A0A077ZI86_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	30.4	Very low	241 Å²	241	148.2 Å²	148.2	100%	1.187	83%	0.834	S	S	*	*				0	117.5	0	-59.1	-173.9	-176.7	0	0	105.6
2	S	35.4	Very low	29.9	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	80%	0.804	S	S	*	*			cis	-150.3	157.6	8.6	-68.5	0	0	0	0	108
3	V	29	Very low	29.5	Very low	133 Å²	133	143.6 Å²	143.6	81%	0.806	81%	0.807	S	S	*	*			trans	-68.2	127.7	-168	-167.9	0	0	0	0	111.4
4	S	33.1	Very low	29.2	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	81%	0.814	S	S	*	*			trans	-86.2	115.3	164.2	-63.1	0	0	0	0	108.6	D6	S4-D6 PolarHBondContact O-N 3.31Å
5	N	32.5	Very low	28.8	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	82%	0.82	S	S	*	*			trans	-85.1	85.8	169.7	-95.2	-0.8	0	0	0	109
6	D	31.4	Very low	28.5	Very low	149 Å²	149	148.9 Å²	148.9	80%	0.797	81%	0.812	S	S	*	*			trans	-106.1	93.8	157.4	-94.6	-32.1	0	0	0	107.1	S4 M8	S4-D6 PolarHBondContact O-N 3.31Å; D6-M8 PolarHBondContact O-N 2.99Å
7	S	28.8	Very low	28.1	Very low	96 Å²	96	145 Å²	145	67%	0.671	81%	0.805	S	S	*	*			trans	-93.3	90.8	169.7	177.1	0	0	0	0	108.4	Y9	S7-Y9 PolarHBondContact O-N 3.44Å
8	M	26.5	Very low	27.9	Very low	164 Å²	164	145.8 Å²	145.8	81%	0.808	81%	0.807	S	S	*	*			trans	-67.9	107.3	160.7	-65.6	171.1	80.3	0	0	108.1	D6 N10	D6-M8 PolarHBondContact O-N 2.99Å; M8-N10 VanDerWaalsContact C-N 3.3Å; M8-N10 PolarHBondContact O-N 3.26Å
9	Y	26.6	Very low	27.7	Very low	226 Å²	226	149.8 Å²	149.8	89%	0.886	81%	0.81	S	S	*	*			trans	-73.9	93.2	160.5	-88.3	-87.3	0	0	0	107.9	S7	S7-Y9 PolarHBondContact O-N 3.44Å
10	N	27.4	Very low	27.9	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	80%	0.802	S	S	*	*			trans	-81.4	111.4	176	-165.6	8.9	0	0	0	108.6	M8 A12	M8-N10 VanDerWaalsContact C-N 3.3Å; M8-N10 PolarHBondContact O-N 3.26Å; N10-A12 PolarHBondContact O-N 2.74Å
11	A	27	Very low	27.8	Very low	114 Å²	114	148.3 Å²	148.3	94%	0.942	80%	0.801	S	S	*	*			trans	-87.2	37.9	177	0	0	0	0	0	112.4
12	A	23.8	Very low	27.3	Very low	57 Å²	57	143.6 Å²	143.6	47%	0.471	78%	0.776	S	S	.	*			trans	-112	136.6	170.4	0	0	0	0	0	107.9	N10	N10-A12 PolarHBondContact O-N 2.74Å
13	E	25	Very low	26.8	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	77%	0.772	S	S	*	*			trans	93.6	68	177.3	-52.9	179.9	168.6	0	0	117.4
14	Y	25.2	Very low	26.5	Very low	230 Å²	230	146.5 Å²	146.5	90%	0.902	77%	0.773	S	S	*	*			trans	-136.4	86.7	144.9	-73.8	-74.1	0	0	0	110.7
15	N	22.9	Very low	26.1	Very low	171 Å²	171	145.6 Å²	145.6	91%	0.914	77%	0.772	S	S	*	*			trans	-82.1	111.3	157.2	-103.7	-23.9	0	0	0	107.4
16	V	24.1	Very low	25.7	Very low	114 Å²	114	146.3 Å²	146.3	69%	0.691	78%	0.775	S	S	*	*			trans	-117.3	92	165.5	-177.2	0	0	0	0	107.7	L18	V16-L18 HydrophobicContact CG1-CD1 4.22Å; V16-L18 HydrophobicContact CG1-CG 4.37Å
17	A	22.4	Very low	25.3	Very low	83 Å²	83	149 Å²	149	69%	0.686	78%	0.783	S	S	*	*			trans	-78.4	114.3	166.2	0	0	0	0	0	108.8
18	L	24.6	Very low	25	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	79%	0.786	S	S	*	*			trans	-129	108.7	160.5	-77.9	167.9	0	0	0	107.6	V16	V16-L18 HydrophobicContact CG1-CD1 4.22Å; V16-L18 HydrophobicContact CG1-CG 4.37Å
19	Y	23.9	Very low	24.9	Very low	221 Å²	221	146.8 Å²	146.8	87%	0.867	78%	0.782	S	S	*	*			trans	-72.6	159.6	178.8	-98	-96.7	0	0	0	111.6
20	P	32.4	Very low	24.8	Very low	101 Å²	101	140.8 Å²	140.8	66%	0.656	78%	0.78	S	S	*	*			trans	-87	153.5	-163.3	37.4	-31.2	0	0	0	110.6
21	E	25.6	Very low	24.7	Very low	167 Å²	167	143.7 Å²	143.7	78%	0.78	78%	0.781	S	S	*	*				-174.7	136.7	127.6	-103	170.9	-161.4	0	0	110.8
22	E	24.9	Very low	24.8	Very low	142 Å²	142	143.5 Å²	143.5	66%	0.664	76%	0.764	S	S	*	*			trans	64.5	98.5	149	-60	-175.6	171.1	0	0	118
23	H	26	Very low	24.9	Very low	153 Å²	153	152.2 Å²	152.2	71%	0.708	79%	0.785	S	S	*	*				160.5	115.6	104.7	-78.6	-54.7	0	0	0	111.8
24	N	23.3	Very low	25.1	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	78%	0.775	S	S	*	*			trans	41.6	89.3	133.1	-60.8	-19	0	0	0	118
25	A	24	Very low	25.2	Very low	91 Å²	91	148.1 Å²	148.1	75%	0.752	77%	0.774	S	S	*	*			trans	-158.5	105.5	145	0	0	0	0	0	110.5
26	L	24.9	Very low	25.3	Very low	171 Å²	171	147.7 Å²	147.7	90%	0.895	76%	0.76	S	S	*	*			trans	67	99.6	158.9	-68.1	151.4	0	0	0	117.2	G28	L26-G28 PolarHBondContact O-N 3.46Å
27	E	22	Very low	25.4	Very low	204 Å²	204	146.4 Å²	146.4	95%	0.953	75%	0.749	S	S	*	*	S	Bend	trans	-36.2	123	150.2	-68.6	171	138.4	0	0	110.7
28	G	23.6	Very low	25.7	Very low	71 Å²	71	145 Å²	145	73%	0.732	73%	0.73	S	S	*	*	S	Bend	trans	164.3	-45.4	165.6	0	0	0	0	0	118.6	L26	L26-G28 PolarHBondContact O-N 3.46Å
29	I	23.9	Very low	25.6	Very low	144 Å²	144	144.3 Å²	144.3	74%	0.738	73%	0.726	S	S	*	*			trans	-146.7	88.4	-177.1	-50.8	178.2	0	0	0	110.5	W31	I29-W31 PolarHBondContact O-N 3.09Å; I29-W31 VanDerWaalsContact O-N 3.09Å
30	A	23.1	Very low	25.7	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	72%	0.716	S	S	*	*			trans	-62.2	102.1	152	0	0	0	0	0	107	N32	A30-N32 PolarHBondContact O-N 3.22Å
31	W	27	Very low	25.4	Very low	189 Å²	189	137.8 Å²	137.8	72%	0.716	72%	0.718	S	S	*	*			trans	-68.8	104.7	169.5	-138.5	-22	0	0	0	107.1	I29 R33	I29-W31 PolarHBondContact O-N 3.09Å; I29-W31 VanDerWaalsContact O-N 3.09Å; W31-R33 PolarHBondContact O-N 3.12Å
32	N	28.2	Very low	25.4	Very low	110 Å²	110	132.9 Å²	132.9	59%	0.588	71%	0.712	S	S	*	*			trans	-58.1	133.4	-169.5	-168.6	-6.2	0	0	0	111	A30 D34	A30-N32 PolarHBondContact O-N 3.22Å; N32-D34 PolarHBondContact O-N 3.35Å
33	R	26.5	Very low	25.5	Very low	240 Å²	240	132.2 Å²	132.2	91%	0.906	72%	0.721	S	S	*	*			trans	-72.4	6	-175.8	-86.4	175.9	159.3	173.6	-5.2	114.1	W31 K35	W31-R33 PolarHBondContact O-N 3.12Å; R33-K35 PolarHBondContact O-N 2.83Å
34	D	28.4	Very low	25.6	Very low	118 Å²	118	128.2 Å²	128.2	63%	0.631	71%	0.71	S	S	*	*	S	Bend	trans	-95.1	86	177.7	-75.9	-34	0	0	0	112.5	N32 R36	N32-D34 PolarHBondContact O-N 3.35Å; D34-R36 VanDerWaalsContact C-N 3.34Å; D34-R36 PolarHBondContact O-N 2.93Å
35	K	26.8	Very low	25.8	Very low	205 Å²	205	128.8 Å²	128.8	89%	0.891	71%	0.713	S	S	*	*	S	Bend	trans	49.3	10.9	136.9	-66.3	-169.5	176.8	-179.1	0	122.5	R33	R33-K35 PolarHBondContact O-N 2.83Å
36	R	26.3	Very low	25.9	Very low	163 Å²	163	129.3 Å²	129.3	62%	0.615	71%	0.707	S	S	*	*			trans	-139.9	5.9	-175	-63.1	-171.7	-172.9	-155.3	-3	117.3	D34 E225	D34-R36 VanDerWaalsContact C-N 3.34Å; D34-R36 PolarHBondContact O-N 2.93Å; R36-E225 IonicContact CZ-OE1 2.64Å; R36-E225 VanDerWaalsContact CZ-OE1 3.24Å; R36-E225 IonicContact NH1-OE1 3.24Å; R36-E225 PolarHBondContact NH1-OE1 2.97Å; R36-E225 IonicContact NH2-OE1 3.05Å; R36-E225 PolarHBondContact NH2-OE1 3.43Å
37	N	26.4	Very low	26	Very low	87 Å²	87	126.5 Å²	126.5	47%	0.465	70%	0.699	S	S	.	*	S	Bend	trans	-107.1	100.3	-178.3	-74.7	-36	0	0	0	112.1	I39	N37-I39 PolarHBondContact O-N 2.8Å
38	L	27.8	Very low	26.2	Very low	53 Å²	53	121.4 Å²	121.4	28%	0.277	69%	0.691	S	S	.	*	S	Bend	trans	63.3	51.3	139.8	-106.3	157.9	0	0	0	117.9	L65 H68	L38-L65 HydrophobicContact CD1-CD2 3.69Å; L38-L65 HydrophobicContact CD1-CG 4.47Å; L38-L65 HydrophobicContact CD2-CB 4.2Å; L38-L65 HydrophobicContact CD2-CD2 3.22Å; L38-L65 HydrophobicContact CD2-CG 3.41Å; L38-L65 VanDerWaalsContact CD2-CG 3.41Å; L38-L65 HydrophobicContact CG-CD2 4.02Å; L38-H68 HydrophobicContact CD1-CB 3.63Å; L38-H68 HydrophobicContact CG-CB 4.06Å
39	I	23.1	Very low	26.5	Very low	146 Å²	146	127.3 Å²	127.3	75%	0.749	70%	0.697	S	S	*	*			trans	-136.7	90.7	162.4	-51.9	178	0	0	0	107.9	N37 C41	N37-I39 PolarHBondContact O-N 2.8Å; I39-C41 HydrophobicContact CG2-CB 4.47Å
40	A	26.2	Very low	26.6	Very low	81 Å²	81	125.7 Å²	125.7	67%	0.669	70%	0.695	S	S	*	*			trans	-117.7	65.4	160.8	0	0	0	0	0	108.4
41	C	25.6	Very low	26.9	Very low	103 Å²	103	128.8 Å²	128.8	70%	0.696	69%	0.693	S	S	*	*			trans	-72.1	127.4	164.1	-57.9	0	0	0	0	108.5	I39	I39-C41 HydrophobicContact CG2-CB 4.47Å
42	G	25.9	Very low	27.2	Very low	64 Å²	64	123 Å²	123	66%	0.66	69%	0.691	S	S	*	*			trans	-155.4	138.2	170.9	0	0	0	0	0	111.1
43	P	25.8	Very low	27.4	Very low	129 Å²	129	124.9 Å²	124.9	84%	0.838	70%	0.7	S	S	*	*			trans	-80.6	147.4	-149.1	33.9	-35.2	0	0	0	112.2
44	S	29.7	Very low	27.9	Very low	68 Å²	68	115.1 Å²	115.1	48%	0.476	67%	0.666	S	S	.	*			trans	-163.8	116.5	154.2	-147.6	0	0	0	0	112.2	V46 K57	S44-V46 PolarHBondContact O-N 2.84Å; S44-K57 PolarHBondContact OG-NZ 3.02Å
45	D	26	Very low	28.4	Very low	168 Å²	168	111.9 Å²	111.9	90%	0.898	65%	0.652	S	S	*	*			trans	-52.7	102.8	166.8	-57.9	-56.9	0	0	0	110.7
46	V	27.8	Very low	28.9	Very low	102 Å²	102	105.4 Å²	105.4	62%	0.618	63%	0.63	S	S	*	*			trans	-138.3	119.6	166.2	-171.4	0	0	0	0	108.4	S44 A48	S44-V46 PolarHBondContact O-N 2.84Å; V46-A48 PolarHBondContact O-N 3Å
47	P	26.2	Very low	29.7	Very low	112 Å²	112	102.3 Å²	102.3	73%	0.727	62%	0.621	S	S	*	*			trans	-62.7	125.5	175.1	24.9	-30.8	0	0	0	109.1	K49	P47-K49 PolarHBondContact O-N 2.81Å
48	A	26.9	Very low	30.6	Very low	96 Å²	96	100.6 Å²	100.6	79%	0.793	61%	0.61	S	S	*	*			trans	-54.2	110	174.7	0	0	0	0	0	109.2	V46	V46-A48 PolarHBondContact O-N 3Å
49	K	28.1	Very low	31.3	Very low	195 Å²	195	99 Å²	99	85%	0.848	61%	0.606	S	S	*	*			trans	-72.1	139.6	169.6	-75.3	-175.9	179.3	178.1	0	108.3	P47	P47-K49 PolarHBondContact O-N 2.81Å
50	P	27	Very low	32.4	Very low	110 Å²	110	93.1 Å²	93.1	71%	0.714	58%	0.575	S	S	*	*	S	Bend	trans	-69.9	152.6	173.7	32.7	-32.4	0	0	0	109.1
51	E	29.8	Very low	33.2	Very low	166 Å²	166	90.4 Å²	90.4	78%	0.776	55%	0.551	S	S	*	*	S	Bend	trans	89.9	89.2	169.3	-52.1	178.4	-162.9	0	0	116.8	I53	E51-I53 PolarHBondContact O-N 3.22Å
52	G	32.5	Very low	34.3	Very low	66 Å²	66	85.6 Å²	85.6	68%	0.68	52%	0.519	S	S	*	.	S	Bend	trans	63.5	-3.3	141.6	0	0	0	0	0	119.8
53	I	31.8	Very low	35.1	Very low	150 Å²	150	82.6 Å²	82.6	77%	0.769	49%	0.487	S	S	*	.			trans	-112.8	110	-176.3	-60.1	171.8	0	0	0	107.6	E51 S55	E51-I53 PolarHBondContact O-N 3.22Å; I53-S55 PolarHBondContact O-N 3.48Å
54	L	37.8	Very low	36.1	Very low	36 Å²	36	77.1 Å²	77.1	19%	0.188	45%	0.453	C	S	.	.			trans	-56.4	129.2	167.5	-76.6	164.4	0	0	0	108.5	E58 I62 V142 V171	L54-E58 HydrophobicContact CB-CB 4.44Å; L54-E58 HydrophobicContact CD2-CB 3.61Å; L54-I62 HydrophobicContact CD1-CD1 3.79Å; L54-I62 HydrophobicContact CD2-CD1 3.8Å; L54-I62 HydrophobicContact CG-CD1 4.48Å; L54-V142 HydrophobicContact CD1-CG1 4.49Å; L54-V142 HydrophobicContact CD2-CG1 3.57Å; L54-V142 HydrophobicContact CG-CG1 3.89Å; L54-V171 HydrophobicContact CD1-CG1 4.23Å
55	S	38.9	Very low	36.6	Very low	49 Å²	49	74.7 Å²	74.7	34%	0.343	43%	0.434	S	S	.	.			trans	-60.6	153.4	166.5	67.9	0	0	0	0	109.3	I53 K57 E58 G59	I53-S55 PolarHBondContact O-N 3.48Å; S55-K57 PolarHBondContact O-N 2.86Å; S55-K57 VanDerWaalsContact O-N 3.07Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 3.39Å; S55-E58 PolarHBondContact O-N 2.8Å; S55-E58 VanDerWaalsContact OG-CD 3.29Å; S55-E58 VanDerWaalsContact OG-CG 3.29Å; S55-E58 WeakPolarHBondContact OG-CG 3.41Å; S55-E58 PolarHBondContact OG-N 3.23Å; S55-E58 PolarHBondContact OG-OE2 2.98Å; S55-G59 PolarHBondContact O-N 3.03Å
56	V	36.8	Very low	37.4	Very low	70 Å²	70	67 Å²	67	42%	0.424	39%	0.393	S	S	.	.	H	α-helix	trans	-50.4	-37.4	175.7	175.2	0	0	0	0	110.9	G59 Q60 E180	V56-G59 PolarHBondContact O-N 2.87Å; V56-Q60 HydrophobicContact CG1-CG 4.26Å; V56-Q60 VanDerWaalsContact CG1-NE2 3.27Å; V56-Q60 WeakPolarHBondContact O-CB 3.33Å; V56-Q60 WeakPolarHBondContact O-CG 3.43Å; V56-Q60 PolarHBondContact O-N 3.25Å; V56-E180 WeakPolarHBondContact CG2-OE2 3.33Å
57	K	44.2	Very low	37.9	Very low	97 Å²	97	62.7 Å²	62.7	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-42.2	177.4	-66.4	-170	177.8	-167.9	0	113.7	S44 S55 Q60 S61	S44-K57 PolarHBondContact OG-NZ 3.02Å; S55-K57 PolarHBondContact O-N 2.86Å; S55-K57 VanDerWaalsContact O-N 3.07Å; K57-Q60 PolarHBondContact O-N 2.99Å; K57-S61 WeakPolarHBondContact O-CB 3.49Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 3.07Å
58	E	43.9	Very low	38.4	Very low	52 Å²	52	59.9 Å²	59.9	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-69	-37.4	176.1	-66.5	159.5	139.4	0	0	111.1	L54 S55 S61 I62 A146	L54-E58 HydrophobicContact CB-CB 4.44Å; L54-E58 HydrophobicContact CD2-CB 3.61Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 3.39Å; S55-E58 PolarHBondContact O-N 2.8Å; S55-E58 VanDerWaalsContact OG-CD 3.29Å; S55-E58 VanDerWaalsContact OG-CG 3.29Å; S55-E58 WeakPolarHBondContact OG-CG 3.41Å; S55-E58 PolarHBondContact OG-N 3.23Å; S55-E58 PolarHBondContact OG-OE2 2.98Å; E58-S61 WeakPolarHBondContact O-CB 3.31Å; E58-S61 PolarHBondContact O-N 3.44Å; E58-I62 WeakPolarHBondContact O-CB 3.38Å; E58-I62 WeakPolarHBondContact O-CD1 3.37Å; E58-I62 VanDerWaalsContact O-CG1 3.22Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 2.86Å; E58-A146 HydrophobicContact CG-CB 4.26Å; E58-A146 WeakPolarHBondContact OE1-CB 3.27Å
59	G	43.2	Very low	38.7	Very low	18 Å²	18	61.4 Å²	61.4	19%	0.186	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-42.4	172.6	0	0	0	0	0	113.3	S55 V56 S61 I62 F63	S55-G59 PolarHBondContact O-N 3.03Å; V56-G59 PolarHBondContact O-N 2.87Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.33Å; G59-I62 PolarHBondContact O-N 3.07Å; G59-F63 WeakPolarHBondContact O-CB 3.45Å; G59-F63 PolarHBondContact O-N 2.76Å
60	Q	46.9	Very low	38.8	Very low	24 Å²	24	54.5 Å²	54.5	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176	-76	165	-13.4	0	0	112.2	V56 K57 F63 A64 L181 Y184	V56-Q60 HydrophobicContact CG1-CG 4.26Å; V56-Q60 VanDerWaalsContact CG1-NE2 3.27Å; V56-Q60 WeakPolarHBondContact O-CB 3.33Å; V56-Q60 WeakPolarHBondContact O-CG 3.43Å; V56-Q60 PolarHBondContact O-N 3.25Å; K57-Q60 PolarHBondContact O-N 2.99Å; Q60-F63 PolarHBondContact O-N 2.94Å; Q60-A64 WeakPolarHBondContact O-CB 3.29Å; Q60-A64 PolarHBondContact O-N 3.42Å; Q60-L181 HydrophobicContact CB-CD1 4.37Å; Q60-L181 HydrophobicContact CG-CD1 3.84Å; Q60-Y184 HydrophobicContact CB-CD1 4.17Å; Q60-Y184 HydrophobicContact CB-CE1 3.95Å; Q60-Y184 HydrophobicContact CG-CD1 3.52Å; Q60-Y184 HydrophobicContact CG-CD2 4.46Å; Q60-Y184 HydrophobicContact CG-CE1 3.75Å; Q60-Y184 HydrophobicContact CG-CG 3.88Å
61	S	43.1	Very low	39.1	Very low	23 Å²	23	54.4 Å²	54.4	16%	0.161	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-49.9	177.5	-71.4	0	0	0	0	112.6	K57 E58 G59 F63 A64 L65 F149	K57-S61 WeakPolarHBondContact O-CB 3.49Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 3.07Å; E58-S61 WeakPolarHBondContact O-CB 3.31Å; E58-S61 PolarHBondContact O-N 3.44Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.33Å; S61-F63 VanDerWaalsContact C-N 3.32Å; S61-F63 PolarHBondContact O-N 3.33Å; S61-A64 PolarHBondContact O-N 3.33Å; S61-L65 WeakPolarHBondContact O-CD1 3.31Å; S61-L65 PolarHBondContact O-N 3.27Å; S61-L65 VanDerWaalsContact O-N 3.17Å; S61-F149 VanDerWaalsContact CB-CD1 3.5Å; S61-F149 VanDerWaalsContact CB-CE2 3.47Å; S61-F149 WeakPolarHBondContact OG-CE1 3.32Å; S61-F149 WeakPolarHBondContact OG-CZ 3.38Å
62	I	47.4	Very low	39.1	Very low	3 Å²	3	54 Å²	54	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-44	173.5	-74.2	163.8	0	0	0	110.5	L54 E58 G59 L65 F66 F145 L210	L54-I62 HydrophobicContact CD1-CD1 3.79Å; L54-I62 HydrophobicContact CD2-CD1 3.8Å; L54-I62 HydrophobicContact CG-CD1 4.48Å; E58-I62 WeakPolarHBondContact O-CB 3.38Å; E58-I62 WeakPolarHBondContact O-CD1 3.37Å; E58-I62 VanDerWaalsContact O-CG1 3.22Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 2.86Å; G59-I62 PolarHBondContact O-N 3.07Å; I62-L65 WeakPolarHBondContact O-CB 3.27Å; I62-L65 PolarHBondContact O-N 2.95Å; I62-F66 HydrophobicContact CG2-CD2 3.66Å; I62-F66 HydrophobicContact CG2-CE2 3.15Å; I62-F66 HydrophobicContact CG2-CZ 4.11Å; I62-F66 WeakPolarHBondContact O-CD2 3.31Å; I62-F66 WeakPolarHBondContact O-CG 3.33Å; I62-F66 PolarHBondContact O-N 2.85Å; I62-F145 HydrophobicContact CB-CE1 4.39Å; I62-F145 HydrophobicContact CD1-CD1 3.99Å; I62-F145 HydrophobicContact CD1-CE1 4.07Å; I62-F145 HydrophobicContact CG1-CD1 3.71Å; I62-F145 HydrophobicContact CG1-CE1 3.27Å; I62-F145 HydrophobicContact CG1-CZ 4.16Å; I62-L210 HydrophobicContact CG2-CD2 3.93Å
63	F	44.2	Very low	38.9	Very low	1 Å²	1	56.1 Å²	56.1	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-40.2	179.8	-168.7	-80.8	0	0	0	113	G59 Q60 S61 L65 F66 T67 L181 L185 I191 M213 T217 V221	G59-F63 WeakPolarHBondContact O-CB 3.45Å; G59-F63 PolarHBondContact O-N 2.76Å; Q60-F63 PolarHBondContact O-N 2.94Å; S61-F63 VanDerWaalsContact C-N 3.32Å; S61-F63 PolarHBondContact O-N 3.33Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.8Å; F63-F66 WeakPolarHBondContact O-CB 3.31Å; F63-F66 PolarHBondContact O-N 2.91Å; F63-F66 VanDerWaalsContact O-N 3.08Å; F63-T67 HydrophobicContact CD1-CG2 3.91Å; F63-T67 HydrophobicContact CE1-CG2 3.46Å; F63-T67 VanDerWaalsContact CE1-CG2 3.46Å; F63-T67 HydrophobicContact CZ-CG2 4.07Å; F63-T67 PolarHBondContact O-N 3.4Å; F63-T67 PolarHBondContact O-OG1 3.45Å; F63-L181 HydrophobicContact CB-CD1 3.94Å; F63-L181 HydrophobicContact CB-CD2 4.04Å; F63-L181 HydrophobicContact CB-CG 4.47Å; F63-L181 HydrophobicContact CD2-CD2 3.57Å; F63-L181 HydrophobicContact CD2-CG 4.28Å; F63-L181 HydrophobicContact CE2-CD2 4.21Å; F63-L181 HydrophobicContact CG-CD1 4.19Å; F63-L181 HydrophobicContact CG-CD2 3.94Å; F63-L181 HydrophobicContact CG-CG 4.31Å; F63-L185 HydrophobicContact CD1-CD1 3.42Å; F63-L185 VanDerWaalsContact CD1-CD1 3.42Å; F63-L185 HydrophobicContact CD1-CD2 3.35Å; F63-L185 HydrophobicContact CD1-CG 3.98Å; F63-L185 HydrophobicContact CD2-CD1 4.38Å; F63-L185 HydrophobicContact CE1-CD1 3.01Å; F63-L185 HydrophobicContact CE1-CD2 3.49Å; F63-L185 VanDerWaalsContact CE1-CD2 3.49Å; F63-L185 HydrophobicContact CE1-CG 3.84Å; F63-L185 HydrophobicContact CE2-CD1 4.03Å; F63-L185 HydrophobicContact CG-CD1 4.07Å; F63-L185 HydrophobicContact CG-CD2 4.4Å; F63-L185 HydrophobicContact CZ-CD1 3.32Å; F63-I191 HydrophobicContact CZ-CD1 4.42Å; F63-M213 HydrophobicContact CD2-CE 4.42Å; F63-M213 HydrophobicContact CE2-CG 4.47Å; F63-T217 HydrophobicContact CE2-CG2 4.2Å; F63-T217 WeakPolarHBondContact CE2-OG1 3.35Å; F63-T217 HydrophobicContact CZ-CG2 3.85Å; F63-T217 WeakPolarHBondContact CZ-OG1 3.41Å; F63-V221 HydrophobicContact CE1-CG2 3.79Å; F63-V221 HydrophobicContact CZ-CG2 4.07Å
64	A	45.4	Very low	38.8	Very low	13 Å²	13	56.7 Å²	56.7	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-57.5	-46.7	174.7	0	0	0	0	0	111.4	Q60 S61 F66 T67 H68 W190	Q60-A64 WeakPolarHBondContact O-CB 3.29Å; Q60-A64 PolarHBondContact O-N 3.42Å; S61-A64 PolarHBondContact O-N 3.33Å; A64-F66 PolarHBondContact O-N 2.81Å; A64-T67 PolarHBondContact O-N 2.92Å; A64-T67 PolarHBondContact O-OG1 3.35Å; A64-T67 VanDerWaalsContact O-OG1 3.08Å; A64-H68 PolarHBondContact O-CD2 2.85Å; A64-H68 PolarHBondContact O-N 3.25Å; A64-W190 HydrophobicContact CB-CH2 3.7Å; A64-W190 HydrophobicContact CB-CZ3 3.49Å; A64-W190 VanDerWaalsContact CB-CZ3 3.49Å
65	L	41.4	Very low	38.4	Very low	17 Å²	17	60.8 Å²	60.8	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-53.9	-38	173.7	-85.3	154.6	0	0	0	113.5	L38 S61 I62 F63 R69 F145 F149 F160	L38-L65 HydrophobicContact CD1-CD2 3.69Å; L38-L65 HydrophobicContact CD1-CG 4.47Å; L38-L65 HydrophobicContact CD2-CB 4.2Å; L38-L65 HydrophobicContact CD2-CD2 3.22Å; L38-L65 HydrophobicContact CD2-CG 3.41Å; L38-L65 VanDerWaalsContact CD2-CG 3.41Å; L38-L65 HydrophobicContact CG-CD2 4.02Å; S61-L65 WeakPolarHBondContact O-CD1 3.31Å; S61-L65 PolarHBondContact O-N 3.27Å; S61-L65 VanDerWaalsContact O-N 3.17Å; I62-L65 WeakPolarHBondContact O-CB 3.27Å; I62-L65 PolarHBondContact O-N 2.95Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.8Å; L65-R69 PolarHBondContact O-N 3.43Å; L65-F145 HydrophobicContact CD1-CE1 4.1Å; L65-F145 HydrophobicContact CD1-CZ 3.8Å; L65-F149 HydrophobicContact CD1-CD2 3.37Å; L65-F149 HydrophobicContact CD1-CE2 3.42Å; L65-F149 VanDerWaalsContact CD1-CE2 3.42Å; L65-F149 HydrophobicContact CG-CD2 4.44Å; L65-F149 HydrophobicContact CG-CE2 4.06Å; L65-F160 HydrophobicContact CD1-CE1 4.42Å; L65-F160 HydrophobicContact CD1-CZ 3.61Å; L65-F160 HydrophobicContact CD2-CE1 3.89Å; L65-F160 HydrophobicContact CD2-CZ 3.59Å; L65-F160 HydrophobicContact CG-CZ 4.25Å
66	F	42.7	Very low	38	Very low	8 Å²	8	67.3 Å²	67.3	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-73.3	-36.5	-176.4	-78.5	-50.7	0	0	0	114.1	I62 F63 A64 H68 R69 T70 L164 Q168 L210 M214	I62-F66 HydrophobicContact CG2-CD2 3.66Å; I62-F66 HydrophobicContact CG2-CE2 3.15Å; I62-F66 HydrophobicContact CG2-CZ 4.11Å; I62-F66 WeakPolarHBondContact O-CD2 3.31Å; I62-F66 WeakPolarHBondContact O-CG 3.33Å; I62-F66 PolarHBondContact O-N 2.85Å; F63-F66 WeakPolarHBondContact O-CB 3.31Å; F63-F66 PolarHBondContact O-N 2.91Å; F63-F66 VanDerWaalsContact O-N 3.08Å; A64-F66 PolarHBondContact O-N 2.81Å; F66-H68 VanDerWaalsContact C-N 3.35Å; F66-R69 PolarHBondContact O-N 2.99Å; F66-T70 PolarHBondContact O-OG1 3.33Å; F66-L164 HydrophobicContact CD1-CD1 4.26Å; F66-L164 HydrophobicContact CD1-CD2 3.99Å; F66-L164 HydrophobicContact CD1-CG 4.28Å; F66-L164 HydrophobicContact CE1-CD1 3.34Å; F66-L164 HydrophobicContact CE1-CD2 3.31Å; F66-L164 HydrophobicContact CE1-CG 3.2Å; F66-L164 HydrophobicContact CE2-CD1 3.87Å; F66-L164 HydrophobicContact CZ-CD1 3.09Å; F66-L164 HydrophobicContact CZ-CD2 4.01Å; F66-L164 HydrophobicContact CZ-CG 3.37Å; F66-Q168 HydrophobicContact CE1-CG 3.83Å; F66-Q168 HydrophobicContact CE2-CG 4.26Å; F66-Q168 HydrophobicContact CZ-CG 3.39Å; F66-Q168 VanDerWaalsContact CZ-NE2 3.34Å; F66-L210 HydrophobicContact CE2-CD2 4Å; F66-L210 HydrophobicContact CE2-CG 4.4Å; F66-M214 HydrophobicContact CB-CE 3.55Å; F66-M214 HydrophobicContact CB-CG 4.32Å; F66-M214 HydrophobicContact CB-SD 4.01Å; F66-M214 HydrophobicContact CD1-CE 3.11Å; F66-M214 HydrophobicContact CD1-SD 3.52Å; F66-M214 VanDerWaalsContact CD1-SD 3.52Å; F66-M214 HydrophobicContact CD2-CE 3.89Å; F66-M214 HydrophobicContact CD2-CG 3.99Å; F66-M214 HydrophobicContact CD2-SD 3.23Å; F66-M214 WeakPolarHBondContact CD2-SD 3.19Å; F66-M214 HydrophobicContact CE1-CE 3.61Å; F66-M214 HydrophobicContact CE1-SD 3.61Å; F66-M214 HydrophobicContact CE2-CE 4.29Å; F66-M214 HydrophobicContact CE2-CG 4.45Å; F66-M214 HydrophobicContact CE2-SD 3.31Å; F66-M214 WeakPolarHBondContact CE2-SD 3.31Å; F66-M214 HydrophobicContact CG-CE 3.26Å; F66-M214 HydrophobicContact CG-CG 4.17Å; F66-M214 HydrophobicContact CG-SD 3.32Å; F66-M214 WeakPolarHBondContact CG-SD 3.34Å; F66-M214 HydrophobicContact CZ-CE 4.18Å; F66-M214 HydrophobicContact CZ-SD 3.51Å; F66-M214 VanDerWaalsContact CZ-SD 3.51Å
67	T	37.5	Very low	37.6	Very low	10 Å²	10	68.4 Å²	68.4	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-80.7	-23.6	-177.1	54.2	0	0	0	0	112.1	F63 A64 V221	F63-T67 HydrophobicContact CD1-CG2 3.91Å; F63-T67 HydrophobicContact CE1-CG2 3.46Å; F63-T67 VanDerWaalsContact CE1-CG2 3.46Å; F63-T67 HydrophobicContact CZ-CG2 4.07Å; F63-T67 PolarHBondContact O-N 3.4Å; F63-T67 PolarHBondContact O-OG1 3.45Å; A64-T67 PolarHBondContact O-N 2.92Å; A64-T67 PolarHBondContact O-OG1 3.35Å; A64-T67 VanDerWaalsContact O-OG1 3.08Å; T67-V221 HydrophobicContact CG2-CB 3.41Å; T67-V221 VanDerWaalsContact CG2-CB 3.41Å; T67-V221 HydrophobicContact CG2-CG1 3.45Å; T67-V221 VanDerWaalsContact CG2-CG1 3.45Å; T67-V221 HydrophobicContact CG2-CG2 3.42Å; T67-V221 VanDerWaalsContact CG2-CG2 3.42Å; T67-V221 WeakPolarHBondContact OG1-CG1 3.47Å
68	H	36.9	Very low	37	Very low	53 Å²	53	71.6 Å²	71.6	25%	0.245	40%	0.402	C	S	.	.	H	α-helix	trans	-75.4	-18.5	169.6	-82.9	-77.8	0	0	0	114	L38 A64 F66 I223	L38-H68 HydrophobicContact CD1-CB 3.63Å; L38-H68 HydrophobicContact CG-CB 4.06Å; A64-H68 PolarHBondContact O-CD2 2.85Å; A64-H68 PolarHBondContact O-N 3.25Å; F66-H68 VanDerWaalsContact C-N 3.35Å; H68-I223 HydrophobicContact CB-CD1 4.49Å; H68-I223 WeakPolarHBondContact CE1-CD1 3.25Å; H68-I223 VanDerWaalsContact CE1-CG1 3.41Å; H68-I223 WeakPolarHBondContact CE1-CG1 3.04Å; H68-I223 VanDerWaalsContact ND1-CD1 3.31Å; H68-I223 WeakPolarHBondContact ND1-CD1 3.42Å; H68-I223 VanDerWaalsContact NE2-CD1 3.34Å; H68-I223 WeakPolarHBondContact NE2-CD1 3.17Å; H68-I223 VanDerWaalsContact NE2-CG1 3.28Å; H68-I223 WeakPolarHBondContact NE2-CG1 3.27Å
69	R	33.6	Very low	36.6	Very low	129 Å²	129	77.6 Å²	77.6	49%	0.487	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.3	-176.2	-113.6	-172.7	-180	-169.4	-0.4	114.9	L65 F66 S161	L65-R69 PolarHBondContact O-N 3.43Å; F66-R69 PolarHBondContact O-N 2.99Å; R69-S161 PolarHBondContact NH1-OG 3.03Å; R69-S161 VanDerWaalsContact NH1-OG 3.16Å
70	T	30.9	Very low	36.1	Very low	49 Å²	49	84.1 Å²	84.1	30%	0.301	46%	0.458	S	S	.	.	S	Bend	trans	-115.4	12.5	-162.2	48.4	0	0	0	0	118.1	F66 K218	F66-T70 PolarHBondContact O-OG1 3.33Å; T70-K218 HydrophobicContact CG2-CD 4.46Å; T70-K218 HydrophobicContact CG2-CG 4.28Å
71	T	31.8	Very low	35.8	Very low	108 Å²	108	91.6 Å²	91.6	66%	0.663	49%	0.491	S	S	*	.	S	Bend	trans	-122.1	-3.5	179.4	42.9	0	0	0	0	118.4
72	D	29.8	Very low	35.8	Very low	159 Å²	159	98.6 Å²	98.6	85%	0.85	52%	0.52	S	S	*	.	S	Bend	trans	-133.7	46.7	-174.8	-76.4	-38.4	0	0	0	116
73	S	28.5	Very low	35.2	Very low	110 Å²	110	108.2 Å²	108.2	77%	0.769	57%	0.565	S	S	*	*	S	Bend	trans	-131	4.9	175.1	-166.3	0	0	0	0	117.3
74	D	29.7	Very low	34.8	Very low	161 Å²	161	111.9 Å²	111.9	86%	0.861	60%	0.604	S	S	*	*	S	Bend	trans	-134.6	17.5	-175.5	-80	-36.4	0	0	0	116.2
75	T	29.5	Very low	34.5	Very low	123 Å²	123	118.5 Å²	118.5	76%	0.755	64%	0.637	S	S	*	*	S	Bend	trans	-141.6	57.9	178.1	51.3	0	0	0	0	114
76	L	30	Very low	34.8	Very low	185 Å²	185	124.3 Å²	124.3	97%	0.969	67%	0.668	S	S	*	*			trans	-147.5	55.1	158.8	-94.6	174.3	0	0	0	109.8
77	A	29.6	Very low	34.8	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	71%	0.706	S	S	*	*			trans	-143.6	73	165.4	0	0	0	0	0	107.4
78	E	30.7	Very low	34.9	Very low	164 Å²	164	138 Å²	138	77%	0.766	74%	0.742	S	S	*	*	S	Bend	trans	-176.7	124.6	149.2	-105.3	176.9	-147.7	0	0	111.4
79	K	35.4	Very low	35.2	Very low	178 Å²	178	143.4 Å²	143.4	77%	0.774	77%	0.773	S	S	*	*			trans	87.7	87.5	153.8	-63.6	174.2	-175.9	164.4	0	118.4	K81	K79-K81 PolarHBondContact O-N 3.42Å
80	D	32.8	Very low	35.4	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	79%	0.787	S	S	*	*				-34.1	125.1	125.5	-66.3	-50	0	0	0	111.3
81	K	42	Very low	36	Very low	182 Å²	182	150.1 Å²	150.1	79%	0.791	82%	0.816	S	S	*	*				152.3	138.3	120.8	-85.5	-176.5	177.9	-175.8	0	113.2	K79	K79-K81 PolarHBondContact O-N 3.42Å
82	E	42.1	Very low	36.4	Very low	169 Å²	169	153.4 Å²	153.4	79%	0.79	82%	0.824	S	S	*	*			trans	89.5	91.6	150.4	-72.9	164.1	-158	0	0	118.2
83	E	35.3	Very low	36.9	Very low	205 Å²	205	155 Å²	155	96%	0.958	83%	0.826	S	S	*	*			trans	5.4	136	131.1	-59.2	179.7	173.1	0	0	118.4
84	G	35.5	Very low	37.2	Very low	79 Å²	79	157.2 Å²	157.2	81%	0.814	83%	0.825	S	S	*	*			trans	174.1	107.4	163.9	0	0	0	0	0	111.7
85	D	39.9	Very low	37.2	Very low	151 Å²	151	159.7 Å²	159.7	81%	0.807	82%	0.823	S	S	*	*			trans	-57	165.6	-177	-77.8	-46.8	0	0	0	116.9
86	D	46.1	Very low	37.3	Very low	139 Å²	139	157.4 Å²	157.4	74%	0.743	82%	0.824	S	S	*	*			trans	109.4	124.7	139.6	-67.8	-30.7	0	0	0	120.6
87	D	43.7	Very low	37.1	Very low	154 Å²	154	155.3 Å²	155.3	82%	0.824	82%	0.819	S	S	*	*			trans	98.9	103.8	144.5	-60.9	-27.4	0	0	0	121
88	D	38.4	Very low	36.9	Very low	153 Å²	153	154.7 Å²	154.7	82%	0.818	81%	0.814	S	S	*	*			trans	-60.3	144.1	152.8	-74.1	-51.1	0	0	0	111.4
89	D	44.4	Very low	36.7	Very low	166 Å²	166	152 Å²	152	89%	0.888	81%	0.813	S	S	*	*				-175	137.3	125.4	-97.8	-27.8	0	0	0	112.1
90	D	37.7	Very low	36.3	Very low	147 Å²	147	155 Å²	155	79%	0.786	82%	0.82	S	S	*	*			trans	-58	151.9	175.8	-93.2	-48.2	0	0	0	113.8
91	D	43.4	Very low	35.9	Very low	171 Å²	171	152.9 Å²	152.9	91%	0.914	82%	0.817	S	S	*	*			trans	-162.9	132.6	134.2	-95.3	-31.3	0	0	0	112.7
92	Q	40.2	Very low	35.3	Very low	177 Å²	177	152.6 Å²	152.6	83%	0.827	82%	0.819	S	S	*	*			trans	-77.2	154.6	-179.3	-64.3	172.3	2	0	0	112.5
93	E	40	Very low	34.7	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	82%	0.82	S	S	*	*			trans	-174.4	93	136.2	-103.5	-179.5	-156.4	0	0	113.4
94	E	34.3	Very low	34.5	Very low	157 Å²	157	150.3 Å²	150.3	73%	0.734	82%	0.816	S	S	*	*				40.8	126.5	115.1	-160.8	168.7	-178.1	0	0	124.6
95	Y	30.7	Very low	34.2	Very low	212 Å²	212	154.8 Å²	154.8	83%	0.831	81%	0.813	S	S	*	*			trans	56.8	136.9	150.7	-76.3	-63.3	0	0	0	124.8
96	G	30.1	Very low	33.9	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	81%	0.808	S	S	*	*			trans	165.2	88.7	143.9	0	0	0	0	0	117.3
97	V	26.7	Very low	33.2	Very low	141 Å²	141	148.4 Å²	148.4	86%	0.855	80%	0.801	S	S	*	*			trans	-71.8	150	175.5	171.2	0	0	0	0	113.1
98	A	25.3	Very low	32.8	Very low	81 Å²	81	146.3 Å²	146.3	67%	0.669	79%	0.79	S	S	*	*			trans	115.5	113.4	144.3	0	0	0	0	0	117.1
99	S	27.5	Very low	32.6	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	77%	0.766	S	S	*	*				156.1	130.1	99.9	-74.2	0	0	0	0	114.5
100	R	25.1	Very low	32.1	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	76%	0.757	S	S	*	*			trans	62.3	105.1	138.5	-84.6	177.5	161.4	174.2	-5.7	120.4
101	S	25.9	Very low	32	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	75%	0.754	S	S	*	*			trans	-38.5	132.5	142.6	36	0	0	0	0	116.4
102	E	28.6	Very low	31.8	Very low	176 Å²	176	142.7 Å²	142.7	82%	0.822	75%	0.748	S	S	*	*			trans	-132.2	130.7	139.7	-76.4	-162.6	157.9	0	0	108.9	F104	E102-F104 PolarHBondContact O-N 3.24Å
103	P	29.5	Very low	31.7	Very low	126 Å²	126	136.8 Å²	136.8	82%	0.818	72%	0.722	S	S	*	*			trans	-76.3	116	177.6	29.4	-29.2	0	0	0	109.7	K105	P103-K105 PolarHBondContact O-N 3.15Å
104	F	30.6	Very low	31.4	Very low	200 Å²	200	138.4 Å²	138.4	88%	0.877	72%	0.72	S	S	*	*			trans	-64.2	128.6	178.9	-103.8	-95.2	0	0	0	111.6	E102 A106	E102-F104 PolarHBondContact O-N 3.24Å; F104-A106 PolarHBondContact O-N 3.2Å
105	K	30	Very low	31.6	Very low	172 Å²	172	137.7 Å²	137.7	75%	0.748	72%	0.721	S	S	*	*			trans	-62.2	113.6	172.4	-70.8	179.6	-179.9	176	0	109.9	P103 A107	P103-K105 PolarHBondContact O-N 3.15Å; K105-A107 PolarHBondContact O-N 3.13Å
106	A	33.9	Very low	31.8	Very low	84 Å²	84	135.2 Å²	135.2	69%	0.694	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-5.7	178.6	0	0	0	0	0	115.9	F104	F104-A106 PolarHBondContact O-N 3.2Å
107	A	32.1	Very low	32.1	Very low	72 Å²	72	135.7 Å²	135.7	60%	0.595	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-27.6	-176.1	0	0	0	0	0	114.5	K105 S109	K105-A107 PolarHBondContact O-N 3.13Å; A107-S109 PolarHBondContact O-N 3.12Å
108	D	33.8	Very low	32.2	Very low	111 Å²	111	133 Å²	133	59%	0.594	71%	0.707	S	S	*	*	H	α-helix	trans	-79.3	-18.9	-175.1	-83.1	-27.3	0	0	0	113.7
109	S	34.5	Very low	32.5	Very low	45 Å²	45	134.9 Å²	134.9	32%	0.315	71%	0.709	S	S	.	*	H	α-helix	trans	-73.2	-30.7	-178.2	-44.6	0	0	0	0	112.8	A107 L113	A107-S109 PolarHBondContact O-N 3.12Å; S109-L113 WeakPolarHBondContact O-CD1 3.34Å
110	Q	34.5	Very low	32.7	Very low	151 Å²	151	140.3 Å²	140.3	71%	0.706	71%	0.713	S	S	*	*	H	α-helix	trans	-75.4	-25.6	-179.4	-75.2	-170.5	-14.8	0	0	113.2
111	Q	34.5	Very low	33	Very low	152 Å²	152	137.7 Å²	137.7	71%	0.71	71%	0.711	S	S	*	*	H	α-helix	trans	-84.5	-24.4	-176.5	-152.8	162.8	-2.9	0	0	112.9
112	R	40.1	Very low	33.1	Very low	212 Å²	212	138.8 Å²	138.8	80%	0.8	71%	0.708	S	S	*	*	H	α-helix	trans	-78.5	-28.8	175.7	-94	179.3	144.7	-167.4	-6.1	114.2	R114	R112-R114 VanDerWaalsContact C-N 3.27Å; R112-R114 PolarHBondContact O-N 2.85Å
113	L	38.8	Very low	33.1	Very low	54 Å²	54	138.2 Å²	138.2	28%	0.283	71%	0.711	S	S	.	*	G	3₁₀ helix	trans	-72	-16.2	-178.9	-79.1	160.2	0	0	0	113.9	S109 N115 L197 I200	S109-L113 WeakPolarHBondContact O-CD1 3.34Å; L113-N115 VanDerWaalsContact C-N 3.34Å; L113-N115 PolarHBondContact O-N 2.91Å; L113-L197 HydrophobicContact CD1-CD2 4.11Å; L113-L197 HydrophobicContact CD2-CD2 4.24Å; L113-L197 HydrophobicContact CG-CD2 4.35Å; L113-I200 HydrophobicContact CD1-CG2 3.82Å
114	R	33.2	Very low	33	Very low	226 Å²	226	137.1 Å²	137.1	85%	0.853	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-75.8	-13.8	179.9	-103	-177.6	173.5	-177.1	-1.3	115.4	R112	R112-R114 VanDerWaalsContact C-N 3.27Å; R112-R114 PolarHBondContact O-N 2.85Å
115	N	38.6	Very low	32.8	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-111.9	3	-170	-71.3	-11.3	0	0	0	114.8	L113	L113-N115 VanDerWaalsContact C-N 3.34Å; L113-N115 PolarHBondContact O-N 2.91Å
116	Q	35.4	Very low	32.8	Very low	160 Å²	160	131.2 Å²	131.2	75%	0.748	69%	0.689	S	S	*	*			trans	-145.9	89.3	-174.8	-68.7	-176.5	-0.8	0	0	110.7
117	T	35.2	Very low	32.5	Very low	85 Å²	85	131.8 Å²	131.8	52%	0.521	68%	0.684	S	S	.	*			trans	-174.4	81.2	151.9	14.9	0	0	0	0	110.2	V119	T117-V119 HydrophobicContact CG2-CG2 4.09Å
118	G	29.2	Very low	32.4	Very low	86 Å²	86	136 Å²	136	89%	0.887	69%	0.691	S	S	*	*			trans	-90.8	98.3	149.3	0	0	0	0	0	106.9
119	V	32.7	Very low	32.1	Very low	119 Å²	119	136.1 Å²	136.1	72%	0.721	69%	0.692	S	S	*	*			trans	-131.2	132.7	175.1	179.4	0	0	0	0	107.9	T117	T117-V119 HydrophobicContact CG2-CG2 4.09Å
120	R	30.6	Very low	31.7	Very low	223 Å²	223	143 Å²	143	84%	0.842	72%	0.719	S	S	*	*			trans	-67.7	141.9	-165.5	-63.9	164.2	77.6	175.9	3	111.4	D122	R120-D122 VanDerWaalsContact C-N 3.35Å; R120-D122 PolarHBondContact O-N 2.93Å
121	E	31.3	Very low	31.8	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	71%	0.711	S	S	*	*			trans	-81.9	7.8	-164.8	-66.5	170.9	136.8	0	0	115.8	D123	E121-D123 PolarHBondContact O-N 3.49Å; E121-D123 VanDerWaalsContact O-N 3.14Å
122	D	28.1	Very low	31.4	Very low	134 Å²	134	139 Å²	139	72%	0.717	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	80.2	-170.7	-64.5	-42.5	0	0	0	111.7	R120	R120-D122 VanDerWaalsContact C-N 3.35Å; R120-D122 PolarHBondContact O-N 2.93Å
123	D	28.5	Very low	31.1	Very low	164 Å²	164	132 Å²	132	88%	0.877	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.9	8.4	148.1	-91.4	-20	0	0	0	114.9	E121 L125	E121-D123 PolarHBondContact O-N 3.49Å; E121-D123 VanDerWaalsContact O-N 3.14Å; D123-L125 PolarHBondContact O-N 3.14Å
124	V	28.5	Very low	31.3	Very low	104 Å²	104	134.7 Å²	134.7	63%	0.63	73%	0.726	S	S	*	*			trans	-96.8	75.8	179.7	-162.5	0	0	0	0	111.2	V126	V124-V126 HydrophobicContact CG1-CG2 3.56Å; V124-V126 PolarHBondContact O-N 3.09Å
125	L	25.8	Very low	32.3	Very low	165 Å²	165	128.3 Å²	128.3	86%	0.864	71%	0.709	S	S	*	*			trans	-71.8	84.6	159.9	-89.4	160.1	0	0	0	108.5	D123 V127	D123-L125 PolarHBondContact O-N 3.14Å; L125-V127 VanDerWaalsContact C-N 3.31Å; L125-V127 PolarHBondContact O-N 3.23Å
126	V	30.8	Very low	33	Very low	83 Å²	83	127.9 Å²	127.9	50%	0.503	70%	0.702	S	S	.	*			trans	-67.7	97	161.3	-174.3	0	0	0	0	106.4	V124 E128	V124-V126 HydrophobicContact CG1-CG2 3.56Å; V124-V126 PolarHBondContact O-N 3.09Å; V126-E128 HydrophobicContact CG1-CG 3.88Å; V126-E128 PolarHBondContact O-N 3.44Å
127	V	27.2	Very low	34.4	Very low	96 Å²	96	124.6 Å²	124.6	58%	0.582	69%	0.69	S	S	*	*			trans	-69.1	90.7	162.7	-179.9	0	0	0	0	106	L125 N129	L125-V127 VanDerWaalsContact C-N 3.31Å; L125-V127 PolarHBondContact O-N 3.23Å; V127-N129 HydrophobicContact CG1-CB 4.16Å; V127-N129 VanDerWaalsContact CG1-CG 3.46Å; V127-N129 PolarHBondContact O-N 2.9Å
128	E	29.2	Very low	35.4	Very low	159 Å²	159	122.1 Å²	122.1	74%	0.743	67%	0.673	S	S	*	*			trans	-65.9	69.4	162.8	-71.5	-169.4	142.8	0	0	108.7	V126 E130	V126-E128 HydrophobicContact CG1-CG 3.88Å; V126-E128 PolarHBondContact O-N 3.44Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.42Å; E128-E130 VanDerWaalsContact O-N 3.15Å
129	N	28.2	Very low	36.8	Very low	114 Å²	114	121.7 Å²	121.7	61%	0.61	65%	0.65	S	S	*	*			trans	-77.5	97.6	159.9	-82	-12.5	0	0	0	106.2	V127 L131	V127-N129 HydrophobicContact CG1-CB 4.16Å; V127-N129 VanDerWaalsContact CG1-CG 3.46Å; V127-N129 PolarHBondContact O-N 2.9Å; N129-L131 VanDerWaalsContact C-N 3.27Å; N129-L131 PolarHBondContact O-N 2.96Å
130	E	26.4	Very low	38.3	Very low	189 Å²	189	122.1 Å²	122.1	88%	0.883	64%	0.642	S	S	*	*			trans	-50.2	96.4	157.2	-70.4	-173.5	144.8	0	0	107.9	E128 P132	E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.42Å; E128-E130 VanDerWaalsContact O-N 3.15Å; E130-P132 WeakPolarHBondContact O-CD 3.36Å
131	L	34.8	Very low	39.7	Very low	101 Å²	101	112.7 Å²	112.7	53%	0.529	61%	0.609	S	S	.	*			trans	-72.8	118.5	173.9	-87.9	164.4	0	0	0	108.2	N129 G133	N129-L131 VanDerWaalsContact C-N 3.27Å; N129-L131 PolarHBondContact O-N 2.96Å; L131-G133 PolarHBondContact O-N 2.91Å
132	P	27.7	Very low	41	Very low	118 Å²	118	105.1 Å²	105.1	77%	0.766	58%	0.575	S	S	*	*			trans	-76.1	121.1	-177.6	30.4	-31	0	0	0	109.5	E130	E130-P132 WeakPolarHBondContact O-CD 3.36Å
133	G	34	Very low	42.6	Very low	66 Å²	66	105 Å²	105	68%	0.68	57%	0.569	S	S	*	*	S	Bend	trans	73.4	114.7	169.5	0	0	0	0	0	114	L131 D135	L131-G133 PolarHBondContact O-N 2.91Å; G133-D135 VanDerWaalsContact C-N 3.33Å; G133-D135 PolarHBondContact O-N 2.98Å
134	V	42.8	Very low	44.1	Very low	110 Å²	110	98.2 Å²	98.2	67%	0.667	54%	0.537	S	S	*	.			trans	-62.7	99.2	165.5	178.3	0	0	0	0	107.2	E136 I139	V134-E136 PolarHBondContact O-N 3.18Å; V134-I139 HydrophobicContact CG1-CD1 3.91Å; V134-I139 HydrophobicContact CG1-CG1 3.86Å
135	D	53.2	Low	45.7	Very low	92 Å²	92	93.3 Å²	93.3	49%	0.492	51%	0.507	S	S	.	.			trans	-59.2	130.6	177.8	-169.9	-13	0	0	0	108.5	G133 N137 L138	G133-D135 VanDerWaalsContact C-N 3.33Å; G133-D135 PolarHBondContact O-N 2.98Å; D135-N137 HydrophobicContact CB-CB 4.43Å; D135-N137 PolarHBondContact O-N 2.88Å; D135-N137 PolarHBondContact OD1-N 3.44Å; D135-N137 PolarHBondContact OD1-ND2 3.01Å; D135-N137 VanDerWaalsContact OD1-ND2 3.09Å; D135-N137 PolarHBondContact OD2-ND2 3.39Å; D135-L138 PolarHBondContact O-N 3.14Å
136	E	52.7	Low	47	Very low	134 Å²	134	85.6 Å²	85.6	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-50.4	-25.8	175	-72.8	-173	172.6	0	0	111.9	V134 K140	V134-E136 PolarHBondContact O-N 3.18Å; E136-K140 WeakPolarHBondContact O-CG 3.24Å; E136-K140 PolarHBondContact O-N 3.47Å; E136-K140 VanDerWaalsContact O-N 3.12Å; E136-K140 IonicContact OE2-NZ 2.9Å
137	N	65	Low	48.1	Very low	91 Å²	91	83.4 Å²	83.4	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-41.1	173.4	-66.5	-35.1	0	0	0	113	D135 K140 T141	D135-N137 HydrophobicContact CB-CB 4.43Å; D135-N137 PolarHBondContact O-N 2.88Å; D135-N137 PolarHBondContact OD1-N 3.44Å; D135-N137 PolarHBondContact OD1-ND2 3.01Å; D135-N137 VanDerWaalsContact OD1-ND2 3.09Å; D135-N137 PolarHBondContact OD2-ND2 3.39Å; N137-K140 PolarHBondContact O-N 2.98Å; N137-T141 WeakPolarHBondContact O-CB 3.48Å; N137-T141 PolarHBondContact O-N 3.19Å; N137-T141 PolarHBondContact O-OG1 3.4Å
138	L	57.3	Low	49.4	Very low	32 Å²	32	79.7 Å²	79.7	17%	0.168	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-43.1	-179.8	-178.4	62.4	0	0	0	111.2	D135 K140 T141 V142 I166 H170	D135-L138 PolarHBondContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.49Å; L138-T141 PolarHBondContact O-N 3.45Å; L138-V142 HydrophobicContact CD1-CG2 4.25Å; L138-V142 HydrophobicContact CG-CG2 4.38Å; L138-V142 WeakPolarHBondContact O-CB 3.45Å; L138-V142 VanDerWaalsContact O-CG2 3.27Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 2.86Å; L138-I166 HydrophobicContact CD1-CG2 3.82Å; L138-H170 HydrophobicContact CD1-CB 3.79Å; L138-H170 HydrophobicContact CD2-CB 3.71Å; L138-H170 HydrophobicContact CG-CB 4.41Å
139	I	58.9	Low	50.4	Low	77 Å²	77	74.4 Å²	74.4	40%	0.395	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-42	177.1	-62.6	175.2	0	0	0	110.3	V134 K143	V134-I139 HydrophobicContact CG1-CD1 3.91Å; V134-I139 HydrophobicContact CG1-CG1 3.86Å; I139-K143 VanDerWaalsContact O-CB 3.31Å; I139-K143 WeakPolarHBondContact O-CB 3.34Å; I139-K143 PolarHBondContact O-N 3.5Å
140	K	63.1	Low	51.4	Low	128 Å²	128	73 Å²	73	56%	0.557	40%	0.4	S	S	*	.	H	α-helix	trans	-63.2	-42.2	175.1	-73.8	171.2	-171.5	162.1	0	112	E136 N137 L138 K143 G144	E136-K140 WeakPolarHBondContact O-CG 3.24Å; E136-K140 PolarHBondContact O-N 3.47Å; E136-K140 VanDerWaalsContact O-N 3.12Å; E136-K140 IonicContact OE2-NZ 2.9Å; N137-K140 PolarHBondContact O-N 2.98Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.49Å; K140-K143 PolarHBondContact O-N 2.91Å; K140-G144 PolarHBondContact O-N 3.48Å
141	T	61.4	Low	52.4	Low	25 Å²	25	67.2 Å²	67.2	15%	0.153	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-47.6	177.3	-63.7	0	0	0	0	111.8	N137 L138 K143 G144 F145 M163 I166 I167	N137-T141 WeakPolarHBondContact O-CB 3.48Å; N137-T141 PolarHBondContact O-N 3.19Å; N137-T141 PolarHBondContact O-OG1 3.4Å; L138-T141 PolarHBondContact O-N 3.45Å; T141-K143 VanDerWaalsContact C-N 3.31Å; T141-K143 PolarHBondContact O-N 2.69Å; T141-G144 PolarHBondContact O-N 3.42Å; T141-F145 VanDerWaalsContact O-CB 3.27Å; T141-F145 WeakPolarHBondContact O-CB 3.46Å; T141-F145 PolarHBondContact O-N 3.48Å; T141-M163 HydrophobicContact CG2-CB 3.81Å; T141-M163 HydrophobicContact CG2-CG 3.93Å; T141-I166 HydrophobicContact CG2-CB 4.13Å; T141-I166 HydrophobicContact CG2-CD1 4.36Å; T141-I166 HydrophobicContact CG2-CG2 3.93Å; T141-I167 HydrophobicContact CG2-CD1 4.49Å; T141-I167 HydrophobicContact CG2-CG1 4.25Å
142	V	58.6	Low	53.3	Low	25 Å²	25	69.2 Å²	69.2	15%	0.152	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-44.6	176.5	172.3	0	0	0	0	110.6	L54 L138 A146 I167 V171	L54-V142 HydrophobicContact CD1-CG1 4.49Å; L54-V142 HydrophobicContact CD2-CG1 3.57Å; L54-V142 HydrophobicContact CG-CG1 3.89Å; L138-V142 HydrophobicContact CD1-CG2 4.25Å; L138-V142 HydrophobicContact CG-CG2 4.38Å; L138-V142 WeakPolarHBondContact O-CB 3.45Å; L138-V142 VanDerWaalsContact O-CG2 3.27Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 2.86Å; V142-A146 WeakPolarHBondContact O-CB 3.46Å; V142-A146 PolarHBondContact O-N 3.02Å; V142-I167 HydrophobicContact CG2-CD1 4.5Å; V142-I167 HydrophobicContact CG2-CG1 4.01Å; V142-V171 HydrophobicContact CG2-CG2 4.07Å
143	K	60.2	Low	54.4	Low	133 Å²	133	66.7 Å²	66.7	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-67.2	-44	177.9	-173.6	177.2	178.6	-178	0	112.6	I139 K140 T141 F145 A146 D147	I139-K143 VanDerWaalsContact O-CB 3.31Å; I139-K143 WeakPolarHBondContact O-CB 3.34Å; I139-K143 PolarHBondContact O-N 3.5Å; K140-K143 PolarHBondContact O-N 2.91Å; T141-K143 VanDerWaalsContact C-N 3.31Å; T141-K143 PolarHBondContact O-N 2.69Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.02Å; K143-A146 PolarHBondContact O-N 3.42Å; K143-D147 WeakPolarHBondContact O-CB 3.05Å; K143-D147 PolarHBondContact O-N 3.28Å
144	G	60.2	Low	55.4	Low	21 Å²	21	70.3 Å²	70.3	22%	0.216	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-40	177.3	0	0	0	0	0	111.8	K140 T141 D147 A148	K140-G144 PolarHBondContact O-N 3.48Å; T141-G144 PolarHBondContact O-N 3.42Å; G144-D147 PolarHBondContact O-N 3.38Å; G144-A148 WeakPolarHBondContact O-CB 3.17Å; G144-A148 PolarHBondContact O-N 2.97Å
145	F	62.2	Low	55.8	Low	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.9	-46.8	172	-170.4	-81.7	0	0	0	111.8	I62 L65 T141 K143 A148 F149 F160 M163 L164 I167	I62-F145 HydrophobicContact CB-CE1 4.39Å; I62-F145 HydrophobicContact CD1-CD1 3.99Å; I62-F145 HydrophobicContact CD1-CE1 4.07Å; I62-F145 HydrophobicContact CG1-CD1 3.71Å; I62-F145 HydrophobicContact CG1-CE1 3.27Å; I62-F145 HydrophobicContact CG1-CZ 4.16Å; L65-F145 HydrophobicContact CD1-CE1 4.1Å; L65-F145 HydrophobicContact CD1-CZ 3.8Å; T141-F145 VanDerWaalsContact O-CB 3.27Å; T141-F145 WeakPolarHBondContact O-CB 3.46Å; T141-F145 PolarHBondContact O-N 3.48Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.02Å; F145-A148 PolarHBondContact O-N 3.43Å; F145-F149 VanDerWaalsContact O-CB 3.31Å; F145-F149 WeakPolarHBondContact O-CB 3.2Å; F145-F149 PolarHBondContact O-N 3.44Å; F145-F160 HydrophobicContact CD2-CE2 4.3Å; F145-F160 HydrophobicContact CE1-CZ 4.35Å; F145-F160 HydrophobicContact CE2-CD1 4.27Å; F145-F160 HydrophobicContact CE2-CD2 4.08Å; F145-F160 AromaticContact CE2-CE1 3.78Å; F145-F160 HydrophobicContact CE2-CE1 3.78Å; F145-F160 AromaticContact CE2-CE2 3.57Å; F145-F160 HydrophobicContact CE2-CE2 3.57Å; F145-F160 HydrophobicContact CE2-CG 4.4Å; F145-F160 AromaticContact CE2-CZ 3.4Å; F145-F160 HydrophobicContact CE2-CZ 3.4Å; F145-F160 VanDerWaalsContact CE2-CZ 3.4Å; F145-F160 AromaticContact CZ-CE1 3.97Å; F145-F160 HydrophobicContact CZ-CE1 3.97Å; F145-F160 AromaticContact CZ-CE2 3.72Å; F145-F160 HydrophobicContact CZ-CE2 3.72Å; F145-F160 AromaticContact CZ-CZ 3.32Å; F145-F160 HydrophobicContact CZ-CZ 3.32Å; F145-M163 HydrophobicContact CD2-CB 3.95Å; F145-L164 HydrophobicContact CE2-CB 4.04Å; F145-L164 HydrophobicContact CE2-CD1 3.49Å; F145-L164 VanDerWaalsContact CE2-CD1 3.49Å; F145-L164 HydrophobicContact CE2-CG 4.38Å; F145-L164 HydrophobicContact CZ-CD1 3.48Å; F145-L164 VanDerWaalsContact CZ-CD1 3.48Å; F145-I167 HydrophobicContact CB-CD1 3.46Å; F145-I167 VanDerWaalsContact CB-CD1 3.46Å; F145-I167 HydrophobicContact CD1-CD1 4.07Å; F145-I167 HydrophobicContact CD2-CD1 3.81Å; F145-I167 HydrophobicContact CG-CD1 3.47Å; F145-I167 VanDerWaalsContact CG-CD1 3.47Å
146	A	53.1	Low	55.6	Low	4 Å²	4	65 Å²	65	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-40.7	177.4	0	0	0	0	0	112.3	E58 V142 K143 A148 F149 N150	E58-A146 HydrophobicContact CG-CB 4.26Å; E58-A146 WeakPolarHBondContact OE1-CB 3.27Å; V142-A146 WeakPolarHBondContact O-CB 3.46Å; V142-A146 PolarHBondContact O-N 3.02Å; K143-A146 PolarHBondContact O-N 3.42Å; A146-A148 VanDerWaalsContact C-N 3.35Å; A146-F149 PolarHBondContact O-N 2.9Å; A146-N150 VanDerWaalsContact O-CB 3.31Å; A146-N150 WeakPolarHBondContact O-CB 3.41Å; A146-N150 PolarHBondContact O-N 3.11Å; A146-N150 PolarHBondContact O-ND2 3.32Å
147	D	53.9	Low	55.4	Low	37 Å²	37	61.8 Å²	61.8	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-38.1	176.6	-77.7	-29.5	0	0	0	111.4	K143 G144 N150 G151 K152 V153	K143-D147 WeakPolarHBondContact O-CB 3.05Å; K143-D147 PolarHBondContact O-N 3.28Å; G144-D147 PolarHBondContact O-N 3.38Å; D147-N150 PolarHBondContact O-N 2.88Å; D147-G151 PolarHBondContact O-N 3.48Å; D147-K152 HydrophobicContact CB-CB 4.28Å; D147-K152 HydrophobicContact CB-CD 4.43Å; D147-K152 WeakPolarHBondContact O-CB 3.35Å; D147-K152 PolarHBondContact O-N 2.81Å; D147-K152 WeakPolarHBondContact OD1-CD 3.33Å; D147-K152 IonicContact OD1-NZ 3.74Å; D147-K152 PolarHBondContact OD1-NZ 3.16Å; D147-V153 HydrophobicContact CB-CG2 4.06Å; D147-V153 PolarHBondContact O-N 3.48Å
148	A	54.2	Low	54.5	Low	17 Å²	17	66.2 Å²	66.2	14%	0.14	36%	0.364	C	S	.	.	H	α-helix	trans	-67.6	-43.1	173.2	0	0	0	0	0	112.7	G144 F145 A146 N150 G151 V153 L155	G144-A148 WeakPolarHBondContact O-CB 3.17Å; G144-A148 PolarHBondContact O-N 2.97Å; F145-A148 PolarHBondContact O-N 3.43Å; A146-A148 VanDerWaalsContact C-N 3.35Å; A148-N150 VanDerWaalsContact C-N 3.25Å; A148-N150 PolarHBondContact O-N 3.47Å; A148-G151 PolarHBondContact O-N 3.19Å; A148-V153 VanDerWaalsContact CA-O 3.31Å; A148-V153 WeakPolarHBondContact CA-O 3.22Å; A148-V153 HydrophobicContact CB-CB 4.46Å; A148-L155 HydrophobicContact CB-CB 4.49Å; A148-L155 HydrophobicContact CB-CD1 3.27Å; A148-L155 HydrophobicContact CB-CG 3.54Å
149	F	50.8	Low	54.2	Low	49 Å²	49	68.9 Å²	68.9	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-57.6	-40.9	174.1	-172.4	-85	0	0	0	111.7	S61 L65 F145 A146 G151	S61-F149 VanDerWaalsContact CB-CD1 3.5Å; S61-F149 VanDerWaalsContact CB-CE2 3.47Å; S61-F149 WeakPolarHBondContact OG-CE1 3.32Å; S61-F149 WeakPolarHBondContact OG-CZ 3.38Å; L65-F149 HydrophobicContact CD1-CD2 3.37Å; L65-F149 HydrophobicContact CD1-CE2 3.42Å; L65-F149 VanDerWaalsContact CD1-CE2 3.42Å; L65-F149 HydrophobicContact CG-CD2 4.44Å; L65-F149 HydrophobicContact CG-CE2 4.06Å; F145-F149 VanDerWaalsContact O-CB 3.31Å; F145-F149 WeakPolarHBondContact O-CB 3.2Å; F145-F149 PolarHBondContact O-N 3.44Å; A146-F149 PolarHBondContact O-N 2.9Å; F149-G151 PolarHBondContact O-N 3.16Å
150	N	48.9	Very low	54.1	Low	85 Å²	85	66.9 Å²	66.9	46%	0.455	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	7.7	177.4	-70.1	-48.8	0	0	0	113.7	A146 D147 A148 K152	A146-N150 VanDerWaalsContact O-CB 3.31Å; A146-N150 WeakPolarHBondContact O-CB 3.41Å; A146-N150 PolarHBondContact O-N 3.11Å; A146-N150 PolarHBondContact O-ND2 3.32Å; D147-N150 PolarHBondContact O-N 2.88Å; A148-N150 VanDerWaalsContact C-N 3.25Å; A148-N150 PolarHBondContact O-N 3.47Å; N150-K152 HydrophobicContact CB-CG 4.31Å; N150-K152 PolarHBondContact O-N 2.71Å
151	G	48.2	Very low	53.5	Low	66 Å²	66	62.3 Å²	62.3	68%	0.68	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	13.6	178.6	0	0	0	0	0	115	D147 A148 F149	D147-G151 PolarHBondContact O-N 3.48Å; A148-G151 PolarHBondContact O-N 3.19Å; F149-G151 PolarHBondContact O-N 3.16Å
152	K	52.8	Low	53.4	Low	144 Å²	144	63.5 Å²	63.5	63%	0.626	36%	0.356	S	S	*	.	S	Bend	trans	-81.4	-23.9	177.6	-58.2	179.6	-165.3	159.4	0	112.5	D147 N150	D147-K152 HydrophobicContact CB-CB 4.28Å; D147-K152 HydrophobicContact CB-CD 4.43Å; D147-K152 WeakPolarHBondContact O-CB 3.35Å; D147-K152 PolarHBondContact O-N 2.81Å; D147-K152 WeakPolarHBondContact OD1-CD 3.33Å; D147-K152 IonicContact OD1-NZ 3.74Å; D147-K152 PolarHBondContact OD1-NZ 3.16Å; N150-K152 HydrophobicContact CB-CG 4.31Å; N150-K152 PolarHBondContact O-N 2.71Å
153	V	52.3	Low	53.6	Low	65 Å²	65	64.2 Å²	64.2	39%	0.394	36%	0.358	S	S	.	.	S	Bend	trans	-132.7	136.4	-179.5	178.3	0	0	0	0	108.5	D147 A148 L155	D147-V153 HydrophobicContact CB-CG2 4.06Å; D147-V153 PolarHBondContact O-N 3.48Å; A148-V153 VanDerWaalsContact CA-O 3.31Å; A148-V153 WeakPolarHBondContact CA-O 3.22Å; A148-V153 HydrophobicContact CB-CB 4.46Å; V153-L155 HydrophobicContact CG1-CD2 4.02Å; V153-L155 HydrophobicContact CG1-CG 4.42Å
154	V	54.2	Low	53.6	Low	142 Å²	142	58.1 Å²	58.1	86%	0.861	33%	0.332	S	S	*	.			trans	-91.5	123	170.4	-178.7	0	0	0	0	107.7
155	L	50.9	Low	53.6	Low	37 Å²	37	60.4 Å²	60.4	19%	0.194	34%	0.339	C	S	.	.			trans	-108.2	144.6	173.2	-64.6	178.6	0	0	0	109.8	A148 V153 E159 F160 M163	A148-L155 HydrophobicContact CB-CB 4.49Å; A148-L155 HydrophobicContact CB-CD1 3.27Å; A148-L155 HydrophobicContact CB-CG 3.54Å; V153-L155 HydrophobicContact CG1-CD2 4.02Å; V153-L155 HydrophobicContact CG1-CG 4.42Å; L155-E159 HydrophobicContact CB-CB 4.21Å; L155-E159 HydrophobicContact CD2-CB 4.24Å; L155-F160 HydrophobicContact CB-CB 4.34Å; L155-F160 HydrophobicContact CD1-CD2 4.2Å; L155-M163 HydrophobicContact CD1-CE 4.01Å; L155-M163 HydrophobicContact CD1-SD 3.56Å; L155-M163 VanDerWaalsContact CD1-SD 3.56Å; L155-M163 HydrophobicContact CD2-CE 3.76Å; L155-M163 HydrophobicContact CD2-SD 4.43Å
156	S	49.2	Very low	53.5	Low	54 Å²	54	63 Å²	63	38%	0.378	35%	0.353	S	S	.	.			trans	-64.3	156.5	163.5	66.4	0	0	0	0	110.5	Y158 E159 F160	S156-Y158 PolarHBondContact O-N 3.3Å; S156-E159 VanDerWaalsContact CB-OE2 3.29Å; S156-E159 WeakPolarHBondContact CB-OE2 3.45Å; S156-E159 PolarHBondContact N-OE2 2.64Å; S156-E159 PolarHBondContact O-N 2.91Å; S156-E159 VanDerWaalsContact O-N 3.16Å; S156-E159 WeakPolarHBondContact OG-CB 3.4Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.19Å; S156-E159 PolarHBondContact OG-N 2.82Å; S156-E159 VanDerWaalsContact OG-N 3.16Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; S156-F160 WeakPolarHBondContact O-CB 3.19Å; S156-F160 PolarHBondContact O-N 2.65Å
157	A	47.9	Very low	53.8	Low	65 Å²	65	62.9 Å²	62.9	54%	0.537	35%	0.351	S	S	.	.	H	α-helix	trans	-56.9	-33.8	176.2	0	0	0	0	0	112.5	S161	A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 3.34Å
158	Y	47.4	Very low	54	Low	184 Å²	184	63 Å²	63	72%	0.722	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-49	175.5	177.2	-100.3	0	0	0	112.1	S156 F160 S161 T162	S156-Y158 PolarHBondContact O-N 3.3Å; Y158-F160 VanDerWaalsContact C-N 3.32Å; Y158-F160 PolarHBondContact O-N 2.93Å; Y158-S161 PolarHBondContact O-N 3.01Å; Y158-T162 WeakPolarHBondContact O-CB 3.27Å; Y158-T162 PolarHBondContact O-N 3.29Å; Y158-T162 PolarHBondContact O-OG1 3.35Å
159	E	51.1	Low	54.3	Low	88 Å²	88	68.1 Å²	68.1	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-44.9	176.9	-73	163.9	134.7	0	0	110.7	L155 S156 S161 T162 M163	L155-E159 HydrophobicContact CB-CB 4.21Å; L155-E159 HydrophobicContact CD2-CB 4.24Å; S156-E159 VanDerWaalsContact CB-OE2 3.29Å; S156-E159 WeakPolarHBondContact CB-OE2 3.45Å; S156-E159 PolarHBondContact N-OE2 2.64Å; S156-E159 PolarHBondContact O-N 2.91Å; S156-E159 VanDerWaalsContact O-N 3.16Å; S156-E159 WeakPolarHBondContact OG-CB 3.4Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.19Å; S156-E159 PolarHBondContact OG-N 2.82Å; S156-E159 VanDerWaalsContact OG-N 3.16Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; E159-S161 PolarHBondContact O-N 3.49Å; E159-T162 PolarHBondContact O-N 2.9Å; E159-M163 WeakPolarHBondContact O-CB 3.21Å; E159-M163 VanDerWaalsContact O-CG 3.26Å; E159-M163 WeakPolarHBondContact O-CG 2.87Å; E159-M163 PolarHBondContact O-N 3.24Å
160	F	55.6	Low	54.6	Low	35 Å²	35	69.2 Å²	69.2	15%	0.154	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-49	177.2	-169.9	-86.1	0	0	0	111.8	L65 F145 L155 S156 Y158 T162 M163 L164	L65-F160 HydrophobicContact CD1-CE1 4.42Å; L65-F160 HydrophobicContact CD1-CZ 3.61Å; L65-F160 HydrophobicContact CD2-CE1 3.89Å; L65-F160 HydrophobicContact CD2-CZ 3.59Å; L65-F160 HydrophobicContact CG-CZ 4.25Å; F145-F160 HydrophobicContact CD2-CE2 4.3Å; F145-F160 HydrophobicContact CE1-CZ 4.35Å; F145-F160 HydrophobicContact CE2-CD1 4.27Å; F145-F160 HydrophobicContact CE2-CD2 4.08Å; F145-F160 AromaticContact CE2-CE1 3.78Å; F145-F160 HydrophobicContact CE2-CE1 3.78Å; F145-F160 AromaticContact CE2-CE2 3.57Å; F145-F160 HydrophobicContact CE2-CE2 3.57Å; F145-F160 HydrophobicContact CE2-CG 4.4Å; F145-F160 AromaticContact CE2-CZ 3.4Å; F145-F160 HydrophobicContact CE2-CZ 3.4Å; F145-F160 VanDerWaalsContact CE2-CZ 3.4Å; F145-F160 AromaticContact CZ-CE1 3.97Å; F145-F160 HydrophobicContact CZ-CE1 3.97Å; F145-F160 AromaticContact CZ-CE2 3.72Å; F145-F160 HydrophobicContact CZ-CE2 3.72Å; F145-F160 AromaticContact CZ-CZ 3.32Å; F145-F160 HydrophobicContact CZ-CZ 3.32Å; L155-F160 HydrophobicContact CB-CB 4.34Å; L155-F160 HydrophobicContact CD1-CD2 4.2Å; S156-F160 WeakPolarHBondContact O-CB 3.19Å; S156-F160 PolarHBondContact O-N 2.65Å; Y158-F160 VanDerWaalsContact C-N 3.32Å; Y158-F160 PolarHBondContact O-N 2.93Å; F160-T162 VanDerWaalsContact C-N 3.35Å; F160-T162 PolarHBondContact O-N 2.94Å; F160-M163 PolarHBondContact O-N 3.02Å; F160-L164 HydrophobicContact CE1-CD2 4.36Å; F160-L164 VanDerWaalsContact O-CB 3.23Å; F160-L164 WeakPolarHBondContact O-CB 3.26Å; F160-L164 PolarHBondContact O-N 2.87Å
161	S	51.8	Low	55.1	Low	33 Å²	33	66.1 Å²	66.1	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-40.8	179	-154.6	0	0	0	0	112	R69 A157 Y158 E159 L164 D165	R69-S161 PolarHBondContact NH1-OG 3.03Å; R69-S161 VanDerWaalsContact NH1-OG 3.16Å; A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 3.34Å; Y158-S161 PolarHBondContact O-N 3.01Å; E159-S161 PolarHBondContact O-N 3.49Å; S161-L164 WeakPolarHBondContact O-CB 3.47Å; S161-L164 PolarHBondContact O-N 3.39Å; S161-D165 VanDerWaalsContact O-CG 3.25Å; S161-D165 PolarHBondContact O-N 2.8Å
162	T	58	Low	55.6	Low	50 Å²	50	67.9 Å²	67.9	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-45.3	179.2	-56.6	0	0	0	0	111.2	Y158 E159 F160 L164 D165 I166	Y158-T162 WeakPolarHBondContact O-CB 3.27Å; Y158-T162 PolarHBondContact O-N 3.29Å; Y158-T162 PolarHBondContact O-OG1 3.35Å; E159-T162 PolarHBondContact O-N 2.9Å; F160-T162 VanDerWaalsContact C-N 3.35Å; F160-T162 PolarHBondContact O-N 2.94Å; T162-L164 VanDerWaalsContact C-N 3.27Å; T162-L164 PolarHBondContact O-N 3.44Å; T162-D165 PolarHBondContact O-N 3.2Å; T162-I166 HydrophobicContact CG2-CD1 4.15Å; T162-I166 WeakPolarHBondContact O-CD1 3.49Å; T162-I166 VanDerWaalsContact O-CG1 3.27Å; T162-I166 WeakPolarHBondContact O-CG1 3.36Å; T162-I166 PolarHBondContact O-N 3.42Å; T162-I166 VanDerWaalsContact O-N 3.11Å
163	M	62.8	Low	55.9	Low	40 Å²	40	62.4 Å²	62.4	20%	0.197	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-40.4	175.7	-69.8	-172.3	-170.3	0	0	111.2	T141 F145 L155 E159 F160 I166 I167	T141-M163 HydrophobicContact CG2-CB 3.81Å; T141-M163 HydrophobicContact CG2-CG 3.93Å; F145-M163 HydrophobicContact CD2-CB 3.95Å; L155-M163 HydrophobicContact CD1-CE 4.01Å; L155-M163 HydrophobicContact CD1-SD 3.56Å; L155-M163 VanDerWaalsContact CD1-SD 3.56Å; L155-M163 HydrophobicContact CD2-CE 3.76Å; L155-M163 HydrophobicContact CD2-SD 4.43Å; E159-M163 WeakPolarHBondContact O-CB 3.21Å; E159-M163 VanDerWaalsContact O-CG 3.26Å; E159-M163 WeakPolarHBondContact O-CG 2.87Å; E159-M163 PolarHBondContact O-N 3.24Å; F160-M163 PolarHBondContact O-N 3.02Å; M163-I166 PolarHBondContact O-N 2.64Å; M163-I167 WeakPolarHBondContact O-CB 3.4Å; M163-I167 WeakPolarHBondContact O-CD1 3.21Å; M163-I167 WeakPolarHBondContact O-CG1 3.29Å; M163-I167 PolarHBondContact O-N 3.28Å
164	L	61.5	Low	56.3	Low	4 Å²	4	62.7 Å²	62.7	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-46	178.2	-166.6	71.7	0	0	0	112.1	F66 F145 F160 S161 T162 I166 I167 Q168	F66-L164 HydrophobicContact CD1-CD1 4.26Å; F66-L164 HydrophobicContact CD1-CD2 3.99Å; F66-L164 HydrophobicContact CD1-CG 4.28Å; F66-L164 HydrophobicContact CE1-CD1 3.34Å; F66-L164 HydrophobicContact CE1-CD2 3.31Å; F66-L164 HydrophobicContact CE1-CG 3.2Å; F66-L164 HydrophobicContact CE2-CD1 3.87Å; F66-L164 HydrophobicContact CZ-CD1 3.09Å; F66-L164 HydrophobicContact CZ-CD2 4.01Å; F66-L164 HydrophobicContact CZ-CG 3.37Å; F145-L164 HydrophobicContact CE2-CB 4.04Å; F145-L164 HydrophobicContact CE2-CD1 3.49Å; F145-L164 VanDerWaalsContact CE2-CD1 3.49Å; F145-L164 HydrophobicContact CE2-CG 4.38Å; F145-L164 HydrophobicContact CZ-CD1 3.48Å; F145-L164 VanDerWaalsContact CZ-CD1 3.48Å; F160-L164 HydrophobicContact CE1-CD2 4.36Å; F160-L164 VanDerWaalsContact O-CB 3.23Å; F160-L164 WeakPolarHBondContact O-CB 3.26Å; F160-L164 PolarHBondContact O-N 2.87Å; S161-L164 WeakPolarHBondContact O-CB 3.47Å; S161-L164 PolarHBondContact O-N 3.39Å; T162-L164 VanDerWaalsContact C-N 3.27Å; T162-L164 PolarHBondContact O-N 3.44Å; L164-I166 VanDerWaalsContact C-N 3.35Å; L164-I166 PolarHBondContact O-N 3.43Å; L164-I167 PolarHBondContact O-N 2.91Å; L164-Q168 WeakPolarHBondContact O-CG 3.44Å; L164-Q168 PolarHBondContact O-N 3.36Å
165	D	58.5	Low	56.8	Low	70 Å²	70	57 Å²	57	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-42.9	178	-69.7	-21.4	0	0	0	111.4	S161 T162 I167 Q168 Q169	S161-D165 VanDerWaalsContact O-CG 3.25Å; S161-D165 PolarHBondContact O-N 2.8Å; T162-D165 PolarHBondContact O-N 3.2Å; D165-I167 VanDerWaalsContact C-N 3.34Å; D165-I167 PolarHBondContact O-N 3.44Å; D165-Q168 PolarHBondContact O-N 3.13Å; D165-Q169 VanDerWaalsContact O-CG 3.29Å; D165-Q169 WeakPolarHBondContact O-CG 3.25Å; D165-Q169 PolarHBondContact O-N 3.03Å; D165-Q169 VanDerWaalsContact O-N 3.13Å
166	I	60.8	Low	57.4	Low	55 Å²	55	58.7 Å²	58.7	28%	0.282	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-45.9	174.9	-67.6	166.3	0	0	0	110.3	L138 T141 T162 M163 L164 Q168 Q169 H170	L138-I166 HydrophobicContact CD1-CG2 3.82Å; T141-I166 HydrophobicContact CG2-CB 4.13Å; T141-I166 HydrophobicContact CG2-CD1 4.36Å; T141-I166 HydrophobicContact CG2-CG2 3.93Å; T162-I166 HydrophobicContact CG2-CD1 4.15Å; T162-I166 WeakPolarHBondContact O-CD1 3.49Å; T162-I166 VanDerWaalsContact O-CG1 3.27Å; T162-I166 WeakPolarHBondContact O-CG1 3.36Å; T162-I166 PolarHBondContact O-N 3.42Å; T162-I166 VanDerWaalsContact O-N 3.11Å; M163-I166 PolarHBondContact O-N 2.64Å; L164-I166 VanDerWaalsContact C-N 3.35Å; L164-I166 PolarHBondContact O-N 3.43Å; I166-Q168 PolarHBondContact O-N 3.09Å; I166-Q169 PolarHBondContact O-N 2.96Å; I166-H170 WeakPolarHBondContact O-CB 3.37Å; I166-H170 PolarHBondContact O-CD2 2.7Å; I166-H170 PolarHBondContact O-N 3.38Å; I166-H170 VanDerWaalsContact O-N 3.14Å
167	I	60.2	Low	57.9	Low	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-45	179.8	-71.5	166.7	0	0	0	110.7	T141 V142 F145 M163 L164 D165 Q169 H170 V171 L210	T141-I167 HydrophobicContact CG2-CD1 4.49Å; T141-I167 HydrophobicContact CG2-CG1 4.25Å; V142-I167 HydrophobicContact CG2-CD1 4.5Å; V142-I167 HydrophobicContact CG2-CG1 4.01Å; F145-I167 HydrophobicContact CB-CD1 3.46Å; F145-I167 VanDerWaalsContact CB-CD1 3.46Å; F145-I167 HydrophobicContact CD1-CD1 4.07Å; F145-I167 HydrophobicContact CD2-CD1 3.81Å; F145-I167 HydrophobicContact CG-CD1 3.47Å; F145-I167 VanDerWaalsContact CG-CD1 3.47Å; M163-I167 WeakPolarHBondContact O-CB 3.4Å; M163-I167 WeakPolarHBondContact O-CD1 3.21Å; M163-I167 WeakPolarHBondContact O-CG1 3.29Å; M163-I167 PolarHBondContact O-N 3.28Å; L164-I167 PolarHBondContact O-N 2.91Å; D165-I167 VanDerWaalsContact C-N 3.34Å; D165-I167 PolarHBondContact O-N 3.44Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.93Å; I167-H170 PolarHBondContact O-N 3.43Å; I167-V171 HydrophobicContact CB-CG2 4.4Å; I167-V171 HydrophobicContact CG2-CB 4.27Å; I167-V171 HydrophobicContact CG2-CG2 3.86Å; I167-V171 WeakPolarHBondContact O-CB 3.17Å; I167-V171 WeakPolarHBondContact O-CG2 3.27Å; I167-V171 PolarHBondContact O-N 3.13Å; I167-L210 HydrophobicContact CG2-CD2 3.82Å
168	Q	58.3	Low	58.6	Low	41 Å²	41	55.4 Å²	55.4	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-42.3	179.2	-74.2	-177	-14.2	0	0	113.3	F66 L164 D165 I166 A211 M214	F66-Q168 HydrophobicContact CE1-CG 3.83Å; F66-Q168 HydrophobicContact CE2-CG 4.26Å; F66-Q168 HydrophobicContact CZ-CG 3.39Å; F66-Q168 VanDerWaalsContact CZ-NE2 3.34Å; L164-Q168 WeakPolarHBondContact O-CG 3.44Å; L164-Q168 PolarHBondContact O-N 3.36Å; D165-Q168 PolarHBondContact O-N 3.13Å; I166-Q168 PolarHBondContact O-N 3.09Å; Q168-A211 HydrophobicContact CB-CB 4.26Å; Q168-A211 WeakPolarHBondContact O-CB 3.42Å; Q168-A211 PolarHBondContact O-N 3.03Å; Q168-M214 HydrophobicContact CG-SD 3.91Å; Q168-M214 PolarHBondContact NE2-SD 3.01Å
169	Q	59.9	Low	59.6	Low	124 Å²	124	48.9 Å²	48.9	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-74.7	-30.9	-174.5	-70.4	177.4	15.2	0	0	112.3	D165 I166 I167	D165-Q169 VanDerWaalsContact O-CG 3.29Å; D165-Q169 WeakPolarHBondContact O-CG 3.25Å; D165-Q169 PolarHBondContact O-N 3.03Å; D165-Q169 VanDerWaalsContact O-N 3.13Å; I166-Q169 PolarHBondContact O-N 2.96Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.93Å
170	H	57.4	Low	60.4	Low	71 Å²	71	48.7 Å²	48.7	33%	0.329	26%	0.26	S	S	.	.	H	α-helix	trans	-115.6	-16.1	-168.3	-61.5	-64.9	0	0	0	114.9	L138 I166 I167 Y172	L138-H170 HydrophobicContact CD1-CB 3.79Å; L138-H170 HydrophobicContact CD2-CB 3.71Å; L138-H170 HydrophobicContact CG-CB 4.41Å; I166-H170 WeakPolarHBondContact O-CB 3.37Å; I166-H170 PolarHBondContact O-CD2 2.7Å; I166-H170 PolarHBondContact O-N 3.38Å; I166-H170 VanDerWaalsContact O-N 3.14Å; I167-H170 PolarHBondContact O-N 3.43Å; H170-Y172 WeakPolarHBondContact O-CD2 3.29Å
171	V	58	Low	60.8	Low	20 Å²	20	47.8 Å²	47.8	12%	0.121	26%	0.256	C	S	.	.			trans	-89.8	125.3	179.5	178.9	0	0	0	0	111.3	L54 V142 I167 L210	L54-V171 HydrophobicContact CD1-CG1 4.23Å; V142-V171 HydrophobicContact CG2-CG2 4.07Å; I167-V171 HydrophobicContact CB-CG2 4.4Å; I167-V171 HydrophobicContact CG2-CB 4.27Å; I167-V171 HydrophobicContact CG2-CG2 3.86Å; I167-V171 WeakPolarHBondContact O-CB 3.17Å; I167-V171 WeakPolarHBondContact O-CG2 3.27Å; I167-V171 PolarHBondContact O-N 3.13Å; V171-L210 PolarHBondContact O-N 3.4Å
172	Y	59.5	Low	61.7	Low	103 Å²	103	46.2 Å²	46.2	40%	0.404	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.1	171.7	-67.2	-98	0	0	0	109.2	H170 K207 I208	H170-Y172 WeakPolarHBondContact O-CD2 3.29Å; Y172-K207 HydrophobicContact CD1-CD 4.33Å; Y172-I208 WeakPolarHBondContact CA-O 3.49Å
173	V	58.2	Low	62.3	Low	30 Å²	30	46.7 Å²	46.7	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.7	172.5	-64	0	0	0	0	109.5	A178 K207 I208 M213	V173-A178 HydrophobicContact CG2-CB 4.03Å; V173-K207 CarbonylContact O-C 3.56Å; V173-K207 VanDerWaalsContact O-CA 3.24Å; V173-K207 WeakPolarHBondContact O-CA 3.37Å; V173-I208 HydrophobicContact CG2-CG2 3.54Å; V173-I208 PolarHBondContact N-O 2.83Å; V173-I208 PolarHBondContact O-N 3.41Å; V173-M213 HydrophobicContact CG2-CE 3.94Å; V173-M213 HydrophobicContact CG2-SD 4.17Å
174	T	62.3	Low	62.4	Low	71 Å²	71	48.4 Å²	48.4	44%	0.436	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	154.6	171.6	71.9	0	0	0	0	109.7	S176 S177 A178	T174-S176 PolarHBondContact O-N 3.21Å; T174-S177 PolarHBondContact O-N 2.87Å; T174-S177 VanDerWaalsContact O-N 3.09Å; T174-S177 PolarHBondContact OG1-N 3.36Å; T174-S177 VanDerWaalsContact OG1-N 3.14Å; T174-S177 PolarHBondContact OG1-OG 3.23Å; T174-A178 PolarHBondContact O-N 3.44Å
175	S	63.2	Low	62.6	Low	22 Å²	22	48.2 Å²	48.2	15%	0.154	25%	0.25	C	C	.	.	H	α-helix	trans	-58.8	-32.4	176.4	-34.6	0	0	0	0	111.7	A178 I179 S205 S206	S175-A178 PolarHBondContact O-N 3.47Å; S175-I179 WeakPolarHBondContact O-CD1 3.46Å; S175-I179 WeakPolarHBondContact O-CG1 3.43Å; S175-I179 PolarHBondContact O-N 3.4Å; S175-S205 PolarHBondContact OG-O 3.09Å; S175-S206 PolarHBondContact N-O 3.3Å; S175-S206 VanDerWaalsContact N-O 3.13Å; S175-S206 WeakPolarHBondContact OG-CA 3.32Å; S175-S206 PolarHBondContact OG-O 2.73Å; S175-S206 VanDerWaalsContact OG-O 3.12Å
176	S	64.1	Low	63.3	Low	72 Å²	72	46.4 Å²	46.4	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-49.5	173.8	-165.9	0	0	0	0	111.6	T174 A178 I179 E180	T174-S176 PolarHBondContact O-N 3.21Å; S176-A178 VanDerWaalsContact C-N 3.31Å; S176-A178 PolarHBondContact O-N 3.08Å; S176-I179 PolarHBondContact O-N 3.45Å; S176-E180 WeakPolarHBondContact O-CG 3.44Å; S176-E180 PolarHBondContact O-N 3.17Å
177	S	59.1	Low	63.8	Low	50 Å²	50	48 Å²	48	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-34.8	178.3	-52.9	0	0	0	0	112.2	T174 E180 L181	T174-S177 PolarHBondContact O-N 2.87Å; T174-S177 VanDerWaalsContact O-N 3.09Å; T174-S177 PolarHBondContact OG1-N 3.36Å; T174-S177 VanDerWaalsContact OG1-N 3.14Å; T174-S177 PolarHBondContact OG1-OG 3.23Å; S177-E180 PolarHBondContact O-N 2.9Å; S177-L181 WeakPolarHBondContact O-CB 3.43Å; S177-L181 PolarHBondContact O-N 3.48Å
178	A	63.7	Low	64	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-42.3	173.5	0	0	0	0	0	111.8	V173 T174 S175 S176 L181 L182 L203 I208 M213	V173-A178 HydrophobicContact CG2-CB 4.03Å; T174-A178 PolarHBondContact O-N 3.44Å; S175-A178 PolarHBondContact O-N 3.47Å; S176-A178 VanDerWaalsContact C-N 3.31Å; S176-A178 PolarHBondContact O-N 3.08Å; A178-L181 WeakPolarHBondContact O-CB 3.34Å; A178-L181 PolarHBondContact O-N 2.91Å; A178-L182 VanDerWaalsContact O-CG 3.27Å; A178-L182 WeakPolarHBondContact O-CG 3.14Å; A178-L182 PolarHBondContact O-N 3.5Å; A178-L203 HydrophobicContact CB-CD1 4.09Å; A178-I208 HydrophobicContact CB-CG2 3.91Å; A178-M213 HydrophobicContact CB-SD 3.72Å
179	I	68.4	Low	64.3	Low	47 Å²	47	51.2 Å²	51.2	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-47.2	174.9	-68.4	161	0	0	0	110.3	S175 S176 L181 L182 D183 I200 L203	S175-I179 WeakPolarHBondContact O-CD1 3.46Å; S175-I179 WeakPolarHBondContact O-CG1 3.43Å; S175-I179 PolarHBondContact O-N 3.4Å; S176-I179 PolarHBondContact O-N 3.45Å; I179-L181 PolarHBondContact O-N 3.16Å; I179-L182 PolarHBondContact O-N 3.34Å; I179-L182 VanDerWaalsContact O-N 3.09Å; I179-D183 WeakPolarHBondContact O-CB 3.26Å; I179-D183 PolarHBondContact O-N 3.36Å; I179-D183 VanDerWaalsContact O-OD1 3.11Å; I179-I200 HydrophobicContact CD1-CG2 4.4Å; I179-I200 HydrophobicContact CG1-CD1 4.38Å; I179-I200 HydrophobicContact CG1-CG1 4.1Å; I179-I200 HydrophobicContact CG1-CG2 4.25Å; I179-I200 HydrophobicContact CG2-CD1 4.18Å; I179-L203 HydrophobicContact CG1-CD1 3.97Å
180	E	66.7	Low	64.5	Low	85 Å²	85	46.8 Å²	46.8	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-57	-39.3	176.7	-74.5	172.3	-159.8	0	0	112.1	V56 S176 S177 Y184	V56-E180 WeakPolarHBondContact CG2-OE2 3.33Å; S176-E180 WeakPolarHBondContact O-CG 3.44Å; S176-E180 PolarHBondContact O-N 3.17Å; S177-E180 PolarHBondContact O-N 2.9Å; E180-Y184 WeakPolarHBondContact O-CB 3.26Å; E180-Y184 PolarHBondContact O-N 3.07Å
181	L	65.2	Low	64.9	Low	15 Å²	15	43.6 Å²	43.6	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-48.2	174.4	-179.8	61.2	0	0	0	111.4	Q60 F63 S177 A178 I179 D183 Y184 L185 M213	Q60-L181 HydrophobicContact CB-CD1 4.37Å; Q60-L181 HydrophobicContact CG-CD1 3.84Å; F63-L181 HydrophobicContact CB-CD1 3.94Å; F63-L181 HydrophobicContact CB-CD2 4.04Å; F63-L181 HydrophobicContact CB-CG 4.47Å; F63-L181 HydrophobicContact CD2-CD2 3.57Å; F63-L181 HydrophobicContact CD2-CG 4.28Å; F63-L181 HydrophobicContact CE2-CD2 4.21Å; F63-L181 HydrophobicContact CG-CD1 4.19Å; F63-L181 HydrophobicContact CG-CD2 3.94Å; F63-L181 HydrophobicContact CG-CG 4.31Å; S177-L181 WeakPolarHBondContact O-CB 3.43Å; S177-L181 PolarHBondContact O-N 3.48Å; A178-L181 WeakPolarHBondContact O-CB 3.34Å; A178-L181 PolarHBondContact O-N 2.91Å; I179-L181 PolarHBondContact O-N 3.16Å; L181-D183 VanDerWaalsContact C-N 3.33Å; L181-D183 PolarHBondContact O-N 3.44Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.22Å; L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.38Å; L181-L185 HydrophobicContact CG-CD1 3.91Å; L181-L185 WeakPolarHBondContact O-CD1 3.45Å; L181-L185 WeakPolarHBondContact O-CG 3.29Å; L181-L185 PolarHBondContact O-N 2.96Å; L181-M213 HydrophobicContact CD2-CE 3.35Å; L181-M213 HydrophobicContact CD2-SD 3.83Å
182	L	69.8	Low	65.8	Low	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-37.8	177.7	-68.2	166.9	0	0	0	112.8	A178 I179 L185 C186 I191 R196 V199 I200 T217	A178-L182 VanDerWaalsContact O-CG 3.27Å; A178-L182 WeakPolarHBondContact O-CG 3.14Å; A178-L182 PolarHBondContact O-N 3.5Å; I179-L182 PolarHBondContact O-N 3.34Å; I179-L182 VanDerWaalsContact O-N 3.09Å; L182-L185 HydrophobicContact CD2-CD1 4.44Å; L182-L185 PolarHBondContact O-N 2.78Å; L182-C186 VanDerWaalsContact O-CB 3.32Å; L182-C186 WeakPolarHBondContact O-CB 3.46Å; L182-C186 PolarHBondContact O-N 3.46Å; L182-I191 HydrophobicContact CD2-CD1 4.05Å; L182-R196 HydrophobicContact CB-CG 4.2Å; L182-V199 HydrophobicContact CD1-CB 3.93Å; L182-V199 HydrophobicContact CD1-CG1 3.55Å; L182-V199 HydrophobicContact CD2-CB 4.23Å; L182-V199 HydrophobicContact CD2-CG1 4Å; L182-V199 HydrophobicContact CG-CG1 4.41Å; L182-I200 HydrophobicContact CD1-CG1 3.76Å; L182-T217 HydrophobicContact CD2-CG2 3.68Å
183	D	71.2	Confident	66.9	Low	60 Å²	60	44.5 Å²	44.5	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-46.2	174.8	-72.3	8.5	0	0	0	110.4	I179 L181 C186 S187 R196	I179-D183 WeakPolarHBondContact O-CB 3.26Å; I179-D183 PolarHBondContact O-N 3.36Å; I179-D183 VanDerWaalsContact O-OD1 3.11Å; L181-D183 VanDerWaalsContact C-N 3.33Å; L181-D183 PolarHBondContact O-N 3.44Å; D183-C186 PolarHBondContact O-N 2.97Å; D183-S187 WeakPolarHBondContact O-CB 3.48Å; D183-S187 PolarHBondContact O-N 3.02Å; D183-S187 PolarHBondContact O-OG 2.96Å; D183-R196 IonicContact OD1-CZ 2.65Å; D183-R196 IonicContact OD1-NE 2.72Å; D183-R196 PolarHBondContact OD1-NE 3.31Å; D183-R196 IonicContact OD1-NH2 3.65Å; D183-R196 PolarHBondContact OD1-NH2 3.21Å; D183-R196 IonicContact OD2-NH2 3Å
184	Y	65.2	Low	68.1	Low	76 Å²	76	47 Å²	47	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-48	175.7	178	-98.7	0	0	0	111.8	Q60 E180 L181 C186 S187 N188	Q60-Y184 HydrophobicContact CB-CD1 4.17Å; Q60-Y184 HydrophobicContact CB-CE1 3.95Å; Q60-Y184 HydrophobicContact CG-CD1 3.52Å; Q60-Y184 HydrophobicContact CG-CD2 4.46Å; Q60-Y184 HydrophobicContact CG-CE1 3.75Å; Q60-Y184 HydrophobicContact CG-CG 3.88Å; E180-Y184 WeakPolarHBondContact O-CB 3.26Å; E180-Y184 PolarHBondContact O-N 3.07Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.22Å; Y184-C186 VanDerWaalsContact C-N 3.31Å; Y184-C186 PolarHBondContact O-N 3.35Å; Y184-S187 WeakPolarHBondContact CA-OG 3.35Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.13Å; Y184-S187 PolarHBondContact O-OG 3.45Å; Y184-N188 WeakPolarHBondContact CD1-ND2 3.38Å; Y184-N188 WeakPolarHBondContact CD2-ND2 3.43Å; Y184-N188 VanDerWaalsContact CE1-ND2 3.26Å; Y184-N188 WeakPolarHBondContact CE1-ND2 2.89Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.4Å; Y184-N188 PolarHBondContact O-N 3.31Å; Y184-N188 PolarHBondContact O-ND2 2.91Å
185	L	65.3	Low	68.9	Low	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-41.2	-179.9	-63.4	161.1	0	0	0	111.4	F63 L181 L182 N188 G189 W190 I191	F63-L185 HydrophobicContact CD1-CD1 3.42Å; F63-L185 VanDerWaalsContact CD1-CD1 3.42Å; F63-L185 HydrophobicContact CD1-CD2 3.35Å; F63-L185 HydrophobicContact CD1-CG 3.98Å; F63-L185 HydrophobicContact CD2-CD1 4.38Å; F63-L185 HydrophobicContact CE1-CD1 3.01Å; F63-L185 HydrophobicContact CE1-CD2 3.49Å; F63-L185 VanDerWaalsContact CE1-CD2 3.49Å; F63-L185 HydrophobicContact CE1-CG 3.84Å; F63-L185 HydrophobicContact CE2-CD1 4.03Å; F63-L185 HydrophobicContact CG-CD1 4.07Å; F63-L185 HydrophobicContact CG-CD2 4.4Å; F63-L185 HydrophobicContact CZ-CD1 3.32Å; L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.38Å; L181-L185 HydrophobicContact CG-CD1 3.91Å; L181-L185 WeakPolarHBondContact O-CD1 3.45Å; L181-L185 WeakPolarHBondContact O-CG 3.29Å; L181-L185 PolarHBondContact O-N 2.96Å; L182-L185 HydrophobicContact CD2-CD1 4.44Å; L182-L185 PolarHBondContact O-N 2.78Å; L185-N188 PolarHBondContact O-N 2.98Å; L185-G189 PolarHBondContact O-N 3.13Å; L185-W190 HydrophobicContact CB-CB 4.41Å; L185-W190 HydrophobicContact CD2-CB 4.47Å; L185-W190 HydrophobicContact CD2-CD2 4.35Å; L185-W190 HydrophobicContact CD2-CE3 3.37Å; L185-W190 HydrophobicContact CD2-CZ3 3.92Å; L185-W190 WeakPolarHBondContact O-CA 3.36Å; L185-W190 VanDerWaalsContact O-CB 3.32Å; L185-W190 WeakPolarHBondContact O-CB 3.23Å; L185-W190 PolarHBondContact O-N 3.41Å; L185-I191 HydrophobicContact CB-CB 4.36Å; L185-I191 HydrophobicContact CB-CD1 3.77Å; L185-I191 HydrophobicContact CB-CG1 3.96Å; L185-I191 HydrophobicContact CD1-CD1 3.72Å; L185-I191 HydrophobicContact CG-CD1 4.35Å; L185-I191 PolarHBondContact O-N 3.07Å
186	C	72.4	Confident	69.7	Low	31 Å²	31	46.4 Å²	46.4	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-40.9	174.3	-174.3	0	0	0	0	112.1	L182 D183 Y184 N188 G189 I191 R196	L182-C186 VanDerWaalsContact O-CB 3.32Å; L182-C186 WeakPolarHBondContact O-CB 3.46Å; L182-C186 PolarHBondContact O-N 3.46Å; D183-C186 PolarHBondContact O-N 2.97Å; Y184-C186 VanDerWaalsContact C-N 3.31Å; Y184-C186 PolarHBondContact O-N 3.35Å; C186-N188 VanDerWaalsContact C-N 3.28Å; C186-N188 PolarHBondContact O-N 3.14Å; C186-G189 PolarHBondContact O-N 2.96Å; C186-G189 VanDerWaalsContact O-N 3.08Å; C186-I191 WeakPolarHBondContact CA-O 3.37Å; C186-R196 HydrophobicContact CB-CB 4.35Å; C186-R196 HydrophobicContact CB-CG 4.5Å
187	S	71.8	Confident	70.6	Confident	90 Å²	90	45.7 Å²	45.7	63%	0.629	26%	0.256	S	S	*	.	H	α-helix	trans	-66.3	-28.6	179.7	73.5	0	0	0	0	113.6	D183 Y184 G189	D183-S187 WeakPolarHBondContact O-CB 3.48Å; D183-S187 PolarHBondContact O-N 3.02Å; D183-S187 PolarHBondContact O-OG 2.96Å; Y184-S187 WeakPolarHBondContact CA-OG 3.35Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.13Å; Y184-S187 PolarHBondContact O-OG 3.45Å; S187-G189 VanDerWaalsContact C-N 3.26Å; S187-G189 PolarHBondContact O-N 3.26Å
188	N	64	Low	71.6	Confident	62 Å²	62	47.8 Å²	47.8	33%	0.332	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	5.3	174.9	-70.9	-74	0	0	0	113	Y184 L185 C186 W190	Y184-N188 WeakPolarHBondContact CD1-ND2 3.38Å; Y184-N188 WeakPolarHBondContact CD2-ND2 3.43Å; Y184-N188 VanDerWaalsContact CE1-ND2 3.26Å; Y184-N188 WeakPolarHBondContact CE1-ND2 2.89Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.4Å; Y184-N188 PolarHBondContact O-N 3.31Å; Y184-N188 PolarHBondContact O-ND2 2.91Å; L185-N188 PolarHBondContact O-N 2.98Å; C186-N188 VanDerWaalsContact C-N 3.28Å; C186-N188 PolarHBondContact O-N 3.14Å; N188-W190 HydrophobicContact CB-CD2 4.23Å; N188-W190 HydrophobicContact CB-CG 4.07Å; N188-W190 PolarHBondContact O-N 3.4Å
189	G	64.2	Low	72.2	Confident	45 Å²	45	47.9 Å²	47.9	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	12.6	-176.5	0	0	0	0	0	113.6	L185 C186 S187	L185-G189 PolarHBondContact O-N 3.13Å; C186-G189 PolarHBondContact O-N 2.96Å; C186-G189 VanDerWaalsContact O-N 3.08Å; S187-G189 VanDerWaalsContact C-N 3.26Å; S187-G189 PolarHBondContact O-N 3.26Å
190	W	64.2	Low	72.8	Confident	32 Å²	32	46.6 Å²	46.6	12%	0.121	25%	0.254	C	S	.	.	S	Bend	trans	-79.6	-32	-176.8	-65.6	7	0	0	0	111.9	A64 L185 N188 V221 T222	A64-W190 HydrophobicContact CB-CH2 3.7Å; A64-W190 HydrophobicContact CB-CZ3 3.49Å; A64-W190 VanDerWaalsContact CB-CZ3 3.49Å; L185-W190 HydrophobicContact CB-CB 4.41Å; L185-W190 HydrophobicContact CD2-CB 4.47Å; L185-W190 HydrophobicContact CD2-CD2 4.35Å; L185-W190 HydrophobicContact CD2-CE3 3.37Å; L185-W190 HydrophobicContact CD2-CZ3 3.92Å; L185-W190 WeakPolarHBondContact O-CA 3.36Å; L185-W190 VanDerWaalsContact O-CB 3.32Å; L185-W190 WeakPolarHBondContact O-CB 3.23Å; L185-W190 PolarHBondContact O-N 3.41Å; N188-W190 HydrophobicContact CB-CD2 4.23Å; N188-W190 HydrophobicContact CB-CG 4.07Å; N188-W190 PolarHBondContact O-N 3.4Å; W190-V221 HydrophobicContact CB-CG1 4.1Å; W190-V221 CarbonylContact O-C 3.46Å; W190-V221 WeakPolarHBondContact O-CA 3.42Å; W190-T222 VanDerWaalsContact CA-O 3.26Å; W190-T222 WeakPolarHBondContact CA-O 3.46Å; W190-T222 PolarHBondContact O-N 3.39Å
191	I	67	Low	73.4	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	25%	0.251	C	S	.	.	S	Bend	trans	-125.8	130.5	176.6	-65.8	-179.9	0	0	0	109.4	F63 L182 L185 C186 K195 R196 T217 F220 V221	F63-I191 HydrophobicContact CZ-CD1 4.42Å; L182-I191 HydrophobicContact CD2-CD1 4.05Å; L185-I191 HydrophobicContact CB-CB 4.36Å; L185-I191 HydrophobicContact CB-CD1 3.77Å; L185-I191 HydrophobicContact CB-CG1 3.96Å; L185-I191 HydrophobicContact CD1-CD1 3.72Å; L185-I191 HydrophobicContact CG-CD1 4.35Å; L185-I191 PolarHBondContact O-N 3.07Å; C186-I191 WeakPolarHBondContact CA-O 3.37Å; I191-K195 HydrophobicContact CG2-CB 3.9Å; I191-R196 HydrophobicContact CG2-CB 4.2Å; I191-T217 HydrophobicContact CD1-CG2 4.15Å; I191-F220 HydrophobicContact CG2-CB 4.21Å; I191-V221 HydrophobicContact CD1-CG2 3.5Å; I191-V221 HydrophobicContact CG1-CB 4.28Å; I191-V221 HydrophobicContact CG1-CG2 3.4Å
192	P	76.4	Confident	73.9	Confident	59 Å²	59	45.7 Å²	45.7	38%	0.383	26%	0.264	S	S	.	.			trans	-59.1	138.7	169.9	-25	35.1	0	0	0	112.2	D194 K195 R196 F220	P192-D194 VanDerWaalsContact C-N 3.26Å; P192-D194 WeakPolarHBondContact CB-OD1 3.41Å; P192-D194 PolarHBondContact O-N 3.04Å; P192-K195 HydrophobicContact CB-CB 4.5Å; P192-K195 HydrophobicContact CB-CG 4.13Å; P192-K195 HydrophobicContact CG-CG 4.33Å; P192-K195 WeakPolarHBondContact O-CA 3.28Å; P192-K195 WeakPolarHBondContact O-CB 3.46Å; P192-K195 PolarHBondContact O-N 3.07Å; P192-R196 PolarHBondContact O-N 2.91Å; P192-F220 VanDerWaalsContact CD-O 3.25Å; P192-F220 WeakPolarHBondContact CD-O 3.49Å
193	N	81.7	Confident	74.2	Confident	84 Å²	84	47 Å²	47	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-31.6	-173.8	-176.3	48.3	0	0	0	113.7	K195 R196 L197	N193-K195 VanDerWaalsContact C-N 3.32Å; N193-K195 PolarHBondContact O-N 3.46Å; N193-R196 WeakPolarHBondContact O-CB 3.48Å; N193-R196 PolarHBondContact O-N 3.39Å; N193-R196 PolarHBondContact OD1-NH1 2.87Å; N193-L197 WeakPolarHBondContact O-CG 3.32Å; N193-L197 PolarHBondContact O-N 3.08Å
194	D	84.2	Confident	74.3	Confident	82 Å²	82	50.6 Å²	50.6	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-38.8	173.6	65.8	-58.5	0	0	0	111.6	P192 L197 Q198	P192-D194 VanDerWaalsContact C-N 3.26Å; P192-D194 WeakPolarHBondContact CB-OD1 3.41Å; P192-D194 PolarHBondContact O-N 3.04Å; D194-L197 PolarHBondContact O-N 2.84Å; D194-Q198 WeakPolarHBondContact O-CG 3.37Å; D194-Q198 PolarHBondContact O-N 3.24Å
195	K	80.1	Confident	74.7	Confident	56 Å²	56	49.6 Å²	49.6	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-39.8	176.3	-59.6	-49.8	-170	-170	0	112.3	I191 P192 N193 L197 Q198 V199 F220	I191-K195 HydrophobicContact CG2-CB 3.9Å; P192-K195 HydrophobicContact CB-CB 4.5Å; P192-K195 HydrophobicContact CB-CG 4.13Å; P192-K195 HydrophobicContact CG-CG 4.33Å; P192-K195 WeakPolarHBondContact O-CA 3.28Å; P192-K195 WeakPolarHBondContact O-CB 3.46Å; P192-K195 PolarHBondContact O-N 3.07Å; N193-K195 VanDerWaalsContact C-N 3.32Å; N193-K195 PolarHBondContact O-N 3.46Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 3.47Å; K195-Q198 WeakPolarHBondContact O-CB 3.35Å; K195-Q198 PolarHBondContact O-N 3.47Å; K195-V199 WeakPolarHBondContact O-CG2 3.13Å; K195-V199 PolarHBondContact O-N 3.37Å; K195-F220 HydrophobicContact CB-CB 3.79Å; K195-F220 HydrophobicContact CB-CD1 3.92Å; K195-F220 HydrophobicContact CB-CD2 3.95Å; K195-F220 HydrophobicContact CB-CG 3.61Å; K195-F220 HydrophobicContact CD-CD1 3.52Å; K195-F220 HydrophobicContact CD-CE1 3.47Å; K195-F220 VanDerWaalsContact CD-CE1 3.47Å; K195-F220 HydrophobicContact CD-CE2 4.48Å; K195-F220 HydrophobicContact CD-CG 4.09Å; K195-F220 HydrophobicContact CD-CZ 3.98Å; K195-F220 VanDerWaalsContact CE-CE1 3.5Å; K195-F220 HydrophobicContact CG-CB 4.04Å; K195-F220 HydrophobicContact CG-CD1 3.46Å; K195-F220 VanDerWaalsContact CG-CD1 3.46Å; K195-F220 HydrophobicContact CG-CD2 4.4Å; K195-F220 HydrophobicContact CG-CE1 3.99Å; K195-F220 HydrophobicContact CG-CG 3.71Å
196	R	79.2	Confident	74.9	Confident	24 Å²	24	54.5 Å²	54.5	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-52.2	-50.1	169	163.5	-179.7	169.8	-85.1	-5.3	110.9	L182 D183 C186 I191 P192 N193 Q198 V199 I200	L182-R196 HydrophobicContact CB-CG 4.2Å; D183-R196 IonicContact OD1-CZ 2.65Å; D183-R196 IonicContact OD1-NE 2.72Å; D183-R196 PolarHBondContact OD1-NE 3.31Å; D183-R196 IonicContact OD1-NH2 3.65Å; D183-R196 PolarHBondContact OD1-NH2 3.21Å; D183-R196 IonicContact OD2-NH2 3Å; C186-R196 HydrophobicContact CB-CB 4.35Å; C186-R196 HydrophobicContact CB-CG 4.5Å; I191-R196 HydrophobicContact CG2-CB 4.2Å; P192-R196 PolarHBondContact O-N 2.91Å; N193-R196 WeakPolarHBondContact O-CB 3.48Å; N193-R196 PolarHBondContact O-N 3.39Å; N193-R196 PolarHBondContact OD1-NH1 2.87Å; R196-Q198 VanDerWaalsContact C-N 3.34Å; R196-Q198 PolarHBondContact O-N 3.04Å; R196-V199 PolarHBondContact O-N 3.28Å; R196-I200 HydrophobicContact CG-CD1 3.78Å; R196-I200 HydrophobicContact CG-CG1 4.49Å; R196-I200 VanDerWaalsContact O-CG1 3.28Å; R196-I200 WeakPolarHBondContact O-CG1 3.45Å; R196-I200 PolarHBondContact O-N 3.08Å
197	L	83.2	Confident	74.5	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-37.5	179.3	-69.6	173.7	0	0	0	112.3	L113 N193 D194 K195 I200 S201	L113-L197 HydrophobicContact CD1-CD2 4.11Å; L113-L197 HydrophobicContact CD2-CD2 4.24Å; L113-L197 HydrophobicContact CG-CD2 4.35Å; N193-L197 WeakPolarHBondContact O-CG 3.32Å; N193-L197 PolarHBondContact O-N 3.08Å; D194-L197 PolarHBondContact O-N 2.84Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 3.47Å; L197-I200 PolarHBondContact O-N 3.3Å; L197-S201 WeakPolarHBondContact O-CB 3.31Å; L197-S201 PolarHBondContact O-N 3.26Å; L197-S201 PolarHBondContact O-OG 3.45Å
198	Q	79.8	Confident	73.9	Confident	93 Å²	93	55 Å²	55	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-47.4	173.3	-73.8	174.5	17	0	0	111.4	D194 K195 R196 S201 G202	D194-Q198 WeakPolarHBondContact O-CG 3.37Å; D194-Q198 PolarHBondContact O-N 3.24Å; K195-Q198 WeakPolarHBondContact O-CB 3.35Å; K195-Q198 PolarHBondContact O-N 3.47Å; R196-Q198 VanDerWaalsContact C-N 3.34Å; R196-Q198 PolarHBondContact O-N 3.04Å; Q198-S201 PolarHBondContact O-N 3.32Å; Q198-S201 PolarHBondContact O-OG 2.79Å; Q198-G202 PolarHBondContact O-N 3.38Å
199	V	75.5	Confident	73.9	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-45	178.9	-179.3	0	0	0	0	111	L182 K195 R196 S201 G202 L203 M216 T217 F220	L182-V199 HydrophobicContact CD1-CB 3.93Å; L182-V199 HydrophobicContact CD1-CG1 3.55Å; L182-V199 HydrophobicContact CD2-CB 4.23Å; L182-V199 HydrophobicContact CD2-CG1 4Å; L182-V199 HydrophobicContact CG-CG1 4.41Å; K195-V199 WeakPolarHBondContact O-CG2 3.13Å; K195-V199 PolarHBondContact O-N 3.37Å; R196-V199 PolarHBondContact O-N 3.28Å; V199-S201 VanDerWaalsContact C-N 3.29Å; V199-S201 PolarHBondContact O-N 3.24Å; V199-G202 PolarHBondContact O-N 3.5Å; V199-L203 PolarHBondContact O-N 3.31Å; V199-M216 HydrophobicContact CB-CE 4.46Å; V199-M216 HydrophobicContact CG1-CB 4.18Å; V199-M216 HydrophobicContact CG1-CE 3.95Å; V199-M216 HydrophobicContact CG1-SD 4.31Å; V199-M216 HydrophobicContact CG2-CB 4.34Å; V199-T217 HydrophobicContact CG1-CG2 4.25Å; V199-T217 HydrophobicContact CG2-CG2 4.07Å; V199-F220 HydrophobicContact CG2-CD2 4.24Å; V199-F220 HydrophobicContact CG2-CE2 4.3Å
200	I	81.5	Confident	73.8	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-41.4	177.2	-66.6	172.9	0	0	0	111.1	L113 I179 L182 R196 L197 G202 L203	L113-I200 HydrophobicContact CD1-CG2 3.82Å; I179-I200 HydrophobicContact CD1-CG2 4.4Å; I179-I200 HydrophobicContact CG1-CD1 4.38Å; I179-I200 HydrophobicContact CG1-CG1 4.1Å; I179-I200 HydrophobicContact CG1-CG2 4.25Å; I179-I200 HydrophobicContact CG2-CD1 4.18Å; L182-I200 HydrophobicContact CD1-CG1 3.76Å; R196-I200 HydrophobicContact CG-CD1 3.78Å; R196-I200 HydrophobicContact CG-CG1 4.49Å; R196-I200 VanDerWaalsContact O-CG1 3.28Å; R196-I200 WeakPolarHBondContact O-CG1 3.45Å; R196-I200 PolarHBondContact O-N 3.08Å; L197-I200 PolarHBondContact O-N 3.3Å; I200-G202 PolarHBondContact O-N 3.19Å; I200-L203 WeakPolarHBondContact O-CB 3.49Å; I200-L203 PolarHBondContact O-N 3.18Å; I200-L203 VanDerWaalsContact O-N 3.13Å
201	S	80.7	Confident	73.7	Confident	49 Å²	49	51.9 Å²	51.9	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-23.4	178.7	74.9	0	0	0	0	113.7	L197 Q198 V199	L197-S201 WeakPolarHBondContact O-CB 3.31Å; L197-S201 PolarHBondContact O-N 3.26Å; L197-S201 PolarHBondContact O-OG 3.45Å; Q198-S201 PolarHBondContact O-N 3.32Å; Q198-S201 PolarHBondContact O-OG 2.79Å; V199-S201 VanDerWaalsContact C-N 3.29Å; V199-S201 PolarHBondContact O-N 3.24Å
202	G	74.6	Confident	73.5	Confident	33 Å²	33	55.4 Å²	55.4	34%	0.34	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.9	174.6	0	0	0	0	0	114.5	Q198 V199 I200 V204	Q198-G202 PolarHBondContact O-N 3.38Å; V199-G202 PolarHBondContact O-N 3.5Å; I200-G202 PolarHBondContact O-N 3.19Å; G202-V204 VanDerWaalsContact C-N 3.32Å; G202-V204 PolarHBondContact O-N 2.94Å
203	L	76.6	Confident	73	Confident	28 Å²	28	52.7 Å²	52.7	15%	0.147	30%	0.301	C	S	.	.			trans	-77.9	80.3	176.1	-62.6	177.9	0	0	0	110.2	A178 I179 V199 I200 I208	A178-L203 HydrophobicContact CB-CD1 4.09Å; I179-L203 HydrophobicContact CG1-CD1 3.97Å; V199-L203 PolarHBondContact O-N 3.31Å; I200-L203 WeakPolarHBondContact O-CB 3.49Å; I200-L203 PolarHBondContact O-N 3.18Å; I200-L203 VanDerWaalsContact O-N 3.13Å; L203-I208 HydrophobicContact CD2-CB 4.19Å; L203-I208 HydrophobicContact CD2-CD1 3.45Å; L203-I208 VanDerWaalsContact CD2-CD1 3.45Å; L203-I208 HydrophobicContact CD2-CG1 4.4Å; L203-I208 HydrophobicContact CD2-CG2 4.06Å
204	V	73.2	Confident	72.2	Confident	135 Å²	135	49.9 Å²	49.9	82%	0.818	29%	0.286	S	S	*	.			trans	-79.9	-28.5	-178	-169.4	0	0	0	0	112.3	G202	G202-V204 VanDerWaalsContact C-N 3.32Å; G202-V204 PolarHBondContact O-N 2.94Å
205	S	73.1	Confident	71.3	Confident	56 Å²	56	53.5 Å²	53.5	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	-97.2	159.1	-177.1	-62.1	0	0	0	0	112	S175 K207	S175-S205 PolarHBondContact OG-O 3.09Å; S205-K207 VanDerWaalsContact CB-O 3.25Å; S205-K207 WeakPolarHBondContact CB-O 3.23Å; S205-K207 PolarHBondContact O-N 3.34Å
206	S	70.5	Confident	70.6	Confident	102 Å²	102	53 Å²	53	71%	0.713	30%	0.297	S	S	*	.	S	Bend	trans	-69.8	-12.7	174.8	58.7	0	0	0	0	114.1	S175	S175-S206 PolarHBondContact N-O 3.3Å; S175-S206 VanDerWaalsContact N-O 3.13Å; S175-S206 WeakPolarHBondContact OG-CA 3.32Å; S175-S206 PolarHBondContact OG-O 2.73Å; S175-S206 VanDerWaalsContact OG-O 3.12Å
207	K	62.9	Low	69.8	Low	117 Å²	117	51.9 Å²	51.9	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.4	175.9	61.8	-178.2	179	179.4	0	110.1	Y172 V173 S205	Y172-K207 HydrophobicContact CD1-CD 4.33Å; V173-K207 CarbonylContact O-C 3.56Å; V173-K207 VanDerWaalsContact O-CA 3.24Å; V173-K207 WeakPolarHBondContact O-CA 3.37Å; S205-K207 VanDerWaalsContact CB-O 3.25Å; S205-K207 WeakPolarHBondContact CB-O 3.23Å; S205-K207 PolarHBondContact O-N 3.34Å
208	I	60.2	Low	68.8	Low	14 Å²	14	53.7 Å²	53.7	7%	0.072	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.2	175.5	-177.1	169.9	0	0	0	108.4	Y172 V173 A178 L203 H212 M213 M216	Y172-I208 WeakPolarHBondContact CA-O 3.49Å; V173-I208 HydrophobicContact CG2-CG2 3.54Å; V173-I208 PolarHBondContact N-O 2.83Å; V173-I208 PolarHBondContact O-N 3.41Å; A178-I208 HydrophobicContact CB-CG2 3.91Å; L203-I208 HydrophobicContact CD2-CB 4.19Å; L203-I208 HydrophobicContact CD2-CD1 3.45Å; L203-I208 VanDerWaalsContact CD2-CD1 3.45Å; L203-I208 HydrophobicContact CD2-CG1 4.4Å; L203-I208 HydrophobicContact CD2-CG2 4.06Å; I208-H212 HydrophobicContact CD1-CB 4.32Å; I208-H212 HydrophobicContact CG1-CB 3.96Å; I208-M213 HydrophobicContact CD1-CB 3.93Å; I208-M213 HydrophobicContact CG1-CB 4.28Å; I208-M216 HydrophobicContact CD1-SD 3.82Å
209	S	64.3	Low	67.7	Low	28 Å²	28	56.5 Å²	56.5	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.7	172.6	66.9	0	0	0	0	109.7	A211 H212 M213	S209-A211 PolarHBondContact O-N 3.4Å; S209-H212 PolarHBondContact O-N 3.43Å; S209-H212 VanDerWaalsContact OG-CB 3.29Å; S209-H212 WeakPolarHBondContact OG-CB 3.47Å; S209-H212 PolarHBondContact OG-N 3.03Å; S209-M213 PolarHBondContact O-N 3.4Å
210	L	61.8	Low	66.7	Low	8 Å²	8	58.6 Å²	58.6	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-39.3	177.6	-174.9	59.5	0	0	0	111.2	I62 F66 I167 V171 H212 M213 M214	I62-L210 HydrophobicContact CG2-CD2 3.93Å; F66-L210 HydrophobicContact CE2-CD2 4Å; F66-L210 HydrophobicContact CE2-CG 4.4Å; I167-L210 HydrophobicContact CG2-CD2 3.82Å; V171-L210 PolarHBondContact O-N 3.4Å; L210-H212 VanDerWaalsContact C-N 3.33Å; L210-H212 PolarHBondContact O-N 2.95Å; L210-M213 HydrophobicContact CD1-CE 3.26Å; L210-M213 PolarHBondContact O-N 3.49Å; L210-M214 HydrophobicContact CG-SD 4.44Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 VanDerWaalsContact O-CG 3.26Å; L210-M214 WeakPolarHBondContact O-CG 3.32Å; L210-M214 PolarHBondContact O-N 3.4Å
211	A	60.4	Low	65.4	Low	39 Å²	39	58.5 Å²	58.5	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-43	173.1	0	0	0	0	0	113.2	Q168 S209 K215	Q168-A211 HydrophobicContact CB-CB 4.26Å; Q168-A211 WeakPolarHBondContact O-CB 3.42Å; Q168-A211 PolarHBondContact O-N 3.03Å; S209-A211 PolarHBondContact O-N 3.4Å; A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 3.4Å
212	H	63.9	Low	63.9	Low	77 Å²	77	60.3 Å²	60.3	36%	0.356	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-43.8	179.2	-167.4	69.3	0	0	0	111.5	I208 S209 L210 M214 K215 M216	I208-H212 HydrophobicContact CD1-CB 4.32Å; I208-H212 HydrophobicContact CG1-CB 3.96Å; S209-H212 PolarHBondContact O-N 3.43Å; S209-H212 VanDerWaalsContact OG-CB 3.29Å; S209-H212 WeakPolarHBondContact OG-CB 3.47Å; S209-H212 PolarHBondContact OG-N 3.03Å; L210-H212 VanDerWaalsContact C-N 3.33Å; L210-H212 PolarHBondContact O-N 2.95Å; H212-M214 VanDerWaalsContact C-N 3.31Å; H212-M214 PolarHBondContact O-N 3.17Å; H212-K215 WeakPolarHBondContact O-CB 3.38Å; H212-K215 PolarHBondContact O-N 3.42Å; H212-K215 VanDerWaalsContact O-N 3.14Å; H212-M216 WeakPolarHBondContact O-CG 3.33Å; H212-M216 PolarHBondContact O-N 3.21Å
213	M	66.5	Low	62.5	Low	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-45.4	176.5	-175.9	170.7	58.8	0	0	111.2	F63 V173 A178 L181 I208 S209 L210 K215 M216 T217	F63-M213 HydrophobicContact CD2-CE 4.42Å; F63-M213 HydrophobicContact CE2-CG 4.47Å; V173-M213 HydrophobicContact CG2-CE 3.94Å; V173-M213 HydrophobicContact CG2-SD 4.17Å; A178-M213 HydrophobicContact CB-SD 3.72Å; L181-M213 HydrophobicContact CD2-CE 3.35Å; L181-M213 HydrophobicContact CD2-SD 3.83Å; I208-M213 HydrophobicContact CD1-CB 3.93Å; I208-M213 HydrophobicContact CG1-CB 4.28Å; S209-M213 PolarHBondContact O-N 3.4Å; L210-M213 HydrophobicContact CD1-CE 3.26Å; L210-M213 PolarHBondContact O-N 3.49Å; M213-K215 PolarHBondContact O-N 2.94Å; M213-M216 WeakPolarHBondContact O-CB 3.41Å; M213-M216 PolarHBondContact O-N 2.96Å; M213-T217 WeakPolarHBondContact O-CG2 3.4Å; M213-T217 PolarHBondContact O-N 3.18Å; M213-T217 PolarHBondContact O-OG1 3.14Å; M213-T217 VanDerWaalsContact O-OG1 3.04Å
214	M	63.5	Low	60.8	Low	25 Å²	25	63.7 Å²	63.7	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-42.9	175	-75.1	178.1	53.3	0	0	113.1	F66 Q168 L210 H212 M216 T217 K218	F66-M214 HydrophobicContact CB-CE 3.55Å; F66-M214 HydrophobicContact CB-CG 4.32Å; F66-M214 HydrophobicContact CB-SD 4.01Å; F66-M214 HydrophobicContact CD1-CE 3.11Å; F66-M214 HydrophobicContact CD1-SD 3.52Å; F66-M214 VanDerWaalsContact CD1-SD 3.52Å; F66-M214 HydrophobicContact CD2-CE 3.89Å; F66-M214 HydrophobicContact CD2-CG 3.99Å; F66-M214 HydrophobicContact CD2-SD 3.23Å; F66-M214 WeakPolarHBondContact CD2-SD 3.19Å; F66-M214 HydrophobicContact CE1-CE 3.61Å; F66-M214 HydrophobicContact CE1-SD 3.61Å; F66-M214 HydrophobicContact CE2-CE 4.29Å; F66-M214 HydrophobicContact CE2-CG 4.45Å; F66-M214 HydrophobicContact CE2-SD 3.31Å; F66-M214 WeakPolarHBondContact CE2-SD 3.31Å; F66-M214 HydrophobicContact CG-CE 3.26Å; F66-M214 HydrophobicContact CG-CG 4.17Å; F66-M214 HydrophobicContact CG-SD 3.32Å; F66-M214 WeakPolarHBondContact CG-SD 3.34Å; F66-M214 HydrophobicContact CZ-CE 4.18Å; F66-M214 HydrophobicContact CZ-SD 3.51Å; F66-M214 VanDerWaalsContact CZ-SD 3.51Å; Q168-M214 HydrophobicContact CG-SD 3.91Å; Q168-M214 PolarHBondContact NE2-SD 3.01Å; L210-M214 HydrophobicContact CG-SD 4.44Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 VanDerWaalsContact O-CG 3.26Å; L210-M214 WeakPolarHBondContact O-CG 3.32Å; L210-M214 PolarHBondContact O-N 3.4Å; H212-M214 VanDerWaalsContact C-N 3.31Å; H212-M214 PolarHBondContact O-N 3.17Å; M214-M216 VanDerWaalsContact C-N 3.27Å; M214-M216 PolarHBondContact O-N 2.81Å; M214-T217 WeakPolarHBondContact CA-OG1 3.43Å; M214-T217 PolarHBondContact O-N 3.43Å; M214-T217 PolarHBondContact O-OG1 3.34Å; M214-K218 WeakPolarHBondContact O-CB 3.26Å; M214-K218 PolarHBondContact O-N 2.99Å
215	K	65.7	Low	59.2	Low	159 Å²	159	67.6 Å²	67.6	69%	0.691	35%	0.352	S	S	*	.	H	α-helix	trans	-60.7	-40	177	-174.6	-179.5	177.5	-176.5	0	111	A211 H212 M213 T217	A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 3.4Å; H212-K215 WeakPolarHBondContact O-CB 3.38Å; H212-K215 PolarHBondContact O-N 3.42Å; H212-K215 VanDerWaalsContact O-N 3.14Å; M213-K215 PolarHBondContact O-N 2.94Å; K215-T217 VanDerWaalsContact C-N 3.33Å
216	M	65.3	Low	58.5	Low	44 Å²	44	68.2 Å²	68.2	22%	0.217	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-31.5	177.4	-67.1	177.7	78.4	0	0	112.7	V199 I208 H212 M213 M214 F220	V199-M216 HydrophobicContact CB-CE 4.46Å; V199-M216 HydrophobicContact CG1-CB 4.18Å; V199-M216 HydrophobicContact CG1-CE 3.95Å; V199-M216 HydrophobicContact CG1-SD 4.31Å; V199-M216 HydrophobicContact CG2-CB 4.34Å; I208-M216 HydrophobicContact CD1-SD 3.82Å; H212-M216 WeakPolarHBondContact O-CG 3.33Å; H212-M216 PolarHBondContact O-N 3.21Å; M213-M216 WeakPolarHBondContact O-CB 3.41Å; M213-M216 PolarHBondContact O-N 2.96Å; M214-M216 VanDerWaalsContact C-N 3.27Å; M214-M216 PolarHBondContact O-N 2.81Å; M216-F220 VanDerWaalsContact O-CD2 3.27Å; M216-F220 WeakPolarHBondContact O-CD2 3.47Å; M216-F220 WeakPolarHBondContact O-CE2 3.42Å
217	T	62.5	Low	57.9	Low	1 Å²	1	66.4 Å²	66.4	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-99.2	-11.6	-175.1	56.4	0	0	0	0	114.5	F63 L182 I191 V199 M213 M214 K215 H219 F220 V221	F63-T217 HydrophobicContact CE2-CG2 4.2Å; F63-T217 WeakPolarHBondContact CE2-OG1 3.35Å; F63-T217 HydrophobicContact CZ-CG2 3.85Å; F63-T217 WeakPolarHBondContact CZ-OG1 3.41Å; L182-T217 HydrophobicContact CD2-CG2 3.68Å; I191-T217 HydrophobicContact CD1-CG2 4.15Å; V199-T217 HydrophobicContact CG1-CG2 4.25Å; V199-T217 HydrophobicContact CG2-CG2 4.07Å; M213-T217 WeakPolarHBondContact O-CG2 3.4Å; M213-T217 PolarHBondContact O-N 3.18Å; M213-T217 PolarHBondContact O-OG1 3.14Å; M213-T217 VanDerWaalsContact O-OG1 3.04Å; M214-T217 WeakPolarHBondContact CA-OG1 3.43Å; M214-T217 PolarHBondContact O-N 3.43Å; M214-T217 PolarHBondContact O-OG1 3.34Å; K215-T217 VanDerWaalsContact C-N 3.33Å; T217-H219 PolarHBondContact O-N 3.45Å; T217-F220 PolarHBondContact O-N 2.9Å; T217-V221 WeakPolarHBondContact O-CG2 3.37Å; T217-V221 PolarHBondContact O-N 2.72Å
218	K	63.1	Low	57.6	Low	97 Å²	97	63.6 Å²	63.6	42%	0.422	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-39.3	-173	-172.9	-175.9	-179.5	-173.5	0	113.8	T70 M214	T70-K218 HydrophobicContact CG2-CD 4.46Å; T70-K218 HydrophobicContact CG2-CG 4.28Å; M214-K218 WeakPolarHBondContact O-CB 3.26Å; M214-K218 PolarHBondContact O-N 2.99Å
219	H	55.7	Low	57.5	Low	152 Å²	152	66.5 Å²	66.5	70%	0.704	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.4	-173.8	-60.4	-66.8	0	0	0	114.5	T217	T217-H219 PolarHBondContact O-N 3.45Å
220	F	55.7	Low	57.1	Low	47 Å²	47	68.9 Å²	68.9	21%	0.206	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-10.2	-173.7	-52	-45.9	0	0	0	112.9	I191 P192 K195 V199 M216 T217	I191-F220 HydrophobicContact CG2-CB 4.21Å; P192-F220 VanDerWaalsContact CD-O 3.25Å; P192-F220 WeakPolarHBondContact CD-O 3.49Å; K195-F220 HydrophobicContact CB-CB 3.79Å; K195-F220 HydrophobicContact CB-CD1 3.92Å; K195-F220 HydrophobicContact CB-CD2 3.95Å; K195-F220 HydrophobicContact CB-CG 3.61Å; K195-F220 HydrophobicContact CD-CD1 3.52Å; K195-F220 HydrophobicContact CD-CE1 3.47Å; K195-F220 VanDerWaalsContact CD-CE1 3.47Å; K195-F220 HydrophobicContact CD-CE2 4.48Å; K195-F220 HydrophobicContact CD-CG 4.09Å; K195-F220 HydrophobicContact CD-CZ 3.98Å; K195-F220 VanDerWaalsContact CE-CE1 3.5Å; K195-F220 HydrophobicContact CG-CB 4.04Å; K195-F220 HydrophobicContact CG-CD1 3.46Å; K195-F220 VanDerWaalsContact CG-CD1 3.46Å; K195-F220 HydrophobicContact CG-CD2 4.4Å; K195-F220 HydrophobicContact CG-CE1 3.99Å; K195-F220 HydrophobicContact CG-CG 3.71Å; V199-F220 HydrophobicContact CG2-CD2 4.24Å; V199-F220 HydrophobicContact CG2-CE2 4.3Å; M216-F220 VanDerWaalsContact O-CD2 3.27Å; M216-F220 WeakPolarHBondContact O-CD2 3.47Å; M216-F220 WeakPolarHBondContact O-CE2 3.42Å; T217-F220 PolarHBondContact O-N 2.9Å
221	V	53.7	Low	56.8	Low	16 Å²	16	73 Å²	73	10%	0.097	37%	0.365	C	S	.	.			trans	-92	112.5	-175.7	-176.5	0	0	0	0	109.6	F63 T67 W190 I191 T217	F63-V221 HydrophobicContact CE1-CG2 3.79Å; F63-V221 HydrophobicContact CZ-CG2 4.07Å; T67-V221 HydrophobicContact CG2-CB 3.41Å; T67-V221 VanDerWaalsContact CG2-CB 3.41Å; T67-V221 HydrophobicContact CG2-CG1 3.45Å; T67-V221 VanDerWaalsContact CG2-CG1 3.45Å; T67-V221 HydrophobicContact CG2-CG2 3.42Å; T67-V221 VanDerWaalsContact CG2-CG2 3.42Å; T67-V221 WeakPolarHBondContact OG1-CG1 3.47Å; W190-V221 HydrophobicContact CB-CG1 4.1Å; W190-V221 CarbonylContact O-C 3.46Å; W190-V221 WeakPolarHBondContact O-CA 3.42Å; I191-V221 HydrophobicContact CD1-CG2 3.5Å; I191-V221 HydrophobicContact CG1-CB 4.28Å; I191-V221 HydrophobicContact CG1-CG2 3.4Å; T217-V221 WeakPolarHBondContact O-CG2 3.37Å; T217-V221 PolarHBondContact O-N 2.72Å
222	T	48.5	Very low	56.5	Low	88 Å²	88	75.4 Å²	75.4	54%	0.54	37%	0.368	S	S	.	.			trans	-118.1	119.1	173.7	51.1	0	0	0	0	108	W190 P224	W190-T222 VanDerWaalsContact CA-O 3.26Å; W190-T222 WeakPolarHBondContact CA-O 3.46Å; W190-T222 PolarHBondContact O-N 3.39Å; T222-P224 WeakPolarHBondContact O-CD 3.11Å
223	I	45.1	Very low	55.9	Low	61 Å²	61	75.3 Å²	75.3	31%	0.313	37%	0.369	S	S	.	.			trans	-76.6	120	173.1	-62.1	104.5	0	0	0	107.9	H68	H68-I223 HydrophobicContact CB-CD1 4.49Å; H68-I223 WeakPolarHBondContact CE1-CD1 3.25Å; H68-I223 VanDerWaalsContact CE1-CG1 3.41Å; H68-I223 WeakPolarHBondContact CE1-CG1 3.04Å; H68-I223 VanDerWaalsContact ND1-CD1 3.31Å; H68-I223 WeakPolarHBondContact ND1-CD1 3.42Å; H68-I223 VanDerWaalsContact NE2-CD1 3.34Å; H68-I223 WeakPolarHBondContact NE2-CD1 3.17Å; H68-I223 VanDerWaalsContact NE2-CG1 3.28Å; H68-I223 WeakPolarHBondContact NE2-CG1 3.27Å
224	P	41.3	Very low	55	Low	71 Å²	71	81.5 Å²	81.5	46%	0.461	40%	0.399	S	S	.	.			trans	-62	140	174	24.6	-29.4	0	0	0	109.3	T222	T222-P224 WeakPolarHBondContact O-CD 3.11Å
225	E	40.5	Very low	54.3	Low	217 Å²	217	86.6 Å²	86.6	100%	1.014	43%	0.425	S	S	*	.			trans	-59.2	0	178.7	-63.2	-165.8	135.5	0	0	113.7	R36	R36-E225 IonicContact CZ-OE1 2.64Å; R36-E225 VanDerWaalsContact CZ-OE1 3.24Å; R36-E225 IonicContact NH1-OE1 3.24Å; R36-E225 PolarHBondContact NH1-OE1 2.97Å; R36-E225 IonicContact NH2-OE1 3.05Å; R36-E225 PolarHBondContact NH2-OE1 3.43Å

Retrieved 225 of 225 residues in 124.3 ms (Link to these results)

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