N 3.33Å; H186-T188 PolarHBondContact O-N 3.48Å; T188-E191 PolarHBondContact O-N 2.96Å; T188-H192 WeakPolarHBondContact O-CB 3.22Å; T188-H192 PolarHBondContact O-N 3.06Å; T188-H192 VanDerWaalsContact O-N 3.09Å; T188-H192 PolarHBondContact O-ND1 3.49Å
189	G	95.9	Very high	96	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-41.3	176.6	0	0	0	0	0	112.8	H185 H186 D187 H192 A194	H185-G189 PolarHBondContact O-N 3.25Å; H186-G189 WeakPolarHBondContact O-CA 3.34Å; H186-G189 PolarHBondContact O-N 3.22Å; D187-G189 VanDerWaalsContact C-N 3.27Å; D187-G189 PolarHBondContact O-N 2.91Å; G189-H192 CarbonylContact O-C 3.6Å; G189-H192 PolarHBondContact O-N 3.43Å; G189-A194 WeakPolarHBondContact O-CB 3.4Å; G189-A194 PolarHBondContact O-N 2.78Å
190	L	96	Very high	95.9	Very high	58 Å²	58	55 Å²	55	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-46	174.9	-67.3	179.6	0	0	0	112	V143 H186 D187 H192 D193 E195	V143-L190 HydrophobicContact CG1-CD2 4.04Å; V143-L190 HydrophobicContact CG2-CD2 3.99Å; V143-L190 HydrophobicContact CG2-CG 4.07Å; H186-L190 WeakPolarHBondContact CE1-CD1 3.23Å; H186-L190 PolarHBondContact O-N 3.02Å; D187-L190 WeakPolarHBondContact O-CB 2.79Å; D187-L190 PolarHBondContact O-N 3.13Å; D187-L190 VanDerWaalsContact O-N 3.1Å; L190-H192 PolarHBondContact O-N 3.37Å; L190-D193 PolarHBondContact O-N 3.32Å; L190-E195 HydrophobicContact CD2-CG 3.83Å
191	E	96.5	Very high	95.8	Very high	152 Å²	152	59 Å²	59	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-61.2	-25.7	177.4	-71.1	-179.7	173	0	0	112.9	D187 T188	D187-E191 WeakPolarHBondContact O-CG 3.26Å; D187-E191 PolarHBondContact O-N 3.16Å; T188-E191 PolarHBondContact O-N 2.96Å
192	H	94.9	Very high	95.7	Very high	61 Å²	61	63.7 Å²	63.7	28%	0.282	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	33.6	179.8	-69.6	82.5	0	0	0	113.7	L86 K135 M139 T188 G189 L190	L86-H192 HydrophobicContact CD2-CB 4.26Å; L86-H192 WeakPolarHBondContact CD2-CD2 3.25Å; L86-H192 WeakPolarHBondContact CD2-NE2 3.12Å; K135-H192 WeakPolarHBondContact CE-O 3.48Å; K135-H192 PolarHBondContact NZ-O 3.36Å; M139-H192 HydrophobicContact CG-CB 3.81Å; M139-H192 HydrophobicContact SD-CB 3.93Å; T188-H192 WeakPolarHBondContact O-CB 3.22Å; T188-H192 PolarHBondContact O-N 3.06Å; T188-H192 VanDerWaalsContact O-N 3.09Å; T188-H192 PolarHBondContact O-ND1 3.49Å; G189-H192 CarbonylContact O-C 3.6Å; G189-H192 PolarHBondContact O-N 3.43Å; L190-H192 PolarHBondContact O-N 3.37Å
193	D	93.8	Very high	95.7	Very high	71 Å²	71	65.7 Å²	65.7	38%	0.38	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	29.1	169.8	-56.7	-64.8	0	0	0	115.3	K135 E136 L190 E195 S196	K135-D193 IonicContact NZ-OD2 3.14Å; K135-D193 PolarHBondContact NZ-OD2 2.92Å; E136-D193 HydrophobicContact CG-CB 4.07Å; E136-D193 WeakPolarHBondContact CG-O 3.4Å; L190-D193 PolarHBondContact O-N 3.32Å; D193-E195 PolarHBondContact O-N 3.38Å; D193-S196 WeakPolarHBondContact O-CB 3.24Å; D193-S196 PolarHBondContact O-N 3.35Å; D193-S196 VanDerWaalsContact O-N 3.11Å
194	A	90.3	Very high	95.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-52.1	-43.3	173.8	0	0	0	0	0	112.9	M139 A140 V143 G189 S196 L197 Y200	M139-A194 HydrophobicContact CB-CB 3.89Å; A140-A194 HydrophobicContact CB-CB 4.37Å; V143-A194 HydrophobicContact CG2-CB 3.76Å; G189-A194 WeakPolarHBondContact O-CB 3.4Å; G189-A194 PolarHBondContact O-N 2.78Å; A194-S196 PolarHBondContact O-N 2.85Å; A194-L197 PolarHBondContact O-N 3.5Å; A194-Y200 HydrophobicContact CB-CE2 4.18Å; A194-Y200 VanDerWaalsContact O-CD2 3.23Å; A194-Y200 WeakPolarHBondContact O-CD2 3.45Å
195	E	94.4	Very high	95.6	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-72.8	-14.8	-176.7	-55.9	-159.5	122.5	0	0	113.6	L190 D193 L197 Y200	L190-E195 HydrophobicContact CD2-CG 3.83Å; D193-E195 PolarHBondContact O-N 3.38Å; E195-L197 PolarHBondContact O-N 2.88Å; E195-Y200 HydrophobicContact CB-CD1 4.32Å; E195-Y200 HydrophobicContact CB-CE1 4.31Å; E195-Y200 HydrophobicContact CG-CD1 4.25Å; E195-Y200 HydrophobicContact CG-CE1 3.74Å; E195-Y200 HydrophobicContact CG-CE2 4.44Å
196	S	92.9	Very high	95.7	Very high	77 Å²	77	64.8 Å²	64.8	54%	0.538	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-75.4	-10.1	177.6	-62	0	0	0	0	112.7	D193 A194 P198	D193-S196 WeakPolarHBondContact O-CB 3.24Å; D193-S196 PolarHBondContact O-N 3.35Å; D193-S196 VanDerWaalsContact O-N 3.11Å; A194-S196 PolarHBondContact O-N 2.85Å; S196-P198 WeakPolarHBondContact O-CD 3.43Å
197	L	94.7	Very high	95.7	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.105	35%	0.351	C	S	.	.	S	Bend	trans	-67	126.1	176.4	-176.3	73.8	0	0	0	111.2	L133 E136 A140 A194 E195 G199 Y200 L203	L133-L197 HydrophobicContact CB-CD1 4.3Å; E136-L197 HydrophobicContact CB-CB 4.1Å; E136-L197 HydrophobicContact CB-CD1 4.36Å; A140-L197 HydrophobicContact CB-CD2 3.96Å; A194-L197 PolarHBondContact O-N 3.5Å; E195-L197 PolarHBondContact O-N 2.88Å; L197-G199 PolarHBondContact O-N 3.48Å; L197-G199 VanDerWaalsContact O-N 3.15Å; L197-Y200 VanDerWaalsContact O-CB 3.29Å; L197-Y200 WeakPolarHBondContact O-CB 3.22Å; L197-Y200 PolarHBondContact O-N 3.05Å; L197-L203 HydrophobicContact CD2-CD2 3.46Å; L197-L203 VanDerWaalsContact CD2-CD2 3.46Å
198	P	94.9	Very high	95.7	Very high	121 Å²	121	61.5 Å²	61.5	79%	0.786	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	121.7	170.9	-25.4	35.6	0	0	0	111.5	S196	S196-P198 WeakPolarHBondContact O-CD 3.43Å
199	G	95.2	Very high	95.8	Very high	50 Å²	50	65.7 Å²	65.7	52%	0.515	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	17.5	-176.1	0	0	0	0	0	114.6	L197 W201 L202 L203	L197-G199 PolarHBondContact O-N 3.48Å; L197-G199 VanDerWaalsContact O-N 3.15Å; G199-W201 VanDerWaalsContact C-N 3.34Å; G199-W201 PolarHBondContact O-N 2.97Å; G199-L202 WeakPolarHBondContact O-CA 3.48Å; G199-L202 WeakPolarHBondContact O-CB 3.3Å; G199-L202 PolarHBondContact O-N 3.32Å; G199-L203 PolarHBondContact O-N 2.88Å
200	Y	96	Very high	95.8	Very high	6 Å²	6	67.7 Å²	67.7	2%	0.024	38%	0.378	C	S	.	.	H	α-helix	trans	-40.1	-56.2	176.3	166.8	-109.8	0	0	0	113.6	A140 V143 A194 E195 L197 L202 L203 K204	A140-Y200 HydrophobicContact CB-CD2 3.73Å; A140-Y200 HydrophobicContact CB-CE2 4.04Å; V143-Y200 HydrophobicContact CG1-CE2 4.46Å; V143-Y200 WeakPolarHBondContact CG1-OH 3.42Å; A194-Y200 HydrophobicContact CB-CE2 4.18Å; A194-Y200 VanDerWaalsContact O-CD2 3.23Å; A194-Y200 WeakPolarHBondContact O-CD2 3.45Å; E195-Y200 HydrophobicContact CB-CD1 4.32Å; E195-Y200 HydrophobicContact CB-CE1 4.31Å; E195-Y200 HydrophobicContact CG-CD1 4.25Å; E195-Y200 HydrophobicContact CG-CE1 3.74Å; E195-Y200 HydrophobicContact CG-CE2 4.44Å; L197-Y200 VanDerWaalsContact O-CB 3.29Å; L197-Y200 WeakPolarHBondContact O-CB 3.22Å; L197-Y200 PolarHBondContact O-N 3.05Å; Y200-L202 VanDerWaalsContact C-N 3.27Å; Y200-L202 PolarHBondContact O-N 3.43Å; Y200-L203 PolarHBondContact O-N 3.35Å; Y200-K204 HydrophobicContact CE1-CD 4.15Å; Y200-K204 HydrophobicContact CE2-CB 4.43Å; Y200-K204 HydrophobicContact CE2-CD 4.27Å; Y200-K204 VanDerWaalsContact O-CB 3.29Å; Y200-K204 WeakPolarHBondContact O-CB 3.46Å; Y200-K204 PolarHBondContact O-N 2.99Å
201	W	95.8	Very high	95.8	Very high	157 Å²	157	66.1 Å²	66.1	60%	0.595	37%	0.372	S	S	*	.	H	α-helix	trans	-59.9	-35.2	-179.2	-70.9	104	0	0	0	113.4	G199 K204 N205	G199-W201 VanDerWaalsContact C-N 3.34Å; G199-W201 PolarHBondContact O-N 2.97Å; W201-K204 HydrophobicContact CE3-CD 4.41Å; W201-K204 HydrophobicContact CZ3-CD 4.37Å; W201-N205 VanDerWaalsContact O-CB 3.27Å; W201-N205 WeakPolarHBondContact O-CB 3.32Å; W201-N205 VanDerWaalsContact O-CG 3.22Å; W201-N205 PolarHBondContact O-N 3.23Å; W201-N205 PolarHBondContact O-ND2 3.01Å
202	L	97.1	Very high	95.8	Very high	139 Å²	139	63.9 Å²	63.9	73%	0.728	36%	0.36	S	S	*	.	H	α-helix	trans	-69.1	-47.3	177.5	-179.2	65.1	0	0	0	110.6	G199 Y200 A206	G199-L202 WeakPolarHBondContact O-CA 3.48Å; G199-L202 WeakPolarHBondContact O-CB 3.3Å; G199-L202 PolarHBondContact O-N 3.32Å; Y200-L202 VanDerWaalsContact C-N 3.27Å; Y200-L202 PolarHBondContact O-N 3.43Å; L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 3.48Å
203	L	96.7	Very high	95.8	Very high	41 Å²	41	63.6 Å²	63.6	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-49.3	177.8	179.7	62.7	0	0	0	111	T130 L133 A140 L197 G199 Y200 N205 A206 I207	T130-L203 HydrophobicContact CG2-CD1 4.46Å; T130-L203 HydrophobicContact CG2-CD2 4.33Å; L133-L203 HydrophobicContact CD1-CD2 4.5Å; A140-L203 HydrophobicContact CB-CD2 4.27Å; L197-L203 HydrophobicContact CD2-CD2 3.46Å; L197-L203 VanDerWaalsContact CD2-CD2 3.46Å; G199-L203 PolarHBondContact O-N 2.88Å; Y200-L203 PolarHBondContact O-N 3.35Å; L203-N205 PolarHBondContact O-N 3.34Å; L203-A206 PolarHBondContact O-N 3.23Å; L203-I207 HydrophobicContact CD1-CD1 3.83Å; L203-I207 HydrophobicContact CD1-CG1 4.19Å; L203-I207 HydrophobicContact CD2-CD1 4.48Å; L203-I207 HydrophobicContact CG-CD1 3.81Å; L203-I207 HydrophobicContact CG-CG1 4.49Å; L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 2.96Å
204	K	97.1	Very high	95.7	Very high	15 Å²	15	61.4 Å²	61.4	7%	0.065	36%	0.36	C	S	.	.	H	α-helix	trans	-54.4	-53.9	178	175	175	176.1	171.1	0	111.3	A144 E147 Y200 W201 A206 I207 Q208	A144-K204 HydrophobicContact CB-CB 4.23Å; A144-K204 HydrophobicContact CB-CG 3.9Å; E147-K204 IonicContact OE1-NZ 3.22Å; E147-K204 WeakPolarHBondContact OE2-CE 3.5Å; E147-K204 IonicContact OE2-NZ 2.63Å; E147-K204 PolarHBondContact OE2-NZ 3.1Å; Y200-K204 HydrophobicContact CE1-CD 4.15Å; Y200-K204 HydrophobicContact CE2-CB 4.43Å; Y200-K204 HydrophobicContact CE2-CD 4.27Å; Y200-K204 VanDerWaalsContact O-CB 3.29Å; Y200-K204 WeakPolarHBondContact O-CB 3.46Å; Y200-K204 PolarHBondContact O-N 2.99Å; W201-K204 HydrophobicContact CE3-CD 4.41Å; W201-K204 HydrophobicContact CZ3-CD 4.37Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 3.48Å; K204-I207 PolarHBondContact O-N 3.34Å; K204-Q208 HydrophobicContact CG-CG 4.43Å; K204-Q208 WeakPolarHBondContact O-CB 3.44Å; K204-Q208 WeakPolarHBondContact O-CG 3.48Å; K204-Q208 PolarHBondContact O-N 3.26Å
205	N	97.4	Very high	95.8	Very high	89 Å²	89	63.2 Å²	63.2	48%	0.476	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-37.9	-179.9	-76.1	-45.9	0	0	0	112.5	W201 L203 L209	W201-N205 VanDerWaalsContact O-CB 3.27Å; W201-N205 WeakPolarHBondContact O-CB 3.32Å; W201-N205 VanDerWaalsContact O-CG 3.22Å; W201-N205 PolarHBondContact O-N 3.23Å; W201-N205 PolarHBondContact O-ND2 3.01Å; L203-N205 PolarHBondContact O-N 3.34Å; N205-L209 WeakPolarHBondContact O-CB 3.47Å; N205-L209 PolarHBondContact O-N 3.31Å
206	A	98.1	Very high	95.8	Very high	59 Å²	59	64.3 Å²	64.3	49%	0.488	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-43.5	176.9	0	0	0	0	0	111.8	L202 L203 K204 L209 G210	L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 3.48Å; L203-A206 PolarHBondContact O-N 3.23Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 3.48Å; A206-L209 PolarHBondContact O-N 3.06Å; A206-G210 PolarHBondContact O-N 3.1Å
207	I	97.9	Very high	95.8	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-48.3	176.3	-68	171.9	0	0	0	110.3	L126 T130 C141 A144 V145 L203 K204 L209 G210 C211	L126-I207 HydrophobicContact CD1-CD1 4.12Å; L126-I207 HydrophobicContact CD1-CG1 4.05Å; L126-I207 HydrophobicContact CD2-CG1 4.48Å; L126-I207 HydrophobicContact CD2-CG2 4.28Å; T130-I207 HydrophobicContact CG2-CD1 4.42Å; C141-I207 HydrophobicContact CB-CD1 4.16Å; A144-I207 HydrophobicContact CB-CB 3.83Å; A144-I207 HydrophobicContact CB-CD1 4.27Å; A144-I207 HydrophobicContact CB-CG2 3.7Å; V145-I207 HydrophobicContact CG2-CG2 3.65Å; L203-I207 HydrophobicContact CD1-CD1 3.83Å; L203-I207 HydrophobicContact CD1-CG1 4.19Å; L203-I207 HydrophobicContact CD2-CD1 4.48Å; L203-I207 HydrophobicContact CG-CD1 3.81Å; L203-I207 HydrophobicContact CG-CG1 4.49Å; L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 2.96Å; K204-I207 PolarHBondContact O-N 3.34Å; I207-L209 VanDerWaalsContact C-N 3.29Å; I207-L209 PolarHBondContact O-N 3.37Å; I207-G210 CarbonylContact O-C 3.52Å; I207-G210 WeakPolarHBondContact O-CA 3.34Å; I207-G210 PolarHBondContact O-N 2.9Å; I207-C211 PolarHBondContact O-N 3.3Å; I207-C211 PolarHBondContact O-SG 3.11Å; I207-C211 VanDerWaalsContact O-SG 3.37Å
208	Q	97.8	Very high	95.5	Very high	17 Å²	17	62.5 Å²	62.5	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-38.5	178.4	-72.3	-177	-35.1	0	0	112.4	A144 E147 S148 K204 G210 C211 K212	A144-Q208 HydrophobicContact CB-CG 4.31Å; A144-Q208 WeakPolarHBondContact O-CG 3.18Å; E147-Q208 VanDerWaalsContact CD-NE2 3.26Å; E147-Q208 PolarHBondContact OE2-NE2 3.23Å; S148-Q208 WeakPolarHBondContact OG-CG 3.46Å; K204-Q208 HydrophobicContact CG-CG 4.43Å; K204-Q208 WeakPolarHBondContact O-CB 3.44Å; K204-Q208 WeakPolarHBondContact O-CG 3.48Å; K204-Q208 PolarHBondContact O-N 3.26Å; Q208-G210 VanDerWaalsContact C-N 3.33Å; Q208-C211 PolarHBondContact O-N 3.08Å; Q208-K212 WeakPolarHBondContact O-CB 3.45Å; Q208-K212 WeakPolarHBondContact O-CG 3.22Å; Q208-K212 PolarHBondContact O-N 2.66Å
209	L	97.8	Very high	95.1	Very high	123 Å²	123	60 Å²	60	64%	0.644	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-42.4	172.8	-179	63.5	0	0	0	111.4	N205 A206 I207 K212 A213	N205-L209 WeakPolarHBondContact O-CB 3.47Å; N205-L209 PolarHBondContact O-N 3.31Å; A206-L209 PolarHBondContact O-N 3.06Å; I207-L209 VanDerWaalsContact C-N 3.29Å; I207-L209 PolarHBondContact O-N 3.37Å; L209-K212 PolarHBondContact O-N 3.16Å; L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 2.87Å
210	G	96.8	Very high	94.7	Very high	41 Å²	41	64.6 Å²	64.6	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-46.6	172.8	0	0	0	0	0	112.7	A206 I207 Q208 A213 A214	A206-G210 PolarHBondContact O-N 3.1Å; I207-G210 CarbonylContact O-C 3.52Å; I207-G210 WeakPolarHBondContact O-CA 3.34Å; I207-G210 PolarHBondContact O-N 2.9Å; Q208-G210 VanDerWaalsContact C-N 3.33Å; G210-A213 PolarHBondContact O-N 2.92Å; G210-A214 WeakPolarHBondContact O-CB 3.38Å; G210-A214 PolarHBondContact O-N 3.08Å
211	C	96.2	Very high	93.7	Very high	25 Å²	25	68.1 Å²	68.1	17%	0.169	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-46.7	176.3	-65.7	0	0	0	0	111.5	I207 Q208 A213 A214 I215	I207-C211 PolarHBondContact O-N 3.3Å; I207-C211 PolarHBondContact O-SG 3.11Å; I207-C211 VanDerWaalsContact O-SG 3.37Å; Q208-C211 PolarHBondContact O-N 3.08Å; C211-A213 VanDerWaalsContact C-N 3.31Å; C211-A213 PolarHBondContact O-N 3.39Å; C211-A214 PolarHBondContact O-N 3.1Å; C211-A214 VanDerWaalsContact O-N 3.15Å; C211-I215 WeakPolarHBondContact O-CB 3.45Å; C211-I215 WeakPolarHBondContact O-CG1 3.42Å; C211-I215 PolarHBondContact O-N 3.17Å
212	K	95.3	Very high	93.6	Very high	106 Å²	106	63.7 Å²	63.7	46%	0.461	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-41.2	176.7	-74.5	171.6	-179	172.7	0	111.9	E151 Q208 L209 Y216	E151-K212 IonicContact OE2-NZ 2.86Å; Q208-K212 WeakPolarHBondContact O-CB 3.45Å; Q208-K212 WeakPolarHBondContact O-CG 3.22Å; Q208-K212 PolarHBondContact O-N 2.66Å; L209-K212 PolarHBondContact O-N 3.16Å; K212-Y216 WeakPolarHBondContact O-CB 3.36Å; K212-Y216 PolarHBondContact O-N 3.44Å
213	A	95.1	Very high	93.4	Very high	54 Å²	54	59.7 Å²	59.7	45%	0.446	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-44.9	174	0	0	0	0	0	111.9	L209 G210 C211 I215 Y216 V217	L209-A213 WeakPolarHBondContact O-CB 3.49Å; L209-A213 PolarHBondContact O-N 2.87Å; G210-A213 PolarHBondContact O-N 2.92Å; C211-A213 VanDerWaalsContact C-N 3.31Å; C211-A213 PolarHBondContact O-N 3.39Å; A213-I215 PolarHBondContact O-N 3.43Å; A213-Y216 PolarHBondContact O-N 3.17Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.35Å
214	A	93.3	Very high	93.2	Very high	26 Å²	26	60.8 Å²	60.8	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-43.3	178.8	0	0	0	0	0	112	W119 G210 C211 V217 S218	W119-A214 HydrophobicContact CH2-CB 3.98Å; W119-A214 HydrophobicContact CZ2-CB 4.08Å; W119-A214 HydrophobicContact CZ3-CB 4.32Å; G210-A214 WeakPolarHBondContact O-CB 3.38Å; G210-A214 PolarHBondContact O-N 3.08Å; C211-A214 PolarHBondContact O-N 3.1Å; C211-A214 VanDerWaalsContact O-N 3.15Å; A214-V217 PolarHBondContact O-N 3.01Å; A214-S218 WeakPolarHBondContact O-CB 3.33Å; A214-S218 PolarHBondContact O-N 2.63Å; A214-S218 PolarHBondContact O-OG 2.8Å
215	I	92.4	Very high	93	Very high	38 Å²	38	63.5 Å²	63.5	20%	0.195	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-53.3	173.2	-72.5	164.8	0	0	0	110.1	V59 H152 C211 A213 V217 S218 Q219	V59-I215 HydrophobicContact CG1-CB 4.27Å; V59-I215 HydrophobicContact CG1-CG1 4.04Å; V59-I215 HydrophobicContact CG1-CG2 3.98Å; H152-I215 HydrophobicContact CB-CD1 4.2Å; C211-I215 WeakPolarHBondContact O-CB 3.45Å; C211-I215 WeakPolarHBondContact O-CG1 3.42Å; C211-I215 PolarHBondContact O-N 3.17Å; A213-I215 PolarHBondContact O-N 3.43Å; I215-V217 VanDerWaalsContact C-N 3.31Å; I215-V217 PolarHBondContact O-N 3.37Å; I215-S218 PolarHBondContact O-N 3.35Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.43Å; I215-Q219 PolarHBondContact O-N 3.41Å
216	Y	92.6	Very high	92.7	Very high	135 Å²	135	61.9 Å²	61.9	53%	0.529	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-42.1	-177.8	175.1	-90	0	0	0	112.6	K212 A213 R220	K212-Y216 WeakPolarHBondContact O-CB 3.36Å; K212-Y216 PolarHBondContact O-N 3.44Å; A213-Y216 PolarHBondContact O-N 3.17Å; Y216-R220 VanDerWaalsContact CD1-NH1 3.25Å; Y216-R220 VanDerWaalsContact CE2-CZ 3.41Å; Y216-R220 VanDerWaalsContact CG-NH1 3.29Å; Y216-R220 PolarHBondContact O-NH1 2.74Å; Y216-R220 PolarHBondContact OH-NH2 3.25Å; Y216-R220 VanDerWaalsContact OH-NH2 3.11Å
217	V	93.3	Very high	92.4	Very high	57 Å²	57	62.1 Å²	62.1	35%	0.345	33%	0.33	S	S	.	.	H	α-helix	trans	-75.7	-44.7	-179.1	-173.8	0	0	0	0	110.5	L115 A213 A214 I215 Q219 R220 V221	L115-V217 HydrophobicContact CD1-CB 4.13Å; L115-V217 HydrophobicContact CD1-CG1 3.28Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.35Å; A214-V217 PolarHBondContact O-N 3.01Å; I215-V217 VanDerWaalsContact C-N 3.31Å; I215-V217 PolarHBondContact O-N 3.37Å; V217-Q219 PolarHBondContact O-N 3.09Å; V217-R220 PolarHBondContact O-N 3.19Å; V217-V221 HydrophobicContact CG1-CG2 4.09Å; V217-V221 WeakPolarHBondContact O-CG2 3.38Å; V217-V221 PolarHBondContact O-N 3.2Å
218	S	88.5	Confident	92	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-24	-179.1	-56	0	0	0	0	113.4	R58 W119 A214 I215 R220	R58-S218 WeakPolarHBondContact CD-O 3.39Å; W119-S218 PolarHBondContact NE1-OG 3.24Å; A214-S218 WeakPolarHBondContact O-CB 3.33Å; A214-S218 PolarHBondContact O-N 2.63Å; A214-S218 PolarHBondContact O-OG 2.8Å; I215-S218 PolarHBondContact O-N 3.35Å; S218-R220 PolarHBondContact O-N 2.9Å
219	Q	87.3	Confident	91.6	Very high	69 Å²	69	69.5 Å²	69.5	32%	0.322	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28	170.5	-78	174.4	-0.9	0	0	113.2	R55 R58 V59 I215 V217	R55-Q219 WeakPolarHBondContact CD-O 3.2Å; R55-Q219 VanDerWaalsContact CG-O 3.3Å; R55-Q219 WeakPolarHBondContact CG-O 3.38Å; R58-Q219 PolarHBondContact NH1-O 3.45Å; V59-Q219 HydrophobicContact CG2-CB 4.12Å; V59-Q219 HydrophobicContact CG2-CG 3.26Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.43Å; I215-Q219 PolarHBondContact O-N 3.41Å; V217-Q219 PolarHBondContact O-N 3.09Å
220	R	86.5	Confident	91	Very high	145 Å²	145	65 Å²	65	55%	0.547	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-26.2	-170.1	-68.4	-174.3	174.1	73.2	0.5	114.6	Y216 V217 S218	Y216-R220 VanDerWaalsContact CD1-NH1 3.25Å; Y216-R220 VanDerWaalsContact CE2-CZ 3.41Å; Y216-R220 VanDerWaalsContact CG-NH1 3.29Å; Y216-R220 PolarHBondContact O-NH1 2.74Å; Y216-R220 PolarHBondContact OH-NH2 3.25Å; Y216-R220 VanDerWaalsContact OH-NH2 3.11Å; V217-R220 PolarHBondContact O-N 3.19Å; S218-R220 PolarHBondContact O-N 2.9Å
221	V	75.3	Confident	90.5	Very high	81 Å²	81	67.2 Å²	67.2	49%	0.491	34%	0.34	S	S	.	.			trans	-129	0	-169.8	-63.2	0	0	0	0	113.5	R58 T113 A114 L115 V217	R58-V221 VanDerWaalsContact CD-O 3.24Å; R58-V221 WeakPolarHBondContact CD-O 3.45Å; T113-V221 WeakPolarHBondContact CA-O 3.3Å; T113-V221 WeakPolarHBondContact CB-O 3.38Å; T113-V221 PolarHBondContact OG1-O 2.9Å; A114-V221 PolarHBondContact N-OXT 3.31Å; L115-V221 HydrophobicContact CD1-CG2 3.52Å; L115-V221 HydrophobicContact CG-CG2 3.66Å; V217-V221 HydrophobicContact CG1-CG2 4.09Å; V217-V221 WeakPolarHBondContact O-CG2 3.38Å; V217-V221 PolarHBondContact O-N 3.2Å

Retrieved 221 of 221 residues in 93.8 ms (Link to these results)

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