A0A087XGQ4_POEFO Loading...

Regulator of G protein signaling 20

AlphaFold DB , UniProt , Accession A0A087XGQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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	37.5	Very low	39	Very low	158 Å²	158	119.7 Å²	119.7	78%	0.778	56%	0.561	S	S	*	*				0	-56.6	0	-85.2	172.8	64.6	0	0	113.5	L3	M1-L3 PolarHBondContact O-N 3.15Å
2	Y	34.3	Very low	38.9	Very low	188 Å²	188	115.4 Å²	115.4	74%	0.737	55%	0.549	S	S	*	.	H	α-helix	trans	-68.7	-33.2	179.4	-114	-97.2	0	0	0	114.2	Q6	Y2-Q6 HydrophobicContact CD1-CG 4.26Å; Y2-Q6 WeakPolarHBondContact O-CB 3.49Å; Y2-Q6 WeakPolarHBondContact O-CG 2.88Å; Y2-Q6 PolarHBondContact O-N 3.49Å
3	L	36.4	Very low	38.9	Very low	129 Å²	129	121.6 Å²	121.6	68%	0.675	56%	0.564	S	S	*	*	H	α-helix	trans	-77.9	-36	-169.5	-67.2	170.1	0	0	0	114.5	M1 Q6 W7	M1-L3 PolarHBondContact O-N 3.15Å; L3-Q6 PolarHBondContact O-N 2.92Å; L3-W7 WeakPolarHBondContact O-CB 3.39Å; L3-W7 PolarHBondContact O-N 3.04Å
4	M	35.8	Very low	38.8	Very low	118 Å²	118	117.9 Å²	117.9	58%	0.581	56%	0.564	S	S	*	*	H	α-helix	trans	-74.6	-35.3	175.4	-158.8	166.3	82	0	0	111.2	W7 I8 C88	M4-W7 PolarHBondContact O-N 2.73Å; M4-I8 WeakPolarHBondContact O-CG1 3.42Å; M4-I8 PolarHBondContact O-N 3.22Å; M4-C88 HydrophobicContact CE-CB 4.19Å
5	W	40	Very low	38.7	Very low	132 Å²	132	117.1 Å²	117.1	50%	0.5	58%	0.575	S	S	.	*	H	α-helix	trans	-68.4	-38	171.5	-143.9	89.5	0	0	0	111.4	W7 I8 Q9	W5-W7 VanDerWaalsContact C-N 3.34Å; W5-I8 PolarHBondContact O-N 3.29Å; W5-Q9 HydrophobicContact CD2-CG 4.24Å; W5-Q9 HydrophobicContact CE3-CG 3.38Å; W5-Q9 HydrophobicContact CH2-CG 4.22Å; W5-Q9 VanDerWaalsContact CZ3-CD 3.46Å; W5-Q9 HydrophobicContact CZ3-CG 3.38Å; W5-Q9 WeakPolarHBondContact O-CB 3.43Å; W5-Q9 WeakPolarHBondContact O-CG 3.38Å; W5-Q9 PolarHBondContact O-N 2.65Å
6	Q	38	Very low	38.5	Very low	103 Å²	103	123.7 Å²	123.7	48%	0.481	59%	0.591	S	S	.	*	H	α-helix	trans	-67.9	-29.1	170.6	-80.9	-177.6	-5	0	0	113.2	Y2 L3 G10	Y2-Q6 HydrophobicContact CD1-CG 4.26Å; Y2-Q6 WeakPolarHBondContact O-CB 3.49Å; Y2-Q6 WeakPolarHBondContact O-CG 2.88Å; Y2-Q6 PolarHBondContact O-N 3.49Å; L3-Q6 PolarHBondContact O-N 2.92Å; Q6-G10 WeakPolarHBondContact O-CA 3.41Å; Q6-G10 PolarHBondContact O-N 3.21Å
7	W	40.6	Very low	38.2	Very low	189 Å²	189	126.9 Å²	126.9	72%	0.716	61%	0.606	S	S	*	*	H	α-helix	trans	-70.4	-42.2	173.3	-121.9	78.9	0	0	0	111.8	L3 M4 W5 G10 L11	L3-W7 WeakPolarHBondContact O-CB 3.39Å; L3-W7 PolarHBondContact O-N 3.04Å; M4-W7 PolarHBondContact O-N 2.73Å; W5-W7 VanDerWaalsContact C-N 3.34Å; W7-G10 PolarHBondContact O-N 3.13Å; W7-L11 HydrophobicContact CE3-CD1 4.02Å; W7-L11 HydrophobicContact CE3-CG 4.45Å; W7-L11 HydrophobicContact CZ3-CD1 4.26Å; W7-L11 WeakPolarHBondContact O-CG 3.47Å; W7-L11 PolarHBondContact O-N 3.47Å
8	I	45.1	Very low	38.1	Very low	76 Å²	76	125.7 Å²	125.7	39%	0.39	61%	0.612	S	S	.	*	H	α-helix	trans	-66.7	-45.4	174.4	-65.8	168.3	0	0	0	110.5	M4 W5 G10 L11 T12	M4-I8 WeakPolarHBondContact O-CG1 3.42Å; M4-I8 PolarHBondContact O-N 3.22Å; W5-I8 PolarHBondContact O-N 3.29Å; I8-G10 PolarHBondContact O-N 3.06Å; I8-L11 PolarHBondContact O-N 3.14Å; I8-T12 PolarHBondContact O-N 3.41Å; I8-T12 PolarHBondContact O-OG1 3.15Å
9	Q	40.9	Very low	38.1	Very low	87 Å²	87	125.9 Å²	125.9	41%	0.407	62%	0.622	S	S	.	*	H	α-helix	trans	-62.5	-31.2	171.8	-68.4	-69.2	-36.5	0	0	112.6	W5 T12 R13	W5-Q9 HydrophobicContact CD2-CG 4.24Å; W5-Q9 HydrophobicContact CE3-CG 3.38Å; W5-Q9 HydrophobicContact CH2-CG 4.22Å; W5-Q9 VanDerWaalsContact CZ3-CD 3.46Å; W5-Q9 HydrophobicContact CZ3-CG 3.38Å; W5-Q9 WeakPolarHBondContact O-CB 3.43Å; W5-Q9 WeakPolarHBondContact O-CG 3.38Å; W5-Q9 PolarHBondContact O-N 2.65Å; Q9-T12 PolarHBondContact O-N 3.09Å; Q9-R13 PolarHBondContact O-N 3.05Å
10	G	38.9	Very low	37.7	Very low	37 Å²	37	123.2 Å²	123.2	38%	0.381	63%	0.627	S	S	.	*	H	α-helix	trans	-68.5	-40.9	175.6	0	0	0	0	0	112.7	Q6 W7 I8 R13 A14	Q6-G10 WeakPolarHBondContact O-CA 3.41Å; Q6-G10 PolarHBondContact O-N 3.21Å; W7-G10 PolarHBondContact O-N 3.13Å; I8-G10 PolarHBondContact O-N 3.06Å; G10-R13 PolarHBondContact O-N 3.42Å; G10-A14 PolarHBondContact O-N 3.32Å
11	L	41.4	Very low	37.1	Very low	100 Å²	100	127.9 Å²	127.9	52%	0.524	64%	0.639	S	S	.	*	H	α-helix	trans	-65.6	-39.1	171.8	-73.2	164.6	0	0	0	111.5	W7 I8 R13 A14 C15	W7-L11 HydrophobicContact CE3-CD1 4.02Å; W7-L11 HydrophobicContact CE3-CG 4.45Å; W7-L11 HydrophobicContact CZ3-CD1 4.26Å; W7-L11 WeakPolarHBondContact O-CG 3.47Å; W7-L11 PolarHBondContact O-N 3.47Å; I8-L11 PolarHBondContact O-N 3.14Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.33Å; L11-A14 PolarHBondContact O-N 3.31Å; L11-C15 PolarHBondContact O-N 3.09Å
12	T	37.7	Very low	36.7	Very low	68 Å²	68	129.5 Å²	129.5	42%	0.417	64%	0.644	S	S	.	*	H	α-helix	trans	-66.7	-31.7	174.2	-42.5	0	0	0	0	112.6	I8 Q9	I8-T12 PolarHBondContact O-N 3.41Å; I8-T12 PolarHBondContact O-OG1 3.15Å; Q9-T12 PolarHBondContact O-N 3.09Å
13	R	39.1	Very low	36.5	Very low	196 Å²	196	126.4 Å²	126.4	74%	0.74	65%	0.645	S	S	*	*	H	α-helix	trans	-72	-38	173.5	-106.2	-177.2	-165.7	-177.9	4.4	113.2	Q9 G10 L11 C15 R16	Q9-R13 PolarHBondContact O-N 3.05Å; G10-R13 PolarHBondContact O-N 3.42Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.33Å; R13-C15 VanDerWaalsContact C-N 3.3Å; R13-C15 PolarHBondContact O-N 2.92Å; R13-R16 WeakPolarHBondContact O-CB 3.43Å; R13-R16 PolarHBondContact O-N 2.9Å
14	A	37.5	Very low	36.1	Very low	69 Å²	69	127.7 Å²	127.7	57%	0.57	65%	0.652	S	S	*	*	H	α-helix	trans	-64.6	-32.2	179.5	0	0	0	0	0	112.7	G10 L11 R16	G10-A14 PolarHBondContact O-N 3.32Å; L11-A14 PolarHBondContact O-N 3.31Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.23Å
15	C	36.8	Very low	35.6	Very low	107 Å²	107	132.6 Å²	132.6	72%	0.723	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-70.8	-20.7	172.2	-98.2	0	0	0	0	114	L11 R13 Q17	L11-C15 PolarHBondContact O-N 3.09Å; R13-C15 VanDerWaalsContact C-N 3.3Å; R13-C15 PolarHBondContact O-N 2.92Å; C15-Q17 PolarHBondContact O-N 2.78Å
16	R	35.9	Very low	35.1	Very low	222 Å²	222	134.4 Å²	134.4	84%	0.838	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-82.7	-8.3	-174.4	-135.7	-178.8	-144.4	-128.2	5.1	114.3	R13 A14	R13-R16 WeakPolarHBondContact O-CB 3.43Å; R13-R16 PolarHBondContact O-N 2.9Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.23Å
17	Q	34.2	Very low	34.6	Very low	179 Å²	179	132.8 Å²	132.8	84%	0.836	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-105.1	0.3	-176.4	-90.4	157.7	-5.3	0	0	114.8	C15	C15-Q17 PolarHBondContact O-N 2.78Å
18	S	35.6	Very low	33.9	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	70%	0.7	S	S	*	*	S	Bend	trans	-99.7	-1	-179.7	-168.1	0	0	0	0	115.4
19	V	37.4	Very low	33.2	Very low	131 Å²	131	132.9 Å²	132.9	79%	0.794	72%	0.721	S	S	*	*			trans	-130.2	75.9	179.2	-166.2	0	0	0	0	109.9
20	G	30.5	Very low	32.5	Very low	70 Å²	70	138 Å²	138	72%	0.722	75%	0.745	S	S	*	*			trans	-97.2	103.4	164.3	0	0	0	0	0	109.6
21	Y	26.2	Very low	32.4	Very low	223 Å²	223	141 Å²	141	88%	0.875	77%	0.765	S	S	*	*			trans	-137.5	114.8	157.6	-103.7	-87.1	0	0	0	108.5
22	Q	28.8	Very low	31.7	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	78%	0.783	S	S	*	*			trans	-73.2	136.5	169	-72.1	179.5	-71.9	0	0	109.1
23	V	29.7	Very low	31.7	Very low	123 Å²	123	151.6 Å²	151.6	75%	0.745	81%	0.808	S	S	*	*			trans	-127.7	117.2	163.9	-176.2	0	0	0	0	108.6
24	N	27.4	Very low	31.1	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	81%	0.812	S	S	*	*			trans	-73.2	133.8	170.5	-87.9	-32.3	0	0	0	109.7
25	Y	26.3	Very low	30.7	Very low	221 Å²	221	155.6 Å²	155.6	87%	0.867	83%	0.825	S	S	*	*			trans	-84	126.6	168.8	-95.6	-92.5	0	0	0	110.4
26	N	29.1	Very low	30.4	Very low	170 Å²	170	156.1 Å²	156.1	91%	0.909	83%	0.825	S	S	*	*			trans	-158.1	116.8	153.3	-94.9	-17.3	0	0	0	110.4
27	G	28	Very low	30	Very low	70 Å²	70	150 Å²	150	72%	0.722	82%	0.815	S	S	*	*			trans	84.5	113	138.3	0	0	0	0	0	121.4
28	S	26	Very low	29.7	Very low	113 Å²	113	148.4 Å²	148.4	79%	0.79	81%	0.811	S	S	*	*			trans	70.7	121.1	135.2	46	0	0	0	0	122.6
29	D	30	Very low	29.4	Very low	154 Å²	154	150.7 Å²	150.7	82%	0.824	81%	0.811	S	S	*	*			trans	48.5	111.8	143	-63.6	-27.7	0	0	0	120.8
30	Q	26.7	Very low	29.4	Very low	194 Å²	194	149.7 Å²	149.7	91%	0.907	81%	0.806	S	S	*	*				173.5	151.8	105.3	-93	-178.7	1.3	0	0	110.9
31	A	35.1	Very low	30.2	Very low	99 Å²	99	155.4 Å²	155.4	82%	0.818	82%	0.817	S	S	*	*			trans	-68.4	128.7	-177	0	0	0	0	0	112.9
32	E	28.7	Very low	31.1	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	80%	0.795	S	S	*	*			trans	-138.9	133.6	147.5	-81.1	-165.3	112.6	0	0	110.3	E34	E32-E34 PolarHBondContact O-N 2.63Å
33	Q	37.3	Very low	32.3	Very low	201 Å²	201	141.7 Å²	141.7	94%	0.939	78%	0.781	S	S	*	*			trans	-83.4	84.3	-178.7	-168.2	163.5	41.8	0	0	107.7	M35	Q33-M35 PolarHBondContact O-N 2.99Å
34	E	26.5	Very low	32.9	Very low	178 Å²	178	142.7 Å²	142.7	83%	0.832	78%	0.778	S	S	*	*			trans	-81.1	108.3	173.8	-101.5	-171.5	146.3	0	0	110.6	E32 V36	E32-E34 PolarHBondContact O-N 2.63Å; E34-V36 PolarHBondContact O-N 3.43Å
35	M	29.1	Very low	34.2	Very low	170 Å²	170	140 Å²	140	84%	0.837	76%	0.756	S	S	*	*			trans	-64.2	97.4	163.5	-171.1	-170.4	-54	0	0	108	Q33 C37	Q33-M35 PolarHBondContact O-N 2.99Å; M35-C37 PolarHBondContact O-N 3.28Å
36	V	29.7	Very low	35.5	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.715	74%	0.735	S	S	*	*			trans	-69.6	101.2	172.9	-179.3	0	0	0	0	108	E34 L38	E34-V36 PolarHBondContact O-N 3.43Å; V36-L38 PolarHBondContact O-N 2.87Å
37	C	27.7	Very low	36.9	Very low	93 Å²	93	130 Å²	130	63%	0.628	71%	0.713	S	S	*	*			trans	-59.5	103.6	163.3	-66.8	0	0	0	0	108	M35 E39	M35-C37 PolarHBondContact O-N 3.28Å; C37-E39 VanDerWaalsContact C-N 3.28Å; C37-E39 PolarHBondContact O-N 3.42Å
38	L	28.3	Very low	38.4	Very low	147 Å²	147	132.3 Å²	132.3	77%	0.77	71%	0.706	S	S	*	*			trans	-65.9	93.5	163.3	-85	151.6	0	0	0	107.4	V36	V36-L38 PolarHBondContact O-N 2.87Å
39	E	29.5	Very low	40.2	Very low	152 Å²	152	129.5 Å²	129.5	71%	0.71	68%	0.678	S	S	*	*			trans	-59.2	125.7	166.6	-72.8	-75.1	128.2	0	0	108.7	C37 M41	C37-E39 VanDerWaalsContact C-N 3.28Å; C37-E39 PolarHBondContact O-N 3.42Å; E39-M41 PolarHBondContact O-N 3.19Å
40	P	36.6	Very low	41.7	Very low	109 Å²	109	128.3 Å²	128.3	71%	0.708	67%	0.666	S	S	*	*			trans	-75.2	92	179.8	28.8	-30.2	0	0	0	109.8	G42	P40-G42 PolarHBondContact O-N 3.38Å
41	M	47.7	Very low	43.4	Very low	190 Å²	190	127 Å²	127	94%	0.936	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	62.5	171	-71.5	-69.8	-80.9	0	0	111.5	E39	E39-M41 PolarHBondContact O-N 3.19Å
42	G	44.8	Very low	44.5	Very low	41 Å²	41	129 Å²	129	42%	0.423	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-136.7	-23.5	178	0	0	0	0	0	114.4	P40 M46	P40-G42 PolarHBondContact O-N 3.38Å; G42-M46 VanDerWaalsContact O-CB 3.3Å; G42-M46 WeakPolarHBondContact O-CB 3.27Å; G42-M46 PolarHBondContact O-N 3.29Å
43	S	53.6	Low	45.7	Very low	86 Å²	86	125.2 Å²	125.2	60%	0.601	63%	0.628	S	S	*	*	H	α-helix	trans	-70.6	-39.6	-172.4	-168.7	0	0	0	0	113.2	M46 E47	S43-M46 PolarHBondContact O-N 3.03Å; S43-E47 WeakPolarHBondContact O-CB 3.29Å; S43-E47 PolarHBondContact O-N 2.92Å
44	E	43.2	Very low	46.6	Very low	144 Å²	144	118.9 Å²	118.9	67%	0.673	61%	0.606	S	S	*	*	H	α-helix	trans	-72.2	-38.7	-173.8	-151	178.7	128.4	0	0	112	E47 M48	E44-E47 PolarHBondContact O-N 3.28Å; E44-M48 HydrophobicContact CG-CE 4.28Å; E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.01Å
45	R	54.1	Low	47.8	Very low	99 Å²	99	114.6 Å²	114.6	37%	0.374	59%	0.592	S	S	.	*	H	α-helix	trans	-68.5	-38.7	174.5	-169.9	175.4	-176	158.6	9.3	111.8	E47 M48 R49 E198	R45-E47 VanDerWaalsContact C-N 3.34Å; R45-M48 PolarHBondContact O-N 3.3Å; R45-R49 WeakPolarHBondContact O-CG 3.43Å; R45-R49 PolarHBondContact O-N 3.22Å; R45-E198 IonicContact CZ-OE2 3.11Å; R45-E198 VanDerWaalsContact NH2-CD 3.26Å; R45-E198 IonicContact NH2-OE1 3.86Å; R45-E198 IonicContact NH2-OE2 2.67Å; R45-E198 PolarHBondContact NH2-OE2 3.38Å
46	M	53.6	Low	48.5	Very low	86 Å²	86	113.4 Å²	113.4	42%	0.424	58%	0.584	S	S	.	*	H	α-helix	trans	-63.5	-40.3	174.4	-174.2	173.7	-176.6	0	0	111.5	G42 S43 R49 K50 E155 F156	G42-M46 VanDerWaalsContact O-CB 3.3Å; G42-M46 WeakPolarHBondContact O-CB 3.27Å; G42-M46 PolarHBondContact O-N 3.29Å; S43-M46 PolarHBondContact O-N 3.03Å; M46-R49 PolarHBondContact O-N 3.46Å; M46-K50 PolarHBondContact O-N 3.32Å; M46-E155 HydrophobicContact CE-CB 4.37Å; M46-E155 WeakPolarHBondContact CE-O 3.47Å; M46-F156 HydrophobicContact CE-CD2 4.23Å
47	E	59.4	Low	49.2	Very low	96 Å²	96	115.7 Å²	115.7	45%	0.449	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-39.8	177.5	-160.2	-175.9	153.1	0	0	112.6	S43 E44 R45 R49 K50 R51	S43-E47 WeakPolarHBondContact O-CB 3.29Å; S43-E47 PolarHBondContact O-N 2.92Å; E44-E47 PolarHBondContact O-N 3.28Å; R45-E47 VanDerWaalsContact C-N 3.34Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 2.95Å; E47-K50 WeakPolarHBondContact O-CB 2.8Å; E47-K50 PolarHBondContact O-N 3.36Å; E47-R51 PolarHBondContact O-N 3.23Å; E47-R51 IonicContact OE1-CZ 2.81Å; E47-R51 IonicContact OE1-NE 3.43Å; E47-R51 IonicContact OE1-NH2 3Å; E47-R51 PolarHBondContact OE1-NH2 2.74Å
48	M	59.7	Low	49.9	Very low	117 Å²	117	118.5 Å²	118.5	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-62.5	-39.4	173.9	-72.1	-167	-162.9	0	0	112.1	E44 R45 R51 Q52	E44-M48 HydrophobicContact CG-CE 4.28Å; E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.01Å; R45-M48 PolarHBondContact O-N 3.3Å; M48-R51 PolarHBondContact O-N 3.2Å; M48-Q52 PolarHBondContact O-N 3.33Å
49	R	64	Low	50.7	Low	54 Å²	54	116.1 Å²	116.1	20%	0.204	59%	0.587	C	S	.	*	H	α-helix	trans	-67.2	-38.7	175.9	-76.3	177	171.4	172.4	-5.9	112.8	R45 M46 E47 R51 Q52 M53 E159 E198	R45-R49 WeakPolarHBondContact O-CG 3.43Å; R45-R49 PolarHBondContact O-N 3.22Å; M46-R49 PolarHBondContact O-N 3.46Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 2.95Å; R49-R51 PolarHBondContact O-N 3.2Å; R49-Q52 PolarHBondContact O-N 2.94Å; R49-Q52 VanDerWaalsContact O-N 3.15Å; R49-M53 PolarHBondContact O-N 3.29Å; R49-E159 IonicContact CZ-OE1 3.83Å; R49-E159 IonicContact NH1-OE1 2.78Å; R49-E159 PolarHBondContact NH1-OE1 3.5Å; R49-E198 PolarHBondContact NH2-O 3.27Å
50	K	60.6	Low	51.4	Low	130 Å²	130	113.4 Å²	113.4	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-55.7	-39.9	173.7	-172.4	178.1	-179.5	179.4	0	111.8	M46 E47 S54	M46-K50 PolarHBondContact O-N 3.32Å; E47-K50 WeakPolarHBondContact O-CB 2.8Å; E47-K50 PolarHBondContact O-N 3.36Å; K50-S54 PolarHBondContact O-OG 2.87Å
51	R	62.2	Low	51.7	Low	166 Å²	166	112.6 Å²	112.6	63%	0.626	59%	0.593	S	S	*	*	H	α-helix	trans	-70.4	-36.1	178.1	-65.6	178.5	-172	-171.7	5.2	112.9	E47 M48 R49 V55	E47-R51 PolarHBondContact O-N 3.23Å; E47-R51 IonicContact OE1-CZ 2.81Å; E47-R51 IonicContact OE1-NE 3.43Å; E47-R51 IonicContact OE1-NH2 3Å; E47-R51 PolarHBondContact OE1-NH2 2.74Å; M48-R51 PolarHBondContact O-N 3.2Å; R49-R51 PolarHBondContact O-N 3.2Å; R51-V55 WeakPolarHBondContact O-CG2 3.27Å
52	Q	57.6	Low	50.9	Low	141 Å²	141	107.4 Å²	107.4	66%	0.659	59%	0.588	S	S	*	*	H	α-helix	trans	-68.9	-36.1	179.3	-85.3	-178.6	-20.7	0	0	113.8	M48 R49 V55	M48-Q52 PolarHBondContact O-N 3.33Å; R49-Q52 PolarHBondContact O-N 2.94Å; R49-Q52 VanDerWaalsContact O-N 3.15Å; Q52-V55 PolarHBondContact O-N 2.82Å
53	M	55.7	Low	50.3	Low	111 Å²	111	109 Å²	109	55%	0.547	61%	0.605	S	S	.	*	H	α-helix	trans	-75.1	-30.6	178.7	-74.8	178.2	69.8	0	0	113.3	R49 V55 Q56 Q57 F156	R49-M53 PolarHBondContact O-N 3.29Å; M53-V55 VanDerWaalsContact C-N 3.28Å; M53-V55 PolarHBondContact O-N 3.2Å; M53-Q56 PolarHBondContact O-N 3.44Å; M53-Q57 PolarHBondContact O-N 2.92Å; M53-F156 HydrophobicContact SD-CD1 4.22Å; M53-F156 HydrophobicContact SD-CE1 4.47Å
54	S	54.1	Low	49.3	Very low	68 Å²	68	112 Å²	112	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-61.4	-36.2	172.4	-67.3	0	0	0	0	112.4	K50 Q56 Q57	K50-S54 PolarHBondContact O-OG 2.87Å; S54-Q56 PolarHBondContact O-N 3.05Å; S54-Q57 PolarHBondContact O-N 2.72Å
55	V	51.8	Low	49	Very low	88 Å²	88	109.6 Å²	109.6	53%	0.533	63%	0.625	S	S	.	*	H	α-helix	trans	-69.2	-32	179	175.4	0	0	0	0	112.3	R51 Q52 M53 Q57 S59	R51-V55 WeakPolarHBondContact O-CG2 3.27Å; Q52-V55 PolarHBondContact O-N 2.82Å; M53-V55 VanDerWaalsContact C-N 3.28Å; M53-V55 PolarHBondContact O-N 3.2Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-S59 PolarHBondContact O-OG 3.05Å
56	Q	44.4	Very low	48.3	Very low	145 Å²	145	111 Å²	111	68%	0.678	65%	0.647	S	S	*	*	H	α-helix	trans	-71.6	-27.7	176.4	-72.6	-179.9	-13.1	0	0	112.7	M53 S54	M53-Q56 PolarHBondContact O-N 3.44Å; S54-Q56 PolarHBondContact O-N 3.05Å
57	Q	45.1	Very low	47.3	Very low	166 Å²	166	111.4 Å²	111.4	78%	0.776	66%	0.663	S	S	*	*	H	α-helix	trans	-75.5	-28.5	179.5	-159.9	165.4	34	0	0	112.7	M53 S54 V55	M53-Q57 PolarHBondContact O-N 2.92Å; S54-Q57 PolarHBondContact O-N 2.72Å; V55-Q57 VanDerWaalsContact C-N 3.33Å
58	E	42.1	Very low	46	Very low	153 Å²	153	115 Å²	115	72%	0.715	68%	0.68	S	S	*	*	H	α-helix	trans	-78.7	-19	176.9	-69.9	179.1	122.6	0	0	113.3	A60	E58-A60 VanDerWaalsContact C-N 3.28Å; E58-A60 PolarHBondContact O-N 3.31Å
59	S	44.5	Very low	44.5	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.3	-176	-54.9	0	0	0	0	114.2	V55	V55-S59 PolarHBondContact O-OG 3.05Å
60	A	44	Very low	42.8	Very low	94 Å²	94	122.3 Å²	122.3	78%	0.777	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-2	-177.4	0	0	0	0	0	114.2	E58	E58-A60 VanDerWaalsContact C-N 3.28Å; E58-A60 PolarHBondContact O-N 3.31Å
61	A	42.8	Very low	41.3	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	73%	0.73	S	S	*	*	S	Bend	trans	-127.3	76.4	-176.7	0	0	0	0	0	111.7
62	G	32.2	Very low	40.4	Very low	80 Å²	80	120.8 Å²	120.8	83%	0.825	73%	0.73	S	S	*	*			trans	170.4	82.4	171	0	0	0	0	0	114.1
63	G	32	Very low	39	Very low	76 Å²	76	119.2 Å²	119.2	78%	0.784	73%	0.734	S	S	*	*			trans	-112.3	120.7	172	0	0	0	0	0	111.9
64	T	32.9	Very low	37.9	Very low	148 Å²	148	123.7 Å²	123.7	91%	0.908	75%	0.754	S	S	*	*			trans	-151.2	118.9	155.7	2.9	0	0	0	0	109.8
65	A	37.3	Very low	36.7	Very low	94 Å²	94	125.1 Å²	125.1	78%	0.777	77%	0.769	S	S	*	*			trans	-88.2	166.8	175.4	0	0	0	0	0	112
66	P	37.5	Very low	36.1	Very low	129 Å²	129	127.5 Å²	127.5	84%	0.838	78%	0.779	S	S	*	*				-141.2	159.1	119.1	32.4	-15.5	0	0	0	116
67	A	32.7	Very low	36.2	Very low	93 Å²	93	126.3 Å²	126.3	77%	0.769	78%	0.784	S	S	*	*			trans	-69.9	172	171.5	0	0	0	0	0	112
68	Q	32.2	Very low	36.4	Very low	171 Å²	171	130 Å²	130	80%	0.799	79%	0.791	S	S	*	*			cis	178.8	151.9	35.4	-157.7	173.4	5.8	0	0	107.9
69	Q	28.7	Very low	35.9	Very low	195 Å²	195	125.8 Å²	125.8	91%	0.911	79%	0.789	S	S	*	*			trans	164.5	152.9	130.6	-91	176.7	-3.7	0	0	116.2
70	D	29.3	Very low	35.8	Very low	131 Å²	131	126.9 Å²	126.9	70%	0.701	80%	0.797	S	S	*	*			trans	-90.6	143.5	-152.2	-111.8	-61.9	0	0	0	118.8
71	Q	28.1	Very low	35.7	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	80%	0.804	S	S	*	*			trans	55.7	166.6	132	-90.6	-172.8	75.8	0	0	125.8
72	P	42.8	Very low	35.7	Very low	96 Å²	96	130.1 Å²	130.1	62%	0.623	80%	0.8	S	S	*	*			cis	-141	163.8	-16.9	37.3	-17.2	0	0	0	118.9
73	S	29.6	Very low	36.3	Very low	108 Å²	108	132 Å²	132	76%	0.755	80%	0.799	S	S	*	*			trans	55.3	125.3	142.3	56.4	0	0	0	0	124.9
74	Q	31	Very low	36.7	Very low	206 Å²	206	133.6 Å²	133.6	96%	0.963	80%	0.796	S	S	*	*				-165.9	162	128.4	-110.5	176.5	28	0	0	114.1
75	A	30.5	Very low	37	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	79%	0.794	S	S	*	*			trans	-78.4	158.9	-150	0	0	0	0	0	118.3
76	N	37.8	Very low	37.1	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	78%	0.778	S	S	*	*			trans	-75.6	152.3	168.8	-162.5	9.6	0	0	0	111.3
77	P	48.2	Very low	38.1	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	77%	0.765	S	S	*	*				-138.4	151.4	118.6	34	-18.9	0	0	0	115.1
78	R	48.2	Very low	39.6	Very low	242 Å²	242	135 Å²	135	91%	0.913	76%	0.755	S	S	*	*			trans	-50.7	136.3	-179.6	-64.2	167.1	171.3	167.1	-4.2	113.8
79	G	31.3	Very low	40.2	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	75%	0.754	S	S	*	*			trans	-151.5	104.8	166	0	0	0	0	0	111.7
80	S	43.8	Very low	42.1	Very low	119 Å²	119	129 Å²	129	83%	0.832	75%	0.751	S	S	*	*			trans	35.4	97.5	154.7	-53.6	0	0	0	0	119.4	A82	S80-A82 PolarHBondContact O-N 2.76Å
81	N	41.7	Very low	42.5	Very low	173 Å²	173	128.7 Å²	128.7	93%	0.925	76%	0.758	S	S	*	*			trans	-71	78.2	160.7	-75	-13.7	0	0	0	110.5	C83	N81-C83 PolarHBondContact O-N 3.42Å
82	A	42.7	Very low	43.2	Very low	83 Å²	83	125.9 Å²	125.9	69%	0.686	76%	0.756	S	S	*	*			trans	-82.4	98.2	151.4	0	0	0	0	0	106.4	S80 C84	S80-A82 PolarHBondContact O-N 2.76Å; A82-C84 PolarHBondContact O-N 3.02Å
83	C	44.5	Very low	43.4	Very low	120 Å²	120	127.4 Å²	127.4	81%	0.811	77%	0.768	S	S	*	*			trans	-55.2	109	176.2	166.8	0	0	0	0	110	N81	N81-C83 PolarHBondContact O-N 3.42Å
84	C	39.9	Very low	43.8	Very low	108 Å²	108	125.7 Å²	125.7	73%	0.73	76%	0.756	S	S	*	*			trans	-73.2	124	174.8	-67.1	0	0	0	0	110.2	A82 C86	A82-C84 PolarHBondContact O-N 3.02Å; C84-C86 PolarHBondContact O-N 3.13Å
85	F	39.8	Very low	44.3	Very low	197 Å²	197	125.2 Å²	125.2	86%	0.864	75%	0.745	S	S	*	*			trans	-58.9	79	158.9	-92.6	-100.9	0	0	0	109.7
86	C	39.7	Very low	45	Very low	63 Å²	63	126.5 Å²	126.5	43%	0.426	74%	0.739	S	S	.	*			trans	-127.9	107.5	173.9	-165.9	0	0	0	0	108.9	C84 C88	C84-C86 PolarHBondContact O-N 3.13Å; C86-C88 PolarHBondContact O-N 3.26Å; C86-C88 PolarHBondContact SG-O 3.43Å; C86-C88 VanDerWaalsContact SG-O 3.38Å
87	W	58.4	Low	45.2	Very low	151 Å²	151	126.9 Å²	126.9	57%	0.572	74%	0.736	S	S	*	*	S	Bend	trans	-63.5	-2.9	178	-164.2	-84.6	0	0	0	114.5	R184 E188	W87-R184 HydrophobicContact CH2-CB 3.53Å; W87-R184 HydrophobicContact CH2-CG 3.57Å; W87-R184 HydrophobicContact CZ2-CB 3.38Å; W87-R184 HydrophobicContact CZ2-CG 3.01Å; W87-E188 PolarHBondContact NE1-OE1 3.49Å
88	C	62.8	Low	45.1	Very low	83 Å²	83	125.1 Å²	125.1	56%	0.561	72%	0.72	S	S	*	*			trans	-164.6	103.1	169.1	-126.2	0	0	0	0	108.9	M4 C86	M4-C88 HydrophobicContact CE-CB 4.19Å; C86-C88 PolarHBondContact O-N 3.26Å; C86-C88 PolarHBondContact SG-O 3.43Å; C86-C88 VanDerWaalsContact SG-O 3.38Å
89	C	46.6	Very low	45.3	Very low	115 Å²	115	117.7 Å²	117.7	78%	0.777	69%	0.692	S	S	*	*			trans	-145.8	114.1	149.6	-136.8	0	0	0	0	109.8	C91	C89-C91 PolarHBondContact O-N 3.12Å
90	C	67.6	Low	46.2	Very low	124 Å²	124	119.5 Å²	119.5	84%	0.838	69%	0.686	S	S	*	*			trans	-55.8	116.3	169.3	-66.4	0	0	0	0	111
91	C	38.8	Very low	46.1	Very low	126 Å²	126	119.9 Å²	119.9	85%	0.851	68%	0.675	S	S	*	*			trans	-140	105.3	144.3	-94.1	0	0	0	0	107.9	C89	C89-C91 PolarHBondContact O-N 3.12Å
92	S	42.5	Very low	46.6	Very low	107 Å²	107	118 Å²	118	75%	0.748	66%	0.655	S	S	*	*	S	Bend	trans	57.7	91.1	158.9	-51.7	0	0	0	0	119.3	S94	S92-S94 PolarHBondContact O-N 3.5Å
93	C	47	Very low	46.8	Very low	128 Å²	128	118.9 Å²	118.9	87%	0.865	65%	0.648	S	S	*	*	S	Bend		49.9	66.7	121.6	-52.6	0	0	0	0	120.3
94	S	37.6	Very low	46.7	Very low	72 Å²	72	122.1 Å²	122.1	50%	0.503	64%	0.643	S	S	.	*	S	Bend	trans	-152.8	-15.5	148.3	-70.9	0	0	0	0	113.3	S92 D98	S92-S94 PolarHBondContact O-N 3.5Å; S94-D98 PolarHBondContact O-N 3.33Å
95	W	40.4	Very low	46.6	Very low	197 Å²	197	122.1 Å²	122.1	75%	0.746	63%	0.631	S	S	*	*	H	α-helix	trans	-77.8	-21.5	-171.9	-73.2	77.5	0	0	0	116.1	R99	W95-R99 WeakPolarHBondContact O-CB 3.46Å; W95-R99 PolarHBondContact O-N 3.4Å; W95-R99 VanDerWaalsContact O-N 3.12Å
96	N	46.7	Very low	46.8	Very low	123 Å²	123	115.7 Å²	115.7	66%	0.658	61%	0.614	S	S	*	*	H	α-helix	trans	-75.5	-38.5	176.2	-96.1	-30.6	0	0	0	111.8	R99 D100	N96-R99 PolarHBondContact O-N 3.34Å; N96-D100 PolarHBondContact O-N 2.88Å
97	E	41.6	Very low	47	Very low	148 Å²	148	117.4 Å²	117.4	69%	0.692	63%	0.627	S	S	*	*	H	α-helix	trans	-67.7	-42.3	175.3	-66.9	-174.1	129.9	0	0	110.4	R99 D100 E101	E97-R99 PolarHBondContact O-N 3.25Å; E97-D100 PolarHBondContact O-N 3.34Å; E97-E101 VanDerWaalsContact O-CB 3.24Å; E97-E101 WeakPolarHBondContact O-CB 3.41Å; E97-E101 PolarHBondContact O-N 3.31Å
98	D	46.7	Very low	46.1	Very low	83 Å²	83	116.2 Å²	116.2	44%	0.444	62%	0.623	S	S	.	*	H	α-helix	trans	-63.8	-23.3	173.2	-102.6	-46.8	0	0	0	113.8	S94 R102	S94-D98 PolarHBondContact O-N 3.33Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.46Å; D98-R102 PolarHBondContact O-N 3.19Å; D98-R102 PolarHBondContact O-NE 3.29Å
99	R	52.2	Low	44.7	Very low	85 Å²	85	116.9 Å²	116.9	32%	0.321	62%	0.621	S	S	.	*	H	α-helix	trans	-79.5	-45.9	174.4	178.7	-174.2	167.3	-133.8	1.6	110.7	W95 N96 E97 E101 R102 N103 D189	W95-R99 WeakPolarHBondContact O-CB 3.46Å; W95-R99 PolarHBondContact O-N 3.4Å; W95-R99 VanDerWaalsContact O-N 3.12Å; N96-R99 PolarHBondContact O-N 3.34Å; E97-R99 PolarHBondContact O-N 3.25Å; R99-E101 VanDerWaalsContact C-N 3.26Å; R99-E101 PolarHBondContact O-N 3.33Å; R99-R102 PolarHBondContact O-N 3.05Å; R99-N103 WeakPolarHBondContact O-CB 3.45Å; R99-N103 PolarHBondContact O-N 2.75Å; R99-D189 IonicContact NH2-OD1 3.37Å; R99-D189 PolarHBondContact NH2-OD1 2.82Å; R99-D189 IonicContact NH2-OD2 2.67Å; R99-D189 PolarHBondContact NH2-OD2 3.48Å
100	D	48.6	Very low	44.5	Very low	105 Å²	105	117 Å²	117	56%	0.561	62%	0.618	S	S	*	*	H	α-helix	trans	-65	-33.8	174.9	-93.9	-23.5	0	0	0	111.6	N96 E97 R104	N96-D100 PolarHBondContact O-N 2.88Å; E97-D100 PolarHBondContact O-N 3.34Å; D100-R104 VanDerWaalsContact O-CB 3.25Å; D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.23Å
101	E	43.5	Very low	43.1	Very low	126 Å²	126	119.5 Å²	119.5	59%	0.589	61%	0.614	S	S	*	*	H	α-helix	trans	-78.4	-34.4	177.5	-161.2	143.7	-159.8	0	0	112.4	E97 R99 K105	E97-E101 VanDerWaalsContact O-CB 3.24Å; E97-E101 WeakPolarHBondContact O-CB 3.41Å; E97-E101 PolarHBondContact O-N 3.31Å; R99-E101 VanDerWaalsContact C-N 3.26Å; R99-E101 PolarHBondContact O-N 3.33Å; E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 PolarHBondContact O-N 2.9Å
102	R	51.6	Low	43.2	Very low	135 Å²	135	121.6 Å²	121.6	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-72.1	-33	168	-83.4	-179.5	-78.3	-177.8	-8.8	113.5	D98 R99 K105 A106	D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.46Å; D98-R102 PolarHBondContact O-N 3.19Å; D98-R102 PolarHBondContact O-NE 3.29Å; R99-R102 PolarHBondContact O-N 3.05Å; R102-K105 CarbonylContact O-C 3.51Å; R102-K105 PolarHBondContact O-N 3.43Å; R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.35Å; R102-A106 PolarHBondContact O-N 3.17Å
103	N	46	Very low	42.8	Very low	101 Å²	101	120 Å²	120	54%	0.54	61%	0.612	S	S	.	*	H	α-helix	trans	-71.2	-38.1	172.7	-170.4	31.4	0	0	0	110.4	R99 S107	R99-N103 WeakPolarHBondContact O-CB 3.45Å; R99-N103 PolarHBondContact O-N 2.75Å; N103-S107 VanDerWaalsContact O-CB 3.27Å; N103-S107 WeakPolarHBondContact O-CB 3.17Å; N103-S107 PolarHBondContact O-N 2.77Å
104	R	42.6	Very low	42.5	Very low	187 Å²	187	119.7 Å²	119.7	71%	0.706	61%	0.607	S	S	*	*	H	α-helix	trans	-61.8	-42.8	165.5	-92.3	178.1	164.3	163.7	-2.5	111.5	D100 S107 Y108	D100-R104 VanDerWaalsContact O-CB 3.25Å; D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.23Å; R104-S107 CarbonylContact O-C 3.6Å; R104-S107 WeakPolarHBondContact O-CA 3.21Å; R104-S107 VanDerWaalsContact O-CB 3.24Å; R104-S107 WeakPolarHBondContact O-CB 3.5Å; R104-S107 PolarHBondContact O-N 2.89Å; R104-Y108 VanDerWaalsContact C-CE1 3.48Å; R104-Y108 HydrophobicContact CB-CE1 4.35Å; R104-Y108 WeakPolarHBondContact O-CD1 2.96Å; R104-Y108 WeakPolarHBondContact O-CE1 3.16Å; R104-Y108 PolarHBondContact O-N 3.43Å
105	K	37.7	Very low	43.2	Very low	109 Å²	109	121.8 Å²	121.8	47%	0.474	62%	0.621	S	S	.	*	H	α-helix	trans	-66.9	-39.6	178.2	-167.8	148.2	-148	125	0	113.6	E101 R102 S107 Y108 D109	E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 PolarHBondContact O-N 2.9Å; R102-K105 CarbonylContact O-C 3.51Å; R102-K105 PolarHBondContact O-N 3.43Å; K105-S107 PolarHBondContact O-N 3.04Å; K105-Y108 HydrophobicContact CB-CE1 3.75Å; K105-Y108 HydrophobicContact CB-CE2 3.88Å; K105-Y108 VanDerWaalsContact CB-OH 3.28Å; K105-Y108 WeakPolarHBondContact CB-OH 3.28Å; K105-Y108 HydrophobicContact CD-CE2 3.92Å; K105-Y108 WeakPolarHBondContact CD-OH 3.16Å; K105-Y108 WeakPolarHBondContact CE-OH 3.29Å; K105-Y108 HydrophobicContact CG-CD2 4.29Å; K105-Y108 HydrophobicContact CG-CE1 4.21Å; K105-Y108 HydrophobicContact CG-CE2 3.39Å; K105-Y108 WeakPolarHBondContact CG-OH 3.38Å; K105-Y108 PolarHBondContact NZ-OH 3.31Å; K105-Y108 PolarHBondContact O-N 2.76Å; K105-D109 PolarHBondContact O-N 3.35Å
106	A	44.6	Very low	43	Very low	62 Å²	62	119.6 Å²	119.6	51%	0.512	62%	0.624	S	S	.	*	H	α-helix	trans	-65	-31.5	167.9	0	0	0	0	0	111.5	R102 Y108	R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.35Å; R102-A106 PolarHBondContact O-N 3.17Å; A106-Y108 VanDerWaalsContact C-N 3.33Å
107	S	42.9	Very low	42.6	Very low	99 Å²	99	118.7 Å²	118.7	69%	0.692	63%	0.626	S	S	*	*	H	α-helix	trans	-74.9	-14.4	174.1	-175.6	0	0	0	0	114.4	N103 R104 K105	N103-S107 VanDerWaalsContact O-CB 3.27Å; N103-S107 WeakPolarHBondContact O-CB 3.17Å; N103-S107 PolarHBondContact O-N 2.77Å; R104-S107 CarbonylContact O-C 3.6Å; R104-S107 WeakPolarHBondContact O-CA 3.21Å; R104-S107 VanDerWaalsContact O-CB 3.24Å; R104-S107 WeakPolarHBondContact O-CB 3.5Å; R104-S107 PolarHBondContact O-N 2.89Å; K105-S107 PolarHBondContact O-N 3.04Å
108	Y	40.2	Very low	42.6	Very low	125 Å²	125	118.9 Å²	118.9	49%	0.49	63%	0.627	S	S	.	*	H	α-helix	trans	-116.7	-4.4	178.2	62.1	-115.6	0	0	0	115.5	R104 K105 A106	R104-Y108 VanDerWaalsContact C-CE1 3.48Å; R104-Y108 HydrophobicContact CB-CE1 4.35Å; R104-Y108 WeakPolarHBondContact O-CD1 2.96Å; R104-Y108 WeakPolarHBondContact O-CE1 3.16Å; R104-Y108 PolarHBondContact O-N 3.43Å; K105-Y108 HydrophobicContact CB-CE1 3.75Å; K105-Y108 HydrophobicContact CB-CE2 3.88Å; K105-Y108 VanDerWaalsContact CB-OH 3.28Å; K105-Y108 WeakPolarHBondContact CB-OH 3.28Å; K105-Y108 HydrophobicContact CD-CE2 3.92Å; K105-Y108 WeakPolarHBondContact CD-OH 3.16Å; K105-Y108 WeakPolarHBondContact CE-OH 3.29Å; K105-Y108 HydrophobicContact CG-CD2 4.29Å; K105-Y108 HydrophobicContact CG-CE1 4.21Å; K105-Y108 HydrophobicContact CG-CE2 3.39Å; K105-Y108 WeakPolarHBondContact CG-OH 3.38Å; K105-Y108 PolarHBondContact NZ-OH 3.31Å; K105-Y108 PolarHBondContact O-N 2.76Å; A106-Y108 VanDerWaalsContact C-N 3.33Å
109	D	32.5	Very low	42.3	Very low	97 Å²	97	122 Å²	122	52%	0.519	64%	0.643	S	S	.	*			trans	-122.3	34.5	176.3	-110.4	-57.8	0	0	0	111.9	K105 K111	K105-D109 PolarHBondContact O-N 3.35Å; D109-K111 PolarHBondContact O-N 3Å
110	V	44.3	Very low	42	Very low	117 Å²	117	121.7 Å²	121.7	71%	0.709	65%	0.654	S	S	*	*			trans	-68	84.1	153.1	179.2	0	0	0	0	106.2	E112	V110-E112 PolarHBondContact O-N 3.27Å; V110-E112 VanDerWaalsContact O-N 3.09Å
111	K	36.9	Very low	42.5	Very low	178 Å²	178	121.6 Å²	121.6	77%	0.774	66%	0.659	S	S	*	*			trans	-56.6	114.2	156.7	-83.1	179.4	176.1	174.2	0	106.4	D109 G113	D109-K111 PolarHBondContact O-N 3Å; K111-G113 VanDerWaalsContact C-N 3.26Å; K111-G113 PolarHBondContact O-N 2.89Å
112	E	40.3	Very low	43.5	Very low	169 Å²	169	122.9 Å²	122.9	79%	0.79	67%	0.67	S	S	*	*			trans	-47.6	93.4	164.1	-74.8	170.6	142.5	0	0	109.1	V110 T114	V110-E112 PolarHBondContact O-N 3.27Å; V110-E112 VanDerWaalsContact O-N 3.09Å; E112-T114 VanDerWaalsContact C-N 3.34Å; E112-T114 PolarHBondContact O-N 3.45Å
113	G	34.4	Very low	44.6	Very low	74 Å²	74	118.5 Å²	118.5	76%	0.763	66%	0.659	S	S	*	*			trans	-81.3	89.7	161.1	0	0	0	0	0	106.7	K111 S115	K111-G113 VanDerWaalsContact C-N 3.26Å; K111-G113 PolarHBondContact O-N 2.89Å; G113-S115 PolarHBondContact O-N 3.08Å
114	T	42.1	Very low	46.3	Very low	122 Å²	122	117.2 Å²	117.2	75%	0.748	66%	0.655	S	S	*	*			trans	-48.4	114.8	178	50.7	0	0	0	0	112.5	E112	E112-T114 VanDerWaalsContact C-N 3.34Å; E112-T114 PolarHBondContact O-N 3.45Å
115	S	50.6	Low	48.2	Very low	115 Å²	115	111.4 Å²	111.4	80%	0.804	64%	0.637	S	S	*	*	S	Bend	trans	-146.3	82.5	144.8	-178.7	0	0	0	0	106.8	G113	G113-S115 PolarHBondContact O-N 3.08Å
116	D	37.5	Very low	50.4	Low	152 Å²	152	113.2 Å²	113.2	81%	0.813	65%	0.647	S	S	*	*	S	Bend	trans	40.8	85.9	170.5	-74.8	-14.9	0	0	0	118.5
117	C	38.3	Very low	52.2	Low	103 Å²	103	113.3 Å²	113.3	70%	0.696	64%	0.64	S	S	*	*				-160.1	84.5	125.2	18.3	0	0	0	0	109.6
118	E	41.8	Very low	54.4	Low	152 Å²	152	108.7 Å²	108.7	71%	0.71	61%	0.607	S	S	*	*			trans	-47.7	140.2	161.7	-70.4	-84.9	122.7	0	0	110.7
119	D	40	Very low	56.8	Low	148 Å²	148	109.9 Å²	109.9	79%	0.791	61%	0.611	S	S	*	*	S	Bend	trans	29.6	95.1	161.6	-109.2	-34.7	0	0	0	114.9	P121	D119-P121 WeakPolarHBondContact O-CD 3.24Å; D119-P121 WeakPolarHBondContact O-CG 3.34Å
120	C	45.6	Very low	59.7	Low	79 Å²	79	107.2 Å²	107.2	53%	0.534	60%	0.598	S	S	.	*			trans	-54.8	103.6	178.6	-75.5	0	0	0	0	110.1
121	P	58.1	Low	62	Low	103 Å²	103	101.7 Å²	101.7	67%	0.669	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-64.6	151.4	176.4	-13.1	30.6	0	0	0	107	D119	D119-P121 WeakPolarHBondContact O-CD 3.24Å; D119-P121 WeakPolarHBondContact O-CG 3.34Å
122	N	65	Low	64.7	Low	153 Å²	153	94.6 Å²	94.6	82%	0.818	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-49.4	124	167.7	-77.7	-51.9	0	0	0	107.9	T124	N122-T124 PolarHBondContact O-N 2.63Å
123	P	75	Confident	67.2	Low	44 Å²	44	92.6 Å²	92.6	29%	0.286	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-56.8	129.8	-172.2	23.9	-34.6	0	0	0	108.6	D127 V128 W131 A143	P123-D127 HydrophobicContact CB-CB 4.4Å; P123-V128 HydrophobicContact CB-CG2 4.08Å; P123-V128 HydrophobicContact CG-CG2 4.32Å; P123-W131 HydrophobicContact CB-CH2 3.63Å; P123-W131 HydrophobicContact CB-CZ2 3.67Å; P123-W131 HydrophobicContact CG-CH2 3.79Å; P123-W131 HydrophobicContact CG-CZ2 4.34Å; P123-A143 HydrophobicContact CB-CB 4.07Å; P123-A143 HydrophobicContact CG-CB 4.22Å
124	T	81.5	Confident	70.1	Confident	74 Å²	74	90.6 Å²	90.6	45%	0.454	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-67.7	158.1	178	68.7	0	0	0	0	109.3	N122 E126 D127 V128	N122-T124 PolarHBondContact O-N 2.63Å; T124-E126 PolarHBondContact O-N 3.22Å; T124-E126 VanDerWaalsContact O-N 3.15Å; T124-D127 WeakPolarHBondContact CB-OD2 3.27Å; T124-D127 PolarHBondContact N-OD2 3.46Å; T124-D127 WeakPolarHBondContact O-CB 3.24Å; T124-D127 PolarHBondContact O-N 3.37Å; T124-D127 PolarHBondContact OG1-N 2.99Å; T124-D127 PolarHBondContact OG1-OD2 2.79Å; T124-V128 WeakPolarHBondContact O-CG2 3.28Å; T124-V128 PolarHBondContact O-N 3.02Å
125	L	83.1	Confident	72.7	Confident	64 Å²	64	84.9 Å²	84.9	34%	0.335	47%	0.471	S	S	.	.	H	α-helix	trans	-57.9	-30.6	176.3	-176.2	64.7	0	0	0	111.9	R129 L250	L125-R129 VanDerWaalsContact O-CG 3.29Å; L125-R129 WeakPolarHBondContact O-CG 3.49Å; L125-R129 PolarHBondContact O-N 3Å; L125-R129 VanDerWaalsContact O-N 3.13Å; L125-L250 HydrophobicContact CD1-CD2 4.14Å; L125-L250 WeakPolarHBondContact CD1-O 3.32Å
126	E	82.9	Confident	74.8	Confident	147 Å²	147	83.7 Å²	83.7	69%	0.687	46%	0.456	S	S	*	.	H	α-helix	trans	-67.6	-45.1	175.2	-169.3	163.9	-169	0	0	111.2	T124 V128 R129 T130	T124-E126 PolarHBondContact O-N 3.22Å; T124-E126 VanDerWaalsContact O-N 3.15Å; E126-V128 PolarHBondContact O-N 2.82Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.94Å; E126-R129 VanDerWaalsContact O-N 3.14Å; E126-T130 WeakPolarHBondContact O-CG2 3.29Å; E126-T130 PolarHBondContact O-N 3.08Å
127	D	84	Confident	77.5	Confident	65 Å²	65	80.7 Å²	80.7	35%	0.348	44%	0.436	S	S	.	.	H	α-helix	trans	-56.7	-48.8	174.8	-60	-44.7	0	0	0	111.2	P123 T124 R129 T130 W131	P123-D127 HydrophobicContact CB-CB 4.4Å; T124-D127 WeakPolarHBondContact CB-OD2 3.27Å; T124-D127 PolarHBondContact N-OD2 3.46Å; T124-D127 WeakPolarHBondContact O-CB 3.24Å; T124-D127 PolarHBondContact O-N 3.37Å; T124-D127 PolarHBondContact OG1-N 2.99Å; T124-D127 PolarHBondContact OG1-OD2 2.79Å; D127-R129 VanDerWaalsContact C-N 3.27Å; D127-R129 PolarHBondContact O-N 3.43Å; D127-T130 WeakPolarHBondContact O-CB 3.42Å; D127-T130 PolarHBondContact O-N 2.67Å; D127-T130 PolarHBondContact O-OG1 3.46Å; D127-W131 PolarHBondContact O-N 2.85Å; D127-W131 PolarHBondContact O-NE1 3.27Å
128	V	88.6	Confident	80.2	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.012	40%	0.403	C	S	.	.	H	α-helix	trans	-59.8	-39	179.4	-178.6	0	0	0	0	111	P123 T124 E126 T130 W131 Y246 L249 L250	P123-V128 HydrophobicContact CB-CG2 4.08Å; P123-V128 HydrophobicContact CG-CG2 4.32Å; T124-V128 WeakPolarHBondContact O-CG2 3.28Å; T124-V128 PolarHBondContact O-N 3.02Å; E126-V128 PolarHBondContact O-N 2.82Å; V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 3.49Å; V128-W131 HydrophobicContact CB-CE3 4.47Å; V128-W131 HydrophobicContact CG1-CE3 4.28Å; V128-W131 HydrophobicContact CG2-CE3 4.4Å; V128-W131 HydrophobicContact CG2-CH2 4.2Å; V128-W131 HydrophobicContact CG2-CZ3 4.09Å; V128-W131 WeakPolarHBondContact O-CB 3.36Å; V128-W131 PolarHBondContact O-N 3.21Å; V128-Y246 HydrophobicContact CG1-CD2 4.19Å; V128-Y246 HydrophobicContact CG1-CE2 3.7Å; V128-Y246 WeakPolarHBondContact O-CE2 3.25Å; V128-Y246 PolarHBondContact O-OH 3.35Å; V128-L249 HydrophobicContact CG1-CB 3.71Å; V128-L249 HydrophobicContact CG2-CB 4.15Å; V128-L250 HydrophobicContact CB-CD2 4.15Å; V128-L250 HydrophobicContact CG1-CD2 3.58Å; V128-L250 HydrophobicContact CG1-CG 3.92Å
129	R	90.1	Very high	82.7	Confident	150 Å²	150	68.9 Å²	68.9	57%	0.566	37%	0.371	S	S	*	.	H	α-helix	trans	-64.1	-36	175.3	-73.8	170.7	-179.2	177.1	1.4	112.4	L125 E126 D127 W131 G132 L250	L125-R129 VanDerWaalsContact O-CG 3.29Å; L125-R129 WeakPolarHBondContact O-CG 3.49Å; L125-R129 PolarHBondContact O-N 3Å; L125-R129 VanDerWaalsContact O-N 3.13Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.94Å; E126-R129 VanDerWaalsContact O-N 3.14Å; D127-R129 VanDerWaalsContact C-N 3.27Å; D127-R129 PolarHBondContact O-N 3.43Å; R129-W131 VanDerWaalsContact C-N 3.25Å; R129-W131 PolarHBondContact O-N 3.28Å; R129-G132 PolarHBondContact O-N 3.37Å; R129-L250 HydrophobicContact CG-CD2 3.82Å
130	T	92.6	Very high	85.2	Confident	40 Å²	40	66.9 Å²	66.9	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-31.9	177.2	72.2	0	0	0	0	112.2	E126 D127 V128 G132 Q133 K137	E126-T130 WeakPolarHBondContact O-CG2 3.29Å; E126-T130 PolarHBondContact O-N 3.08Å; D127-T130 WeakPolarHBondContact O-CB 3.42Å; D127-T130 PolarHBondContact O-N 2.67Å; D127-T130 PolarHBondContact O-OG1 3.46Å; V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 3.49Å; T130-G132 PolarHBondContact O-N 3.45Å; T130-Q133 WeakPolarHBondContact O-CB 3.45Å; T130-Q133 PolarHBondContact O-N 2.91Å; T130-K137 WeakPolarHBondContact O-CB 3.08Å; T130-K137 WeakPolarHBondContact O-CD 3.45Å
131	W	93.7	Very high	87.3	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-26.6	177.8	-56.9	-9.9	0	0	0	113	P123 D127 V128 R129 Q133 L138 A143 G144 Y237 Y246 L249	P123-W131 HydrophobicContact CB-CH2 3.63Å; P123-W131 HydrophobicContact CB-CZ2 3.67Å; P123-W131 HydrophobicContact CG-CH2 3.79Å; P123-W131 HydrophobicContact CG-CZ2 4.34Å; D127-W131 PolarHBondContact O-N 2.85Å; D127-W131 PolarHBondContact O-NE1 3.27Å; V128-W131 HydrophobicContact CB-CE3 4.47Å; V128-W131 HydrophobicContact CG1-CE3 4.28Å; V128-W131 HydrophobicContact CG2-CE3 4.4Å; V128-W131 HydrophobicContact CG2-CH2 4.2Å; V128-W131 HydrophobicContact CG2-CZ3 4.09Å; V128-W131 WeakPolarHBondContact O-CB 3.36Å; V128-W131 PolarHBondContact O-N 3.21Å; R129-W131 VanDerWaalsContact C-N 3.25Å; R129-W131 PolarHBondContact O-N 3.28Å; W131-Q133 VanDerWaalsContact C-N 3.33Å; W131-L138 HydrophobicContact CB-CB 4.06Å; W131-L138 HydrophobicContact CB-CD1 3.71Å; W131-L138 HydrophobicContact CB-CG 4.49Å; W131-L138 HydrophobicContact CD2-CD1 3.79Å; W131-L138 HydrophobicContact CE3-CD1 3.84Å; W131-L138 HydrophobicContact CG-CB 4.4Å; W131-L138 HydrophobicContact CG-CD1 3.74Å; W131-A143 HydrophobicContact CH2-CB 4.01Å; W131-A143 HydrophobicContact CZ2-CB 3.9Å; W131-G144 VanDerWaalsContact CZ2-CA 3.45Å; W131-Y237 WeakPolarHBondContact O-CE2 3.38Å; W131-Y237 PolarHBondContact O-OH 3.1Å; W131-Y246 HydrophobicContact CB-CE2 4.3Å; W131-L249 HydrophobicContact CZ3-CD1 3.97Å
132	G	92.8	Very high	88.9	Confident	29 Å²	29	61.5 Å²	61.5	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.2	174.3	0	0	0	0	0	114.7	R129 T130 Y246	R129-G132 PolarHBondContact O-N 3.37Å; T130-G132 PolarHBondContact O-N 3.45Å; G132-Y246 WeakPolarHBondContact CA-OH 3.2Å; G132-Y246 PolarHBondContact N-OH 2.93Å
133	Q	93.3	Very high	90.1	Very high	126 Å²	126	55.1 Å²	55.1	59%	0.589	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-38.2	-177.2	-63	173.9	10.7	0	0	112.1	T130 W131 K137	T130-Q133 WeakPolarHBondContact O-CB 3.45Å; T130-Q133 PolarHBondContact O-N 2.91Å; W131-Q133 VanDerWaalsContact C-N 3.33Å; Q133-K137 HydrophobicContact CB-CD 4.2Å
134	S	95.2	Very high	90.9	Very high	33 Å²	33	53 Å²	53	23%	0.231	29%	0.286	C	S	.	.			trans	-156.2	151.8	173.7	72.9	0	0	0	0	111.7	D136 K137 L138 Y237	S134-D136 PolarHBondContact O-N 3.13Å; S134-K137 PolarHBondContact O-N 3.36Å; S134-K137 WeakPolarHBondContact OG-CG 3.28Å; S134-K137 PolarHBondContact OG-N 3.19Å; S134-L138 PolarHBondContact O-N 3.42Å; S134-Y237 VanDerWaalsContact C-OH 3.24Å
135	F	96.7	Very high	91.6	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-35.2	175.8	-172.2	-123.6	0	0	0	111.7	K137 L138 M139 F148 Y229 M232 Q233 Y237	F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.31Å; F135-L138 HydrophobicContact CD2-CD2 3.95Å; F135-L138 HydrophobicContact CE2-CD2 4.04Å; F135-L138 WeakPolarHBondContact O-CB 3.42Å; F135-L138 PolarHBondContact O-N 3.34Å; F135-M139 HydrophobicContact CD1-CG 4.01Å; F135-M139 HydrophobicContact CD2-CG 4.05Å; F135-M139 HydrophobicContact CE1-CG 3.71Å; F135-M139 HydrophobicContact CE1-SD 4.25Å; F135-M139 HydrophobicContact CE2-CG 3.75Å; F135-M139 HydrophobicContact CE2-SD 3.89Å; F135-M139 HydrophobicContact CG-CG 4.18Å; F135-M139 HydrophobicContact CZ-CE 4.26Å; F135-M139 HydrophobicContact CZ-CG 3.56Å; F135-M139 HydrophobicContact CZ-SD 3.6Å; F135-M139 WeakPolarHBondContact O-CB 3.3Å; F135-M139 VanDerWaalsContact O-CG 3.28Å; F135-M139 WeakPolarHBondContact O-CG 3.29Å; F135-M139 PolarHBondContact O-N 3.11Å; F135-F148 HydrophobicContact CE2-CD1 4.11Å; F135-F148 AromaticContact CE2-CE1 3.6Å; F135-F148 HydrophobicContact CE2-CE1 3.6Å; F135-F148 AromaticContact CE2-CZ 3.87Å; F135-F148 HydrophobicContact CE2-CZ 3.87Å; F135-F148 AromaticContact CZ-CE1 3.89Å; F135-F148 HydrophobicContact CZ-CE1 3.89Å; F135-F148 HydrophobicContact CZ-CZ 4.39Å; F135-Y229 HydrophobicContact CD1-CD1 4.28Å; F135-Y229 HydrophobicContact CD1-CD2 4.29Å; F135-Y229 AromaticContact CD1-CE1 3.66Å; F135-Y229 HydrophobicContact CD1-CE1 3.66Å; F135-Y229 AromaticContact CD1-CE2 3.68Å; F135-Y229 HydrophobicContact CD1-CE2 3.68Å; F135-Y229 AromaticContact CD1-CZ 3.31Å; F135-Y229 WeakPolarHBondContact CD1-OH 3.34Å; F135-Y229 HydrophobicContact CE1-CD1 4.19Å; F135-Y229 AromaticContact CE1-CD2 3.66Å; F135-Y229 HydrophobicContact CE1-CD2 3.66Å; F135-Y229 AromaticContact CE1-CE1 3.96Å; F135-Y229 HydrophobicContact CE1-CE1 3.96Å; F135-Y229 AromaticContact CE1-CE2 3.4Å; F135-Y229 HydrophobicContact CE1-CE2 3.4Å; F135-Y229 HydrophobicContact CE1-CG 4.05Å; F135-Y229 AromaticContact CE1-CZ 3.56Å; F135-Y229 HydrophobicContact CZ-CE2 4.42Å; F135-M232 HydrophobicContact CE1-CB 4.31Å; F135-M232 HydrophobicContact CZ-CB 3.75Å; F135-M232 HydrophobicContact CZ-CE 4.37Å; F135-Q233 HydrophobicContact CB-CB 4.39Å; F135-Q233 HydrophobicContact CB-CG 3.77Å; F135-Q233 HydrophobicContact CD1-CB 3.49Å; F135-Q233 VanDerWaalsContact CD1-CB 3.49Å; F135-Q233 HydrophobicContact CD1-CG 3.77Å; F135-Q233 HydrophobicContact CE1-CB 3.89Å; F135-Q233 HydrophobicContact CG-CB 4Å; F135-Q233 HydrophobicContact CG-CG 3.95Å; F135-Y237 HydrophobicContact CB-CD1 3.94Å; F135-Y237 HydrophobicContact CB-CD2 4.5Å; F135-Y237 HydrophobicContact CB-CE1 3.95Å; F135-Y237 HydrophobicContact CB-CE2 4.48Å; F135-Y237 HydrophobicContact CB-CG 4.21Å; F135-Y237 HydrophobicContact CD2-CD1 4.1Å; F135-Y237 AromaticContact CD2-CD2 3.5Å; F135-Y237 HydrophobicContact CD2-CD2 3.5Å; F135-Y237 HydrophobicContact CD2-CE2 4.08Å; F135-Y237 AromaticContact CD2-CG 3.49Å; F135-Y237 HydrophobicContact CD2-CG 3.49Å; F135-Y237 VanDerWaalsContact CD2-CG 3.49Å; F135-Y237 HydrophobicContact CE2-CD2 4.21Å; F135-Y237 HydrophobicContact CE2-CG 4.22Å; F135-Y237 HydrophobicContact CG-CD1 4.35Å; F135-Y237 HydrophobicContact CG-CD2 4.44Å; F135-Y237 HydrophobicContact CG-CG 4.18Å
136	D	95.8	Very high	92.1	Very high	90 Å²	90	53.2 Å²	53.2	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-38.8	176.8	-47.6	-64.5	0	0	0	111.9	S134 M139 C140 Y229	S134-D136 PolarHBondContact O-N 3.13Å; D136-M139 PolarHBondContact O-N 3.36Å; D136-C140 VanDerWaalsContact O-CB 3.28Å; D136-C140 WeakPolarHBondContact O-CB 3.27Å; D136-C140 PolarHBondContact O-N 3.17Å; D136-Y229 WeakPolarHBondContact CA-OH 3.41Å; D136-Y229 PolarHBondContact OD1-OH 2.64Å
137	K	93.9	Very high	92.7	Very high	90 Å²	90	47 Å²	47	39%	0.391	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-40.1	177.2	-74	179	177.7	-159.8	0	112	T130 Q133 S134 F135	T130-K137 WeakPolarHBondContact O-CB 3.08Å; T130-K137 WeakPolarHBondContact O-CD 3.45Å; Q133-K137 HydrophobicContact CB-CD 4.2Å; S134-K137 PolarHBondContact O-N 3.36Å; S134-K137 WeakPolarHBondContact OG-CG 3.28Å; S134-K137 PolarHBondContact OG-N 3.19Å; F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.31Å
138	L	94.8	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.6	173.2	176.3	72	0	0	0	111.2	W131 S134 F135 C141 G144 R145 F148 Y237 Y240	W131-L138 HydrophobicContact CB-CB 4.06Å; W131-L138 HydrophobicContact CB-CD1 3.71Å; W131-L138 HydrophobicContact CB-CG 4.49Å; W131-L138 HydrophobicContact CD2-CD1 3.79Å; W131-L138 HydrophobicContact CE3-CD1 3.84Å; W131-L138 HydrophobicContact CG-CB 4.4Å; W131-L138 HydrophobicContact CG-CD1 3.74Å; S134-L138 PolarHBondContact O-N 3.42Å; F135-L138 HydrophobicContact CD2-CD2 3.95Å; F135-L138 HydrophobicContact CE2-CD2 4.04Å; F135-L138 WeakPolarHBondContact O-CB 3.42Å; F135-L138 PolarHBondContact O-N 3.34Å; L138-C141 PolarHBondContact O-N 3.32Å; L138-G144 WeakPolarHBondContact CD1-O 3.49Å; L138-R145 PolarHBondContact O-N 2.92Å; L138-F148 HydrophobicContact CD1-CB 4.4Å; L138-F148 HydrophobicContact CD2-CB 3.93Å; L138-F148 HydrophobicContact CD2-CD1 4.36Å; L138-F148 HydrophobicContact CD2-CD2 4.03Å; L138-F148 HydrophobicContact CD2-CG 3.86Å; L138-F148 HydrophobicContact CG-CB 4.39Å; L138-Y237 HydrophobicContact CB-CE2 4.42Å; L138-Y237 HydrophobicContact CD2-CD2 3.61Å; L138-Y237 HydrophobicContact CD2-CE2 3.72Å; L138-Y240 HydrophobicContact CD1-CE1 3.91Å; L138-Y240 HydrophobicContact CD2-CD1 4.15Å; L138-Y240 HydrophobicContact CD2-CE1 4.05Å
139	M	95.1	Very high	93.7	Very high	7 Å²	7	47 Å²	47	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-76.2	-27.7	-174.8	-68.7	-65.8	-72.4	0	0	113.4	F135 D136 C141 R145 F148 M161 W164 Y229 M232	F135-M139 HydrophobicContact CD1-CG 4.01Å; F135-M139 HydrophobicContact CD2-CG 4.05Å; F135-M139 HydrophobicContact CE1-CG 3.71Å; F135-M139 HydrophobicContact CE1-SD 4.25Å; F135-M139 HydrophobicContact CE2-CG 3.75Å; F135-M139 HydrophobicContact CE2-SD 3.89Å; F135-M139 HydrophobicContact CG-CG 4.18Å; F135-M139 HydrophobicContact CZ-CE 4.26Å; F135-M139 HydrophobicContact CZ-CG 3.56Å; F135-M139 HydrophobicContact CZ-SD 3.6Å; F135-M139 WeakPolarHBondContact O-CB 3.3Å; F135-M139 VanDerWaalsContact O-CG 3.28Å; F135-M139 WeakPolarHBondContact O-CG 3.29Å; F135-M139 PolarHBondContact O-N 3.11Å; D136-M139 PolarHBondContact O-N 3.36Å; M139-C141 VanDerWaalsContact C-N 3.32Å; M139-R145 WeakPolarHBondContact O-CD 3.25Å; M139-R145 VanDerWaalsContact O-CG 3.28Å; M139-R145 WeakPolarHBondContact O-CG 3.35Å; M139-R145 PolarHBondContact O-NE 3.4Å; M139-R145 HydrophobicContact SD-CG 4.25Å; M139-F148 HydrophobicContact SD-CD1 4.42Å; M139-M161 HydrophobicContact CE-CE 3.83Å; M139-M161 HydrophobicContact CE-SD 3.69Å; M139-M161 HydrophobicContact SD-CE 4.01Å; M139-M161 HydrophobicContact SD-SD 3.95Å; M139-W164 HydrophobicContact CE-CD2 3.5Å; M139-W164 HydrophobicContact CE-CE3 3.42Å; M139-W164 VanDerWaalsContact CE-CE3 3.42Å; M139-W164 HydrophobicContact CE-CG 4.21Å; M139-W164 HydrophobicContact CE-CH2 3.81Å; M139-W164 HydrophobicContact CE-CZ2 3.88Å; M139-W164 HydrophobicContact CE-CZ3 3.57Å; M139-Y229 HydrophobicContact CB-CE2 4.21Å; M139-Y229 HydrophobicContact CE-CD2 4.24Å; M139-Y229 HydrophobicContact CE-CE2 4.14Å; M139-Y229 HydrophobicContact CG-CE2 3.87Å; M139-M232 HydrophobicContact CE-CE 4.3Å
140	C	91.9	Very high	93.9	Very high	105 Å²	105	46.1 Å²	46.1	71%	0.709	25%	0.25	S	S	*	.	H	α-helix	trans	-66.3	-34.8	173.9	-171.7	0	0	0	0	112	D136	D136-C140 VanDerWaalsContact O-CB 3.28Å; D136-C140 WeakPolarHBondContact O-CB 3.27Å; D136-C140 PolarHBondContact O-N 3.17Å
141	C	90.1	Very high	94.1	Very high	34 Å²	34	44.7 Å²	44.7	23%	0.23	24%	0.241	C	C	.	.	S	Bend	trans	-85.7	126.4	-177.2	-174.4	0	0	0	0	112.1	L138 M139 A143 G144 R145	L138-C141 PolarHBondContact O-N 3.32Å; M139-C141 VanDerWaalsContact C-N 3.32Å; C141-A143 VanDerWaalsContact C-N 3.33Å; C141-A143 PolarHBondContact O-N 3.21Å; C141-G144 PolarHBondContact O-N 3.48Å; C141-R145 WeakPolarHBondContact O-CG 3.26Å; C141-R145 PolarHBondContact O-N 2.56Å
142	P	91.1	Very high	94.3	Very high	36 Å²	36	44.6 Å²	44.6	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-40.5	173.2	-22.1	30.8	0	0	0	113.7	G144 R145 N146	P142-G144 VanDerWaalsContact C-N 3.35Å; P142-R145 PolarHBondContact O-N 3.37Å; P142-N146 WeakPolarHBondContact O-CB 3.15Å; P142-N146 PolarHBondContact O-N 2.91Å; P142-N146 PolarHBondContact O-ND2 3.11Å
143	A	90.6	Very high	94.5	Very high	19 Å²	19	49 Å²	49	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-38.9	176.6	0	0	0	0	0	111.8	P123 W131 C141 N146 S147	P123-A143 HydrophobicContact CB-CB 4.07Å; P123-A143 HydrophobicContact CG-CB 4.22Å; W131-A143 HydrophobicContact CH2-CB 4.01Å; W131-A143 HydrophobicContact CZ2-CB 3.9Å; C141-A143 VanDerWaalsContact C-N 3.33Å; C141-A143 PolarHBondContact O-N 3.21Å; A143-N146 PolarHBondContact O-N 3.28Å; A143-S147 WeakPolarHBondContact O-CB 3.41Å; A143-S147 PolarHBondContact O-N 3.32Å
144	G	92.5	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-50.8	174.5	0	0	0	0	0	111.9	W131 L138 C141 P142 N146 S147 F148	W131-G144 VanDerWaalsContact CZ2-CA 3.45Å; L138-G144 WeakPolarHBondContact CD1-O 3.49Å; C141-G144 PolarHBondContact O-N 3.48Å; P142-G144 VanDerWaalsContact C-N 3.35Å; G144-N146 VanDerWaalsContact C-N 3.3Å; G144-N146 PolarHBondContact O-N 3.02Å; G144-S147 PolarHBondContact O-N 3.42Å; G144-F148 WeakPolarHBondContact O-CB 3.36Å; G144-F148 PolarHBondContact O-N 3.36Å
145	R	95.5	Very high	94.6	Very high	62 Å²	62	47.9 Å²	47.9	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-53.1	-44.9	173.1	-75	-171.6	-76	165.9	-3.4	112.7	L138 M139 C141 P142 R149 M161	L138-R145 PolarHBondContact O-N 2.92Å; M139-R145 WeakPolarHBondContact O-CD 3.25Å; M139-R145 VanDerWaalsContact O-CG 3.28Å; M139-R145 WeakPolarHBondContact O-CG 3.35Å; M139-R145 PolarHBondContact O-NE 3.4Å; M139-R145 HydrophobicContact SD-CG 4.25Å; C141-R145 WeakPolarHBondContact O-CG 3.26Å; C141-R145 PolarHBondContact O-N 2.56Å; P142-R145 PolarHBondContact O-N 3.37Å; R145-R149 VanDerWaalsContact O-CB 3.29Å; R145-R149 WeakPolarHBondContact O-CB 3.49Å; R145-R149 PolarHBondContact O-N 3.06Å; R145-M161 HydrophobicContact CB-CE 3.51Å; R145-M161 HydrophobicContact CG-CE 3.41Å; R145-M161 VanDerWaalsContact CG-CE 3.41Å
146	N	94	Very high	94.4	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-44.6	178.5	-82.3	-34.9	0	0	0	112.6	P142 A143 G144 R149 Q150	P142-N146 WeakPolarHBondContact O-CB 3.15Å; P142-N146 PolarHBondContact O-N 2.91Å; P142-N146 PolarHBondContact O-ND2 3.11Å; A143-N146 PolarHBondContact O-N 3.28Å; G144-N146 VanDerWaalsContact C-N 3.3Å; G144-N146 PolarHBondContact O-N 3.02Å; N146-R149 PolarHBondContact O-N 2.77Å; N146-R149 PolarHBondContact OD1-NH2 3.49Å; N146-Q150 PolarHBondContact O-N 2.97Å
147	S	94.4	Very high	94.5	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-45.9	176.1	-178.4	0	0	0	0	111.6	A143 G144 Q150 F151 Y240 L249	A143-S147 WeakPolarHBondContact O-CB 3.41Å; A143-S147 PolarHBondContact O-N 3.32Å; G144-S147 PolarHBondContact O-N 3.42Å; S147-Q150 WeakPolarHBondContact O-CB 3.47Å; S147-Q150 PolarHBondContact O-N 2.99Å; S147-F151 PolarHBondContact O-N 3.34Å; S147-F151 VanDerWaalsContact O-N 3.13Å; S147-Y240 WeakPolarHBondContact CB-OH 3.39Å; S147-Y240 PolarHBondContact OG-OH 3Å; S147-L249 VanDerWaalsContact OG-CD1 3.27Å; S147-L249 WeakPolarHBondContact OG-CD1 3.47Å
148	F	96.8	Very high	94.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-43.3	178.1	-173.6	-125.3	0	0	0	112.2	F135 L138 M139 G144 Q150 F151 L152 M161 M232 Y240	F135-F148 HydrophobicContact CE2-CD1 4.11Å; F135-F148 AromaticContact CE2-CE1 3.6Å; F135-F148 HydrophobicContact CE2-CE1 3.6Å; F135-F148 AromaticContact CE2-CZ 3.87Å; F135-F148 HydrophobicContact CE2-CZ 3.87Å; F135-F148 AromaticContact CZ-CE1 3.89Å; F135-F148 HydrophobicContact CZ-CE1 3.89Å; F135-F148 HydrophobicContact CZ-CZ 4.39Å; L138-F148 HydrophobicContact CD1-CB 4.4Å; L138-F148 HydrophobicContact CD2-CB 3.93Å; L138-F148 HydrophobicContact CD2-CD1 4.36Å; L138-F148 HydrophobicContact CD2-CD2 4.03Å; L138-F148 HydrophobicContact CD2-CG 3.86Å; L138-F148 HydrophobicContact CG-CB 4.39Å; M139-F148 HydrophobicContact SD-CD1 4.42Å; G144-F148 WeakPolarHBondContact O-CB 3.36Å; G144-F148 PolarHBondContact O-N 3.36Å; F148-Q150 VanDerWaalsContact C-N 3.29Å; F148-Q150 PolarHBondContact O-N 2.84Å; F148-F151 HydrophobicContact CD2-CD1 4.25Å; F148-F151 HydrophobicContact CE2-CD1 4.14Å; F148-F151 WeakPolarHBondContact O-CA 3.48Å; F148-F151 WeakPolarHBondContact O-CB 3.09Å; F148-F151 PolarHBondContact O-N 3.42Å; F148-F151 VanDerWaalsContact O-N 3.08Å; F148-L152 HydrophobicContact CD1-CD1 3.92Å; F148-L152 HydrophobicContact CD1-CG 4.39Å; F148-L152 HydrophobicContact CE1-CD1 3.69Å; F148-L152 HydrophobicContact CE1-CD2 4.33Å; F148-L152 HydrophobicContact CE1-CG 4.16Å; F148-L152 HydrophobicContact CE2-CD2 4.25Å; F148-L152 HydrophobicContact CE2-CG 4.38Å; F148-L152 HydrophobicContact CZ-CD1 4.15Å; F148-L152 HydrophobicContact CZ-CD2 3.93Å; F148-L152 HydrophobicContact CZ-CG 4.16Å; F148-L152 WeakPolarHBondContact O-CG 3.06Å; F148-L152 PolarHBondContact O-N 2.82Å; F148-M161 HydrophobicContact CD1-SD 4.5Å; F148-M232 HydrophobicContact CE1-CB 4.09Å; F148-M232 HydrophobicContact CE1-CG 4.37Å; F148-M232 HydrophobicContact CE1-SD 3.9Å; F148-M232 HydrophobicContact CZ-CB 4.18Å; F148-Y240 AromaticContact CD2-CD1 3.95Å; F148-Y240 HydrophobicContact CD2-CD1 3.95Å; F148-Y240 AromaticContact CD2-CD2 3.96Å; F148-Y240 HydrophobicContact CD2-CD2 3.96Å; F148-Y240 AromaticContact CD2-CG 3.6Å; F148-Y240 HydrophobicContact CD2-CG 3.6Å; F148-Y240 HydrophobicContact CE2-CG 4.11Å
149	R	96.8	Very high	94.8	Very high	65 Å²	65	48.3 Å²	48.3	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-40.9	174.2	-172.6	179.7	64.8	177.4	-2.9	112	R145 N146 F151 L152 R153 M161	R145-R149 VanDerWaalsContact O-CB 3.29Å; R145-R149 WeakPolarHBondContact O-CB 3.49Å; R145-R149 PolarHBondContact O-N 3.06Å; N146-R149 PolarHBondContact O-N 2.77Å; N146-R149 PolarHBondContact OD1-NH2 3.49Å; R149-F151 VanDerWaalsContact C-N 3.29Å; R149-F151 PolarHBondContact O-N 3.28Å; R149-L152 PolarHBondContact O-N 3.12Å; R149-R153 PolarHBondContact O-N 3Å; R149-M161 HydrophobicContact CB-CG 4.1Å; R149-M161 HydrophobicContact CG-CB 4.49Å; R149-M161 HydrophobicContact CG-CG 4.28Å
150	Q	95.4	Very high	95	Very high	132 Å²	132	48.4 Å²	48.4	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-63	-38.5	176.5	-173.3	174.4	13.8	0	0	111.7	N146 S147 F148 R153 T154	N146-Q150 PolarHBondContact O-N 2.97Å; S147-Q150 WeakPolarHBondContact O-CB 3.47Å; S147-Q150 PolarHBondContact O-N 2.99Å; F148-Q150 VanDerWaalsContact C-N 3.29Å; F148-Q150 PolarHBondContact O-N 2.84Å; Q150-R153 WeakPolarHBondContact O-CB 3.48Å; Q150-R153 PolarHBondContact O-N 3.1Å; Q150-T154 PolarHBondContact O-N 3.19Å
151	F	96.9	Very high	95.2	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-46.9	172	167.4	-97	0	0	0	112.1	S147 F148 R149 R153 T154 E155 S236 R239 Y240	S147-F151 PolarHBondContact O-N 3.34Å; S147-F151 VanDerWaalsContact O-N 3.13Å; F148-F151 HydrophobicContact CD2-CD1 4.25Å; F148-F151 HydrophobicContact CE2-CD1 4.14Å; F148-F151 WeakPolarHBondContact O-CA 3.48Å; F148-F151 WeakPolarHBondContact O-CB 3.09Å; F148-F151 PolarHBondContact O-N 3.42Å; F148-F151 VanDerWaalsContact O-N 3.08Å; R149-F151 VanDerWaalsContact C-N 3.29Å; R149-F151 PolarHBondContact O-N 3.28Å; F151-R153 PolarHBondContact O-N 3.46Å; F151-T154 WeakPolarHBondContact O-CA 3.39Å; F151-T154 WeakPolarHBondContact O-CB 3.43Å; F151-T154 PolarHBondContact O-N 3.4Å; F151-T154 PolarHBondContact O-OG1 3.3Å; F151-E155 HydrophobicContact CE1-CG 4.29Å; F151-E155 HydrophobicContact CE2-CG 4.26Å; F151-E155 HydrophobicContact CZ-CG 3.96Å; F151-E155 WeakPolarHBondContact CZ-OE1 3.44Å; F151-E155 PolarHBondContact O-N 3.26Å; F151-S236 WeakPolarHBondContact CE1-O 3.08Å; F151-R239 HydrophobicContact CE1-CB 4.39Å; F151-R239 HydrophobicContact CZ-CB 3.73Å; F151-Y240 HydrophobicContact CB-CD2 3.55Å; F151-Y240 HydrophobicContact CB-CE2 4.13Å; F151-Y240 HydrophobicContact CD1-CD2 4.01Å; F151-Y240 HydrophobicContact CD1-CG 4.27Å; F151-Y240 HydrophobicContact CD2-CD2 4.24Å; F151-Y240 AromaticContact CG-CD2 3.66Å; F151-Y240 HydrophobicContact CG-CD2 3.66Å; F151-Y240 HydrophobicContact CG-CG 4.34Å
152	L	97.3	Very high	95.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-32.6	177.7	-66.7	174.9	0	0	0	112.9	F148 R149 T154 E155 F156 S157 E158 M161 M232 S236	F148-L152 HydrophobicContact CD1-CD1 3.92Å; F148-L152 HydrophobicContact CD1-CG 4.39Å; F148-L152 HydrophobicContact CE1-CD1 3.69Å; F148-L152 HydrophobicContact CE1-CD2 4.33Å; F148-L152 HydrophobicContact CE1-CG 4.16Å; F148-L152 HydrophobicContact CE2-CD2 4.25Å; F148-L152 HydrophobicContact CE2-CG 4.38Å; F148-L152 HydrophobicContact CZ-CD1 4.15Å; F148-L152 HydrophobicContact CZ-CD2 3.93Å; F148-L152 HydrophobicContact CZ-CG 4.16Å; F148-L152 WeakPolarHBondContact O-CG 3.06Å; F148-L152 PolarHBondContact O-N 2.82Å; R149-L152 PolarHBondContact O-N 3.12Å; L152-T154 VanDerWaalsContact C-N 3.31Å; L152-T154 PolarHBondContact O-N 3.4Å; L152-E155 CarbonylContact O-C 3.57Å; L152-E155 VanDerWaalsContact O-C 3.28Å; L152-E155 PolarHBondContact O-N 2.84Å; L152-E155 VanDerWaalsContact O-N 3.13Å; L152-F156 PolarHBondContact O-N 3.35Å; L152-S157 WeakPolarHBondContact CD2-OG 3.44Å; L152-S157 PolarHBondContact O-N 2.83Å; L152-S157 PolarHBondContact O-OG 3.07Å; L152-E158 HydrophobicContact CB-CB 4.31Å; L152-M161 HydrophobicContact CD1-CB 3.64Å; L152-M232 HydrophobicContact CD1-SD 3.96Å; L152-S236 VanDerWaalsContact CD2-CB 3.45Å
153	R	95.9	Very high	96	Very high	122 Å²	122	41.9 Å²	41.9	46%	0.46	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-41.4	171.1	-78	176.5	175.4	159.7	2.3	112.6	R149 Q150 F151 E155 F156 E158	R149-R153 PolarHBondContact O-N 3Å; Q150-R153 WeakPolarHBondContact O-CB 3.48Å; Q150-R153 PolarHBondContact O-N 3.1Å; F151-R153 PolarHBondContact O-N 3.46Å; R153-E155 PolarHBondContact O-N 3.23Å; R153-F156 PolarHBondContact O-N 3.09Å; R153-E158 WeakPolarHBondContact CD-OE2 3.44Å; R153-E158 HydrophobicContact CG-CB 3.8Å; R153-E158 HydrophobicContact CG-CG 4.1Å; R153-E158 WeakPolarHBondContact CG-OE2 3.27Å; R153-E158 IonicContact CZ-OE2 3.46Å; R153-E158 IonicContact NE-OE2 2.77Å; R153-E158 PolarHBondContact NE-OE2 3.05Å; R153-E158 IonicContact NH2-OE2 3.73Å; R153-E158 PolarHBondContact NH2-OE2 3.05Å
154	T	95.3	Very high	96.3	Very high	98 Å²	98	42.1 Å²	42.1	60%	0.601	20%	0.198	S	C	*	.	H	α-helix	trans	-67.4	-25	177.8	70.6	0	0	0	0	112.3	Q150 F151 L152	Q150-T154 PolarHBondContact O-N 3.19Å; F151-T154 WeakPolarHBondContact O-CA 3.39Å; F151-T154 WeakPolarHBondContact O-CB 3.43Å; F151-T154 PolarHBondContact O-N 3.4Å; F151-T154 PolarHBondContact O-OG1 3.3Å; L152-T154 VanDerWaalsContact C-N 3.31Å; L152-T154 PolarHBondContact O-N 3.4Å
155	E	95.2	Very high	96.6	Very high	38 Å²	38	44.4 Å²	44.4	18%	0.178	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	14.7	175.1	-61.5	-161.8	158.7	0	0	113.1	M46 F151 L152 R153 S157 R239	M46-E155 HydrophobicContact CE-CB 4.37Å; M46-E155 WeakPolarHBondContact CE-O 3.47Å; F151-E155 HydrophobicContact CE1-CG 4.29Å; F151-E155 HydrophobicContact CE2-CG 4.26Å; F151-E155 HydrophobicContact CZ-CG 3.96Å; F151-E155 WeakPolarHBondContact CZ-OE1 3.44Å; F151-E155 PolarHBondContact O-N 3.26Å; L152-E155 CarbonylContact O-C 3.57Å; L152-E155 VanDerWaalsContact O-C 3.28Å; L152-E155 PolarHBondContact O-N 2.84Å; L152-E155 VanDerWaalsContact O-N 3.13Å; R153-E155 PolarHBondContact O-N 3.23Å; E155-S157 PolarHBondContact O-N 3.41Å; E155-S157 VanDerWaalsContact O-N 3.07Å; E155-S157 PolarHBondContact O-OG 2.99Å; E155-R239 IonicContact OE1-NE 3.74Å; E155-R239 PolarHBondContact OE1-NE 3.1Å; E155-R239 IonicContact OE2-CZ 2.78Å; E155-R239 IonicContact OE2-NE 3.78Å; E155-R239 PolarHBondContact OE2-NE 3.12Å; E155-R239 IonicContact OE2-NH2 2.79Å; E155-R239 PolarHBondContact OE2-NH2 3.24Å
156	F	93.6	Very high	96.7	Very high	90 Å²	90	42.5 Å²	42.5	40%	0.395	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	37.8	178.8	-54.2	-88.6	0	0	0	114.2	M46 M53 L152 R153	M46-F156 HydrophobicContact CE-CD2 4.23Å; M53-F156 HydrophobicContact SD-CD1 4.22Å; M53-F156 HydrophobicContact SD-CE1 4.47Å; L152-F156 PolarHBondContact O-N 3.35Å; R153-F156 PolarHBondContact O-N 3.09Å
157	S	97.3	Very high	96.9	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.112	19%	0.188	C	C	.	.			trans	-132.3	21.8	-176.2	53.6	0	0	0	0	112.3	L152 E155 E159 N160	L152-S157 WeakPolarHBondContact CD2-OG 3.44Å; L152-S157 PolarHBondContact O-N 2.83Å; L152-S157 PolarHBondContact O-OG 3.07Å; E155-S157 PolarHBondContact O-N 3.41Å; E155-S157 VanDerWaalsContact O-N 3.07Å; E155-S157 PolarHBondContact O-OG 2.99Å; S157-E159 WeakPolarHBondContact CA-OE2 3.49Å; S157-E159 PolarHBondContact O-N 3.39Å; S157-N160 PolarHBondContact O-N 3.49Å; S157-N160 PolarHBondContact O-ND2 2.92Å
158	E	97.4	Very high	97	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-66.2	-22.9	-178	69	165.4	162.8	0	0	113.5	L152 R153 N160 M161 L162	L152-E158 HydrophobicContact CB-CB 4.31Å; R153-E158 WeakPolarHBondContact CD-OE2 3.44Å; R153-E158 HydrophobicContact CG-CB 3.8Å; R153-E158 HydrophobicContact CG-CG 4.1Å; R153-E158 WeakPolarHBondContact CG-OE2 3.27Å; R153-E158 IonicContact CZ-OE2 3.46Å; R153-E158 IonicContact NE-OE2 2.77Å; R153-E158 PolarHBondContact NE-OE2 3.05Å; R153-E158 IonicContact NH2-OE2 3.73Å; R153-E158 PolarHBondContact NH2-OE2 3.05Å; E158-N160 PolarHBondContact O-N 2.9Å; E158-M161 PolarHBondContact O-N 3.27Å; E158-M161 VanDerWaalsContact O-N 3.09Å; E158-L162 HydrophobicContact CG-CD1 4.43Å; E158-L162 WeakPolarHBondContact O-CG 3.41Å; E158-L162 PolarHBondContact O-N 3.31Å; E158-L162 VanDerWaalsContact O-N 3.1Å
159	E	98.1	Very high	96.9	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-31.1	179.3	70.2	-83.9	-160.6	0	0	112.1	R49 S157 M161 L162 F163 K197 V199	R49-E159 IonicContact CZ-OE1 3.83Å; R49-E159 IonicContact NH1-OE1 2.78Å; R49-E159 PolarHBondContact NH1-OE1 3.5Å; S157-E159 WeakPolarHBondContact CA-OE2 3.49Å; S157-E159 PolarHBondContact O-N 3.39Å; E159-M161 VanDerWaalsContact C-N 3.34Å; E159-M161 PolarHBondContact O-N 3.38Å; E159-L162 PolarHBondContact O-N 2.95Å; E159-F163 VanDerWaalsContact O-CB 3.28Å; E159-F163 WeakPolarHBondContact O-CB 3.24Å; E159-F163 PolarHBondContact O-N 3.48Å; E159-K197 HydrophobicContact CB-CB 4.11Å; E159-V199 HydrophobicContact CB-CG1 4.43Å; E159-V199 HydrophobicContact CG-CG1 4.01Å
160	N	98.1	Very high	96.9	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-43.2	177.9	-67.6	-37.1	0	0	0	111.5	S157 E158 W164 I228 M232	S157-N160 PolarHBondContact O-N 3.49Å; S157-N160 PolarHBondContact O-ND2 2.92Å; E158-N160 PolarHBondContact O-N 2.9Å; N160-W164 WeakPolarHBondContact O-CB 3.28Å; N160-W164 PolarHBondContact O-N 3.46Å; N160-W164 VanDerWaalsContact O-N 3.08Å; N160-I228 HydrophobicContact CB-CG2 3.61Å; N160-I228 WeakPolarHBondContact O-CG2 3.47Å; N160-M232 HydrophobicContact CB-CG 3.81Å; N160-M232 HydrophobicContact CB-SD 3.68Å
161	M	97.9	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-73.1	-38.7	178.6	-174.1	61.4	-168.7	0	0	111.7	M139 R145 F148 R149 L152 E158 E159 W164 L165 M232	M139-M161 HydrophobicContact CE-CE 3.83Å; M139-M161 HydrophobicContact CE-SD 3.69Å; M139-M161 HydrophobicContact SD-CE 4.01Å; M139-M161 HydrophobicContact SD-SD 3.95Å; R145-M161 HydrophobicContact CB-CE 3.51Å; R145-M161 HydrophobicContact CG-CE 3.41Å; R145-M161 VanDerWaalsContact CG-CE 3.41Å; F148-M161 HydrophobicContact CD1-SD 4.5Å; R149-M161 HydrophobicContact CB-CG 4.1Å; R149-M161 HydrophobicContact CG-CB 4.49Å; R149-M161 HydrophobicContact CG-CG 4.28Å; L152-M161 HydrophobicContact CD1-CB 3.64Å; E158-M161 PolarHBondContact O-N 3.27Å; E158-M161 VanDerWaalsContact O-N 3.09Å; E159-M161 VanDerWaalsContact C-N 3.34Å; E159-M161 PolarHBondContact O-N 3.38Å; M161-W164 HydrophobicContact CE-CE3 4.08Å; M161-W164 HydrophobicContact CE-CZ3 4.29Å; M161-W164 PolarHBondContact O-N 3.48Å; M161-W164 HydrophobicContact SD-CE3 4.42Å; M161-L165 HydrophobicContact CE-CD1 4.07Å; M161-L165 HydrophobicContact CE-CD2 4.04Å; M161-L165 HydrophobicContact CE-CG 3.93Å; M161-L165 HydrophobicContact CG-CD1 4.32Å; M161-L165 WeakPolarHBondContact O-CB 3.44Å; M161-L165 VanDerWaalsContact O-CG 3.3Å; M161-L165 WeakPolarHBondContact O-CG 3.47Å; M161-L165 PolarHBondContact O-N 3.06Å; M161-M232 HydrophobicContact CB-SD 4.18Å; M161-M232 HydrophobicContact SD-CE 4.37Å; M161-M232 HydrophobicContact SD-SD 4.41Å
162	L	97.9	Very high	96.6	Very high	36 Å²	36	46.4 Å²	46.4	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-42.5	177.8	-65	178.1	0	0	0	111.8	E158 E159 L165 A166 Y190	E158-L162 HydrophobicContact CG-CD1 4.43Å; E158-L162 WeakPolarHBondContact O-CG 3.41Å; E158-L162 PolarHBondContact O-N 3.31Å; E158-L162 VanDerWaalsContact O-N 3.1Å; E159-L162 PolarHBondContact O-N 2.95Å; L162-L165 PolarHBondContact O-N 3.41Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 2.96Å; L162-Y190 HydrophobicContact CB-CE1 3.9Å; L162-Y190 WeakPolarHBondContact CB-OH 3.34Å
163	F	98.6	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-48.8	173.2	172	-109.8	0	0	0	111.4	E159 L165 A166 C167 I186 Y190 I191 V199 A224 I228	E159-F163 VanDerWaalsContact O-CB 3.28Å; E159-F163 WeakPolarHBondContact O-CB 3.24Å; E159-F163 PolarHBondContact O-N 3.48Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 3.48Å; F163-A166 WeakPolarHBondContact O-CB 3.5Å; F163-A166 PolarHBondContact O-N 3.38Å; F163-A166 VanDerWaalsContact O-N 3.11Å; F163-C167 VanDerWaalsContact CE2-SG 3.53Å; F163-C167 WeakPolarHBondContact CZ-SG 3.43Å; F163-C167 PolarHBondContact O-N 3.2Å; F163-C167 PolarHBondContact O-SG 2.9Å; F163-I186 HydrophobicContact CD2-CG2 4.11Å; F163-I186 HydrophobicContact CE2-CG2 3.76Å; F163-Y190 HydrophobicContact CB-CD1 3.76Å; F163-Y190 HydrophobicContact CB-CD2 4.35Å; F163-Y190 HydrophobicContact CB-CE1 4.23Å; F163-Y190 HydrophobicContact CB-CG 3.82Å; F163-Y190 VanDerWaalsContact CD2-CB 3.43Å; F163-Y190 HydrophobicContact CD2-CD1 4.5Å; F163-Y190 AromaticContact CD2-CD2 3.94Å; F163-Y190 HydrophobicContact CD2-CD2 3.94Å; F163-Y190 AromaticContact CD2-CG 3.71Å; F163-Y190 HydrophobicContact CD2-CG 3.71Å; F163-Y190 HydrophobicContact CG-CG 4.21Å; F163-I191 HydrophobicContact CE2-CD1 3.69Å; F163-I191 HydrophobicContact CZ-CD1 3.98Å; F163-V199 HydrophobicContact CB-CG1 3.72Å; F163-V199 HydrophobicContact CD1-CG1 4.36Å; F163-V199 HydrophobicContact CD1-CG2 4.26Å; F163-V199 HydrophobicContact CE1-CG2 4.46Å; F163-V199 HydrophobicContact CG-CG1 4.04Å; F163-V199 HydrophobicContact CG-CG2 4.31Å; F163-A224 HydrophobicContact CE1-CB 4.13Å; F163-A224 HydrophobicContact CZ-CB 3.8Å; F163-I228 HydrophobicContact CD1-CB 4.01Å; F163-I228 HydrophobicContact CD1-CG1 3.7Å; F163-I228 HydrophobicContact CD1-CG2 4.15Å; F163-I228 HydrophobicContact CE1-CB 4.25Å; F163-I228 HydrophobicContact CE1-CG1 3.78Å
164	W	98.4	Very high	96.3	Very high	24 Å²	24	48.4 Å²	48.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-43.2	179	-176.6	88	0	0	0	112	M139 N160 M161 C167 E168 Q225 Y229 M232	M139-W164 HydrophobicContact CE-CD2 3.5Å; M139-W164 HydrophobicContact CE-CE3 3.42Å; M139-W164 VanDerWaalsContact CE-CE3 3.42Å; M139-W164 HydrophobicContact CE-CG 4.21Å; M139-W164 HydrophobicContact CE-CH2 3.81Å; M139-W164 HydrophobicContact CE-CZ2 3.88Å; M139-W164 HydrophobicContact CE-CZ3 3.57Å; N160-W164 WeakPolarHBondContact O-CB 3.28Å; N160-W164 PolarHBondContact O-N 3.46Å; N160-W164 VanDerWaalsContact O-N 3.08Å; M161-W164 HydrophobicContact CE-CE3 4.08Å; M161-W164 HydrophobicContact CE-CZ3 4.29Å; M161-W164 PolarHBondContact O-N 3.48Å; M161-W164 HydrophobicContact SD-CE3 4.42Å; W164-C167 PolarHBondContact O-N 3.09Å; W164-E168 HydrophobicContact CD2-CG 4.02Å; W164-E168 HydrophobicContact CE3-CG 3.84Å; W164-E168 HydrophobicContact CH2-CG 3.47Å; W164-E168 VanDerWaalsContact CH2-CG 3.47Å; W164-E168 HydrophobicContact CZ2-CG 3.64Å; W164-E168 HydrophobicContact CZ3-CG 3.58Å; W164-E168 WeakPolarHBondContact O-CG 3.33Å; W164-E168 PolarHBondContact O-N 3.3Å; W164-Q225 VanDerWaalsContact CD1-CG 3.45Å; W164-Q225 HydrophobicContact CG-CG 4.27Å; W164-Q225 PolarHBondContact O-NE2 2.98Å; W164-Y229 AromaticContact CD1-CD2 3.96Å; W164-Y229 AromaticContact NE1-CD2 3.46Å; W164-M232 HydrophobicContact CB-CE 4.08Å; W164-M232 HydrophobicContact CG-CE 4.32Å
165	L	97.4	Very high	96.3	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-39.3	175.5	-73.2	170.2	0	0	0	112.8	M161 L162 F163 C167 E168 E169	M161-L165 HydrophobicContact CE-CD1 4.07Å; M161-L165 HydrophobicContact CE-CD2 4.04Å; M161-L165 HydrophobicContact CE-CG 3.93Å; M161-L165 HydrophobicContact CG-CD1 4.32Å; M161-L165 WeakPolarHBondContact O-CB 3.44Å; M161-L165 VanDerWaalsContact O-CG 3.3Å; M161-L165 WeakPolarHBondContact O-CG 3.47Å; M161-L165 PolarHBondContact O-N 3.06Å; L162-L165 PolarHBondContact O-N 3.41Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 3.48Å; L165-C167 VanDerWaalsContact C-N 3.31Å; L165-C167 PolarHBondContact O-N 3.17Å; L165-E168 WeakPolarHBondContact O-CB 3.3Å; L165-E168 PolarHBondContact O-N 2.82Å; L165-E169 PolarHBondContact O-N 2.96Å
166	A	97.7	Very high	96.2	Very high	21 Å²	21	53.6 Å²	53.6	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-38.5	176.9	0	0	0	0	0	111.4	L162 F163 E169 F170 I186 Y190	L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 2.96Å; F163-A166 WeakPolarHBondContact O-CB 3.5Å; F163-A166 PolarHBondContact O-N 3.38Å; F163-A166 VanDerWaalsContact O-N 3.11Å; A166-E169 PolarHBondContact O-N 3.32Å; A166-F170 VanDerWaalsContact O-CB 3.26Å; A166-F170 WeakPolarHBondContact O-CB 3.45Å; A166-F170 PolarHBondContact O-N 3.41Å; A166-I186 HydrophobicContact CB-CD1 4.21Å; A166-I186 HydrophobicContact CB-CG1 4.02Å; A166-Y190 HydrophobicContact CB-CE2 4.17Å
167	C	97.8	Very high	96.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-40.7	173.1	-66.3	0	0	0	0	112.6	F163 W164 L165 E169 F170 S171 Q225	F163-C167 VanDerWaalsContact CE2-SG 3.53Å; F163-C167 WeakPolarHBondContact CZ-SG 3.43Å; F163-C167 PolarHBondContact O-N 3.2Å; F163-C167 PolarHBondContact O-SG 2.9Å; W164-C167 PolarHBondContact O-N 3.09Å; L165-C167 VanDerWaalsContact C-N 3.31Å; L165-C167 PolarHBondContact O-N 3.17Å; C167-E169 VanDerWaalsContact C-N 3.27Å; C167-E169 PolarHBondContact O-N 3.42Å; C167-F170 WeakPolarHBondContact O-CB 3.36Å; C167-F170 PolarHBondContact O-N 3.46Å; C167-S171 PolarHBondContact O-N 2.84Å; C167-S171 PolarHBondContact O-OG 3.43Å; C167-Q225 HydrophobicContact CB-CB 4Å; C167-Q225 HydrophobicContact CB-CG 3.67Å
168	E	96.3	Very high	96	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-33.5	174.9	-74.9	-64.1	97.2	0	0	113.2	W164 L165 S171 K172 Q225	W164-E168 HydrophobicContact CD2-CG 4.02Å; W164-E168 HydrophobicContact CE3-CG 3.84Å; W164-E168 HydrophobicContact CH2-CG 3.47Å; W164-E168 VanDerWaalsContact CH2-CG 3.47Å; W164-E168 HydrophobicContact CZ2-CG 3.64Å; W164-E168 HydrophobicContact CZ3-CG 3.58Å; W164-E168 WeakPolarHBondContact O-CG 3.33Å; W164-E168 PolarHBondContact O-N 3.3Å; L165-E168 WeakPolarHBondContact O-CB 3.3Å; L165-E168 PolarHBondContact O-N 2.82Å; E168-S171 PolarHBondContact O-OG 3.22Å; E168-K172 WeakPolarHBondContact O-CD 3.28Å; E168-K172 VanDerWaalsContact O-CE 3.27Å; E168-K172 WeakPolarHBondContact O-CE 3.45Å; E168-K172 WeakPolarHBondContact O-CG 3.46Å; E168-Q225 PolarHBondContact OE1-NE2 3.39Å
169	E	95.3	Very high	95.9	Very high	114 Å²	114	52 Å²	52	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-77.9	-38.8	175	-161.9	-163.4	144.9	0	0	111.4	L165 A166 C167 S171 K172 K182	L165-E169 PolarHBondContact O-N 2.96Å; A166-E169 PolarHBondContact O-N 3.32Å; C167-E169 VanDerWaalsContact C-N 3.27Å; C167-E169 PolarHBondContact O-N 3.42Å; E169-S171 PolarHBondContact O-N 2.87Å; E169-K172 PolarHBondContact O-N 2.92Å; E169-K182 IonicContact OE1-NZ 3.91Å; E169-K182 PolarHBondContact OE1-NZ 3.29Å
170	F	96	Very high	95.8	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-42.2	178.2	177	-103	0	0	0	112.5	A166 C167 K172 E173 I179 K182 A183 I186 N217 L218 F221	A166-F170 VanDerWaalsContact O-CB 3.26Å; A166-F170 WeakPolarHBondContact O-CB 3.45Å; A166-F170 PolarHBondContact O-N 3.41Å; C167-F170 WeakPolarHBondContact O-CB 3.36Å; C167-F170 PolarHBondContact O-N 3.46Å; F170-K172 PolarHBondContact O-N 3.42Å; F170-E173 WeakPolarHBondContact O-CB 3.42Å; F170-E173 PolarHBondContact O-N 3.27Å; F170-E173 VanDerWaalsContact O-N 3.11Å; F170-I179 HydrophobicContact CE2-CB 4.43Å; F170-I179 HydrophobicContact CE2-CG2 3.77Å; F170-I179 WeakPolarHBondContact CE2-O 3.45Å; F170-I179 HydrophobicContact CZ-CG2 3.74Å; F170-K182 HydrophobicContact CD2-CB 3.85Å; F170-K182 HydrophobicContact CE2-CB 4.33Å; F170-A183 HydrophobicContact CE2-CB 3.8Å; F170-A183 HydrophobicContact CZ-CB 4.07Å; F170-I186 HydrophobicContact CB-CD1 3.72Å; F170-I186 HydrophobicContact CD2-CD1 4.04Å; F170-I186 HydrophobicContact CG-CD1 3.97Å; F170-N217 WeakPolarHBondContact CE1-O 3.43Å; F170-N217 VanDerWaalsContact CZ-O 3.32Å; F170-N217 WeakPolarHBondContact CZ-O 3.49Å; F170-L218 WeakPolarHBondContact CE1-O 3.27Å; F170-L218 WeakPolarHBondContact O-CD2 3.39Å; F170-F221 AromaticContact CD1-CD2 3.78Å; F170-F221 HydrophobicContact CD1-CD2 3.78Å; F170-F221 HydrophobicContact CD1-CE2 4.27Å; F170-F221 AromaticContact CE1-CD2 3.65Å; F170-F221 HydrophobicContact CE1-CD2 3.65Å; F170-F221 AromaticContact CE1-CE2 3.94Å; F170-F221 HydrophobicContact CE1-CE2 3.94Å; F170-F221 HydrophobicContact CE2-CE2 4.23Å; F170-F221 HydrophobicContact CG-CD2 4.33Å; F170-F221 HydrophobicContact CZ-CD2 4.13Å; F170-F221 AromaticContact CZ-CE2 3.92Å; F170-F221 HydrophobicContact CZ-CE2 3.92Å
171	S	93.8	Very high	95.7	Very high	52 Å²	52	59.4 Å²	59.4	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17	-178.4	66.6	0	0	0	0	114.1	C167 E168 E169	C167-S171 PolarHBondContact O-N 2.84Å; C167-S171 PolarHBondContact O-OG 3.43Å; E168-S171 PolarHBondContact O-OG 3.22Å; E169-S171 PolarHBondContact O-N 2.87Å
172	K	94.1	Very high	95.6	Very high	154 Å²	154	61.5 Å²	61.5	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.6	177.8	-63.3	170.7	-172.6	171.8	0	113.1	E168 E169 F170	E168-K172 WeakPolarHBondContact O-CD 3.28Å; E168-K172 VanDerWaalsContact O-CE 3.27Å; E168-K172 WeakPolarHBondContact O-CE 3.45Å; E168-K172 WeakPolarHBondContact O-CG 3.46Å; E169-K172 PolarHBondContact O-N 2.92Å; F170-K172 PolarHBondContact O-N 3.42Å
173	E	94.3	Very high	95.6	Very high	37 Å²	37	59.8 Å²	59.8	17%	0.173	31%	0.307	C	S	.	.			trans	-71.7	145.7	-178.6	-171.7	53.1	-110.9	0	0	110.9	F170 N175 V178 I179 K182 L218	F170-E173 WeakPolarHBondContact O-CB 3.42Å; F170-E173 PolarHBondContact O-N 3.27Å; F170-E173 VanDerWaalsContact O-N 3.11Å; E173-N175 WeakPolarHBondContact OE1-CB 3.46Å; E173-N175 PolarHBondContact OE1-N 3.06Å; E173-V178 HydrophobicContact CG-CB 3.85Å; E173-V178 HydrophobicContact CG-CG1 3.83Å; E173-V178 VanDerWaalsContact OE2-CG1 3.24Å; E173-V178 WeakPolarHBondContact OE2-CG1 3.49Å; E173-I179 HydrophobicContact CB-CG1 3.94Å; E173-I179 HydrophobicContact CG-CG1 3.61Å; E173-K182 IonicContact OE2-NZ 2.75Å; E173-L218 HydrophobicContact CB-CD2 4.39Å; E173-L218 WeakPolarHBondContact O-CD1 3.21Å; E173-L218 VanDerWaalsContact O-CD2 3.27Å; E173-L218 WeakPolarHBondContact O-CD2 3.1Å
174	T	92.8	Very high	95.5	Very high	126 Å²	126	62.2 Å²	62.2	77%	0.773	32%	0.316	S	S	*	.			trans	-124.1	-20.4	178.6	56.5	0	0	0	0	112	K176	T174-K176 PolarHBondContact O-N 3.49Å
175	N	94.3	Very high	95.4	Very high	82 Å²	82	63.6 Å²	63.6	44%	0.439	33%	0.325	S	S	.	.			trans	-83.2	115.9	179.4	-174.1	-18.9	0	0	0	111	E173 S177 V178 I179	E173-N175 WeakPolarHBondContact OE1-CB 3.46Å; E173-N175 PolarHBondContact OE1-N 3.06Å; N175-S177 VanDerWaalsContact C-N 3.29Å; N175-S177 PolarHBondContact O-N 3.29Å; N175-S177 PolarHBondContact OD1-N 2.98Å; N175-S177 VanDerWaalsContact OD1-N 3.09Å; N175-S177 PolarHBondContact OD1-OG 3.08Å; N175-S177 VanDerWaalsContact OD1-OG 3.06Å; N175-V178 HydrophobicContact CB-CB 4.16Å; N175-V178 HydrophobicContact CB-CG2 3.89Å; N175-V178 WeakPolarHBondContact O-CA 3.27Å; N175-V178 PolarHBondContact O-N 3.46Å; N175-I179 WeakPolarHBondContact O-CG1 3.43Å; N175-I179 PolarHBondContact O-N 3.44Å
176	K	92.2	Very high	95.5	Very high	163 Å²	163	61.8 Å²	61.8	71%	0.709	32%	0.315	S	S	*	.	H	α-helix	trans	-50.7	-42.9	179.6	-66.8	-169.7	175.2	-166.9	0	114.1	T174 V178 I179 E180	T174-K176 PolarHBondContact O-N 3.49Å; K176-V178 VanDerWaalsContact C-N 3.27Å; K176-V178 PolarHBondContact O-N 2.88Å; K176-I179 PolarHBondContact O-N 2.98Å; K176-E180 WeakPolarHBondContact O-CG 3.34Å; K176-E180 PolarHBondContact O-N 3.48Å
177	S	93.4	Very high	95.5	Very high	74 Å²	74	63.2 Å²	63.2	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-32.1	-179.6	68.3	0	0	0	0	112.2	N175 E181	N175-S177 VanDerWaalsContact C-N 3.29Å; N175-S177 PolarHBondContact O-N 3.29Å; N175-S177 PolarHBondContact OD1-N 2.98Å; N175-S177 VanDerWaalsContact OD1-N 3.09Å; N175-S177 PolarHBondContact OD1-OG 3.08Å; N175-S177 VanDerWaalsContact OD1-OG 3.06Å; S177-E181 PolarHBondContact O-N 3.39Å
178	V	94.3	Very high	95.4	Very high	46 Å²	46	66 Å²	66	28%	0.279	33%	0.329	S	S	.	.	H	α-helix	trans	-77.3	-35.9	177.5	-176.3	0	0	0	0	110.5	E173 N175 K176 E181 K182	E173-V178 HydrophobicContact CG-CB 3.85Å; E173-V178 HydrophobicContact CG-CG1 3.83Å; E173-V178 VanDerWaalsContact OE2-CG1 3.24Å; E173-V178 WeakPolarHBondContact OE2-CG1 3.49Å; N175-V178 HydrophobicContact CB-CB 4.16Å; N175-V178 HydrophobicContact CB-CG2 3.89Å; N175-V178 WeakPolarHBondContact O-CA 3.27Å; N175-V178 PolarHBondContact O-N 3.46Å; K176-V178 VanDerWaalsContact C-N 3.27Å; K176-V178 PolarHBondContact O-N 2.88Å; V178-E181 PolarHBondContact O-N 3.33Å; V178-K182 HydrophobicContact CG1-CD 4.1Å; V178-K182 HydrophobicContact CG1-CG 4.06Å; V178-K182 WeakPolarHBondContact O-CB 3.5Å; V178-K182 WeakPolarHBondContact O-CG 3.33Å; V178-K182 PolarHBondContact O-N 3.35Å
179	I	94.9	Very high	95.5	Very high	14 Å²	14	65.1 Å²	65.1	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-50.2	172.2	-66.6	170	0	0	0	109.9	F170 E173 N175 K176 E181 K182 A183 L218	F170-I179 HydrophobicContact CE2-CB 4.43Å; F170-I179 HydrophobicContact CE2-CG2 3.77Å; F170-I179 WeakPolarHBondContact CE2-O 3.45Å; F170-I179 HydrophobicContact CZ-CG2 3.74Å; E173-I179 HydrophobicContact CB-CG1 3.94Å; E173-I179 HydrophobicContact CG-CG1 3.61Å; N175-I179 WeakPolarHBondContact O-CG1 3.43Å; N175-I179 PolarHBondContact O-N 3.44Å; K176-I179 PolarHBondContact O-N 2.98Å; I179-E181 PolarHBondContact O-N 2.95Å; I179-K182 PolarHBondContact O-N 3.2Å; I179-A183 WeakPolarHBondContact O-CB 3.4Å; I179-A183 PolarHBondContact O-N 3.43Å; I179-L218 HydrophobicContact CD1-CD2 3.56Å; I179-L218 HydrophobicContact CD1-CG 3.89Å; I179-L218 HydrophobicContact CG1-CD2 3.82Å
180	E	95.5	Very high	95.6	Very high	104 Å²	104	60.8 Å²	60.8	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-46	179.4	-72.5	174	-169.2	0	0	112.1	K176 R184 P216	K176-E180 WeakPolarHBondContact O-CG 3.34Å; K176-E180 PolarHBondContact O-N 3.48Å; E180-R184 PolarHBondContact O-N 3.4Å; E180-R184 VanDerWaalsContact O-N 3.11Å; E180-P216 HydrophobicContact CB-CG 4.45Å; E180-P216 HydrophobicContact CG-CG 4.11Å
181	E	95.9	Very high	95.7	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-43.6	179.3	-178.6	58.5	-168.4	0	0	112.6	S177 V178 I179 A183 R184 L185	S177-E181 PolarHBondContact O-N 3.39Å; V178-E181 PolarHBondContact O-N 3.33Å; I179-E181 PolarHBondContact O-N 2.95Å; E181-A183 VanDerWaalsContact C-N 3.33Å; E181-A183 PolarHBondContact O-N 2.92Å; E181-R184 WeakPolarHBondContact O-CB 3.4Å; E181-R184 PolarHBondContact O-N 3.42Å; E181-R184 IonicContact OE1-CZ 3.41Å; E181-R184 IonicContact OE1-NE 3.57Å; E181-R184 PolarHBondContact OE1-NE 3.03Å; E181-R184 IonicContact OE1-NH2 3.05Å; E181-R184 PolarHBondContact OE1-NH2 2.79Å; E181-R184 IonicContact OE2-CZ 2.83Å; E181-R184 IonicContact OE2-NE 3.87Å; E181-R184 PolarHBondContact OE2-NE 2.71Å; E181-R184 IonicContact OE2-NH2 3.05Å; E181-L185 HydrophobicContact CG-CD1 4.39Å; E181-L185 WeakPolarHBondContact O-CG 3.38Å; E181-L185 PolarHBondContact O-N 3.39Å
182	K	97	Very high	95.8	Very high	45 Å²	45	59.3 Å²	59.3	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-39.6	176.7	-74.5	-168.4	-176.5	-172.4	0	111.4	E169 F170 E173 V178 I179 R184 L185 I186	E169-K182 IonicContact OE1-NZ 3.91Å; E169-K182 PolarHBondContact OE1-NZ 3.29Å; F170-K182 HydrophobicContact CD2-CB 3.85Å; F170-K182 HydrophobicContact CE2-CB 4.33Å; E173-K182 IonicContact OE2-NZ 2.75Å; V178-K182 HydrophobicContact CG1-CD 4.1Å; V178-K182 HydrophobicContact CG1-CG 4.06Å; V178-K182 WeakPolarHBondContact O-CB 3.5Å; V178-K182 WeakPolarHBondContact O-CG 3.33Å; V178-K182 PolarHBondContact O-N 3.35Å; I179-K182 PolarHBondContact O-N 3.2Å; K182-R184 VanDerWaalsContact C-N 3.3Å; K182-R184 PolarHBondContact O-N 3.03Å; K182-L185 PolarHBondContact O-N 2.81Å; K182-I186 WeakPolarHBondContact O-CG1 3.44Å; K182-I186 PolarHBondContact O-N 3Å
183	A	97.4	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-41.3	176.5	0	0	0	0	0	111.5	F170 I179 E181 Y187 P216 F221	F170-A183 HydrophobicContact CE2-CB 3.8Å; F170-A183 HydrophobicContact CZ-CB 4.07Å; I179-A183 WeakPolarHBondContact O-CB 3.4Å; I179-A183 PolarHBondContact O-N 3.43Å; E181-A183 VanDerWaalsContact C-N 3.33Å; E181-A183 PolarHBondContact O-N 2.92Å; A183-Y187 VanDerWaalsContact O-CB 3.29Å; A183-Y187 WeakPolarHBondContact O-CB 3.26Å; A183-Y187 PolarHBondContact O-N 3.34Å; A183-P216 HydrophobicContact CB-CB 3.54Å; A183-P216 HydrophobicContact CB-CG 3.74Å; A183-F221 HydrophobicContact CB-CE2 3.95Å; A183-F221 HydrophobicContact CB-CZ 4.09Å
184	R	96	Very high	95.9	Very high	50 Å²	50	62.8 Å²	62.8	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-49.2	172.9	174.6	175.2	95.1	68.8	11.9	112.2	W87 E180 E181 K182 Y187 E188	W87-R184 HydrophobicContact CH2-CB 3.53Å; W87-R184 HydrophobicContact CH2-CG 3.57Å; W87-R184 HydrophobicContact CZ2-CB 3.38Å; W87-R184 HydrophobicContact CZ2-CG 3.01Å; E180-R184 PolarHBondContact O-N 3.4Å; E180-R184 VanDerWaalsContact O-N 3.11Å; E181-R184 WeakPolarHBondContact O-CB 3.4Å; E181-R184 PolarHBondContact O-N 3.42Å; E181-R184 IonicContact OE1-CZ 3.41Å; E181-R184 IonicContact OE1-NE 3.57Å; E181-R184 PolarHBondContact OE1-NE 3.03Å; E181-R184 IonicContact OE1-NH2 3.05Å; E181-R184 PolarHBondContact OE1-NH2 2.79Å; E181-R184 IonicContact OE2-CZ 2.83Å; E181-R184 IonicContact OE2-NE 3.87Å; E181-R184 PolarHBondContact OE2-NE 2.71Å; E181-R184 IonicContact OE2-NH2 3.05Å; K182-R184 VanDerWaalsContact C-N 3.3Å; K182-R184 PolarHBondContact O-N 3.03Å; R184-Y187 PolarHBondContact O-N 2.92Å; R184-E188 WeakPolarHBondContact CG-OE1 3.28Å; R184-E188 IonicContact CZ-OE1 2.9Å; R184-E188 IonicContact CZ-OE2 3.42Å; R184-E188 IonicContact NH1-OE1 3.85Å; R184-E188 PolarHBondContact NH1-OE1 3.18Å; R184-E188 IonicContact NH1-OE2 3.81Å; R184-E188 PolarHBondContact NH1-OE2 2.77Å; R184-E188 WeakPolarHBondContact O-CG 3.47Å; R184-E188 PolarHBondContact O-N 2.72Å
185	L	97.4	Very high	96	Very high	54 Å²	54	57.5 Å²	57.5	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-46.4	-178.7	-67.5	171.8	0	0	0	111.3	E181 K182 Y187 E188 D189	E181-L185 HydrophobicContact CG-CD1 4.39Å; E181-L185 WeakPolarHBondContact O-CG 3.38Å; E181-L185 PolarHBondContact O-N 3.39Å; K182-L185 PolarHBondContact O-N 2.81Å; L185-Y187 VanDerWaalsContact C-N 3.3Å; L185-Y187 PolarHBondContact O-N 3.29Å; L185-E188 PolarHBondContact O-N 3.25Å; L185-D189 WeakPolarHBondContact O-CB 3.39Å; L185-D189 PolarHBondContact O-N 3.02Å
186	I	98.2	Very high	96	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-42.5	176.9	-68.7	168.9	0	0	0	110.7	F163 A166 F170 K182 Y190 F221	F163-I186 HydrophobicContact CD2-CG2 4.11Å; F163-I186 HydrophobicContact CE2-CG2 3.76Å; A166-I186 HydrophobicContact CB-CD1 4.21Å; A166-I186 HydrophobicContact CB-CG1 4.02Å; F170-I186 HydrophobicContact CB-CD1 3.72Å; F170-I186 HydrophobicContact CD2-CD1 4.04Å; F170-I186 HydrophobicContact CG-CD1 3.97Å; K182-I186 WeakPolarHBondContact O-CG1 3.44Å; K182-I186 PolarHBondContact O-N 3Å; I186-Y190 HydrophobicContact CG2-CD2 4.38Å; I186-Y190 PolarHBondContact O-N 3.3Å; I186-F221 HydrophobicContact CB-CE2 4.12Å; I186-F221 HydrophobicContact CB-CZ 3.98Å; I186-F221 HydrophobicContact CD1-CD2 4.35Å; I186-F221 HydrophobicContact CD1-CE2 4.13Å; I186-F221 HydrophobicContact CG2-CD1 4.1Å; I186-F221 HydrophobicContact CG2-CD2 4.21Å; I186-F221 HydrophobicContact CG2-CE1 3.83Å; I186-F221 HydrophobicContact CG2-CE2 3.96Å; I186-F221 HydrophobicContact CG2-CG 4.29Å; I186-F221 HydrophobicContact CG2-CZ 3.76Å
187	Y	98.1	Very high	96.1	Very high	51 Å²	51	56.1 Å²	56.1	20%	0.2	29%	0.291	C	S	.	.	I	π-helix	trans	-61.9	-50.8	177.9	-175.5	-85	0	0	0	111.9	A183 R184 L185 D189 I191 S192 I209 N210 M213	A183-Y187 VanDerWaalsContact O-CB 3.29Å; A183-Y187 WeakPolarHBondContact O-CB 3.26Å; A183-Y187 PolarHBondContact O-N 3.34Å; R184-Y187 PolarHBondContact O-N 2.92Å; L185-Y187 VanDerWaalsContact C-N 3.3Å; L185-Y187 PolarHBondContact O-N 3.29Å; Y187-D189 PolarHBondContact O-N 2.54Å; Y187-I191 HydrophobicContact CD2-CB 3.79Å; Y187-I191 HydrophobicContact CD2-CG1 4.32Å; Y187-I191 HydrophobicContact CD2-CG2 3.82Å; Y187-I191 HydrophobicContact CE2-CB 4.1Å; Y187-I191 HydrophobicContact CE2-CG2 3.68Å; Y187-I191 HydrophobicContact CG-CB 4.21Å; Y187-I191 CarbonylContact O-C 3.28Å; Y187-I191 WeakPolarHBondContact O-CA 3.33Å; Y187-I191 WeakPolarHBondContact O-CB 3.32Å; Y187-I191 PolarHBondContact O-N 2.78Å; Y187-S192 PolarHBondContact O-N 3.06Å; Y187-I209 HydrophobicContact CD2-CG2 3.88Å; Y187-I209 HydrophobicContact CE2-CG2 4.15Å; Y187-N210 WeakPolarHBondContact CE2-OD1 3.42Å; Y187-N210 PolarHBondContact OH-OD1 3.11Å; Y187-M213 HydrophobicContact CD2-CE 4.18Å; Y187-M213 HydrophobicContact CD2-CG 3.61Å; Y187-M213 HydrophobicContact CD2-SD 3.74Å; Y187-M213 HydrophobicContact CE2-CG 3.89Å; Y187-M213 HydrophobicContact CG-CE 3.96Å; Y187-M213 HydrophobicContact CG-CG 4.29Å; Y187-M213 HydrophobicContact CG-SD 4.1Å
188	E	97.3	Very high	96.3	Very high	60 Å²	60	53.5 Å²	53.5	28%	0.28	27%	0.271	S	S	.	.	I	π-helix	trans	-64.1	-40.6	-178.7	-74.8	173.4	-167.7	0	0	112.1	W87 R184 L185 S195	W87-E188 PolarHBondContact NE1-OE1 3.49Å; R184-E188 WeakPolarHBondContact CG-OE1 3.28Å; R184-E188 IonicContact CZ-OE1 2.9Å; R184-E188 IonicContact CZ-OE2 3.42Å; R184-E188 IonicContact NH1-OE1 3.85Å; R184-E188 PolarHBondContact NH1-OE1 3.18Å; R184-E188 IonicContact NH1-OE2 3.81Å; R184-E188 PolarHBondContact NH1-OE2 2.77Å; R184-E188 WeakPolarHBondContact O-CG 3.47Å; R184-E188 PolarHBondContact O-N 2.72Å; L185-E188 PolarHBondContact O-N 3.25Å; E188-S195 WeakPolarHBondContact O-CB 3.37Å
189	D	97.7	Very high	96.5	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	26%	0.257	C	S	.	.	I	π-helix	trans	-82.4	-31.4	-175.6	-75.1	-20.9	0	0	0	113.2	R99 L185 Y187 S195 K197	R99-D189 IonicContact NH2-OD1 3.37Å; R99-D189 PolarHBondContact NH2-OD1 2.82Å; R99-D189 IonicContact NH2-OD2 2.67Å; R99-D189 PolarHBondContact NH2-OD2 3.48Å; L185-D189 WeakPolarHBondContact O-CB 3.39Å; L185-D189 PolarHBondContact O-N 3.02Å; Y187-D189 PolarHBondContact O-N 2.54Å; D189-S195 VanDerWaalsContact C-OG 3.3Å; D189-S195 WeakPolarHBondContact O-CB 3.37Å; D189-S195 PolarHBondContact O-OG 3.46Å; D189-K197 WeakPolarHBondContact O-CB 3.28Å
190	Y	98.2	Very high	96.5	Very high	23 Å²	23	53.8 Å²	53.8	9%	0.09	28%	0.276	C	S	.	.	I	π-helix	trans	-125.8	-25.6	-171.9	-57.7	-73.7	0	0	0	115.1	L162 F163 A166 I186 K197 E198 V199	L162-Y190 HydrophobicContact CB-CE1 3.9Å; L162-Y190 WeakPolarHBondContact CB-OH 3.34Å; F163-Y190 HydrophobicContact CB-CD1 3.76Å; F163-Y190 HydrophobicContact CB-CD2 4.35Å; F163-Y190 HydrophobicContact CB-CE1 4.23Å; F163-Y190 HydrophobicContact CB-CG 3.82Å; F163-Y190 VanDerWaalsContact CD2-CB 3.43Å; F163-Y190 HydrophobicContact CD2-CD1 4.5Å; F163-Y190 AromaticContact CD2-CD2 3.94Å; F163-Y190 HydrophobicContact CD2-CD2 3.94Å; F163-Y190 AromaticContact CD2-CG 3.71Å; F163-Y190 HydrophobicContact CD2-CG 3.71Å; F163-Y190 HydrophobicContact CG-CG 4.21Å; A166-Y190 HydrophobicContact CB-CE2 4.17Å; I186-Y190 HydrophobicContact CG2-CD2 4.38Å; I186-Y190 PolarHBondContact O-N 3.3Å; Y190-K197 HydrophobicContact CD1-CB 4.2Å; Y190-K197 HydrophobicContact CE1-CB 4.25Å; Y190-K197 HydrophobicContact CE1-CD 4.31Å; Y190-E198 WeakPolarHBondContact O-CA 3.18Å; Y190-V199 HydrophobicContact CD1-CG1 4.31Å; Y190-V199 WeakPolarHBondContact O-CG2 3.5Å; Y190-V199 PolarHBondContact O-N 3.41Å
191	I	97.6	Very high	96.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-98.7	-35.3	-175.5	-49.5	-58.9	0	0	0	111.3	F163 Y187 I193 V199 L201 R206 I209 F221	F163-I191 HydrophobicContact CE2-CD1 3.69Å; F163-I191 HydrophobicContact CZ-CD1 3.98Å; Y187-I191 HydrophobicContact CD2-CB 3.79Å; Y187-I191 HydrophobicContact CD2-CG1 4.32Å; Y187-I191 HydrophobicContact CD2-CG2 3.82Å; Y187-I191 HydrophobicContact CE2-CB 4.1Å; Y187-I191 HydrophobicContact CE2-CG2 3.68Å; Y187-I191 HydrophobicContact CG-CB 4.21Å; Y187-I191 CarbonylContact O-C 3.28Å; Y187-I191 WeakPolarHBondContact O-CA 3.33Å; Y187-I191 WeakPolarHBondContact O-CB 3.32Å; Y187-I191 PolarHBondContact O-N 2.78Å; I191-I193 PolarHBondContact O-N 3.22Å; I191-V199 HydrophobicContact CD1-CG2 4.33Å; I191-L201 HydrophobicContact CD1-CD1 3.56Å; I191-R206 PolarHBondContact O-NH1 3.33Å; I191-I209 HydrophobicContact CD1-CD1 3.77Å; I191-I209 HydrophobicContact CG1-CD1 4.21Å; I191-I209 HydrophobicContact CG2-CD1 4.1Å; I191-I209 HydrophobicContact CG2-CG2 4.28Å; I191-F221 HydrophobicContact CG1-CE1 4.19Å
192	S	96.1	Very high	96.5	Very high	25 Å²	25	50.4 Å²	50.4	18%	0.175	26%	0.264	C	S	.	.			trans	-57.8	132.4	-177.6	-178.6	0	0	0	0	111.7	Y187 L194 S195 E198	Y187-S192 PolarHBondContact O-N 3.06Å; S192-L194 PolarHBondContact O-N 3.04Å; S192-L194 VanDerWaalsContact O-N 3.1Å; S192-L194 PolarHBondContact OG-N 3.15Å; S192-S195 VanDerWaalsContact O-CB 3.26Å; S192-S195 WeakPolarHBondContact O-CB 3.48Å; S192-S195 PolarHBondContact O-N 3.29Å; S192-E198 WeakPolarHBondContact O-CG 3.44Å
193	I	93.9	Very high	96.5	Very high	114 Å²	114	52.4 Å²	52.4	59%	0.585	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.8	173.6	61.6	172.1	0	0	0	113.3	I191	I191-I193 PolarHBondContact O-N 3.22Å
194	L	94.8	Very high	96.4	Very high	149 Å²	149	62.1 Å²	62.1	78%	0.78	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.5	176.7	-55.8	-178.9	0	0	0	111.8	S192	S192-L194 PolarHBondContact O-N 3.04Å; S192-L194 VanDerWaalsContact O-N 3.1Å; S192-L194 PolarHBondContact OG-N 3.15Å
195	S	95.6	Very high	96.5	Very high	15 Å²	15	60.8 Å²	60.8	11%	0.105	32%	0.317	C	S	.	.			trans	-74.7	134.6	-178.5	-178.8	0	0	0	0	111.3	E188 D189 S192 K197 E198	E188-S195 WeakPolarHBondContact O-CB 3.37Å; D189-S195 VanDerWaalsContact C-OG 3.3Å; D189-S195 WeakPolarHBondContact O-CB 3.37Å; D189-S195 PolarHBondContact O-OG 3.46Å; S192-S195 VanDerWaalsContact O-CB 3.26Å; S192-S195 WeakPolarHBondContact O-CB 3.48Å; S192-S195 PolarHBondContact O-N 3.29Å; S195-K197 PolarHBondContact O-N 3.46Å; S195-K197 PolarHBondContact OG-N 3.33Å; S195-E198 WeakPolarHBondContact O-CB 3.31Å; S195-E198 PolarHBondContact O-N 2.96Å
196	P	93.8	Very high	96.5	Very high	120 Å²	120	59.9 Å²	59.9	78%	0.779	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.9	168.9	28.2	-34.7	0	0	0	112.8
197	K	95.9	Very high	96.4	Very high	96 Å²	96	63.6 Å²	63.6	42%	0.417	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	22.5	179.1	-56.6	174.5	-175.2	173.4	0	112.4	E159 D189 Y190 S195 V199	E159-K197 HydrophobicContact CB-CB 4.11Å; D189-K197 WeakPolarHBondContact O-CB 3.28Å; Y190-K197 HydrophobicContact CD1-CB 4.2Å; Y190-K197 HydrophobicContact CE1-CB 4.25Å; Y190-K197 HydrophobicContact CE1-CD 4.31Å; S195-K197 PolarHBondContact O-N 3.46Å; S195-K197 PolarHBondContact OG-N 3.33Å; K197-V199 PolarHBondContact O-N 3.28Å
198	E	96.8	Very high	96.3	Very high	19 Å²	19	62.1 Å²	62.1	9%	0.089	33%	0.326	C	S	.	.			trans	-56.7	125.6	-179.7	-173.1	-167.7	178.4	0	0	111.5	R45 R49 Y190 S192 S195 R206	R45-E198 IonicContact CZ-OE2 3.11Å; R45-E198 VanDerWaalsContact NH2-CD 3.26Å; R45-E198 IonicContact NH2-OE1 3.86Å; R45-E198 IonicContact NH2-OE2 2.67Å; R45-E198 PolarHBondContact NH2-OE2 3.38Å; R49-E198 PolarHBondContact NH2-O 3.27Å; Y190-E198 WeakPolarHBondContact O-CA 3.18Å; S192-E198 WeakPolarHBondContact O-CG 3.44Å; S195-E198 WeakPolarHBondContact O-CB 3.31Å; S195-E198 PolarHBondContact O-N 2.96Å; E198-R206 IonicContact OE1-CZ 3.3Å; E198-R206 IonicContact OE1-NH1 3.03Å; E198-R206 PolarHBondContact OE1-NH1 3.41Å; E198-R206 VanDerWaalsContact OE1-NH1 3.11Å; E198-R206 IonicContact OE1-NH2 2.71Å; E198-R206 PolarHBondContact OE1-NH2 2.78Å
199	V	97.7	Very high	96.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.			trans	-83.6	148.4	175	-61.3	0	0	0	0	111.5	E159 F163 Y190 I191 K197 L201 I228	E159-V199 HydrophobicContact CB-CG1 4.43Å; E159-V199 HydrophobicContact CG-CG1 4.01Å; F163-V199 HydrophobicContact CB-CG1 3.72Å; F163-V199 HydrophobicContact CD1-CG1 4.36Å; F163-V199 HydrophobicContact CD1-CG2 4.26Å; F163-V199 HydrophobicContact CE1-CG2 4.46Å; F163-V199 HydrophobicContact CG-CG1 4.04Å; F163-V199 HydrophobicContact CG-CG2 4.31Å; Y190-V199 HydrophobicContact CD1-CG1 4.31Å; Y190-V199 WeakPolarHBondContact O-CG2 3.5Å; Y190-V199 PolarHBondContact O-N 3.41Å; I191-V199 HydrophobicContact CD1-CG2 4.33Å; K197-V199 PolarHBondContact O-N 3.28Å; V199-L201 HydrophobicContact CG2-CD1 3.91Å; V199-L201 HydrophobicContact CG2-CD2 4.16Å; V199-L201 HydrophobicContact CG2-CG 3.77Å; V199-L201 PolarHBondContact O-N 2.85Å; V199-I228 HydrophobicContact CB-CD1 3.8Å; V199-I228 HydrophobicContact CB-CG1 4.23Å; V199-I228 HydrophobicContact CG2-CD1 4.09Å; V199-I228 HydrophobicContact CG2-CG1 4.18Å
200	S	95.4	Very high	96.1	Very high	67 Å²	67	59 Å²	59	47%	0.469	31%	0.311	S	S	.	.			trans	-78.6	106.8	179.4	-170	0	0	0	0	110.4	I228	S200-I228 WeakPolarHBondContact O-CD1 3.4Å
201	L	96.3	Very high	96	Very high	19 Å²	19	65.2 Å²	65.2	10%	0.099	33%	0.334	C	S	.	.			trans	-121.5	147.3	179.8	-63.6	175.9	0	0	0	111.3	I191 V199 I209 A224 Q227 I228	I191-L201 HydrophobicContact CD1-CD1 3.56Å; V199-L201 HydrophobicContact CG2-CD1 3.91Å; V199-L201 HydrophobicContact CG2-CD2 4.16Å; V199-L201 HydrophobicContact CG2-CG 3.77Å; V199-L201 PolarHBondContact O-N 2.85Å; L201-I209 HydrophobicContact CD1-CD1 4.1Å; L201-A224 HydrophobicContact CD1-CB 3.98Å; L201-A224 HydrophobicContact CD2-CB 3.89Å; L201-Q227 HydrophobicContact CD2-CB 4.42Å; L201-Q227 HydrophobicContact CD2-CG 4.18Å; L201-I228 HydrophobicContact CD2-CD1 3.76Å; L201-I228 HydrophobicContact CD2-CG1 3.8Å
202	D	96.2	Very high	95.8	Very high	98 Å²	98	68.1 Å²	68.1	52%	0.524	35%	0.35	S	S	.	.			trans	-63.3	146.9	170.4	-70.2	-16.2	0	0	0	110.6	R204 V205 R206 Q227	D202-R204 VanDerWaalsContact C-N 3.25Å; D202-R204 PolarHBondContact O-N 2.89Å; D202-V205 HydrophobicContact CB-CG2 4.33Å; D202-V205 PolarHBondContact O-N 3.08Å; D202-V205 VanDerWaalsContact O-N 3.1Å; D202-R206 PolarHBondContact O-N 3.02Å; D202-Q227 PolarHBondContact OD2-NE2 3.33Å
203	S	95.6	Very high	95.8	Very high	87 Å²	87	68.5 Å²	68.5	61%	0.608	35%	0.349	S	S	*	.	H	α-helix	trans	-54.1	-42.8	-179.4	56.4	0	0	0	0	112.2	V205 R206 E207	S203-V205 PolarHBondContact O-N 2.78Å; S203-R206 PolarHBondContact O-N 2.63Å; S203-E207 WeakPolarHBondContact O-CB 3.35Å; S203-E207 VanDerWaalsContact O-CG 3.28Å; S203-E207 WeakPolarHBondContact O-CG 3.36Å; S203-E207 PolarHBondContact O-N 3.07Å
204	R	96.3	Very high	95.7	Very high	204 Å²	204	68.1 Å²	68.1	77%	0.77	35%	0.354	S	S	*	.	H	α-helix	trans	-61.8	-41.7	179.6	-176.1	179.1	174.5	-171.5	-2.6	112.7	D202 A208	D202-R204 VanDerWaalsContact C-N 3.25Å; D202-R204 PolarHBondContact O-N 2.89Å; R204-A208 PolarHBondContact O-N 3.35Å; R204-A208 VanDerWaalsContact O-N 3.09Å
205	V	97.4	Very high	95.6	Very high	21 Å²	21	68.4 Å²	68.4	13%	0.127	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-47.2	179.9	174.3	0	0	0	0	109.6	D202 S203 E207 A208 I209 D223 A224	D202-V205 HydrophobicContact CB-CG2 4.33Å; D202-V205 PolarHBondContact O-N 3.08Å; D202-V205 VanDerWaalsContact O-N 3.1Å; S203-V205 PolarHBondContact O-N 2.78Å; V205-E207 VanDerWaalsContact C-N 3.35Å; V205-E207 PolarHBondContact O-N 3.03Å; V205-A208 WeakPolarHBondContact O-CB 3.37Å; V205-A208 PolarHBondContact O-N 2.9Å; V205-A208 VanDerWaalsContact O-N 3.11Å; V205-I209 PolarHBondContact O-N 2.94Å; V205-I209 VanDerWaalsContact O-N 3.09Å; V205-D223 HydrophobicContact CG1-CB 4.17Å; V205-D223 HydrophobicContact CG2-CB 4.5Å; V205-A224 HydrophobicContact CG1-CB 3.67Å
206	R	97.3	Very high	95.5	Very high	35 Å²	35	68.5 Å²	68.5	13%	0.132	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-43.4	175.7	-178.9	-179.5	-65.4	-102.6	-2.9	112.8	I191 E198 D202 S203 A208 I209 N210	I191-R206 PolarHBondContact O-NH1 3.33Å; E198-R206 IonicContact OE1-CZ 3.3Å; E198-R206 IonicContact OE1-NH1 3.03Å; E198-R206 PolarHBondContact OE1-NH1 3.41Å; E198-R206 VanDerWaalsContact OE1-NH1 3.11Å; E198-R206 IonicContact OE1-NH2 2.71Å; E198-R206 PolarHBondContact OE1-NH2 2.78Å; D202-R206 PolarHBondContact O-N 3.02Å; S203-R206 PolarHBondContact O-N 2.63Å; R206-A208 VanDerWaalsContact C-N 3.29Å; R206-A208 PolarHBondContact O-N 3.14Å; R206-I209 PolarHBondContact O-N 3.48Å; R206-N210 WeakPolarHBondContact O-CB 3.38Å; R206-N210 PolarHBondContact O-N 3.36Å; R206-N210 PolarHBondContact O-ND2 2.8Å; R206-N210 PolarHBondContact O-OD1 2.93Å
207	E	95.9	Very high	95.4	Very high	90 Å²	90	66.2 Å²	66.2	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-37.3	175.6	-77.9	177.9	-167	0	0	112.2	S203 V205 N210 R211	S203-E207 WeakPolarHBondContact O-CB 3.35Å; S203-E207 VanDerWaalsContact O-CG 3.28Å; S203-E207 WeakPolarHBondContact O-CG 3.36Å; S203-E207 PolarHBondContact O-N 3.07Å; V205-E207 VanDerWaalsContact C-N 3.35Å; V205-E207 PolarHBondContact O-N 3.03Å; E207-N210 PolarHBondContact O-N 2.92Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 VanDerWaalsContact O-N 3.1Å
208	A	96.6	Very high	95.3	Very high	19 Å²	19	64 Å²	64	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-46.7	175.8	0	0	0	0	0	111.8	R204 V205 R206 N210 R211 N212	R204-A208 PolarHBondContact O-N 3.35Å; R204-A208 VanDerWaalsContact O-N 3.09Å; V205-A208 WeakPolarHBondContact O-CB 3.37Å; V205-A208 PolarHBondContact O-N 2.9Å; V205-A208 VanDerWaalsContact O-N 3.11Å; R206-A208 VanDerWaalsContact C-N 3.29Å; R206-A208 PolarHBondContact O-N 3.14Å; A208-N210 VanDerWaalsContact C-N 3.35Å; A208-N210 PolarHBondContact O-N 3.44Å; A208-R211 PolarHBondContact O-N 3.26Å; A208-N212 PolarHBondContact O-N 2.88Å; A208-N212 PolarHBondContact O-ND2 2.92Å
209	I	96.9	Very high	95.2	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-56.6	-51	173.9	-60.8	168.9	0	0	0	110	Y187 I191 L201 V205 R206 R211 N212 M213 T220 F221 A224	Y187-I209 HydrophobicContact CD2-CG2 3.88Å; Y187-I209 HydrophobicContact CE2-CG2 4.15Å; I191-I209 HydrophobicContact CD1-CD1 3.77Å; I191-I209 HydrophobicContact CG1-CD1 4.21Å; I191-I209 HydrophobicContact CG2-CD1 4.1Å; I191-I209 HydrophobicContact CG2-CG2 4.28Å; L201-I209 HydrophobicContact CD1-CD1 4.1Å; V205-I209 PolarHBondContact O-N 2.94Å; V205-I209 VanDerWaalsContact O-N 3.09Å; R206-I209 PolarHBondContact O-N 3.48Å; I209-R211 PolarHBondContact O-N 3.01Å; I209-R211 VanDerWaalsContact O-N 3.15Å; I209-N212 PolarHBondContact O-N 3.34Å; I209-M213 HydrophobicContact CG2-CG 4.12Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.36Å; I209-M213 PolarHBondContact O-N 3.27Å; I209-T220 HydrophobicContact CG2-CG2 4.27Å; I209-F221 HydrophobicContact CD1-CD1 4.2Å; I209-F221 HydrophobicContact CG1-CD1 4.4Å; I209-F221 HydrophobicContact CG2-CD1 4.25Å; I209-F221 HydrophobicContact CG2-CE1 3.81Å; I209-A224 HydrophobicContact CD1-CB 3.82Å
210	N	94.7	Very high	95.1	Very high	35 Å²	35	69.5 Å²	69.5	19%	0.187	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-32.8	-178	-70.3	-12.1	0	0	0	113.4	Y187 R206 E207 A208	Y187-N210 WeakPolarHBondContact CE2-OD1 3.42Å; Y187-N210 PolarHBondContact OH-OD1 3.11Å; R206-N210 WeakPolarHBondContact O-CB 3.38Å; R206-N210 PolarHBondContact O-N 3.36Å; R206-N210 PolarHBondContact O-ND2 2.8Å; R206-N210 PolarHBondContact O-OD1 2.93Å; E207-N210 PolarHBondContact O-N 2.92Å; A208-N210 VanDerWaalsContact C-N 3.35Å; A208-N210 PolarHBondContact O-N 3.44Å
211	R	95.6	Very high	95.3	Very high	153 Å²	153	66.4 Å²	66.4	58%	0.577	33%	0.329	S	S	*	.	H	α-helix	trans	-73.7	-30.4	175.5	-73.4	-170.7	-55.8	-95.6	0.8	113	E207 A208 I209 P214	E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 VanDerWaalsContact O-N 3.1Å; A208-R211 PolarHBondContact O-N 3.26Å; I209-R211 PolarHBondContact O-N 3.01Å; I209-R211 VanDerWaalsContact O-N 3.15Å; R211-P214 VanDerWaalsContact O-CD 3.25Å; R211-P214 WeakPolarHBondContact O-CD 3.44Å
212	N	94.1	Very high	95.3	Very high	62 Å²	62	68.3 Å²	68.3	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-87.1	-21.9	-177.7	-66	-13.5	0	0	0	112.6	A208 I209 P214 E215 P216 T220	A208-N212 PolarHBondContact O-N 2.88Å; A208-N212 PolarHBondContact O-ND2 2.92Å; I209-N212 PolarHBondContact O-N 3.34Å; N212-P214 VanDerWaalsContact C-N 3.31Å; N212-P214 WeakPolarHBondContact O-CD 3.3Å; N212-P214 VanDerWaalsContact O-N 3.15Å; N212-E215 CarbonylContact O-C 3.03Å; N212-E215 PolarHBondContact O-N 3.49Å; N212-E215 VanDerWaalsContact O-O 3.14Å; N212-P216 WeakPolarHBondContact O-CA 3.38Å; N212-T220 HydrophobicContact CB-CG2 4.05Å
213	M	94.4	Very high	95.4	Very high	33 Å²	33	68.9 Å²	68.9	16%	0.163	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.9	-179.1	-75.4	-52.8	-61.1	0	0	117.3	Y187 I209 E215 T220 F221	Y187-M213 HydrophobicContact CD2-CE 4.18Å; Y187-M213 HydrophobicContact CD2-CG 3.61Å; Y187-M213 HydrophobicContact CD2-SD 3.74Å; Y187-M213 HydrophobicContact CE2-CG 3.89Å; Y187-M213 HydrophobicContact CG-CE 3.96Å; Y187-M213 HydrophobicContact CG-CG 4.29Å; Y187-M213 HydrophobicContact CG-SD 4.1Å; I209-M213 HydrophobicContact CG2-CG 4.12Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.36Å; I209-M213 PolarHBondContact O-N 3.27Å; M213-E215 VanDerWaalsContact C-N 3.27Å; M213-E215 PolarHBondContact O-N 2.79Å; M213-T220 HydrophobicContact SD-CG2 4.39Å; M213-F221 HydrophobicContact SD-CZ 4.38Å
214	P	92.8	Very high	95.5	Very high	105 Å²	105	64.8 Å²	64.8	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30	171.3	-24.6	36.2	0	0	0	114.1	R211 N212	R211-P214 VanDerWaalsContact O-CD 3.25Å; R211-P214 WeakPolarHBondContact O-CD 3.44Å; N212-P214 VanDerWaalsContact C-N 3.31Å; N212-P214 WeakPolarHBondContact O-CD 3.3Å; N212-P214 VanDerWaalsContact O-N 3.15Å
215	E	92.1	Very high	95.6	Very high	155 Å²	155	56.1 Å²	56.1	72%	0.724	28%	0.283	S	S	*	.	S	Bend	trans	-145.7	77.3	176.7	-169.5	178.1	-175.9	0	0	108.5	N212 M213	N212-E215 CarbonylContact O-C 3.03Å; N212-E215 PolarHBondContact O-N 3.49Å; N212-E215 VanDerWaalsContact O-O 3.14Å; M213-E215 VanDerWaalsContact C-N 3.27Å; M213-E215 PolarHBondContact O-N 2.79Å
216	P	92.9	Very high	95.7	Very high	17 Å²	17	60.3 Å²	60.3	11%	0.11	30%	0.303	C	S	.	.			trans	-69.8	141.7	-175.3	29.6	-34.6	0	0	0	110.8	E180 A183 N212 T220	E180-P216 HydrophobicContact CB-CG 4.45Å; E180-P216 HydrophobicContact CG-CG 4.11Å; A183-P216 HydrophobicContact CB-CB 3.54Å; A183-P216 HydrophobicContact CB-CG 3.74Å; N212-P216 WeakPolarHBondContact O-CA 3.38Å; P216-T220 HydrophobicContact CB-CG2 4.47Å
217	N	93	Very high	95.7	Very high	72 Å²	72	60.7 Å²	60.7	39%	0.385	31%	0.307	S	S	.	.			trans	-122	175.6	172.6	63.4	65.7	0	0	0	110.9	F170 H219 T220	F170-N217 WeakPolarHBondContact CE1-O 3.43Å; F170-N217 VanDerWaalsContact CZ-O 3.32Å; F170-N217 WeakPolarHBondContact CZ-O 3.49Å; N217-H219 PolarHBondContact O-N 3.01Å; N217-H219 VanDerWaalsContact O-N 3.08Å; N217-H219 WeakPolarHBondContact OD1-CA 3.32Å; N217-H219 WeakPolarHBondContact OD1-CB 3.36Å; N217-H219 PolarHBondContact OD1-N 3.24Å; N217-T220 PolarHBondContact N-OG1 3Å; N217-T220 VanDerWaalsContact O-CB 3.27Å; N217-T220 WeakPolarHBondContact O-CB 3.39Å; N217-T220 PolarHBondContact O-N 3.3Å; N217-T220 PolarHBondContact O-OG1 2.93Å; N217-T220 PolarHBondContact OD1-N 3.45Å
218	L	94	Very high	95.8	Very high	51 Å²	51	56.4 Å²	56.4	27%	0.267	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.9	-177.3	-66	174.8	0	0	0	114.2	F170 E173 I179	F170-L218 WeakPolarHBondContact CE1-O 3.27Å; F170-L218 WeakPolarHBondContact O-CD2 3.39Å; E173-L218 HydrophobicContact CB-CD2 4.39Å; E173-L218 WeakPolarHBondContact O-CD1 3.21Å; E173-L218 VanDerWaalsContact O-CD2 3.27Å; E173-L218 WeakPolarHBondContact O-CD2 3.1Å; I179-L218 HydrophobicContact CD1-CD2 3.56Å; I179-L218 HydrophobicContact CD1-CG 3.89Å; I179-L218 HydrophobicContact CG1-CD2 3.82Å
219	H	94.7	Very high	95.9	Very high	128 Å²	128	57 Å²	57	59%	0.593	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	6.7	-179.3	-56	-64	0	0	0	113.4	N217 F221 D222	N217-H219 PolarHBondContact O-N 3.01Å; N217-H219 VanDerWaalsContact O-N 3.08Å; N217-H219 WeakPolarHBondContact OD1-CA 3.32Å; N217-H219 WeakPolarHBondContact OD1-CB 3.36Å; N217-H219 PolarHBondContact OD1-N 3.24Å; H219-F221 PolarHBondContact O-N 2.93Å; H219-F221 VanDerWaalsContact O-N 3.14Å; H219-D222 WeakPolarHBondContact CA-OD1 3.33Å; H219-D222 WeakPolarHBondContact CB-OD2 3.42Å; H219-D222 IonicContact CE1-OD2 2.64Å; H219-D222 IonicContact CG-OD2 2.72Å; H219-D222 IonicContact ND1-OD2 3.21Å; H219-D222 PolarHBondContact ND1-OD2 2.64Å; H219-D222 PolarHBondContact O-N 2.76Å
220	T	95.8	Very high	95.9	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.037	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.7	-175.7	-60.6	0	0	0	0	112.5	I209 N212 M213 P216 N217	I209-T220 HydrophobicContact CG2-CG2 4.27Å; N212-T220 HydrophobicContact CB-CG2 4.05Å; M213-T220 HydrophobicContact SD-CG2 4.39Å; P216-T220 HydrophobicContact CB-CG2 4.47Å; N217-T220 PolarHBondContact N-OG1 3Å; N217-T220 VanDerWaalsContact O-CB 3.27Å; N217-T220 WeakPolarHBondContact O-CB 3.39Å; N217-T220 PolarHBondContact O-N 3.3Å; N217-T220 PolarHBondContact O-OG1 2.93Å; N217-T220 PolarHBondContact OD1-N 3.45Å
221	F	98.1	Very high	96.1	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	2.8	-173.7	-54.9	-68.6	0	0	0	114.4	F170 A183 I186 I191 I209 M213 H219 D223 A224 Q225	F170-F221 AromaticContact CD1-CD2 3.78Å; F170-F221 HydrophobicContact CD1-CD2 3.78Å; F170-F221 HydrophobicContact CD1-CE2 4.27Å; F170-F221 AromaticContact CE1-CD2 3.65Å; F170-F221 HydrophobicContact CE1-CD2 3.65Å; F170-F221 AromaticContact CE1-CE2 3.94Å; F170-F221 HydrophobicContact CE1-CE2 3.94Å; F170-F221 HydrophobicContact CE2-CE2 4.23Å; F170-F221 HydrophobicContact CG-CD2 4.33Å; F170-F221 HydrophobicContact CZ-CD2 4.13Å; F170-F221 AromaticContact CZ-CE2 3.92Å; F170-F221 HydrophobicContact CZ-CE2 3.92Å; A183-F221 HydrophobicContact CB-CE2 3.95Å; A183-F221 HydrophobicContact CB-CZ 4.09Å; I186-F221 HydrophobicContact CB-CE2 4.12Å; I186-F221 HydrophobicContact CB-CZ 3.98Å; I186-F221 HydrophobicContact CD1-CD2 4.35Å; I186-F221 HydrophobicContact CD1-CE2 4.13Å; I186-F221 HydrophobicContact CG2-CD1 4.1Å; I186-F221 HydrophobicContact CG2-CD2 4.21Å; I186-F221 HydrophobicContact CG2-CE1 3.83Å; I186-F221 HydrophobicContact CG2-CE2 3.96Å; I186-F221 HydrophobicContact CG2-CG 4.29Å; I186-F221 HydrophobicContact CG2-CZ 3.76Å; I191-F221 HydrophobicContact CG1-CE1 4.19Å; I209-F221 HydrophobicContact CD1-CD1 4.2Å; I209-F221 HydrophobicContact CG1-CD1 4.4Å; I209-F221 HydrophobicContact CG2-CD1 4.25Å; I209-F221 HydrophobicContact CG2-CE1 3.81Å; M213-F221 HydrophobicContact SD-CZ 4.38Å; H219-F221 PolarHBondContact O-N 2.93Å; H219-F221 VanDerWaalsContact O-N 3.14Å; F221-D223 PolarHBondContact O-N 3.1Å; F221-A224 CarbonylContact O-C 3.51Å; F221-A224 PolarHBondContact O-N 2.61Å; F221-A224 VanDerWaalsContact O-N 3.07Å; F221-Q225 WeakPolarHBondContact O-CB 3.44Å; F221-Q225 PolarHBondContact O-N 3.36Å
222	D	97.5	Very high	96.2	Very high	59 Å²	59	53.2 Å²	53.2	32%	0.316	28%	0.278	S	S	.	.	H	α-helix	trans	-56.5	-49.8	-172.2	-70.1	6.9	0	0	0	112.4	H219 A224 Q225 L226	H219-D222 WeakPolarHBondContact CA-OD1 3.33Å; H219-D222 WeakPolarHBondContact CB-OD2 3.42Å; H219-D222 IonicContact CE1-OD2 2.64Å; H219-D222 IonicContact CG-OD2 2.72Å; H219-D222 IonicContact ND1-OD2 3.21Å; H219-D222 PolarHBondContact ND1-OD2 2.64Å; H219-D222 PolarHBondContact O-N 2.76Å; D222-A224 VanDerWaalsContact C-N 3.29Å; D222-A224 PolarHBondContact O-N 2.84Å; D222-Q225 PolarHBondContact O-N 3.24Å; D222-L226 WeakPolarHBondContact O-CB 3.29Å; D222-L226 PolarHBondContact O-N 3.45Å
223	D	97.8	Very high	96.4	Very high	110 Å²	110	53.5 Å²	53.5	59%	0.588	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-37.9	178.9	-74	-16.8	0	0	0	111.9	V205 F221 Q227	V205-D223 HydrophobicContact CG1-CB 4.17Å; V205-D223 HydrophobicContact CG2-CB 4.5Å; F221-D223 PolarHBondContact O-N 3.1Å; D223-Q227 WeakPolarHBondContact O-CB 3.38Å; D223-Q227 PolarHBondContact O-N 2.92Å
224	A	98.2	Very high	96.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-73.3	-41.7	179.3	0	0	0	0	0	111.9	F163 L201 V205 I209 F221 D222 L226 Q227 I228	F163-A224 HydrophobicContact CE1-CB 4.13Å; F163-A224 HydrophobicContact CZ-CB 3.8Å; L201-A224 HydrophobicContact CD1-CB 3.98Å; L201-A224 HydrophobicContact CD2-CB 3.89Å; V205-A224 HydrophobicContact CG1-CB 3.67Å; I209-A224 HydrophobicContact CD1-CB 3.82Å; F221-A224 CarbonylContact O-C 3.51Å; F221-A224 PolarHBondContact O-N 2.61Å; F221-A224 VanDerWaalsContact O-N 3.07Å; D222-A224 VanDerWaalsContact C-N 3.29Å; D222-A224 PolarHBondContact O-N 2.84Å; A224-L226 VanDerWaalsContact C-N 3.32Å; A224-L226 PolarHBondContact O-N 3.43Å; A224-Q227 PolarHBondContact O-N 3.43Å; A224-I228 WeakPolarHBondContact O-CG1 3.37Å; A224-I228 PolarHBondContact O-N 3.48Å
225	Q	98.4	Very high	96.7	Very high	22 Å²	22	59.3 Å²	59.3	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-45	175.7	-170.9	-174.6	17.3	0	0	110.3	W164 C167 E168 F221 D222 I228 Y229	W164-Q225 VanDerWaalsContact CD1-CG 3.45Å; W164-Q225 HydrophobicContact CG-CG 4.27Å; W164-Q225 PolarHBondContact O-NE2 2.98Å; C167-Q225 HydrophobicContact CB-CB 4Å; C167-Q225 HydrophobicContact CB-CG 3.67Å; E168-Q225 PolarHBondContact OE1-NE2 3.39Å; F221-Q225 WeakPolarHBondContact O-CB 3.44Å; F221-Q225 PolarHBondContact O-N 3.36Å; D222-Q225 PolarHBondContact O-N 3.24Å; Q225-I228 PolarHBondContact O-N 3.46Å; Q225-Y229 VanDerWaalsContact O-CB 3.28Å; Q225-Y229 WeakPolarHBondContact O-CB 3.36Å; Q225-Y229 PolarHBondContact O-N 3Å
226	L	98	Very high	96.9	Very high	108 Å²	108	52.1 Å²	52.1	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-63.2	-41.4	176	179.4	60.8	0	0	0	112.2	D222 A224 Y229 T230	D222-L226 WeakPolarHBondContact O-CB 3.29Å; D222-L226 PolarHBondContact O-N 3.45Å; A224-L226 VanDerWaalsContact C-N 3.32Å; A224-L226 PolarHBondContact O-N 3.43Å; L226-Y229 PolarHBondContact O-N 2.95Å; L226-T230 WeakPolarHBondContact O-CB 3.46Å; L226-T230 PolarHBondContact O-N 2.92Å; L226-T230 PolarHBondContact O-OG1 3.15Å
227	Q	98.3	Very high	97.1	Very high	43 Å²	43	52.2 Å²	52.2	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-48.3	176.6	171.7	154.9	75.2	0	0	111.8	L201 D202 D223 A224 T230 L231	L201-Q227 HydrophobicContact CD2-CB 4.42Å; L201-Q227 HydrophobicContact CD2-CG 4.18Å; D202-Q227 PolarHBondContact OD2-NE2 3.33Å; D223-Q227 WeakPolarHBondContact O-CB 3.38Å; D223-Q227 PolarHBondContact O-N 2.92Å; A224-Q227 PolarHBondContact O-N 3.43Å; Q227-T230 PolarHBondContact O-N 3.05Å; Q227-L231 WeakPolarHBondContact O-CB 3.47Å; Q227-L231 PolarHBondContact O-N 3.09Å
228	I	98.3	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-36.7	178.9	-63.5	-55.2	0	0	0	111.7	N160 F163 V199 S200 L201 A224 Q225 T230 L231 M232	N160-I228 HydrophobicContact CB-CG2 3.61Å; N160-I228 WeakPolarHBondContact O-CG2 3.47Å; F163-I228 HydrophobicContact CD1-CB 4.01Å; F163-I228 HydrophobicContact CD1-CG1 3.7Å; F163-I228 HydrophobicContact CD1-CG2 4.15Å; F163-I228 HydrophobicContact CE1-CB 4.25Å; F163-I228 HydrophobicContact CE1-CG1 3.78Å; V199-I228 HydrophobicContact CB-CD1 3.8Å; V199-I228 HydrophobicContact CB-CG1 4.23Å; V199-I228 HydrophobicContact CG2-CD1 4.09Å; V199-I228 HydrophobicContact CG2-CG1 4.18Å; S200-I228 WeakPolarHBondContact O-CD1 3.4Å; L201-I228 HydrophobicContact CD2-CD1 3.76Å; L201-I228 HydrophobicContact CD2-CG1 3.8Å; A224-I228 WeakPolarHBondContact O-CG1 3.37Å; A224-I228 PolarHBondContact O-N 3.48Å; Q225-I228 PolarHBondContact O-N 3.46Å; I228-T230 VanDerWaalsContact C-N 3.35Å; I228-T230 PolarHBondContact O-N 3.39Å; I228-L231 HydrophobicContact CD1-CD2 4.18Å; I228-L231 WeakPolarHBondContact O-CB 3.45Å; I228-L231 PolarHBondContact O-N 3.11Å; I228-M232 HydrophobicContact CG2-CE 4.25Å; I228-M232 WeakPolarHBondContact O-CG 3.42Å; I228-M232 PolarHBondContact O-N 3.41Å
229	Y	98.3	Very high	97.5	Very high	31 Å²	31	53.3 Å²	53.3	12%	0.122	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-49.1	171.6	-174.4	-93.4	0	0	0	111.4	F135 D136 M139 W164 Q225 L226 L231 M232 Q233	F135-Y229 HydrophobicContact CD1-CD1 4.28Å; F135-Y229 HydrophobicContact CD1-CD2 4.29Å; F135-Y229 AromaticContact CD1-CE1 3.66Å; F135-Y229 HydrophobicContact CD1-CE1 3.66Å; F135-Y229 AromaticContact CD1-CE2 3.68Å; F135-Y229 HydrophobicContact CD1-CE2 3.68Å; F135-Y229 AromaticContact CD1-CZ 3.31Å; F135-Y229 WeakPolarHBondContact CD1-OH 3.34Å; F135-Y229 HydrophobicContact CE1-CD1 4.19Å; F135-Y229 AromaticContact CE1-CD2 3.66Å; F135-Y229 HydrophobicContact CE1-CD2 3.66Å; F135-Y229 AromaticContact CE1-CE1 3.96Å; F135-Y229 HydrophobicContact CE1-CE1 3.96Å; F135-Y229 AromaticContact CE1-CE2 3.4Å; F135-Y229 HydrophobicContact CE1-CE2 3.4Å; F135-Y229 HydrophobicContact CE1-CG 4.05Å; F135-Y229 AromaticContact CE1-CZ 3.56Å; F135-Y229 HydrophobicContact CZ-CE2 4.42Å; D136-Y229 WeakPolarHBondContact CA-OH 3.41Å; D136-Y229 PolarHBondContact OD1-OH 2.64Å; M139-Y229 HydrophobicContact CB-CE2 4.21Å; M139-Y229 HydrophobicContact CE-CD2 4.24Å; M139-Y229 HydrophobicContact CE-CE2 4.14Å; M139-Y229 HydrophobicContact CG-CE2 3.87Å; W164-Y229 AromaticContact CD1-CD2 3.96Å; W164-Y229 AromaticContact NE1-CD2 3.46Å; Q225-Y229 VanDerWaalsContact O-CB 3.28Å; Q225-Y229 WeakPolarHBondContact O-CB 3.36Å; Q225-Y229 PolarHBondContact O-N 3Å; L226-Y229 PolarHBondContact O-N 2.95Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 2.77Å; Y229-M232 PolarHBondContact O-N 2.98Å; Y229-Q233 WeakPolarHBondContact O-CB 3.35Å; Y229-Q233 PolarHBondContact O-N 3.42Å
230	T	97.8	Very high	97.6	Very high	49 Å²	49	47.2 Å²	47.2	30%	0.301	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-38.6	179.7	-56	0	0	0	0	111.5	L226 Q227 I228 Q233 R234	L226-T230 WeakPolarHBondContact O-CB 3.46Å; L226-T230 PolarHBondContact O-N 2.92Å; L226-T230 PolarHBondContact O-OG1 3.15Å; Q227-T230 PolarHBondContact O-N 3.05Å; I228-T230 VanDerWaalsContact C-N 3.35Å; I228-T230 PolarHBondContact O-N 3.39Å; T230-Q233 PolarHBondContact O-N 3.01Å; T230-R234 HydrophobicContact CG2-CG 4.17Å; T230-R234 WeakPolarHBondContact O-CB 3.39Å; T230-R234 VanDerWaalsContact O-CG 3.31Å; T230-R234 WeakPolarHBondContact O-CG 3.26Å; T230-R234 PolarHBondContact O-N 2.9Å
231	L	97.3	Very high	97.6	Very high	64 Å²	64	48.8 Å²	48.8	34%	0.335	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-53.6	174.1	177.1	67.8	0	0	0	110.6	Q227 I228 Y229 Q233 R234 D235	Q227-L231 WeakPolarHBondContact O-CB 3.47Å; Q227-L231 PolarHBondContact O-N 3.09Å; I228-L231 HydrophobicContact CD1-CD2 4.18Å; I228-L231 WeakPolarHBondContact O-CB 3.45Å; I228-L231 PolarHBondContact O-N 3.11Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 2.77Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 3.04Å; L231-R234 PolarHBondContact O-N 2.8Å; L231-D235 VanDerWaalsContact O-CB 3.28Å; L231-D235 WeakPolarHBondContact O-CB 3.48Å; L231-D235 PolarHBondContact O-N 3.22Å
232	M	98.1	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-60.7	-42.8	178	-70.2	-171.3	-65	0	0	111.9	F135 M139 F148 L152 N160 M161 W164 I228 Y229 R234 S236 Y237	F135-M232 HydrophobicContact CE1-CB 4.31Å; F135-M232 HydrophobicContact CZ-CB 3.75Å; F135-M232 HydrophobicContact CZ-CE 4.37Å; M139-M232 HydrophobicContact CE-CE 4.3Å; F148-M232 HydrophobicContact CE1-CB 4.09Å; F148-M232 HydrophobicContact CE1-CG 4.37Å; F148-M232 HydrophobicContact CE1-SD 3.9Å; F148-M232 HydrophobicContact CZ-CB 4.18Å; L152-M232 HydrophobicContact CD1-SD 3.96Å; N160-M232 HydrophobicContact CB-CG 3.81Å; N160-M232 HydrophobicContact CB-SD 3.68Å; M161-M232 HydrophobicContact CB-SD 4.18Å; M161-M232 HydrophobicContact SD-CE 4.37Å; M161-M232 HydrophobicContact SD-SD 4.41Å; W164-M232 HydrophobicContact CB-CE 4.08Å; W164-M232 HydrophobicContact CG-CE 4.32Å; I228-M232 HydrophobicContact CG2-CE 4.25Å; I228-M232 WeakPolarHBondContact O-CG 3.42Å; I228-M232 PolarHBondContact O-N 3.41Å; Y229-M232 PolarHBondContact O-N 2.98Å; M232-R234 PolarHBondContact O-N 3.38Å; M232-S236 PolarHBondContact O-N 3.23Å; M232-Y237 VanDerWaalsContact O-CB 3.3Å; M232-Y237 WeakPolarHBondContact O-CB 3.49Å; M232-Y237 PolarHBondContact O-N 2.95Å
233	Q	98	Very high	97.3	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.313	26%	0.256	S	S	.	.	I	π-helix	trans	-62.5	-41.3	-179.4	-175.8	176.9	29.6	0	0	112.9	F135 Y229 T230 L231 P238	F135-Q233 HydrophobicContact CB-CB 4.39Å; F135-Q233 HydrophobicContact CB-CG 3.77Å; F135-Q233 HydrophobicContact CD1-CB 3.49Å; F135-Q233 VanDerWaalsContact CD1-CB 3.49Å; F135-Q233 HydrophobicContact CD1-CG 3.77Å; F135-Q233 HydrophobicContact CE1-CB 3.89Å; F135-Q233 HydrophobicContact CG-CB 4Å; F135-Q233 HydrophobicContact CG-CG 3.95Å; Y229-Q233 WeakPolarHBondContact O-CB 3.35Å; Y229-Q233 PolarHBondContact O-N 3.42Å; T230-Q233 PolarHBondContact O-N 3.01Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 3.04Å; Q233-P238 WeakPolarHBondContact O-CD 3.4Å
234	R	97.3	Very high	96.9	Very high	186 Å²	186	53 Å²	53	70%	0.702	26%	0.26	S	S	*	.	I	π-helix	trans	-86.6	-27.1	-173.8	-68.4	-175.4	68.5	177.9	-0.1	113.2	T230 L231 M232	T230-R234 HydrophobicContact CG2-CG 4.17Å; T230-R234 WeakPolarHBondContact O-CB 3.39Å; T230-R234 VanDerWaalsContact O-CG 3.31Å; T230-R234 WeakPolarHBondContact O-CG 3.26Å; T230-R234 PolarHBondContact O-N 2.9Å; L231-R234 PolarHBondContact O-N 2.8Å; M232-R234 PolarHBondContact O-N 3.38Å
235	D	96.6	Very high	96.4	Very high	75 Å²	75	55 Å²	55	40%	0.401	28%	0.276	S	S	.	.	I	π-helix	trans	-111.3	-69.5	-171.5	-173.1	57.4	0	0	0	112	L231 P238 R239	L231-D235 VanDerWaalsContact O-CB 3.28Å; L231-D235 WeakPolarHBondContact O-CB 3.48Å; L231-D235 PolarHBondContact O-N 3.22Å; D235-P238 WeakPolarHBondContact O-CD 3.17Å; D235-R239 PolarHBondContact O-NH1 3.35Å; D235-R239 IonicContact OD1-CZ 3.92Å; D235-R239 IonicContact OD1-NH1 3.86Å; D235-R239 PolarHBondContact OD1-NH1 3.06Å; D235-R239 IonicContact OD1-NH2 3.47Å; D235-R239 IonicContact OD2-CZ 2.85Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NH1 3.93Å; D235-R239 PolarHBondContact OD2-NH1 3.11Å; D235-R239 IonicContact OD2-NH2 3.76Å; D235-R239 PolarHBondContact OD2-NH2 2.67Å
236	S	96.9	Very high	96.1	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.021	28%	0.275	C	S	.	.	I	π-helix	trans	-71.3	-35.5	-173.4	-48.9	0	0	0	0	113.5	F151 L152 M232 R239 Y240	F151-S236 WeakPolarHBondContact CE1-O 3.08Å; L152-S236 VanDerWaalsContact CD2-CB 3.45Å; M232-S236 PolarHBondContact O-N 3.23Å; S236-R239 PolarHBondContact O-N 3.42Å; S236-Y240 WeakPolarHBondContact O-CB 3.25Å; S236-Y240 PolarHBondContact O-N 3.46Å
237	Y	97.8	Very high	95.8	Very high	20 Å²	20	54.5 Å²	54.5	8%	0.078	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-47.2	-175.8	169.8	-112.5	0	0	0	113.5	W131 S134 F135 L138 M232 R239 Y240 L241	W131-Y237 WeakPolarHBondContact O-CE2 3.38Å; W131-Y237 PolarHBondContact O-OH 3.1Å; S134-Y237 VanDerWaalsContact C-OH 3.24Å; F135-Y237 HydrophobicContact CB-CD1 3.94Å; F135-Y237 HydrophobicContact CB-CD2 4.5Å; F135-Y237 HydrophobicContact CB-CE1 3.95Å; F135-Y237 HydrophobicContact CB-CE2 4.48Å; F135-Y237 HydrophobicContact CB-CG 4.21Å; F135-Y237 HydrophobicContact CD2-CD1 4.1Å; F135-Y237 AromaticContact CD2-CD2 3.5Å; F135-Y237 HydrophobicContact CD2-CD2 3.5Å; F135-Y237 HydrophobicContact CD2-CE2 4.08Å; F135-Y237 AromaticContact CD2-CG 3.49Å; F135-Y237 HydrophobicContact CD2-CG 3.49Å; F135-Y237 VanDerWaalsContact CD2-CG 3.49Å; F135-Y237 HydrophobicContact CE2-CD2 4.21Å; F135-Y237 HydrophobicContact CE2-CG 4.22Å; F135-Y237 HydrophobicContact CG-CD1 4.35Å; F135-Y237 HydrophobicContact CG-CD2 4.44Å; F135-Y237 HydrophobicContact CG-CG 4.18Å; L138-Y237 HydrophobicContact CB-CE2 4.42Å; L138-Y237 HydrophobicContact CD2-CD2 3.61Å; L138-Y237 HydrophobicContact CD2-CE2 3.72Å; M232-Y237 VanDerWaalsContact O-CB 3.3Å; M232-Y237 WeakPolarHBondContact O-CB 3.49Å; M232-Y237 PolarHBondContact O-N 2.95Å; Y237-R239 PolarHBondContact O-N 3.22Å; Y237-Y240 HydrophobicContact CD2-CD1 4.28Å; Y237-Y240 WeakPolarHBondContact O-CB 3.5Å; Y237-Y240 PolarHBondContact O-N 3.24Å; Y237-Y240 VanDerWaalsContact O-N 3.12Å; Y237-L241 HydrophobicContact CD2-CG 4.3Å; Y237-L241 HydrophobicContact CE1-CD1 3.99Å; Y237-L241 HydrophobicContact CE2-CD1 4.01Å; Y237-L241 HydrophobicContact CE2-CD2 3.82Å; Y237-L241 HydrophobicContact CE2-CG 3.89Å; Y237-L241 PolarHBondContact O-N 3.49Å
238	P	97.4	Very high	95.3	Very high	55 Å²	55	56.3 Å²	56.3	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-36.4	172.1	-27.1	34.7	0	0	0	113.2	Q233 D235 N242	Q233-P238 WeakPolarHBondContact O-CD 3.4Å; D235-P238 WeakPolarHBondContact O-CD 3.17Å; P238-N242 PolarHBondContact O-N 3.02Å; P238-N242 PolarHBondContact O-ND2 3.19Å
239	R	97.5	Very high	94.8	Very high	90 Å²	90	59.5 Å²	59.5	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-39.9	174.8	-68.5	-164.9	-61.7	-83.4	0.8	112.3	F151 E155 D235 S236 Y237 L241 N242 S243	F151-R239 HydrophobicContact CE1-CB 4.39Å; F151-R239 HydrophobicContact CZ-CB 3.73Å; E155-R239 IonicContact OE1-NE 3.74Å; E155-R239 PolarHBondContact OE1-NE 3.1Å; E155-R239 IonicContact OE2-CZ 2.78Å; E155-R239 IonicContact OE2-NE 3.78Å; E155-R239 PolarHBondContact OE2-NE 3.12Å; E155-R239 IonicContact OE2-NH2 2.79Å; E155-R239 PolarHBondContact OE2-NH2 3.24Å; D235-R239 PolarHBondContact O-NH1 3.35Å; D235-R239 IonicContact OD1-CZ 3.92Å; D235-R239 IonicContact OD1-NH1 3.86Å; D235-R239 PolarHBondContact OD1-NH1 3.06Å; D235-R239 IonicContact OD1-NH2 3.47Å; D235-R239 IonicContact OD2-CZ 2.85Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NH1 3.93Å; D235-R239 PolarHBondContact OD2-NH1 3.11Å; D235-R239 IonicContact OD2-NH2 3.76Å; D235-R239 PolarHBondContact OD2-NH2 2.67Å; S236-R239 PolarHBondContact O-N 3.42Å; Y237-R239 PolarHBondContact O-N 3.22Å; R239-L241 VanDerWaalsContact C-N 3.35Å; R239-L241 PolarHBondContact O-N 3.29Å; R239-N242 CarbonylContact O-C 3.42Å; R239-N242 PolarHBondContact O-N 3.09Å; R239-N242 VanDerWaalsContact O-N 3.08Å; R239-S243 PolarHBondContact O-N 3.44Å
240	Y	97	Very high	94.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-48.4	174.3	167.6	-108	0	0	0	111.5	L138 S147 F148 F151 S236 Y237 N242 S243 Y246	L138-Y240 HydrophobicContact CD1-CE1 3.91Å; L138-Y240 HydrophobicContact CD2-CD1 4.15Å; L138-Y240 HydrophobicContact CD2-CE1 4.05Å; S147-Y240 WeakPolarHBondContact CB-OH 3.39Å; S147-Y240 PolarHBondContact OG-OH 3Å; F148-Y240 AromaticContact CD2-CD1 3.95Å; F148-Y240 HydrophobicContact CD2-CD1 3.95Å; F148-Y240 AromaticContact CD2-CD2 3.96Å; F148-Y240 HydrophobicContact CD2-CD2 3.96Å; F148-Y240 AromaticContact CD2-CG 3.6Å; F148-Y240 HydrophobicContact CD2-CG 3.6Å; F148-Y240 HydrophobicContact CE2-CG 4.11Å; F151-Y240 HydrophobicContact CB-CD2 3.55Å; F151-Y240 HydrophobicContact CB-CE2 4.13Å; F151-Y240 HydrophobicContact CD1-CD2 4.01Å; F151-Y240 HydrophobicContact CD1-CG 4.27Å; F151-Y240 HydrophobicContact CD2-CD2 4.24Å; F151-Y240 AromaticContact CG-CD2 3.66Å; F151-Y240 HydrophobicContact CG-CD2 3.66Å; F151-Y240 HydrophobicContact CG-CG 4.34Å; S236-Y240 WeakPolarHBondContact O-CB 3.25Å; S236-Y240 PolarHBondContact O-N 3.46Å; Y237-Y240 HydrophobicContact CD2-CD1 4.28Å; Y237-Y240 WeakPolarHBondContact O-CB 3.5Å; Y237-Y240 PolarHBondContact O-N 3.24Å; Y237-Y240 VanDerWaalsContact O-N 3.12Å; Y240-N242 PolarHBondContact O-N 2.86Å; Y240-S243 VanDerWaalsContact O-CB 3.25Å; Y240-S243 WeakPolarHBondContact O-CB 3.5Å; Y240-S243 PolarHBondContact O-N 2.96Å; Y240-S243 PolarHBondContact O-OG 2.8Å; Y240-Y246 HydrophobicContact CD1-CD2 4.47Å; Y240-Y246 AromaticContact CE1-CD2 3.61Å; Y240-Y246 HydrophobicContact CE1-CD2 3.61Å; Y240-Y246 HydrophobicContact CE1-CE2 4.34Å; Y240-Y246 HydrophobicContact CE1-CG 4.14Å; Y240-Y246 AromaticContact CZ-CD2 3.74Å; Y240-Y246 WeakPolarHBondContact O-CB 3.39Å
241	L	95.8	Very high	93.4	Very high	39 Å²	39	64.4 Å²	64.4	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-28.4	178.3	-63.7	-175.6	0	0	0	113.1	Y237 R239 Y246	Y237-L241 HydrophobicContact CD2-CG 4.3Å; Y237-L241 HydrophobicContact CE1-CD1 3.99Å; Y237-L241 HydrophobicContact CE2-CD1 4.01Å; Y237-L241 HydrophobicContact CE2-CD2 3.82Å; Y237-L241 HydrophobicContact CE2-CG 3.89Å; Y237-L241 PolarHBondContact O-N 3.49Å; R239-L241 VanDerWaalsContact C-N 3.35Å; R239-L241 PolarHBondContact O-N 3.29Å; L241-Y246 HydrophobicContact CB-CD1 4.41Å; L241-Y246 HydrophobicContact CD2-CD1 4.05Å; L241-Y246 HydrophobicContact CD2-CD2 4.19Å; L241-Y246 HydrophobicContact CD2-CE1 3.79Å; L241-Y246 HydrophobicContact CD2-CE2 3.98Å; L241-Y246 HydrophobicContact CD2-CG 4.22Å; L241-Y246 VanDerWaalsContact O-CD1 3.29Å; L241-Y246 WeakPolarHBondContact O-CD1 3.2Å
242	N	94.6	Very high	91.6	Very high	113 Å²	113	65.5 Å²	65.5	60%	0.604	33%	0.328	S	S	*	.	H	α-helix	trans	-86.9	-11.8	176.4	-74.4	-56.7	0	0	0	113.7	P238 R239 Y240 K247	P238-N242 PolarHBondContact O-N 3.02Å; P238-N242 PolarHBondContact O-ND2 3.19Å; R239-N242 CarbonylContact O-C 3.42Å; R239-N242 PolarHBondContact O-N 3.09Å; R239-N242 VanDerWaalsContact O-N 3.08Å; Y240-N242 PolarHBondContact O-N 2.86Å; N242-K247 VanDerWaalsContact O-CE 3.29Å; N242-K247 WeakPolarHBondContact O-CE 3.16Å; N242-K247 PolarHBondContact O-NZ 2.77Å
243	S	94.3	Very high	89.6	Confident	19 Å²	19	74.7 Å²	74.7	13%	0.133	38%	0.376	C	S	.	.	S	Bend	trans	-73	158.6	-175.7	78.8	0	0	0	0	113.1	R239 Y240 A245 Y246 K247	R239-S243 PolarHBondContact O-N 3.44Å; Y240-S243 VanDerWaalsContact O-CB 3.25Å; Y240-S243 WeakPolarHBondContact O-CB 3.5Å; Y240-S243 PolarHBondContact O-N 2.96Å; Y240-S243 PolarHBondContact O-OG 2.8Å; S243-A245 PolarHBondContact O-N 3.43Å; S243-A245 PolarHBondContact OG-N 2.87Å; S243-Y246 PolarHBondContact OG-N 2.97Å; S243-K247 WeakPolarHBondContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.04Å; S243-K247 VanDerWaalsContact O-N 3.12Å
244	L	90.3	Very high	87.1	Confident	128 Å²	128	75.3 Å²	75.3	67%	0.67	39%	0.387	S	S	*	.	H	α-helix	trans	-61.8	-31.8	169.9	-80.4	151.4	0	0	0	112.1	Y246 K247 N248	L244-Y246 PolarHBondContact O-N 3.45Å; L244-K247 PolarHBondContact O-N 2.9Å; L244-N248 VanDerWaalsContact O-CB 3.27Å; L244-N248 WeakPolarHBondContact O-CB 3.34Å; L244-N248 PolarHBondContact O-N 2.93Å; L244-N248 PolarHBondContact O-ND2 3.48Å
245	A	87.8	Confident	84.6	Confident	42 Å²	42	75.3 Å²	75.3	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-49.7	-180	0	0	0	0	0	111	S243 L249	S243-A245 PolarHBondContact O-N 3.43Å; S243-A245 PolarHBondContact OG-N 2.87Å; A245-L249 WeakPolarHBondContact O-CG 3.39Å
246	Y	91.4	Very high	81.9	Confident	18 Å²	18	81.1 Å²	81.1	7%	0.071	42%	0.42	C	S	.	.	H	α-helix	trans	-71.5	-43.8	176.9	-179.4	-107.8	0	0	0	112.4	V128 W131 G132 Y240 L241 S243 L244 N248 L249 L250	V128-Y246 HydrophobicContact CG1-CD2 4.19Å; V128-Y246 HydrophobicContact CG1-CE2 3.7Å; V128-Y246 WeakPolarHBondContact O-CE2 3.25Å; V128-Y246 PolarHBondContact O-OH 3.35Å; W131-Y246 HydrophobicContact CB-CE2 4.3Å; G132-Y246 WeakPolarHBondContact CA-OH 3.2Å; G132-Y246 PolarHBondContact N-OH 2.93Å; Y240-Y246 HydrophobicContact CD1-CD2 4.47Å; Y240-Y246 AromaticContact CE1-CD2 3.61Å; Y240-Y246 HydrophobicContact CE1-CD2 3.61Å; Y240-Y246 HydrophobicContact CE1-CE2 4.34Å; Y240-Y246 HydrophobicContact CE1-CG 4.14Å; Y240-Y246 AromaticContact CZ-CD2 3.74Å; Y240-Y246 WeakPolarHBondContact O-CB 3.39Å; L241-Y246 HydrophobicContact CB-CD1 4.41Å; L241-Y246 HydrophobicContact CD2-CD1 4.05Å; L241-Y246 HydrophobicContact CD2-CD2 4.19Å; L241-Y246 HydrophobicContact CD2-CE1 3.79Å; L241-Y246 HydrophobicContact CD2-CE2 3.98Å; L241-Y246 HydrophobicContact CD2-CG 4.22Å; L241-Y246 VanDerWaalsContact O-CD1 3.29Å; L241-Y246 WeakPolarHBondContact O-CD1 3.2Å; S243-Y246 PolarHBondContact OG-N 2.97Å; L244-Y246 PolarHBondContact O-N 3.45Å; Y246-N248 VanDerWaalsContact C-N 3.29Å; Y246-N248 PolarHBondContact O-N 3.28Å; Y246-L249 WeakPolarHBondContact O-CB 3.45Å; Y246-L249 PolarHBondContact O-N 3.36Å; Y246-L249 VanDerWaalsContact O-N 3.09Å; Y246-L250 HydrophobicContact CD1-CD1 3.97Å; Y246-L250 HydrophobicContact CE1-CD1 3.41Å; Y246-L250 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L250 HydrophobicContact CE1-CG 4.2Å; Y246-L250 PolarHBondContact O-N 3.39Å
247	K	91.1	Very high	79.1	Confident	102 Å²	102	85.8 Å²	85.8	44%	0.443	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-34.6	-179.3	-74	170.4	176.4	164	0	113.3	N242 S243 L244 L249 L250 K251	N242-K247 VanDerWaalsContact O-CE 3.29Å; N242-K247 WeakPolarHBondContact O-CE 3.16Å; N242-K247 PolarHBondContact O-NZ 2.77Å; S243-K247 WeakPolarHBondContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.04Å; S243-K247 VanDerWaalsContact O-N 3.12Å; L244-K247 PolarHBondContact O-N 2.9Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L250 PolarHBondContact O-N 3.45Å; K247-K251 PolarHBondContact O-N 3.44Å
248	N	88.9	Confident	76.7	Confident	82 Å²	82	90.5 Å²	90.5	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-70.1	-30	177.1	-73.8	-21.4	0	0	0	112.5	L244 Y246 L250 K251	L244-N248 VanDerWaalsContact O-CB 3.27Å; L244-N248 WeakPolarHBondContact O-CB 3.34Å; L244-N248 PolarHBondContact O-N 2.93Å; L244-N248 PolarHBondContact O-ND2 3.48Å; Y246-N248 VanDerWaalsContact C-N 3.29Å; Y246-N248 PolarHBondContact O-N 3.28Å; N248-L250 VanDerWaalsContact C-N 3.27Å; N248-L250 PolarHBondContact O-N 3.3Å; N248-K251 PolarHBondContact O-N 3.05Å; N248-K251 PolarHBondContact OD1-NZ 3.23Å
249	L	86.8	Confident	74.2	Confident	67 Å²	67	97 Å²	97	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-70.5	-25	173.8	-63	172.7	0	0	0	112.7	V128 W131 S147 A245 Y246 K247	V128-L249 HydrophobicContact CG1-CB 3.71Å; V128-L249 HydrophobicContact CG2-CB 4.15Å; W131-L249 HydrophobicContact CZ3-CD1 3.97Å; S147-L249 VanDerWaalsContact OG-CD1 3.27Å; S147-L249 WeakPolarHBondContact OG-CD1 3.47Å; A245-L249 WeakPolarHBondContact O-CG 3.39Å; Y246-L249 WeakPolarHBondContact O-CB 3.45Å; Y246-L249 PolarHBondContact O-N 3.36Å; Y246-L249 VanDerWaalsContact O-N 3.09Å; K247-L249 VanDerWaalsContact C-N 3.33Å
250	L	84.8	Confident	71.7	Confident	56 Å²	56	101.9 Å²	101.9	29%	0.293	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	-10.8	176.1	-70.7	176.8	0	0	0	113.7	L125 V128 R129 Y246 K247 N248	L125-L250 HydrophobicContact CD1-CD2 4.14Å; L125-L250 WeakPolarHBondContact CD1-O 3.32Å; V128-L250 HydrophobicContact CB-CD2 4.15Å; V128-L250 HydrophobicContact CG1-CD2 3.58Å; V128-L250 HydrophobicContact CG1-CG 3.92Å; R129-L250 HydrophobicContact CG-CD2 3.82Å; Y246-L250 HydrophobicContact CD1-CD1 3.97Å; Y246-L250 HydrophobicContact CE1-CD1 3.41Å; Y246-L250 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L250 HydrophobicContact CE1-CG 4.2Å; Y246-L250 PolarHBondContact O-N 3.39Å; K247-L250 PolarHBondContact O-N 3.45Å; N248-L250 VanDerWaalsContact C-N 3.27Å; N248-L250 PolarHBondContact O-N 3.3Å
251	K	81.6	Confident	70.5	Confident	126 Å²	126	107 Å²	107	55%	0.548	59%	0.587	S	S	.	*	S	Bend	trans	-75.6	132.3	175.7	-71.8	174	-176.6	167.9	0	108.6	K247 N248 L253	K247-K251 PolarHBondContact O-N 3.44Å; N248-K251 PolarHBondContact O-N 3.05Å; N248-K251 PolarHBondContact OD1-NZ 3.23Å; K251-L253 PolarHBondContact O-N 3.05Å
252	P	60.7	Low	69.2	Low	87 Å²	87	110.5 Å²	110.5	57%	0.565	61%	0.607	S	S	*	*			trans	-55.9	142.8	166.8	-16.2	28.1	0	0	0	109.1	S254	P252-S254 PolarHBondContact O-N 3.4Å
253	L	54.6	Low	67.7	Low	193 Å²	193	110.4 Å²	110.4	100%	1.01	61%	0.608	S	S	*	*	S	Bend	trans	-65.5	62.5	162.8	-70.4	166.9	0	0	0	109.3	K251	K251-L253 PolarHBondContact O-N 3.05Å
254	S	46.1	Very low	66.2	Low	80 Å²	80	115.8 Å²	115.8	56%	0.559	64%	0.635	S	S	*	*			trans	-119.9	85.4	176.4	62.4	0	0	0	0	107.9	P252	P252-S254 PolarHBondContact O-N 3.4Å
255	E	44.9	Very low	64.7	Low	186 Å²	186	115 Å²	115	87%	0.869	63%	0.633	S	S	*	*			trans	168.4	68.7	147.6	-91.7	163.7	-160	0	0	108.8	S257	E255-S257 VanDerWaalsContact C-N 3.34Å
256	Q	40.3	Very low	63.1	Low	198 Å²	198	119.9 Å²	119.9	93%	0.925	65%	0.652	S	S	*	*			trans	-90.3	88.6	138.6	-73.7	-175.4	13.1	0	0	105.1	P258	Q256-P258 WeakPolarHBondContact O-CD 3.47Å
257	S	37.9	Very low	61.1	Low	101 Å²	101	127.1 Å²	127.1	71%	0.706	69%	0.694	S	S	*	*			trans	-66.2	124.7	166.5	-167.1	0	0	0	0	107.1	E255 E259	E255-S257 VanDerWaalsContact C-N 3.34Å; S257-E259 PolarHBondContact O-N 3.49Å; S257-E259 VanDerWaalsContact O-N 3.15Å
258	P	46.2	Very low	58.8	Low	119 Å²	119	129.1 Å²	129.1	77%	0.773	71%	0.713	S	S	*	*			trans	-67.4	114.4	164.6	27.9	-27.6	0	0	0	106.4	Q256	Q256-P258 WeakPolarHBondContact O-CD 3.47Å
259	E	45	Very low	56.3	Low	192 Å²	192	133 Å²	133	90%	0.897	74%	0.736	S	S	*	*			trans	-64.1	143.4	170.1	-150.2	171.4	160.7	0	0	108.8	S257	S257-E259 PolarHBondContact O-N 3.49Å; S257-E259 VanDerWaalsContact O-N 3.15Å
260	S	46.8	Very low	53.5	Low	191 Å²	191	139 Å²	139	100%	1.336	77%	0.771	S	S	*	*			trans	-63.6	0	-159.5	-52.6	0	0	0	0	115.7

Retrieved 260 of 260 residues in 65.3 ms (Link to these results)

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