Z4YNJ9_RAT Loading...

Stearoyl-coenzyme A desaturase 3

AlphaFold DB , UniProt , Accession Z4YNJ9, Species RAT (Rattus norvegicus, Rat), Gene Scd3, Length 359 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	33.1	Very low	32.1	Very low	35 Å²	35	128.7 Å²	128.7	17%	0.172	67%	0.67	C	S	.	*				0	105.7	0	-83.4	-156.6	-91.5	0	0	108.4	G3 N75 M79 N148 L186	M1-G3 PolarHBondContact O-N 3.27Å; M1-N75 HydrophobicContact CE-CB 3.68Å; M1-N75 VanDerWaalsContact SD-CA 3.54Å; M1-N75 HydrophobicContact SD-CB 3.51Å; M1-N75 VanDerWaalsContact SD-CB 3.51Å; M1-M79 HydrophobicContact CE-CB 4.35Å; M1-M79 HydrophobicContact CE-CE 3.4Å; M1-M79 HydrophobicContact CE-SD 4.46Å; M1-N148 PolarHBondContact N-OD1 2.96Å; M1-N148 PolarHBondContact O-OD1 3.23Å; M1-L186 HydrophobicContact CE-CD2 4.42Å
2	P	34.5	Very low	32.2	Very low	49 Å²	49	127.7 Å²	127.7	32%	0.318	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-85.5	118.1	178.2	10.7	5.5	0	0	0	110	H4	P2-H4 PolarHBondContact O-N 3.03Å
3	G	31.9	Very low	32.3	Very low	44 Å²	44	126.8 Å²	126.8	45%	0.454	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-61.6	119.8	161.4	0	0	0	0	0	109	M1 L5	M1-G3 PolarHBondContact O-N 3.27Å; G3-L5 PolarHBondContact O-N 3.22Å
4	H	39.4	Very low	32.3	Very low	116 Å²	116	132.9 Å²	132.9	54%	0.537	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-53	131.4	179.8	-83.4	-102.8	0	0	0	113.5	P2 R74	P2-H4 PolarHBondContact O-N 3.03Å; H4-R74 PolarHBondContact NE2-NH1 3.21Å
5	L	31.3	Very low	32.3	Very low	132 Å²	132	133.3 Å²	133.3	69%	0.691	71%	0.709	S	S	*	*			trans	14.8	116.9	134.4	-71	156	0	0	0	117.3	G3	G3-L5 PolarHBondContact O-N 3.22Å
6	L	31.1	Very low	32.2	Very low	186 Å²	186	133.1 Å²	133.1	97%	0.974	71%	0.714	S	S	*	*				-141.5	134.1	126.6	-81.8	174.9	0	0	0	107.8
7	Q	28.9	Very low	32.4	Very low	159 Å²	159	133.4 Å²	133.4	74%	0.743	72%	0.722	S	S	*	*			trans	-116	120.2	-175.8	175.2	177.4	-6.4	0	0	105.3
8	E	33.4	Very low	32.4	Very low	201 Å²	201	131.4 Å²	131.4	94%	0.939	72%	0.72	S	S	*	*			trans	-138.9	125.4	164.2	-92.2	-177.8	172.5	0	0	108.9
9	E	27.1	Very low	32.6	Very low	177 Å²	177	131.7 Å²	131.7	83%	0.827	73%	0.726	S	S	*	*			trans	-82	134.4	175	-67.2	172.9	142.5	0	0	109.6
10	M	33.3	Very low	32.9	Very low	186 Å²	186	132.8 Å²	132.8	92%	0.916	73%	0.729	S	S	*	*			trans	-144	123.7	152.9	-74.7	-168.3	68.6	0	0	111
11	T	29.2	Very low	33.4	Very low	131 Å²	131	133 Å²	133	80%	0.804	74%	0.735	S	S	*	*			trans	-63.7	151.7	174.4	37	0	0	0	0	114
12	P	33.1	Very low	33.8	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	77%	0.766	S	S	*	*			trans	-90.4	139.7	179.3	34.6	-30.2	0	0	0	112.8
13	S	33.1	Very low	34	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	79%	0.789	S	S	*	*			trans	-106.5	125.5	166.5	64.2	0	0	0	0	110.9
14	Y	32.3	Very low	34.7	Very low	212 Å²	212	147.2 Å²	147.2	83%	0.831	81%	0.806	S	S	*	*			trans	-72.2	144	173.5	-70.6	-96.3	0	0	0	111.8
15	T	33.2	Very low	34.6	Very low	139 Å²	139	147.6 Å²	147.6	85%	0.853	82%	0.822	S	S	*	*			trans	-150.1	125.9	146.2	-40.9	0	0	0	0	110.6
16	T	30.4	Very low	34.8	Very low	130 Å²	130	144.7 Å²	144.7	80%	0.798	82%	0.823	S	S	*	*			trans	-86	140.5	-179.2	-14.3	0	0	0	0	110.4
17	T	35.7	Very low	35.1	Very low	138 Å²	138	142.6 Å²	142.6	85%	0.847	82%	0.818	S	S	*	*			trans	-150.7	124	147.5	-43.8	0	0	0	0	110.4
18	S	32.5	Very low	35.2	Very low	98 Å²	98	143 Å²	143	69%	0.685	82%	0.822	S	S	*	*			trans	-81.2	146.8	179.6	50.2	0	0	0	0	112.6
19	T	36.4	Very low	35.4	Very low	137 Å²	137	141 Å²	141	84%	0.84	81%	0.813	S	S	*	*			trans	-154.1	122	139.1	-24.4	0	0	0	0	110.8
20	I	38.1	Very low	35.9	Very low	153 Å²	153	141.2 Å²	141.2	79%	0.785	81%	0.811	S	S	*	*			trans	-98.4	134.3	171.9	-67.7	168.5	0	0	0	106.7
21	T	44.2	Very low	35.8	Very low	138 Å²	138	136 Å²	136	85%	0.847	81%	0.805	S	S	*	*			trans	-141.8	122.8	159	31.1	0	0	0	0	109.4
22	E	40.5	Very low	36.1	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	81%	0.807	S	S	*	*			trans	-71.6	159.3	175.5	-69.1	178.8	144	0	0	112.7
23	P	38.2	Very low	36.3	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	81%	0.811	S	S	*	*			trans	-98.1	158.4	179.8	37.9	-31	0	0	0	112.7
24	P	47.4	Very low	36.1	Very low	124 Å²	124	146.5 Å²	146.5	81%	0.805	82%	0.816	S	S	*	*			trans	-109.9	143.5	162.6	29.5	-14.9	0	0	0	113.7
25	S	36.6	Very low	36.2	Very low	124 Å²	124	143.6 Å²	143.6	87%	0.867	81%	0.814	S	S	*	*			trans	-58.2	150.9	173.7	51.2	0	0	0	0	115.8
26	G	37.3	Very low	36.1	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	81%	0.814	S	S	*	*			trans	176.5	93	162.2	0	0	0	0	0	118.4
27	V	36.1	Very low	36.3	Very low	142 Å²	142	146 Å²	146	86%	0.861	81%	0.811	S	S	*	*			trans	67.7	115.2	136.2	-169.7	0	0	0	0	122.1
28	M	31.5	Very low	36.1	Very low	169 Å²	169	145.6 Å²	145.6	83%	0.833	80%	0.804	S	S	*	*			trans	9	131.8	143.6	-68.5	167.8	63.1	0	0	120.9
29	Q	38.1	Very low	36.2	Very low	158 Å²	158	146.1 Å²	146.1	74%	0.738	80%	0.804	S	S	*	*				-177.1	134.3	108.4	-99.9	-177.5	21.1	0	0	114.8
30	K	37.3	Very low	36.2	Very low	181 Å²	181	146.7 Å²	146.7	79%	0.787	80%	0.802	S	S	*	*			trans	61.8	96	141.6	-67.7	176.3	176.8	175.7	0	120.6
31	G	30.8	Very low	36.5	Very low	77 Å²	77	148 Å²	148	79%	0.794	80%	0.798	S	S	*	*				50.8	106.3	116.8	0	0	0	0	0	119.7
32	K	36.5	Very low	36.8	Very low	196 Å²	196	149.5 Å²	149.5	85%	0.852	80%	0.8	S	S	*	*			trans	-159.3	124.1	142.6	-106.3	171	-175.6	-174.8	0	110.2
33	E	35.3	Very low	37.9	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	78%	0.778	S	S	*	*			trans	49.1	108.1	154.1	-70.4	171.7	151.3	0	0	120.3	L35	E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.36Å
34	K	31	Very low	40	Very low	209 Å²	209	145.1 Å²	145.1	91%	0.909	77%	0.769	S	S	*	*			trans	-63.4	89.1	158.6	-78.9	177.8	174	174.8	0	110.1
35	L	33	Very low	42.1	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	75%	0.751	S	S	*	*			trans	-85.8	103.2	150.1	-156.2	81.3	0	0	0	106.6	E33 T37	E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.36Å; L35-T37 PolarHBondContact O-N 2.87Å
36	K	32.3	Very low	44.9	Very low	197 Å²	197	139.2 Å²	139.2	86%	0.857	72%	0.72	S	S	*	*			trans	-62.9	90.2	168.6	-83.3	179.7	173	179.7	0	107.8	L38	K36-L38 PolarHBondContact O-N 3.14Å
37	T	34.5	Very low	47.7	Very low	121 Å²	121	136 Å²	136	74%	0.742	69%	0.687	S	S	*	*			trans	-61.7	105.8	157.1	42.4	0	0	0	0	106.4	L35	L35-T37 PolarHBondContact O-N 2.87Å
38	L	30.5	Very low	50.5	Low	131 Å²	131	133 Å²	133	69%	0.686	67%	0.67	S	S	*	*			trans	-45	136.7	166.4	-136.8	81.6	0	0	0	107.6	K36 L40	K36-L38 PolarHBondContact O-N 3.14Å; L38-L40 PolarHBondContact O-N 2.93Å
39	P	34.5	Very low	53.5	Low	108 Å²	108	129.3 Å²	129.3	70%	0.701	65%	0.65	S	S	*	*			trans	-56.1	123.3	174.3	-10.6	23.9	0	0	0	106.5	Y41	P39-Y41 PolarHBondContact O-N 3.29Å
40	L	37.5	Very low	56.3	Low	150 Å²	150	122.4 Å²	122.4	79%	0.785	62%	0.618	S	S	*	*			trans	-48.5	119.2	160.1	-96.6	93.5	0	0	0	104.9	L38 L42	L38-L40 PolarHBondContact O-N 2.93Å; L40-L42 PolarHBondContact O-N 2.92Å
41	Y	43.9	Very low	59.1	Low	181 Å²	181	120.8 Å²	120.8	71%	0.71	61%	0.607	S	S	*	*			trans	-44.2	111.3	173.6	-76	-95.2	0	0	0	107.2	P39 E43	P39-Y41 PolarHBondContact O-N 3.29Å; Y41-E43 VanDerWaalsContact C-N 3.31Å; Y41-E43 PolarHBondContact O-N 3.47Å
42	L	50.3	Low	62.3	Low	168 Å²	168	119.1 Å²	119.1	88%	0.88	58%	0.579	S	S	*	*			trans	-55.4	106	164.4	-95.5	140.5	0	0	0	104.1	L40 E44	L40-L42 PolarHBondContact O-N 2.92Å; L42-E44 PolarHBondContact O-N 3.19Å
43	E	63.3	Low	65.2	Low	81 Å²	81	109.8 Å²	109.8	38%	0.379	54%	0.538	S	S	.	.			trans	-52.8	117.1	175.8	-74	176	-174	0	0	106.5	Y41 D45 T343 R350	Y41-E43 VanDerWaalsContact C-N 3.31Å; Y41-E43 PolarHBondContact O-N 3.47Å; E43-D45 PolarHBondContact O-N 3.27Å; E43-D45 VanDerWaalsContact O-N 3.09Å; E43-T343 HydrophobicContact CG-CG2 4.46Å; E43-R350 IonicContact OE1-CZ 3.33Å; E43-R350 IonicContact OE1-NH1 2.89Å; E43-R350 PolarHBondContact OE1-NH1 3.39Å; E43-R350 IonicContact OE1-NH2 2.81Å; E43-R350 PolarHBondContact OE1-NH2 2.76Å
44	E	82.4	Confident	68.1	Low	129 Å²	129	104.5 Å²	104.5	60%	0.603	52%	0.515	S	S	*	.			trans	-58	117	-179	-71.8	175.7	157.9	0	0	108.7	L42 I46	L42-E44 PolarHBondContact O-N 3.19Å; E44-I46 HydrophobicContact CB-CG2 4.26Å; E44-I46 PolarHBondContact O-N 3.47Å
45	D	90.8	Very high	71.3	Confident	82 Å²	82	98 Å²	98	44%	0.439	49%	0.488	S	S	.	.			trans	-76.5	89.7	174.4	-173.6	-0.8	0	0	0	109.4	E43 R47 R51	E43-D45 PolarHBondContact O-N 3.27Å; E43-D45 VanDerWaalsContact O-N 3.09Å; D45-R47 VanDerWaalsContact C-N 3.29Å; D45-R47 PolarHBondContact OD1-N 3.28Å; D45-R51 IonicContact OD2-CZ 2.8Å; D45-R51 IonicContact OD2-NE 3.46Å; D45-R51 IonicContact OD2-NH2 2.85Å; D45-R51 PolarHBondContact OD2-NH2 2.76Å
46	I	95.3	Very high	74.3	Confident	43 Å²	43	93 Å²	93	22%	0.221	46%	0.462	C	S	.	.	S	Bend	trans	-79.4	-10.6	-179.5	67.3	175	0	0	0	113.3	E44 Y306 K337 R338 V339	E44-I46 HydrophobicContact CB-CG2 4.26Å; E44-I46 PolarHBondContact O-N 3.47Å; I46-Y306 HydrophobicContact CD1-CD2 3.79Å; I46-Y306 HydrophobicContact CD1-CE2 4.28Å; I46-Y306 HydrophobicContact CG1-CD2 3.71Å; I46-Y306 HydrophobicContact CG1-CE2 4.23Å; I46-K337 HydrophobicContact CD1-CB 4.03Å; I46-K337 HydrophobicContact CG1-CB 4.38Å; I46-K337 WeakPolarHBondContact O-CD 3.26Å; I46-K337 PolarHBondContact O-NZ 3.21Å; I46-R338 WeakPolarHBondContact CD1-O 3.46Å; I46-V339 HydrophobicContact CD1-CG2 4.26Å
47	R	96.8	Very high	77.2	Confident	3 Å²	3	88.2 Å²	88.2	1%	0.011	45%	0.451	C	S	.	.			trans	-137.8	62.9	-177.5	-162.9	-165.3	66.3	-159.6	-9.9	111.9	D45 E49 M50 D53 H125 P305 Y306 K337	D45-R47 VanDerWaalsContact C-N 3.29Å; D45-R47 PolarHBondContact OD1-N 3.28Å; R47-E49 WeakPolarHBondContact CA-OE2 3.29Å; R47-E49 HydrophobicContact CG-CG 4.19Å; R47-E49 PolarHBondContact O-N 3.42Å; R47-M50 VanDerWaalsContact CZ-O 3.29Å; R47-M50 PolarHBondContact NE-O 3.34Å; R47-M50 PolarHBondContact NH2-O 3.36Å; R47-D53 IonicContact CZ-OD1 2.69Å; R47-D53 IonicContact CZ-OD2 2.59Å; R47-D53 VanDerWaalsContact CZ-OD2 3.26Å; R47-D53 IonicContact NH1-OD1 3.65Å; R47-D53 IonicContact NH1-OD2 3.51Å; R47-D53 PolarHBondContact NH1-OD2 3.16Å; R47-D53 IonicContact NH2-OD1 3.68Å; R47-D53 PolarHBondContact NH2-OD1 2.81Å; R47-D53 IonicContact NH2-OD2 3.32Å; R47-D53 PolarHBondContact NH2-OD2 3.28Å; R47-H125 WeakPolarHBondContact CD-O 3.19Å; R47-H125 PolarHBondContact NE-O 2.77Å; R47-H125 PolarHBondContact NH1-O 3.35Å; R47-P305 PolarHBondContact NH1-O 3.49Å; R47-Y306 VanDerWaalsContact NH1-CA 3.3Å; R47-K337 HydrophobicContact CB-CD 3.59Å; R47-K337 HydrophobicContact CG-CD 3.54Å
48	P	95.1	Very high	80.1	Confident	78 Å²	78	87.3 Å²	87.3	51%	0.506	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19	-179	28.8	-36.3	0	0	0	113	M50	P48-M50 PolarHBondContact O-N 3.39Å
49	E	94.4	Very high	83.2	Confident	92 Å²	92	83.2 Å²	83.2	43%	0.43	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	-176	65.1	-102.2	-120.6	0	0	114.9	R47 K129 K337	R47-E49 WeakPolarHBondContact CA-OE2 3.29Å; R47-E49 HydrophobicContact CG-CG 4.19Å; R47-E49 PolarHBondContact O-N 3.42Å; E49-K129 IonicContact OE1-NZ 3.95Å; E49-K129 PolarHBondContact OE1-NZ 3Å; E49-K337 WeakPolarHBondContact OE1-CE 3.27Å; E49-K337 IonicContact OE1-NZ 3.88Å; E49-K337 PolarHBondContact OE1-NZ 2.93Å; E49-K337 IonicContact OE2-NZ 3.44Å
50	M	96.3	Very high	86.1	Confident	13 Å²	13	85.2 Å²	85.2	6%	0.064	43%	0.425	C	S	.	.			trans	-151.8	123.2	-173.4	170.6	57.4	-173.4	0	0	110.9	R47 P48 E52 D53 S124 R126 R158	R47-M50 VanDerWaalsContact CZ-O 3.29Å; R47-M50 PolarHBondContact NE-O 3.34Å; R47-M50 PolarHBondContact NH2-O 3.36Å; P48-M50 PolarHBondContact O-N 3.39Å; M50-E52 HydrophobicContact CE-CB 3.61Å; M50-E52 HydrophobicContact CE-CG 4.42Å; M50-E52 HydrophobicContact SD-CB 4.07Å; M50-E52 HydrophobicContact SD-CG 4.27Å; M50-D53 HydrophobicContact CE-CB 4.19Å; M50-S124 WeakPolarHBondContact CE-O 3.39Å; M50-R126 HydrophobicContact CB-CB 4.12Å; M50-R126 HydrophobicContact CB-CG 4.24Å; M50-R126 HydrophobicContact CG-CB 4.33Å; M50-R126 HydrophobicContact CG-CG 4.23Å; M50-R158 HydrophobicContact CE-CG 3.82Å; M50-R158 VanDerWaalsContact CE-CZ 3.48Å
51	R	96.6	Very high	88.8	Confident	147 Å²	147	80 Å²	80	56%	0.555	40%	0.398	S	S	*	.			trans	-132.7	2.9	-176.7	-62.4	-175.4	173.6	-172.6	-1.5	114.6	D45 D53 I54	D45-R51 IonicContact OD2-CZ 2.8Å; D45-R51 IonicContact OD2-NE 3.46Å; D45-R51 IonicContact OD2-NH2 2.85Å; D45-R51 PolarHBondContact OD2-NH2 2.76Å; R51-D53 PolarHBondContact O-N 3.31Å; R51-I54 HydrophobicContact CB-CG1 4.29Å; R51-I54 PolarHBondContact O-N 3.49Å
52	E	97.4	Very high	90.9	Very high	42 Å²	42	79.5 Å²	79.5	20%	0.196	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.9	-175.1	-59.6	-56.6	146.3	0	0	114.6	M50 K162 L200 D201	M50-E52 HydrophobicContact CE-CB 3.61Å; M50-E52 HydrophobicContact CE-CG 4.42Å; M50-E52 HydrophobicContact SD-CB 4.07Å; M50-E52 HydrophobicContact SD-CG 4.27Å; E52-K162 WeakPolarHBondContact O-CE 3.36Å; E52-K162 IonicContact OE2-NZ 2.94Å; E52-K162 PolarHBondContact OE2-NZ 2.87Å; E52-L200 HydrophobicContact CB-CD2 4.33Å; E52-L200 WeakPolarHBondContact OE2-CD2 3.3Å; E52-D201 HydrophobicContact CG-CB 3.89Å
53	D	97.6	Very high	92.4	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	9.1	176.9	65	-34	0	0	0	112.5	R47 M50 R51 H125 R158 H161	R47-D53 IonicContact CZ-OD1 2.69Å; R47-D53 IonicContact CZ-OD2 2.59Å; R47-D53 VanDerWaalsContact CZ-OD2 3.26Å; R47-D53 IonicContact NH1-OD1 3.65Å; R47-D53 IonicContact NH1-OD2 3.51Å; R47-D53 PolarHBondContact NH1-OD2 3.16Å; R47-D53 IonicContact NH2-OD1 3.68Å; R47-D53 PolarHBondContact NH2-OD1 2.81Å; R47-D53 IonicContact NH2-OD2 3.32Å; R47-D53 PolarHBondContact NH2-OD2 3.28Å; M50-D53 HydrophobicContact CE-CB 4.19Å; R51-D53 PolarHBondContact O-N 3.31Å; D53-H125 IonicContact OD2-CE1 3.22Å; D53-H125 IonicContact OD2-CG 3.57Å; D53-H125 IonicContact OD2-ND1 3.41Å; D53-H125 PolarHBondContact OD2-ND1 3.35Å; D53-R158 HydrophobicContact CB-CG 4.48Å; D53-H161 HydrophobicContact CB-CB 4.11Å; D53-H161 WeakPolarHBondContact O-CB 3.09Å
54	I	97.4	Very high	93.5	Very high	68 Å²	68	80 Å²	80	35%	0.349	41%	0.414	S	S	.	.	S	Bend	trans	-80	127.6	170.6	-56.5	-58.4	0	0	0	108.2	R51 D56 K162 P305 Y306	R51-I54 HydrophobicContact CB-CG1 4.29Å; R51-I54 PolarHBondContact O-N 3.49Å; I54-D56 PolarHBondContact O-N 2.95Å; I54-K162 WeakPolarHBondContact O-CG 3.44Å; I54-P305 HydrophobicContact CD1-CG 4.02Å; I54-Y306 HydrophobicContact CD1-CD1 3.93Å; I54-Y306 HydrophobicContact CD1-CE1 4.15Å
55	H	96.6	Very high	93.8	Very high	73 Å²	73	79.8 Å²	79.8	34%	0.338	42%	0.424	S	S	.	.			trans	-56.5	131.1	177.7	177.9	-124.7	0	0	0	111.7	P57 H161 T164	H55-P57 VanDerWaalsContact O-CD 3.26Å; H55-P57 WeakPolarHBondContact O-CD 3.34Å; H55-H161 WeakPolarHBondContact CA-O 3.42Å; H55-T164 VanDerWaalsContact CD2-CG2 3.43Å; H55-T164 WeakPolarHBondContact CD2-CG2 3.29Å
56	D	96.4	Very high	93.9	Very high	47 Å²	47	79.1 Å²	79.1	25%	0.251	42%	0.424	S	S	.	.			trans	-106.4	92.4	177.4	178.6	9.5	0	0	0	110.1	I54 S58 Y59 K162 F163	I54-D56 PolarHBondContact O-N 2.95Å; D56-S58 PolarHBondContact O-N 3.43Å; D56-S58 VanDerWaalsContact O-N 3.13Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.35Å; D56-S58 PolarHBondContact OD1-N 2.87Å; D56-S58 PolarHBondContact OD1-OG 3.39Å; D56-S58 PolarHBondContact OD2-OG 2.86Å; D56-Y59 PolarHBondContact O-N 3.11Å; D56-K162 HydrophobicContact CB-CD 4.48Å; D56-K162 HydrophobicContact CB-CG 3.79Å; D56-K162 PolarHBondContact N-O 3.47Å; D56-F163 HydrophobicContact CB-CE1 4.47Å
57	P	93.9	Very high	93.8	Very high	96 Å²	96	80.5 Å²	80.5	62%	0.623	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.2	-179.8	30.6	-36.8	0	0	0	113.4	H55	H55-P57 VanDerWaalsContact O-CD 3.26Å; H55-P57 WeakPolarHBondContact O-CD 3.34Å
58	S	95.1	Very high	93.7	Very high	102 Å²	102	89.2 Å²	89.2	71%	0.713	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.5	178.7	78	0	0	0	0	112.8	D56	D56-S58 PolarHBondContact O-N 3.43Å; D56-S58 VanDerWaalsContact O-N 3.13Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.35Å; D56-S58 PolarHBondContact OD1-N 2.87Å; D56-S58 PolarHBondContact OD1-OG 3.39Å; D56-S58 PolarHBondContact OD2-OG 2.86Å
59	Y	95.9	Very high	93.8	Very high	45 Å²	45	89 Å²	89	18%	0.176	47%	0.468	C	S	.	.			trans	-86.3	127.5	176.7	-178.6	-100.2	0	0	0	110.9	D56 F163 T166 A168 K196	D56-Y59 PolarHBondContact O-N 3.11Å; Y59-F163 HydrophobicContact CD1-CB 4Å; Y59-F163 AromaticContact CD1-CD1 3.55Å; Y59-F163 HydrophobicContact CD1-CD1 3.55Å; Y59-F163 HydrophobicContact CD1-CE1 4.4Å; Y59-F163 HydrophobicContact CD1-CG 4.07Å; Y59-F163 HydrophobicContact CE1-CB 4.29Å; Y59-F163 HydrophobicContact CE1-CD1 4.28Å; Y59-F163 HydrophobicContact CE1-CG 4.46Å; Y59-F163 AromaticContact CG-CD1 3.78Å; Y59-F163 HydrophobicContact CG-CD1 3.78Å; Y59-F163 HydrophobicContact CG-CE1 4.24Å; Y59-T166 HydrophobicContact CD1-CG2 4.01Å; Y59-T166 HydrophobicContact CE1-CG2 4.17Å; Y59-T166 WeakPolarHBondContact CE1-OG1 3.22Å; Y59-A168 HydrophobicContact CE1-CB 3.66Å; Y59-K196 HydrophobicContact CD2-CD 4.16Å; Y59-K196 VanDerWaalsContact CD2-CE 3.5Å; Y59-K196 HydrophobicContact CE2-CD 3.66Å; Y59-K196 HydrophobicContact CE2-CG 4.1Å
60	Q	94.2	Very high	94	Very high	150 Å²	150	90.5 Å²	90.5	70%	0.701	48%	0.475	S	S	*	.			trans	-134.1	159.6	174.9	-63	-176.9	-3.6	0	0	109.1
61	D	95.7	Very high	94.1	Very high	40 Å²	40	96.6 Å²	96.6	21%	0.214	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-63.1	137.8	174.5	-69.4	-38.9	0	0	0	110.8	T166 H167 R174	D61-T166 WeakPolarHBondContact OD1-CB 3.46Å; D61-T166 WeakPolarHBondContact OD2-CA 3.44Å; D61-H167 WeakPolarHBondContact OD1-CA 3.43Å; D61-H167 WeakPolarHBondContact OD1-CB 3.33Å; D61-H167 IonicContact OD1-CG 2.68Å; D61-H167 VanDerWaalsContact OD1-CG 3.29Å; D61-H167 PolarHBondContact OD1-N 3.13Å; D61-H167 IonicContact OD1-ND1 2.75Å; D61-H167 PolarHBondContact OD1-ND1 2.91Å; D61-H167 IonicContact OD2-CD2 3.86Å; D61-H167 IonicContact OD2-CG 3.29Å; D61-H167 PolarHBondContact OD2-N 3.23Å; D61-H167 IonicContact OD2-ND1 3.65Å; D61-R174 IonicContact OD2-NH1 3.05Å
62	E	88.1	Confident	94.2	Very high	171 Å²	171	90.6 Å²	90.6	80%	0.799	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-59.1	146	173.2	-64.4	-179.8	171.2	0	0	110.9	G64	E62-G64 PolarHBondContact O-N 3.45Å
63	E	80.2	Confident	94.2	Very high	205 Å²	205	96.5 Å²	96.5	96%	0.958	50%	0.499	S	S	*	.	S	Bend	trans	-64.9	123.5	173.7	-66.9	-173	177.4	0	0	110.3
64	G	86.7	Confident	94.3	Very high	54 Å²	54	103.7 Å²	103.7	56%	0.557	53%	0.526	S	S	*	.	S	Bend	trans	148.1	165.3	177.3	0	0	0	0	0	112.6	E62	E62-G64 PolarHBondContact O-N 3.45Å
65	P	89.7	Confident	94.3	Very high	124 Å²	124	101.6 Å²	101.6	81%	0.805	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-69.2	133.3	175.3	28.8	-32.7	0	0	0	109.9
66	P	91.8	Very high	94.4	Very high	68 Å²	68	100.2 Å²	100.2	44%	0.442	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63	150.9	172.4	24	-31.3	0	0	0	111.1
67	P	93.3	Very high	94.5	Very high	72 Å²	72	102.6 Å²	102.6	47%	0.468	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-60	149	171.4	27.5	-34.6	0	0	0	110.7	H190	P67-H190 VanDerWaalsContact CD-NE2 3.31Å; P67-H190 WeakPolarHBondContact CD-NE2 3.31Å
68	K	95.5	Very high	94.7	Very high	187 Å²	187	102 Å²	102	81%	0.813	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-59.2	148.9	173.1	67.7	-179.9	-178.8	-179.3	0	110.8
69	L	97.3	Very high	94.8	Very high	73 Å²	73	97.8 Å²	97.8	38%	0.382	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-69.2	133.2	176.7	-65.5	179.8	0	0	0	111.1	Y71 F179 V187	L69-Y71 HydrophobicContact CB-CD1 4.34Å; L69-Y71 HydrophobicContact CB-CE1 3.96Å; L69-F179 HydrophobicContact CD1-CD2 4.49Å; L69-F179 HydrophobicContact CD2-CE2 4.19Å; L69-V187 HydrophobicContact CB-CG1 4.23Å; L69-V187 HydrophobicContact CD1-CG1 4.39Å; L69-V187 HydrophobicContact CD2-CG2 4.11Å
70	E	98.1	Very high	95	Very high	124 Å²	124	98.2 Å²	98.2	58%	0.579	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-99.5	116.2	172.4	-67.8	-177.3	-179.4	0	0	110.3	V187 R188	E70-V187 CarbonylContact O-C 3.44Å; E70-V187 WeakPolarHBondContact O-CA 3.25Å; E70-V187 WeakPolarHBondContact O-CB 3.31Å; E70-R188 HydrophobicContact CB-CB 4.13Å; E70-R188 HydrophobicContact CB-CG 3.86Å; E70-R188 PolarHBondContact O-N 3.41Å
71	Y	98.4	Very high	95.2	Very high	140 Å²	140	96.3 Å²	96.3	55%	0.549	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-77.8	140.1	-174.2	-63	-7.9	0	0	0	112.4	L69 W73 I76 V187	L69-Y71 HydrophobicContact CB-CD1 4.34Å; L69-Y71 HydrophobicContact CB-CE1 3.96Å; Y71-W73 HydrophobicContact CD2-CH2 4.36Å; Y71-W73 AromaticContact CD2-CZ2 3.99Å; Y71-W73 HydrophobicContact CD2-CZ2 3.99Å; Y71-I76 HydrophobicContact CG-CD1 4.36Å; Y71-V187 HydrophobicContact CD1-CG1 3.7Å; Y71-V187 HydrophobicContact CE1-CG1 4.15Å
72	V	98.4	Very high	95.3	Very high	22 Å²	22	95.4 Å²	95.4	13%	0.133	48%	0.484	C	S	.	.			trans	-105.4	83.8	175.1	-173.6	0	0	0	0	108.1	R74 N75 I76 L186 R188	V72-R74 VanDerWaalsContact C-N 3.26Å; V72-R74 PolarHBondContact O-N 2.8Å; V72-R74 VanDerWaalsContact O-N 3.14Å; V72-N75 HydrophobicContact CB-CB 4.19Å; V72-N75 HydrophobicContact CG1-CB 4.02Å; V72-N75 WeakPolarHBondContact CG1-OD1 3.16Å; V72-N75 WeakPolarHBondContact O-CA 3.42Å; V72-N75 WeakPolarHBondContact O-CB 3.29Å; V72-N75 PolarHBondContact O-N 3.29Å; V72-I76 PolarHBondContact O-N 3.28Å; V72-I76 VanDerWaalsContact O-N 3.14Å; V72-L186 PolarHBondContact N-O 2.92Å; V72-R188 HydrophobicContact CG2-CG 4.12Å
73	W	98.4	Very high	95.8	Very high	165 Å²	165	89.7 Å²	89.7	63%	0.625	46%	0.457	S	S	*	.	H	α-helix	trans	-54.8	-35.3	-172.4	-72.9	110.1	0	0	0	114.9	Y71 N75 I76 I77	Y71-W73 HydrophobicContact CD2-CH2 4.36Å; Y71-W73 AromaticContact CD2-CZ2 3.99Å; Y71-W73 HydrophobicContact CD2-CZ2 3.99Å; W73-N75 VanDerWaalsContact C-N 3.3Å; W73-N75 PolarHBondContact O-N 2.84Å; W73-I76 HydrophobicContact CD2-CD1 4.24Å; W73-I76 HydrophobicContact CE3-CB 4.37Å; W73-I76 HydrophobicContact CE3-CD1 3.82Å; W73-I76 HydrophobicContact CE3-CG2 4.31Å; W73-I76 HydrophobicContact CZ3-CD1 4.1Å; W73-I76 HydrophobicContact CZ3-CG2 4.39Å; W73-I76 PolarHBondContact O-N 3.34Å; W73-I77 VanDerWaalsContact O-CG1 3.3Å; W73-I77 WeakPolarHBondContact O-CG1 3.48Å; W73-I77 PolarHBondContact O-N 2.89Å
74	R	98.2	Very high	96.7	Very high	152 Å²	152	84.5 Å²	84.5	57%	0.574	44%	0.439	S	S	*	.	H	α-helix	trans	-55.8	-46.1	172.2	177.3	-178.4	171.9	-169	-2.3	111.5	H4 V72 L78	H4-R74 PolarHBondContact NE2-NH1 3.21Å; V72-R74 VanDerWaalsContact C-N 3.26Å; V72-R74 PolarHBondContact O-N 2.8Å; V72-R74 VanDerWaalsContact O-N 3.14Å; R74-L78 HydrophobicContact CG-CD1 3.96Å; R74-L78 HydrophobicContact CG-CG 4.49Å; R74-L78 WeakPolarHBondContact O-CB 3.3Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 2.98Å
75	N	97.7	Very high	97.3	Very high	23 Å²	23	82.1 Å²	82.1	12%	0.123	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-41.4	-178.7	-69.1	19.6	0	0	0	110.8	M1 V72 W73 L78 M79 L185 L186	M1-N75 HydrophobicContact CE-CB 3.68Å; M1-N75 VanDerWaalsContact SD-CA 3.54Å; M1-N75 HydrophobicContact SD-CB 3.51Å; M1-N75 VanDerWaalsContact SD-CB 3.51Å; V72-N75 HydrophobicContact CB-CB 4.19Å; V72-N75 HydrophobicContact CG1-CB 4.02Å; V72-N75 WeakPolarHBondContact CG1-OD1 3.16Å; V72-N75 WeakPolarHBondContact O-CA 3.42Å; V72-N75 WeakPolarHBondContact O-CB 3.29Å; V72-N75 PolarHBondContact O-N 3.29Å; W73-N75 VanDerWaalsContact C-N 3.3Å; W73-N75 PolarHBondContact O-N 2.84Å; N75-L78 PolarHBondContact O-N 3.44Å; N75-M79 WeakPolarHBondContact O-CB 3.32Å; N75-M79 PolarHBondContact O-N 2.82Å; N75-L185 PolarHBondContact ND2-O 3.14Å; N75-L186 HydrophobicContact CB-CD2 4.31Å
76	I	98.5	Very high	97.7	Very high	44 Å²	44	76.5 Å²	76.5	23%	0.226	38%	0.379	C	S	.	.	H	α-helix	trans	-57.6	-51	175.9	-64.9	169.8	0	0	0	110.6	Y71 V72 W73 M79 A80 L186	Y71-I76 HydrophobicContact CG-CD1 4.36Å; V72-I76 PolarHBondContact O-N 3.28Å; V72-I76 VanDerWaalsContact O-N 3.14Å; W73-I76 HydrophobicContact CD2-CD1 4.24Å; W73-I76 HydrophobicContact CE3-CB 4.37Å; W73-I76 HydrophobicContact CE3-CD1 3.82Å; W73-I76 HydrophobicContact CE3-CG2 4.31Å; W73-I76 HydrophobicContact CZ3-CD1 4.1Å; W73-I76 HydrophobicContact CZ3-CG2 4.39Å; W73-I76 PolarHBondContact O-N 3.34Å; I76-M79 PolarHBondContact O-N 2.95Å; I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.4Å; I76-L186 HydrophobicContact CG1-CB 3.83Å; I76-L186 HydrophobicContact CG1-CD1 4.33Å; I76-L186 HydrophobicContact CG1-CD2 4.34Å; I76-L186 HydrophobicContact CG1-CG 4.37Å
77	I	98.6	Very high	98	Very high	98 Å²	98	78.6 Å²	78.6	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-49.2	-179.1	-67	165	0	0	0	110.9	W73 M79 A80 L81	W73-I77 VanDerWaalsContact O-CG1 3.3Å; W73-I77 WeakPolarHBondContact O-CG1 3.48Å; W73-I77 PolarHBondContact O-N 2.89Å; I77-M79 VanDerWaalsContact C-N 3.3Å; I77-M79 PolarHBondContact O-N 2.8Å; I77-A80 PolarHBondContact O-N 3.1Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 2.83Å
78	L	98.4	Very high	98.3	Very high	82 Å²	82	80.1 Å²	80.1	43%	0.429	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-37.7	-179.4	-68.8	177	0	0	0	112.1	R74 N75 L82	R74-L78 HydrophobicContact CG-CD1 3.96Å; R74-L78 HydrophobicContact CG-CG 4.49Å; R74-L78 WeakPolarHBondContact O-CB 3.3Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 2.98Å; N75-L78 PolarHBondContact O-N 3.44Å; L78-L82 WeakPolarHBondContact O-CB 3.13Å; L78-L82 PolarHBondContact O-N 3Å
79	M	98.4	Very high	98.4	Very high	15 Å²	15	71.2 Å²	71.2	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-42.6	176.8	-163.5	62.7	88.1	0	0	111.7	M1 N75 I76 I77 L82 H83 V182 L185 L186 W262	M1-M79 HydrophobicContact CE-CB 4.35Å; M1-M79 HydrophobicContact CE-CE 3.4Å; M1-M79 HydrophobicContact CE-SD 4.46Å; N75-M79 WeakPolarHBondContact O-CB 3.32Å; N75-M79 PolarHBondContact O-N 2.82Å; I76-M79 PolarHBondContact O-N 2.95Å; I77-M79 VanDerWaalsContact C-N 3.3Å; I77-M79 PolarHBondContact O-N 2.8Å; M79-L82 PolarHBondContact O-N 3.49Å; M79-L82 HydrophobicContact SD-CD2 4.27Å; M79-H83 PolarHBondContact O-N 3.22Å; M79-H83 VanDerWaalsContact O-N 3.1Å; M79-H83 PolarHBondContact O-ND1 3.35Å; M79-H83 PolarHBondContact SD-CE1 2.97Å; M79-V182 HydrophobicContact CE-CG2 3.89Å; M79-V182 HydrophobicContact CG-CG2 4.11Å; M79-V182 HydrophobicContact SD-CG2 4.5Å; M79-L185 HydrophobicContact CE-CD1 4.09Å; M79-L186 HydrophobicContact CB-CD2 3.99Å; M79-L186 HydrophobicContact CG-CD2 4.32Å; M79-W262 HydrophobicContact CE-CH2 3.39Å; M79-W262 HydrophobicContact CE-CZ2 3.62Å; M79-W262 HydrophobicContact SD-CH2 3.58Å; M79-W262 VanDerWaalsContact SD-CH2 3.58Å; M79-W262 HydrophobicContact SD-CZ2 4.34Å
80	A	98.5	Very high	98.5	Very high	53 Å²	53	71.9 Å²	71.9	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-47.6	175.4	0	0	0	0	0	111.4	I76 I77 L82 H83 V84	I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.4Å; I77-A80 PolarHBondContact O-N 3.1Å; A80-L82 PolarHBondContact O-N 2.94Å; A80-H83 PolarHBondContact O-N 2.85Å; A80-V84 VanDerWaalsContact O-CG2 3.31Å; A80-V84 WeakPolarHBondContact O-CG2 3.37Å; A80-V84 PolarHBondContact O-N 3.45Å
81	L	98.6	Very high	98.5	Very high	111 Å²	111	70.4 Å²	70.4	58%	0.581	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-41.7	178.3	-69.8	175.6	0	0	0	112.5	I77 H83 G85	I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 2.83Å; L81-H83 PolarHBondContact O-N 2.87Å; L81-G85 PolarHBondContact O-N 3.43Å
82	L	98.7	Very high	98.5	Very high	20 Å²	20	64.4 Å²	64.4	11%	0.105	32%	0.324	C	S	.	.	H	α-helix	trans	-57.7	-48.6	174.6	172.2	62	0	0	0	111.2	L78 M79 A80 G85 A86 L251 Y254 A255 L258	L78-L82 WeakPolarHBondContact O-CB 3.13Å; L78-L82 PolarHBondContact O-N 3Å; M79-L82 PolarHBondContact O-N 3.49Å; M79-L82 HydrophobicContact SD-CD2 4.27Å; A80-L82 PolarHBondContact O-N 2.94Å; L82-G85 PolarHBondContact O-N 3.29Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 3.32Å; L82-L251 HydrophobicContact CD1-CB 4.33Å; L82-L251 HydrophobicContact CD1-CD2 4Å; L82-Y254 HydrophobicContact CD1-CD1 3.71Å; L82-Y254 HydrophobicContact CD1-CE1 4.38Å; L82-Y254 HydrophobicContact CD2-CD1 3.68Å; L82-Y254 HydrophobicContact CD2-CE1 3.63Å; L82-Y254 HydrophobicContact CG-CD1 4.37Å; L82-A255 HydrophobicContact CD1-CB 4.43Å; L82-A255 HydrophobicContact CG-CB 4.3Å; L82-L258 HydrophobicContact CD2-CD1 3.64Å
83	H	98.7	Very high	98.5	Very high	51 Å²	51	66.4 Å²	66.4	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-72.5	-36.2	-176.4	-72.9	77.7	0	0	0	112.3	M79 A80 L81 G85 A86 L87 N259 W262	M79-H83 PolarHBondContact O-N 3.22Å; M79-H83 VanDerWaalsContact O-N 3.1Å; M79-H83 PolarHBondContact O-ND1 3.35Å; M79-H83 PolarHBondContact SD-CE1 2.97Å; A80-H83 PolarHBondContact O-N 2.85Å; L81-H83 PolarHBondContact O-N 2.87Å; H83-G85 VanDerWaalsContact C-N 3.34Å; H83-A86 PolarHBondContact O-N 2.86Å; H83-L87 WeakPolarHBondContact O-CB 3.36Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.21Å; H83-L87 PolarHBondContact O-N 2.86Å; H83-N259 PolarHBondContact NE2-ND2 2.75Å; H83-W262 AromaticContact CE1-CZ3 3.94Å; H83-W262 AromaticContact NE2-CZ3 3.94Å
84	V	98.7	Very high	98.5	Very high	96 Å²	96	64.2 Å²	64.2	58%	0.582	34%	0.341	S	S	*	.	H	α-helix	trans	-60.9	-45.1	171	170.6	0	0	0	0	110.4	A80 L87 Y88	A80-V84 VanDerWaalsContact O-CG2 3.31Å; A80-V84 WeakPolarHBondContact O-CG2 3.37Å; A80-V84 PolarHBondContact O-N 3.45Å; V84-L87 PolarHBondContact O-N 3.46Å; V84-Y88 PolarHBondContact O-N 3.38Å
85	G	98.7	Very high	98.5	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-41.7	174.4	0	0	0	0	0	112.7	L81 L82 H83 Y88 G89 Y247	L81-G85 PolarHBondContact O-N 3.43Å; L82-G85 PolarHBondContact O-N 3.29Å; H83-G85 VanDerWaalsContact C-N 3.34Å; G85-Y88 PolarHBondContact O-N 3.42Å; G85-G89 PolarHBondContact O-N 2.88Å; G85-Y247 VanDerWaalsContact O-CD1 3.31Å; G85-Y247 WeakPolarHBondContact O-CD1 3.3Å
86	A	98.7	Very high	98.5	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-43.9	175.8	0	0	0	0	0	112.3	L82 H83 Y88 G89 I90 L252 A255	L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 3.32Å; H83-A86 PolarHBondContact O-N 2.86Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 2.66Å; A86-G89 CarbonylContact O-C 3.37Å; A86-G89 WeakPolarHBondContact O-CA 3.07Å; A86-G89 PolarHBondContact O-N 3.37Å; A86-I90 PolarHBondContact O-N 3Å; A86-L252 HydrophobicContact CB-CB 4.42Å; A86-L252 HydrophobicContact CB-CD1 4.15Å; A86-A255 HydrophobicContact CB-CB 3.48Å; A86-A255 VanDerWaalsContact CB-CB 3.48Å
87	L	98.7	Very high	98.5	Very high	113 Å²	113	62.8 Å²	62.8	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-60.7	-41.6	175.2	-72.7	173.2	0	0	0	111.6	H83 V84 G89 I90	H83-L87 WeakPolarHBondContact O-CB 3.36Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.21Å; H83-L87 PolarHBondContact O-N 2.86Å; V84-L87 PolarHBondContact O-N 3.46Å; L87-G89 VanDerWaalsContact C-N 3.32Å; L87-I90 HydrophobicContact CD2-CD1 4.18Å; L87-I90 WeakPolarHBondContact O-CB 3.42Å; L87-I90 PolarHBondContact O-N 3.24Å
88	Y	98.7	Very high	98.5	Very high	103 Å²	103	63.6 Å²	63.6	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-41.1	171.1	-177.3	-117.4	0	0	0	111.5	V84 G85 A86 I90 T91 L92 L243 Y247	V84-Y88 PolarHBondContact O-N 3.38Å; G85-Y88 PolarHBondContact O-N 3.42Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 2.66Å; Y88-I90 VanDerWaalsContact C-N 3.25Å; Y88-I90 PolarHBondContact O-N 3.04Å; Y88-T91 WeakPolarHBondContact O-CB 3.26Å; Y88-T91 PolarHBondContact O-N 3.35Å; Y88-T91 PolarHBondContact O-OG1 3.21Å; Y88-L92 HydrophobicContact CD1-CD1 4.04Å; Y88-L92 HydrophobicContact CE1-CD1 3.77Å; Y88-L92 HydrophobicContact CE1-CG 4.4Å; Y88-L243 HydrophobicContact CE1-CD2 4.31Å; Y88-Y247 AromaticContact CD1-CD1 3.71Å; Y88-Y247 HydrophobicContact CD1-CD1 3.71Å; Y88-Y247 AromaticContact CD1-CD2 3.89Å; Y88-Y247 HydrophobicContact CD1-CD2 3.89Å; Y88-Y247 AromaticContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE1 3.8Å; Y88-Y247 AromaticContact CD1-CE2 3.98Å; Y88-Y247 HydrophobicContact CD1-CE2 3.98Å; Y88-Y247 AromaticContact CD1-CG 3.75Å; Y88-Y247 HydrophobicContact CD1-CG 3.75Å; Y88-Y247 AromaticContact CD1-CZ 3.92Å; Y88-Y247 AromaticContact CE1-CD2 3.94Å; Y88-Y247 HydrophobicContact CE1-CD2 3.94Å; Y88-Y247 AromaticContact CE1-CE2 3.96Å; Y88-Y247 HydrophobicContact CE1-CE2 3.96Å; Y88-Y247 HydrophobicContact CE1-CG 4.24Å
89	G	98.7	Very high	98.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-54.6	-36.8	173.2	0	0	0	0	0	113.7	G85 A86 L87 T91 L92 I93	G85-G89 PolarHBondContact O-N 2.88Å; A86-G89 CarbonylContact O-C 3.37Å; A86-G89 WeakPolarHBondContact O-CA 3.07Å; A86-G89 PolarHBondContact O-N 3.37Å; L87-G89 VanDerWaalsContact C-N 3.32Å; G89-T91 VanDerWaalsContact C-N 3.29Å; G89-T91 PolarHBondContact O-N 3.17Å; G89-L92 WeakPolarHBondContact O-CB 3.39Å; G89-L92 PolarHBondContact O-N 3.09Å; G89-L92 VanDerWaalsContact O-N 3.09Å; G89-I93 PolarHBondContact O-N 3.03Å
90	I	98.6	Very high	98.5	Very high	87 Å²	87	66.1 Å²	66.1	45%	0.446	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-41	176.3	-64.9	173.8	0	0	0	111	A86 L87 Y88 L92 I93 L252	A86-I90 PolarHBondContact O-N 3Å; L87-I90 HydrophobicContact CD2-CD1 4.18Å; L87-I90 WeakPolarHBondContact O-CB 3.42Å; L87-I90 PolarHBondContact O-N 3.24Å; Y88-I90 VanDerWaalsContact C-N 3.25Å; Y88-I90 PolarHBondContact O-N 3.04Å; I90-L92 PolarHBondContact O-N 3.5Å; I90-I93 HydrophobicContact CG2-CD1 4.4Å; I90-I93 WeakPolarHBondContact O-CB 3.33Å; I90-I93 WeakPolarHBondContact O-CG1 3.17Å; I90-I93 PolarHBondContact O-N 3.26Å; I90-L252 HydrophobicContact CD1-CD1 4.31Å; I90-L252 HydrophobicContact CG1-CD1 3.75Å; I90-L252 HydrophobicContact CG1-CD2 4.04Å
91	T	98.5	Very high	98.5	Very high	93 Å²	93	66.7 Å²	66.7	57%	0.571	36%	0.356	S	S	*	.	H	α-helix	trans	-66.7	-18.2	179.5	73	0	0	0	0	113.5	Y88 G89	Y88-T91 WeakPolarHBondContact O-CB 3.26Å; Y88-T91 PolarHBondContact O-N 3.35Å; Y88-T91 PolarHBondContact O-OG1 3.21Å; G89-T91 VanDerWaalsContact C-N 3.29Å; G89-T91 PolarHBondContact O-N 3.17Å
92	L	98.5	Very high	98.5	Very high	15 Å²	15	65.7 Å²	65.7	8%	0.079	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-7.4	180	-59.7	171.1	0	0	0	113.2	Y88 G89 I90 S95 S96 L243 H244 Y247 V248	Y88-L92 HydrophobicContact CD1-CD1 4.04Å; Y88-L92 HydrophobicContact CE1-CD1 3.77Å; Y88-L92 HydrophobicContact CE1-CG 4.4Å; G89-L92 WeakPolarHBondContact O-CB 3.39Å; G89-L92 PolarHBondContact O-N 3.09Å; G89-L92 VanDerWaalsContact O-N 3.09Å; I90-L92 PolarHBondContact O-N 3.5Å; L92-S95 PolarHBondContact O-N 2.81Å; L92-S95 PolarHBondContact O-OG 3.39Å; L92-S96 PolarHBondContact O-N 3.23Å; L92-S96 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-OG 3.19Å; L92-L243 HydrophobicContact CD1-CD2 3.42Å; L92-L243 VanDerWaalsContact CD1-CD2 3.42Å; L92-L243 HydrophobicContact CD1-CG 4.49Å; L92-L243 HydrophobicContact CD2-CD2 3.72Å; L92-L243 HydrophobicContact CG-CD2 4.21Å; L92-H244 PolarHBondContact O-CD2 3.49Å; L92-Y247 HydrophobicContact CD1-CD2 4.43Å; L92-Y247 HydrophobicContact CD1-CG 4.32Å; L92-V248 HydrophobicContact CB-CG2 3.77Å
93	I	98.4	Very high	98.5	Very high	63 Å²	63	67.2 Å²	67.2	32%	0.323	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-48.5	178.9	-66.3	171.9	0	0	0	111.5	G89 I90 S95 S96 L101 V248 L252	G89-I93 PolarHBondContact O-N 3.03Å; I90-I93 HydrophobicContact CG2-CD1 4.4Å; I90-I93 WeakPolarHBondContact O-CB 3.33Å; I90-I93 WeakPolarHBondContact O-CG1 3.17Å; I90-I93 PolarHBondContact O-N 3.26Å; I93-S95 PolarHBondContact O-N 3.02Å; I93-S96 WeakPolarHBondContact O-CB 3.46Å; I93-S96 PolarHBondContact O-N 3.46Å; I93-S96 VanDerWaalsContact O-N 3.09Å; I93-L101 HydrophobicContact CG2-CD1 4.43Å; I93-L101 HydrophobicContact CG2-CD2 4.11Å; I93-V248 HydrophobicContact CG1-CG1 4.5Å; I93-L252 HydrophobicContact CD1-CD2 3.82Å; I93-L252 HydrophobicContact CG1-CD2 4.12Å
94	P	98.2	Very high	98.5	Very high	120 Å²	120	65.4 Å²	65.4	78%	0.779	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.1	-176	-23.9	36	0	0	0	114.3
95	S	98.1	Very high	98.5	Very high	74 Å²	74	67.1 Å²	67.1	52%	0.517	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.2	178.9	50.1	0	0	0	0	113.8	L92 I93 H244	L92-S95 PolarHBondContact O-N 2.81Å; L92-S95 PolarHBondContact O-OG 3.39Å; I93-S95 PolarHBondContact O-N 3.02Å; S95-H244 WeakPolarHBondContact CB-NE2 3.46Å; S95-H244 PolarHBondContact OG-NE2 3.24Å
96	S	98.2	Very high	98.5	Very high	16 Å²	16	70.4 Å²	70.4	11%	0.112	36%	0.364	C	S	.	.	S	Bend	trans	-73.4	144.6	177.2	-62.9	0	0	0	0	111.4	L92 I93 H244	L92-S96 PolarHBondContact O-N 3.23Å; L92-S96 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-OG 3.19Å; I93-S96 WeakPolarHBondContact O-CB 3.46Å; I93-S96 PolarHBondContact O-N 3.46Å; I93-S96 VanDerWaalsContact O-N 3.09Å; S96-H244 PolarHBondContact OG-CD2 3.26Å
97	K	98.3	Very high	98.5	Very high	98 Å²	98	70.4 Å²	70.4	43%	0.426	36%	0.363	S	S	.	.			trans	-65.4	147.1	169.8	-64.6	173.1	-176.6	-74	0	110.2	Y99 T100 L101 W238 G239 E240	K97-Y99 PolarHBondContact O-N 3.05Å; K97-T100 WeakPolarHBondContact O-CA 3.41Å; K97-T100 VanDerWaalsContact O-CB 3.27Å; K97-T100 WeakPolarHBondContact O-CB 3.31Å; K97-T100 PolarHBondContact O-N 2.85Å; K97-L101 PolarHBondContact O-N 3.38Å; K97-W238 VanDerWaalsContact CD-O 3.32Å; K97-W238 WeakPolarHBondContact CD-O 3.22Å; K97-W238 WeakPolarHBondContact CE-O 3.43Å; K97-G239 WeakPolarHBondContact CE-O 3.36Å; K97-E240 WeakPolarHBondContact CB-OE2 3.4Å; K97-E240 HydrophobicContact CD-CB 4.35Å; K97-E240 PolarHBondContact N-OE2 3.35Å
98	V	98.2	Very high	98.5	Very high	115 Å²	115	66.5 Å²	66.5	70%	0.697	34%	0.341	S	S	*	.	H	α-helix	trans	-55.4	-39.6	178.8	176.8	0	0	0	0	112	T100 L101 L102	V98-T100 VanDerWaalsContact C-N 3.29Å; V98-T100 PolarHBondContact O-N 2.82Å; V98-L101 PolarHBondContact O-N 3.45Å; V98-L102 PolarHBondContact O-N 2.84Å
99	Y	98.5	Very high	98.5	Very high	151 Å²	151	62.6 Å²	62.6	59%	0.592	33%	0.33	S	S	*	.	H	α-helix	trans	-65.2	-29.4	177.2	-62.3	-34.5	0	0	0	113.4	K97 W103 W238	K97-Y99 PolarHBondContact O-N 3.05Å; Y99-W103 WeakPolarHBondContact O-CB 3.49Å; Y99-W103 PolarHBondContact O-N 3.49Å; Y99-W238 HydrophobicContact CD2-CB 3.96Å; Y99-W238 HydrophobicContact CD2-CG 4.19Å; Y99-W238 WeakPolarHBondContact O-CZ2 3.28Å
100	T	98.6	Very high	98.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-42.3	173.6	-53.1	0	0	0	0	111.2	K97 V98 A104 P234 W238 E240 A249	K97-T100 WeakPolarHBondContact O-CA 3.41Å; K97-T100 VanDerWaalsContact O-CB 3.27Å; K97-T100 WeakPolarHBondContact O-CB 3.31Å; K97-T100 PolarHBondContact O-N 2.85Å; V98-T100 VanDerWaalsContact C-N 3.29Å; V98-T100 PolarHBondContact O-N 2.82Å; T100-A104 WeakPolarHBondContact O-CB 3.48Å; T100-A104 PolarHBondContact O-N 2.93Å; T100-P234 HydrophobicContact CG2-CB 4.35Å; T100-W238 PolarHBondContact OG1-NE1 3.46Å; T100-E240 WeakPolarHBondContact CB-OE2 3.24Å; T100-E240 HydrophobicContact CG2-CG 4.03Å; T100-E240 VanDerWaalsContact OG1-CG 3.26Å; T100-E240 WeakPolarHBondContact OG1-CG 3.46Å; T100-E240 PolarHBondContact OG1-OE2 2.84Å; T100-A249 HydrophobicContact CG2-CB 4.16Å
101	L	98.5	Very high	98.5	Very high	65 Å²	65	60.8 Å²	60.8	34%	0.34	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-43.2	177.2	-58.7	-179.7	0	0	0	111.5	I93 K97 V98 A104 F105 V248	I93-L101 HydrophobicContact CG2-CD1 4.43Å; I93-L101 HydrophobicContact CG2-CD2 4.11Å; K97-L101 PolarHBondContact O-N 3.38Å; V98-L101 PolarHBondContact O-N 3.45Å; L101-A104 PolarHBondContact O-N 3.23Å; L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 2.78Å; L101-V248 HydrophobicContact CD2-CG1 4.06Å
102	L	98.4	Very high	98.5	Very high	89 Å²	89	56.5 Å²	56.5	47%	0.466	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175.5	-178.8	61.2	0	0	0	111.6	V98 F105 I106	V98-L102 PolarHBondContact O-N 2.84Å; L102-F105 PolarHBondContact O-N 3.24Å; L102-I106 HydrophobicContact CD1-CD1 4.04Å; L102-I106 HydrophobicContact CD1-CG1 4.31Å; L102-I106 HydrophobicContact CG-CD1 3.9Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 3.22Å
103	W	98.5	Very high	98.5	Very high	53 Å²	53	56.1 Å²	56.1	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-48.4	174.7	172.4	-106.6	0	0	0	111.7	Y99 F105 I106 Y107 P230 V233 P234 W238	Y99-W103 WeakPolarHBondContact O-CB 3.49Å; Y99-W103 PolarHBondContact O-N 3.49Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 3.23Å; W103-I106 PolarHBondContact O-N 3Å; W103-Y107 HydrophobicContact CD2-CD2 4.43Å; W103-Y107 AromaticContact CE2-CD2 3.74Å; W103-Y107 AromaticContact CH2-CD2 3.83Å; W103-Y107 HydrophobicContact CH2-CD2 3.83Å; W103-Y107 AromaticContact CH2-CE2 3.83Å; W103-Y107 HydrophobicContact CH2-CE2 3.83Å; W103-Y107 AromaticContact CZ2-CD2 3.42Å; W103-Y107 HydrophobicContact CZ2-CD2 3.42Å; W103-Y107 VanDerWaalsContact CZ2-CD2 3.42Å; W103-Y107 AromaticContact CZ2-CE2 3.45Å; W103-Y107 HydrophobicContact CZ2-CE2 3.45Å; W103-Y107 VanDerWaalsContact CZ2-CE2 3.45Å; W103-Y107 HydrophobicContact CZ3-CD2 4.48Å; W103-Y107 WeakPolarHBondContact O-CB 3.46Å; W103-Y107 PolarHBondContact O-N 2.93Å; W103-P230 PolarHBondContact NE1-O 2.77Å; W103-V233 HydrophobicContact CD2-CG1 4.06Å; W103-V233 HydrophobicContact CE3-CG1 4.09Å; W103-V233 HydrophobicContact CH2-CB 4.1Å; W103-V233 HydrophobicContact CH2-CG1 3.83Å; W103-V233 HydrophobicContact CH2-CG2 4.01Å; W103-V233 HydrophobicContact CZ2-CB 3.66Å; W103-V233 HydrophobicContact CZ2-CG1 3.77Å; W103-V233 HydrophobicContact CZ2-CG2 3.84Å; W103-V233 HydrophobicContact CZ3-CG1 3.99Å; W103-P234 VanDerWaalsContact CD1-CG 3.43Å; W103-P234 HydrophobicContact CG-CG 4.17Å; W103-W238 HydrophobicContact CB-CH2 3.6Å; W103-W238 HydrophobicContact CB-CZ2 3.6Å; W103-W238 AromaticContact CD2-CH2 3.99Å; W103-W238 HydrophobicContact CD2-CH2 3.99Å; W103-W238 HydrophobicContact CE3-CH2 4.27Å; W103-W238 AromaticContact CG-CH2 3.71Å; W103-W238 HydrophobicContact CG-CH2 3.71Å; W103-W238 AromaticContact CG-CZ2 3.94Å; W103-W238 HydrophobicContact CG-CZ2 3.94Å
104	A	98.6	Very high	98.5	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-43.3	176.8	0	0	0	0	0	111.5	T100 L101 Y107 Y108 A249 R253	T100-A104 WeakPolarHBondContact O-CB 3.48Å; T100-A104 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 3.23Å; A104-Y107 PolarHBondContact O-N 3.28Å; A104-Y108 VanDerWaalsContact O-CB 3.26Å; A104-Y108 WeakPolarHBondContact O-CB 3.19Å; A104-Y108 PolarHBondContact O-N 3.47Å; A104-A249 HydrophobicContact CB-CB 4.39Å; A104-R253 HydrophobicContact CB-CB 4.41Å
105	F	98.4	Very high	98.5	Very high	132 Å²	132	47.8 Å²	47.8	58%	0.579	24%	0.242	S	C	*	.	H	α-helix	trans	-65.6	-44.1	177.6	-179.8	-101.2	0	0	0	113.1	L101 L102 W103 Y107 Y108 A109	L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 2.78Å; L102-F105 PolarHBondContact O-N 3.24Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 3.23Å; F105-Y107 VanDerWaalsContact C-N 3.35Å; F105-Y108 WeakPolarHBondContact O-CB 3.44Å; F105-Y108 PolarHBondContact O-N 2.78Å; F105-A109 PolarHBondContact O-N 3.27Å
106	I	98.5	Very high	98.5	Very high	75 Å²	75	44.3 Å²	44.3	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-43.8	176.2	-69.3	167.9	0	0	0	110.3	L102 W103 Y108 A109 I110	L102-I106 HydrophobicContact CD1-CD1 4.04Å; L102-I106 HydrophobicContact CD1-CG1 4.31Å; L102-I106 HydrophobicContact CG-CD1 3.9Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 3.22Å; W103-I106 PolarHBondContact O-N 3Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.04Å; I106-A109 PolarHBondContact O-N 2.98Å; I106-I110 HydrophobicContact CG2-CD1 3.75Å; I106-I110 HydrophobicContact CG2-CG1 4.4Å; I106-I110 WeakPolarHBondContact O-CG1 3.32Å; I106-I110 PolarHBondContact O-N 2.91Å
107	Y	98.5	Very high	98.6	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-37.3	178.6	-140.2	-84.2	0	0	0	112.1	W103 A104 F105 S111 M144 L225 P230	W103-Y107 HydrophobicContact CD2-CD2 4.43Å; W103-Y107 AromaticContact CE2-CD2 3.74Å; W103-Y107 AromaticContact CH2-CD2 3.83Å; W103-Y107 HydrophobicContact CH2-CD2 3.83Å; W103-Y107 AromaticContact CH2-CE2 3.83Å; W103-Y107 HydrophobicContact CH2-CE2 3.83Å; W103-Y107 AromaticContact CZ2-CD2 3.42Å; W103-Y107 HydrophobicContact CZ2-CD2 3.42Å; W103-Y107 VanDerWaalsContact CZ2-CD2 3.42Å; W103-Y107 AromaticContact CZ2-CE2 3.45Å; W103-Y107 HydrophobicContact CZ2-CE2 3.45Å; W103-Y107 VanDerWaalsContact CZ2-CE2 3.45Å; W103-Y107 HydrophobicContact CZ3-CD2 4.48Å; W103-Y107 WeakPolarHBondContact O-CB 3.46Å; W103-Y107 PolarHBondContact O-N 2.93Å; A104-Y107 PolarHBondContact O-N 3.28Å; F105-Y107 VanDerWaalsContact C-N 3.35Å; Y107-S111 VanDerWaalsContact O-CB 3.29Å; Y107-S111 WeakPolarHBondContact O-CB 3.48Å; Y107-S111 PolarHBondContact O-N 2.99Å; Y107-S111 PolarHBondContact O-OG 3.47Å; Y107-M144 HydrophobicContact CD1-CB 4.41Å; Y107-M144 HydrophobicContact CD1-SD 4.22Å; Y107-M144 HydrophobicContact CE1-CB 3.73Å; Y107-M144 HydrophobicContact CE1-CG 3.71Å; Y107-M144 HydrophobicContact CE1-SD 3.69Å; Y107-M144 HydrophobicContact CE2-SD 4.22Å; Y107-L225 VanDerWaalsContact CE1-O 3.24Å; Y107-L225 WeakPolarHBondContact CE1-O 3.38Å; Y107-L225 VanDerWaalsContact CZ-O 3.26Å; Y107-L225 PolarHBondContact OH-O 3.29Å; Y107-P230 HydrophobicContact CD1-CB 4.37Å; Y107-P230 HydrophobicContact CD2-CB 4.32Å; Y107-P230 HydrophobicContact CE1-CB 4.1Å; Y107-P230 HydrophobicContact CE1-CG 4.14Å; Y107-P230 HydrophobicContact CE2-CB 4.12Å; Y107-P230 HydrophobicContact CG-CB 4.42Å
108	Y	98.7	Very high	98.6	Very high	30 Å²	30	38.9 Å²	38.9	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-54.9	170.3	167.9	-90.9	0	0	0	110.8	A104 F105 I106 I110 S111 I112 V256 V257 V260 G291	A104-Y108 VanDerWaalsContact O-CB 3.26Å; A104-Y108 WeakPolarHBondContact O-CB 3.19Å; A104-Y108 PolarHBondContact O-N 3.47Å; F105-Y108 WeakPolarHBondContact O-CB 3.44Å; F105-Y108 PolarHBondContact O-N 2.78Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.04Å; Y108-I110 PolarHBondContact O-N 2.63Å; Y108-S111 WeakPolarHBondContact O-CB 3.49Å; Y108-S111 PolarHBondContact O-N 3.27Å; Y108-S111 VanDerWaalsContact O-N 3.11Å; Y108-I112 HydrophobicContact CD1-CG1 4.37Å; Y108-I112 HydrophobicContact CD2-CG1 4.31Å; Y108-I112 HydrophobicContact CE1-CG1 4.02Å; Y108-I112 HydrophobicContact CE2-CD1 4.16Å; Y108-I112 HydrophobicContact CE2-CG1 3.95Å; Y108-I112 WeakPolarHBondContact O-CG1 3.43Å; Y108-I112 PolarHBondContact O-N 3.16Å; Y108-V256 HydrophobicContact CD2-CG1 4.13Å; Y108-V256 HydrophobicContact CE2-CG1 3.73Å; Y108-V257 HydrophobicContact CD2-CG2 3.47Å; Y108-V257 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V257 HydrophobicContact CE2-CG2 4.06Å; Y108-V257 HydrophobicContact CG-CG2 4.32Å; Y108-V260 HydrophobicContact CE2-CG2 3.96Å; Y108-G291 PolarHBondContact OH-O 3.38Å
109	A	98.5	Very high	98.6	Very high	22 Å²	22	33.4 Å²	33.4	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-44.5	-177.5	0	0	0	0	0	112.2	F105 I106 S111 I112 E113 L293	F105-A109 PolarHBondContact O-N 3.27Å; I106-A109 PolarHBondContact O-N 2.98Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 2.97Å; A109-I112 PolarHBondContact O-N 3.32Å; A109-E113 WeakPolarHBondContact O-CG 3.49Å; A109-E113 PolarHBondContact O-N 2.89Å; A109-L293 HydrophobicContact CB-CD1 4.3Å
110	I	98.7	Very high	98.6	Very high	47 Å²	47	26.8 Å²	26.8	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-43.3	175.7	-66.6	169.9	0	0	0	110.7	I106 Y108 I112 E113 G114 F137 A141 M144	I106-I110 HydrophobicContact CG2-CD1 3.75Å; I106-I110 HydrophobicContact CG2-CG1 4.4Å; I106-I110 WeakPolarHBondContact O-CG1 3.32Å; I106-I110 PolarHBondContact O-N 2.91Å; Y108-I110 PolarHBondContact O-N 2.63Å; I110-I112 PolarHBondContact O-N 3.37Å; I110-E113 PolarHBondContact O-N 2.94Å; I110-G114 PolarHBondContact O-N 3.49Å; I110-F137 HydrophobicContact CG2-CE2 4.33Å; I110-F137 HydrophobicContact CG2-CZ 4.22Å; I110-A141 HydrophobicContact CG2-CB 3.72Å; I110-A141 WeakPolarHBondContact O-CB 3.46Å; I110-M144 HydrophobicContact CB-SD 4.5Å; I110-M144 HydrophobicContact CG2-CE 4.27Å; I110-M144 HydrophobicContact CG2-SD 3.7Å
111	S	98.8	Very high	98.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-42.3	178.7	-60	0	0	0	0	111.8	Y107 Y108 A109 G114 I115 M144	Y107-S111 VanDerWaalsContact O-CB 3.29Å; Y107-S111 WeakPolarHBondContact O-CB 3.48Å; Y107-S111 PolarHBondContact O-N 2.99Å; Y107-S111 PolarHBondContact O-OG 3.47Å; Y108-S111 WeakPolarHBondContact O-CB 3.49Å; Y108-S111 PolarHBondContact O-N 3.27Å; Y108-S111 VanDerWaalsContact O-N 3.11Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 2.97Å; S111-G114 PolarHBondContact O-N 3.17Å; S111-I115 PolarHBondContact O-N 3.31Å; S111-M144 WeakPolarHBondContact OG-CB 3.34Å
112	I	98.6	Very high	98.7	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-42.4	176.3	-64.6	-64.9	0	0	0	111.1	Y108 A109 I110 G114 I115 G116 V257 V260 T292 L293	Y108-I112 HydrophobicContact CD1-CG1 4.37Å; Y108-I112 HydrophobicContact CD2-CG1 4.31Å; Y108-I112 HydrophobicContact CE1-CG1 4.02Å; Y108-I112 HydrophobicContact CE2-CD1 4.16Å; Y108-I112 HydrophobicContact CE2-CG1 3.95Å; Y108-I112 WeakPolarHBondContact O-CG1 3.43Å; Y108-I112 PolarHBondContact O-N 3.16Å; A109-I112 PolarHBondContact O-N 3.32Å; I110-I112 PolarHBondContact O-N 3.37Å; I112-G114 VanDerWaalsContact C-N 3.31Å; I112-G114 PolarHBondContact O-N 2.76Å; I112-I115 HydrophobicContact CD1-CD1 4.45Å; I112-I115 CarbonylContact O-C 3.48Å; I112-I115 WeakPolarHBondContact O-CA 3.07Å; I112-I115 WeakPolarHBondContact O-CB 3.37Å; I112-I115 PolarHBondContact O-N 3.09Å; I112-G116 PolarHBondContact O-N 2.81Å; I112-V257 HydrophobicContact CD1-CG1 4.09Å; I112-V260 HydrophobicContact CD1-CG2 3.54Å; I112-T292 WeakPolarHBondContact CG2-O 3.26Å; I112-L293 HydrophobicContact CB-CD1 4.06Å; I112-L293 HydrophobicContact CB-CG 4.44Å; I112-L293 HydrophobicContact CG2-CB 3.91Å; I112-L293 HydrophobicContact CG2-CD1 3.82Å; I112-L293 HydrophobicContact CG2-CG 3.78Å
113	E	98.6	Very high	98.7	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-34.4	174.1	-72.9	-56.8	136	0	0	112.8	A109 I110 I115 A117 G118 F319 T320 F323	A109-E113 WeakPolarHBondContact O-CG 3.49Å; A109-E113 PolarHBondContact O-N 2.89Å; I110-E113 PolarHBondContact O-N 2.94Å; E113-I115 PolarHBondContact O-N 3.13Å; E113-A117 WeakPolarHBondContact O-CA 3.4Å; E113-A117 WeakPolarHBondContact O-CB 3.16Å; E113-A117 PolarHBondContact O-N 3.31Å; E113-A117 WeakPolarHBondContact OE2-CB 3.29Å; E113-G118 PolarHBondContact O-N 3.02Å; E113-G118 VanDerWaalsContact O-N 3.09Å; E113-F319 HydrophobicContact CG-CE1 4.32Å; E113-F319 WeakPolarHBondContact OE1-CD1 3.47Å; E113-T320 VanDerWaalsContact OE1-CA 3.28Å; E113-T320 WeakPolarHBondContact OE1-CA 3.42Å; E113-T320 PolarHBondContact OE1-N 3.2Å; E113-T320 PolarHBondContact OE1-OG1 2.86Å; E113-F323 WeakPolarHBondContact OE2-CD1 3.36Å
114	G	98.8	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-60.7	-25.5	170.1	0	0	0	0	0	113.6	I110 S111 I112 G118 V119 N142	I110-G114 PolarHBondContact O-N 3.49Å; S111-G114 PolarHBondContact O-N 3.17Å; I112-G114 VanDerWaalsContact C-N 3.31Å; I112-G114 PolarHBondContact O-N 2.76Å; G114-G118 WeakPolarHBondContact O-CA 3.26Å; G114-V119 PolarHBondContact O-N 2.82Å; G114-N142 WeakPolarHBondContact O-CB 3.47Å; G114-N142 PolarHBondContact O-ND2 3.3Å
115	I	98.7	Very high	98.7	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.046	8%	0.082	C	C	.	.	I	π-helix	trans	-85.2	-64.6	172.3	-58.6	162.5	0	0	0	109.8	S111 I112 E113 G118 V119 H120 A145 Q147 W153 V257 T261	S111-I115 PolarHBondContact O-N 3.31Å; I112-I115 HydrophobicContact CD1-CD1 4.45Å; I112-I115 CarbonylContact O-C 3.48Å; I112-I115 WeakPolarHBondContact O-CA 3.07Å; I112-I115 WeakPolarHBondContact O-CB 3.37Å; I112-I115 PolarHBondContact O-N 3.09Å; E113-I115 PolarHBondContact O-N 3.13Å; I115-G118 CarbonylContact O-C 3.53Å; I115-V119 HydrophobicContact CB-CG1 4.46Å; I115-V119 HydrophobicContact CG2-CG1 4.08Å; I115-V119 PolarHBondContact O-N 3.18Å; I115-V119 VanDerWaalsContact O-N 3.12Å; I115-H120 VanDerWaalsContact O-CB 3.27Å; I115-H120 WeakPolarHBondContact O-CB 3.34Å; I115-H120 PolarHBondContact O-N 2.98Å; I115-A145 HydrophobicContact CD1-CB 3.88Å; I115-A145 HydrophobicContact CG1-CB 3.84Å; I115-Q147 HydrophobicContact CD1-CG 4.39Å; I115-W153 HydrophobicContact CG2-CZ2 4.13Å; I115-V257 HydrophobicContact CD1-CG1 4.15Å; I115-T261 WeakPolarHBondContact CD1-OG1 3.35Å
116	G	98.7	Very high	98.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	6%	0.062	C	C	.	.	I	π-helix	trans	-62.8	-63.6	-173	0	0	0	0	0	113.2	I112 G118 R121 E295	I112-G116 PolarHBondContact O-N 2.81Å; G116-G118 VanDerWaalsContact C-N 3.31Å; G116-G118 PolarHBondContact O-N 3Å; G116-R121 WeakPolarHBondContact O-CB 3.42Å; G116-R121 WeakPolarHBondContact O-CD 3.43Å; G116-R121 WeakPolarHBondContact O-CG 3.04Å; G116-R121 PolarHBondContact O-N 3.48Å; G116-R121 VanDerWaalsContact O-N 3.08Å; G116-E295 WeakPolarHBondContact CA-OE2 3.46Å
117	A	98.8	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-69.9	-30.4	178.7	0	0	0	0	0	112.3	E113 L122 Y128 L138 T320 F323 I324	E113-A117 WeakPolarHBondContact O-CA 3.4Å; E113-A117 WeakPolarHBondContact O-CB 3.16Å; E113-A117 PolarHBondContact O-N 3.31Å; E113-A117 WeakPolarHBondContact OE2-CB 3.29Å; A117-L122 WeakPolarHBondContact O-CB 3.5Å; A117-Y128 WeakPolarHBondContact O-CE1 3.46Å; A117-Y128 PolarHBondContact O-OH 3.42Å; A117-L138 HydrophobicContact CB-CD2 3.89Å; A117-T320 HydrophobicContact CB-CG2 3.87Å; A117-T320 VanDerWaalsContact N-CG2 3.31Å; A117-F323 HydrophobicContact CB-CD1 3.75Å; A117-F323 HydrophobicContact CB-CE1 3.86Å; A117-I324 HydrophobicContact CB-CD1 4.18Å; A117-I324 HydrophobicContact CB-CG1 3.98Å
118	G	98.8	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-85.4	-103.3	180	0	0	0	0	0	113.7	E113 G114 I115 G116 H120 L122 W123	E113-G118 PolarHBondContact O-N 3.02Å; E113-G118 VanDerWaalsContact O-N 3.09Å; G114-G118 WeakPolarHBondContact O-CA 3.26Å; I115-G118 CarbonylContact O-C 3.53Å; G116-G118 VanDerWaalsContact C-N 3.31Å; G116-G118 PolarHBondContact O-N 3Å; G118-H120 PolarHBondContact O-N 3.21Å; G118-H120 VanDerWaalsContact O-N 3.12Å; G118-L122 VanDerWaalsContact O-CB 3.25Å; G118-L122 WeakPolarHBondContact O-CB 3.3Å; G118-L122 PolarHBondContact O-N 3.4Å; G118-W123 PolarHBondContact O-N 3.37Å
119	V	98.8	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-56.5	-34.3	-166.8	77.7	0	0	0	0	113.5	G114 I115 W123 S124 N142 V150 W153	G114-V119 PolarHBondContact O-N 2.82Å; I115-V119 HydrophobicContact CB-CG1 4.46Å; I115-V119 HydrophobicContact CG2-CG1 4.08Å; I115-V119 PolarHBondContact O-N 3.18Å; I115-V119 VanDerWaalsContact O-N 3.12Å; V119-W123 HydrophobicContact CB-CE3 4.5Å; V119-S124 VanDerWaalsContact O-CB 3.29Å; V119-S124 WeakPolarHBondContact O-CB 3.12Å; V119-S124 PolarHBondContact O-N 2.99Å; V119-S124 PolarHBondContact O-OG 3.28Å; V119-N142 WeakPolarHBondContact CB-ND2 3.41Å; V119-V150 HydrophobicContact CB-CG2 4.23Å; V119-V150 HydrophobicContact CG2-CB 4.11Å; V119-V150 HydrophobicContact CG2-CG1 4.12Å; V119-V150 HydrophobicContact CG2-CG2 3.92Å; V119-W153 HydrophobicContact CB-CD2 4.24Å; V119-W153 HydrophobicContact CB-CE3 4.16Å; V119-W153 HydrophobicContact CG1-CD2 3.5Å; V119-W153 VanDerWaalsContact CG1-CD2 3.5Å; V119-W153 HydrophobicContact CG1-CE3 3.67Å; V119-W153 HydrophobicContact CG1-CG 3.98Å; V119-W153 HydrophobicContact CG1-CH2 4.16Å; V119-W153 HydrophobicContact CG1-CZ2 4Å; V119-W153 HydrophobicContact CG1-CZ3 3.99Å; V119-W153 HydrophobicContact CG2-CB 3.67Å; V119-W153 HydrophobicContact CG2-CD2 3.67Å; V119-W153 HydrophobicContact CG2-CE3 3.55Å; V119-W153 HydrophobicContact CG2-CG 3.73Å; V119-W153 HydrophobicContact CG2-CZ3 4.42Å
120	H	98.9	Very high	98.8	Very high	11 Å²	11	10.5 Å²	10.5	5%	0.051	5%	0.05	C	C	.	.	I	π-helix	trans	-75.3	-76.9	179.3	-175.7	-144.3	0	0	0	111.8	I115 G118 S124 H125 W153 H157 E295 H301	I115-H120 VanDerWaalsContact O-CB 3.27Å; I115-H120 WeakPolarHBondContact O-CB 3.34Å; I115-H120 PolarHBondContact O-N 2.98Å; G118-H120 PolarHBondContact O-N 3.21Å; G118-H120 VanDerWaalsContact O-N 3.12Å; H120-S124 VanDerWaalsContact O-CB 3.3Å; H120-S124 WeakPolarHBondContact O-CB 3.44Å; H120-S124 PolarHBondContact O-N 3.01Å; H120-H125 AromaticContact CD2-CD2 3.4Å; H120-H125 PolarHBondContact CD2-CD2 3.09Å; H120-H125 AromaticContact CD2-NE2 3.37Å; H120-H125 PolarHBondContact CD2-NE2 3.02Å; H120-H125 AromaticContact NE2-CD2 3.55Å; H120-H125 AromaticContact NE2-NE2 3.26Å; H120-H125 PolarHBondContact NE2-NE2 3.17Å; H120-H125 PolarHBondContact O-CD2 3.35Å; H120-H125 VanDerWaalsContact O-CD2 3.29Å; H120-H125 PolarHBondContact O-N 2.89Å; H120-W153 HydrophobicContact CB-CH2 3.88Å; H120-W153 HydrophobicContact CB-CZ3 4.19Å; H120-W153 AromaticContact CD2-CH2 3.99Å; H120-H157 AromaticContact CD2-CD2 3.71Å; H120-H157 AromaticContact CD2-CE1 3.77Å; H120-H157 AromaticContact CD2-NE2 3.14Å; H120-H157 PolarHBondContact CD2-NE2 2.92Å; H120-H157 AromaticContact NE2-CE1 3.77Å; H120-H157 AromaticContact NE2-NE2 3.2Å; H120-H157 PolarHBondContact NE2-NE2 3.19Å; H120-E295 IonicContact CE1-OE2 2.65Å; H120-E295 PolarHBondContact CE1-OE2 2.76Å; H120-E295 IonicContact CG-OE2 3.16Å; H120-E295 IonicContact ND1-OE2 3.7Å; H120-E295 PolarHBondContact ND1-OE2 3.12Å; H120-H301 AromaticContact CE1-CD2 3.97Å; H120-H301 AromaticContact CE1-CE1 3.53Å; H120-H301 AromaticContact CE1-NE2 3.44Å; H120-H301 PolarHBondContact CE1-NE2 2.92Å; H120-H301 AromaticContact NE2-CD2 3.78Å; H120-H301 AromaticContact NE2-CE1 3.19Å; H120-H301 PolarHBondContact NE2-CE1 3.24Å; H120-H301 AromaticContact NE2-NE2 2.9Å; H120-H301 PolarHBondContact NE2-NE2 2.88Å
121	R	98.8	Very high	98.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.008	6%	0.059	C	C	.	.	I	π-helix	trans	-71.1	-38.1	-169.7	-62.3	168.6	-178.6	-152.5	15	113.2	G116 R126 T127 Y128 E295 Y308 S309 N318 T320 T321	G116-R121 WeakPolarHBondContact O-CB 3.42Å; G116-R121 WeakPolarHBondContact O-CD 3.43Å; G116-R121 WeakPolarHBondContact O-CG 3.04Å; G116-R121 PolarHBondContact O-N 3.48Å; G116-R121 VanDerWaalsContact O-N 3.08Å; R121-R126 PolarHBondContact O-N 3.07Å; R121-T127 PolarHBondContact O-N 3.04Å; R121-T127 VanDerWaalsContact O-N 3.14Å; R121-T127 PolarHBondContact O-OG1 3.23Å; R121-Y128 HydrophobicContact CB-CE1 4.22Å; R121-E295 IonicContact CZ-OE1 3.67Å; R121-E295 VanDerWaalsContact CZ-OE1 3.31Å; R121-E295 IonicContact NE-OE1 2.85Å; R121-E295 PolarHBondContact NE-OE1 3.42Å; R121-E295 IonicContact NE-OE2 3.93Å; R121-E295 IonicContact NH2-OE1 2.78Å; R121-E295 PolarHBondContact NH2-OE1 2.87Å; R121-Y308 WeakPolarHBondContact CD-O 3.1Å; R121-Y308 PolarHBondContact NH1-O 3.3Å; R121-S309 PolarHBondContact NH1-O 3.4Å; R121-S309 PolarHBondContact NH2-O 2.85Å; R121-N318 PolarHBondContact NH2-ND2 3.37Å; R121-N318 PolarHBondContact NH2-OD1 3.43Å; R121-T320 VanDerWaalsContact CZ-CG2 3.46Å; R121-T321 PolarHBondContact NH1-OG1 3.45Å
122	L	98.9	Very high	98.8	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	8%	0.083	C	C	.	.	I	π-helix	trans	-81.7	-54.3	-177.2	179	61.3	0	0	0	112.9	A117 G118 R126 Y128 A130 R135 L138	A117-L122 WeakPolarHBondContact O-CB 3.5Å; G118-L122 VanDerWaalsContact O-CB 3.25Å; G118-L122 WeakPolarHBondContact O-CB 3.3Å; G118-L122 PolarHBondContact O-N 3.4Å; L122-R126 WeakPolarHBondContact O-CA 3.42Å; L122-R126 WeakPolarHBondContact O-CD 3.38Å; L122-R126 PolarHBondContact O-N 3.37Å; L122-Y128 HydrophobicContact CB-CD1 4.45Å; L122-Y128 HydrophobicContact CB-CE1 3.6Å; L122-Y128 HydrophobicContact CD1-CD1 4.42Å; L122-Y128 HydrophobicContact CD1-CD2 4.35Å; L122-Y128 HydrophobicContact CD1-CE1 4.12Å; L122-Y128 HydrophobicContact CD1-CE2 4.05Å; L122-Y128 VanDerWaalsContact CD1-O 3.32Å; L122-Y128 WeakPolarHBondContact CD1-O 3.24Å; L122-Y128 HydrophobicContact CG-CE1 4.39Å; L122-A130 HydrophobicContact CD1-CB 3.95Å; L122-A130 HydrophobicContact CD2-CB 3.84Å; L122-R135 HydrophobicContact CD2-CG 4.15Å; L122-L138 HydrophobicContact CD2-CD1 3.83Å
123	W	98.8	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-94.4	-38.8	-169	-71.7	-63.3	0	0	0	113.6	G118 V119 R135 L138 I139 V150 R158 L205 E208 V211	G118-W123 PolarHBondContact O-N 3.37Å; V119-W123 HydrophobicContact CB-CE3 4.5Å; W123-R135 HydrophobicContact CZ2-CB 4.5Å; W123-L138 HydrophobicContact CH2-CB 3.66Å; W123-L138 HydrophobicContact CZ3-CB 3.95Å; W123-I139 HydrophobicContact CH2-CB 4.12Å; W123-I139 HydrophobicContact CH2-CD1 3.9Å; W123-I139 HydrophobicContact CZ2-CD1 4.21Å; W123-I139 HydrophobicContact CZ3-CD1 4.29Å; W123-V150 HydrophobicContact CB-CG1 3.6Å; W123-V150 HydrophobicContact CD2-CG1 3.7Å; W123-V150 HydrophobicContact CD2-CG2 4.31Å; W123-V150 HydrophobicContact CE3-CG1 3.9Å; W123-V150 HydrophobicContact CE3-CG2 3.74Å; W123-V150 HydrophobicContact CG-CG1 3.57Å; W123-V150 HydrophobicContact CZ3-CG2 3.95Å; W123-R158 PolarHBondContact O-NH2 3.18Å; W123-L205 HydrophobicContact CB-CD2 3.83Å; W123-L205 HydrophobicContact CG-CD2 4.14Å; W123-E208 VanDerWaalsContact NE1-CD 3.31Å; W123-E208 PolarHBondContact NE1-OE1 3.2Å; W123-E208 PolarHBondContact NE1-OE2 2.94Å; W123-V211 HydrophobicContact CD2-CG2 4.49Å; W123-V211 HydrophobicContact CG-CG2 4.38Å
124	S	98.8	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-73.6	-45.3	178.1	-56.3	0	0	0	0	111.3	M50 V119 H120 W153 A154 R158	M50-S124 WeakPolarHBondContact CE-O 3.39Å; V119-S124 VanDerWaalsContact O-CB 3.29Å; V119-S124 WeakPolarHBondContact O-CB 3.12Å; V119-S124 PolarHBondContact O-N 2.99Å; V119-S124 PolarHBondContact O-OG 3.28Å; H120-S124 VanDerWaalsContact O-CB 3.3Å; H120-S124 WeakPolarHBondContact O-CB 3.44Å; H120-S124 PolarHBondContact O-N 3.01Å; S124-W153 VanDerWaalsContact OG-CZ3 3.28Å; S124-W153 WeakPolarHBondContact OG-CZ3 3.49Å; S124-A154 VanDerWaalsContact OG-CA 3.25Å; S124-A154 WeakPolarHBondContact OG-CA 3.23Å; S124-A154 VanDerWaalsContact OG-CB 3.26Å; S124-A154 WeakPolarHBondContact OG-CB 3.47Å; S124-R158 PolarHBondContact O-NE 3.09Å; S124-R158 VanDerWaalsContact O-NE 3.12Å
125	H	98.7	Very high	98.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-107.1	-12.8	-172.4	-65.9	-66.2	0	0	0	115.9	R47 D53 H120 T127 H157 H161 H301 P305	R47-H125 WeakPolarHBondContact CD-O 3.19Å; R47-H125 PolarHBondContact NE-O 2.77Å; R47-H125 PolarHBondContact NH1-O 3.35Å; D53-H125 IonicContact OD2-CE1 3.22Å; D53-H125 IonicContact OD2-CG 3.57Å; D53-H125 IonicContact OD2-ND1 3.41Å; D53-H125 PolarHBondContact OD2-ND1 3.35Å; H120-H125 AromaticContact CD2-CD2 3.4Å; H120-H125 PolarHBondContact CD2-CD2 3.09Å; H120-H125 AromaticContact CD2-NE2 3.37Å; H120-H125 PolarHBondContact CD2-NE2 3.02Å; H120-H125 AromaticContact NE2-CD2 3.55Å; H120-H125 AromaticContact NE2-NE2 3.26Å; H120-H125 PolarHBondContact NE2-NE2 3.17Å; H120-H125 PolarHBondContact O-CD2 3.35Å; H120-H125 VanDerWaalsContact O-CD2 3.29Å; H120-H125 PolarHBondContact O-N 2.89Å; H125-T127 HydrophobicContact CB-CG2 3.52Å; H125-T127 PolarHBondContact O-N 3.06Å; H125-T127 VanDerWaalsContact O-N 3.15Å; H125-H157 AromaticContact CE1-CD2 3.75Å; H125-H157 AromaticContact CE1-NE2 3.67Å; H125-H157 AromaticContact NE2-CD2 3.18Å; H125-H157 PolarHBondContact NE2-CD2 3.49Å; H125-H157 AromaticContact NE2-NE2 2.93Å; H125-H157 PolarHBondContact NE2-NE2 2.66Å; H125-H161 AromaticContact CE1-CD2 3.5Å; H125-H161 PolarHBondContact CE1-CD2 2.86Å; H125-H161 VanDerWaalsContact CE1-CD2 3.5Å; H125-H161 AromaticContact CE1-CE1 3.64Å; H125-H161 AromaticContact CE1-CG 3.88Å; H125-H161 AromaticContact CE1-ND1 3.96Å; H125-H161 AromaticContact CE1-NE2 3.31Å; H125-H161 PolarHBondContact CE1-NE2 2.97Å; H125-H161 VanDerWaalsContact CE1-NE2 3.31Å; H125-H161 AromaticContact NE2-CD2 3.91Å; H125-H161 AromaticContact NE2-NE2 3.46Å; H125-H161 PolarHBondContact NE2-NE2 3.49Å; H125-H301 AromaticContact CD2-CE1 3.7Å; H125-H301 AromaticContact CE1-CE1 3.76Å; H125-H301 AromaticContact CE1-NE2 3.87Å; H125-H301 AromaticContact NE2-CE1 3.29Å; H125-H301 PolarHBondContact NE2-CE1 3.47Å; H125-H301 VanDerWaalsContact NE2-CE1 3.29Å; H125-H301 AromaticContact NE2-NE2 3.36Å; H125-H301 PolarHBondContact NE2-NE2 3.08Å; H125-P305 WeakPolarHBondContact CB-O 3.34Å; H125-P305 PolarHBondContact ND1-O 2.99Å
126	R	98.7	Very high	98.8	Very high	45 Å²	45	27.5 Å²	27.5	17%	0.17	13%	0.131	C	C	.	.			trans	52	39.1	-179.7	-59.7	-67.8	-177.5	-175.1	12.2	113.5	M50 R121 L122 Y128 D204 E208	M50-R126 HydrophobicContact CB-CB 4.12Å; M50-R126 HydrophobicContact CB-CG 4.24Å; M50-R126 HydrophobicContact CG-CB 4.33Å; M50-R126 HydrophobicContact CG-CG 4.23Å; R121-R126 PolarHBondContact O-N 3.07Å; L122-R126 WeakPolarHBondContact O-CA 3.42Å; L122-R126 WeakPolarHBondContact O-CD 3.38Å; L122-R126 PolarHBondContact O-N 3.37Å; R126-Y128 VanDerWaalsContact C-N 3.31Å; R126-Y128 PolarHBondContact O-N 3.44Å; R126-D204 IonicContact CZ-OD2 3.7Å; R126-D204 VanDerWaalsContact CZ-OD2 3.25Å; R126-D204 IonicContact NE-OD2 3.43Å; R126-D204 PolarHBondContact NE-OD2 2.8Å; R126-D204 PolarHBondContact NH2-O 2.88Å; R126-D204 IonicContact NH2-OD2 2.62Å; R126-D204 PolarHBondContact NH2-OD2 3.01Å; R126-E208 IonicContact CZ-OE2 3.19Å; R126-E208 IonicContact NH1-OE2 3.31Å; R126-E208 PolarHBondContact NH1-OE2 3.26Å; R126-E208 IonicContact NH2-OE2 2.65Å; R126-E208 PolarHBondContact NH2-OE2 2.87Å
127	T	98.7	Very high	98.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.147	C	C	.	.			trans	-80.7	-13.1	-176.1	60.5	0	0	0	0	113.9	R121 H125 Y306 Y308 K337	R121-T127 PolarHBondContact O-N 3.04Å; R121-T127 VanDerWaalsContact O-N 3.14Å; R121-T127 PolarHBondContact O-OG1 3.23Å; H125-T127 HydrophobicContact CB-CG2 3.52Å; H125-T127 PolarHBondContact O-N 3.06Å; H125-T127 VanDerWaalsContact O-N 3.15Å; T127-Y306 WeakPolarHBondContact CG2-O 3.28Å; T127-Y308 VanDerWaalsContact CB-CA 3.42Å; T127-Y308 VanDerWaalsContact OG1-CA 3.28Å; T127-Y308 WeakPolarHBondContact OG1-CA 3.38Å; T127-Y308 WeakPolarHBondContact OG1-CB 3.29Å; T127-K337 WeakPolarHBondContact O-CB 3.27Å; T127-K337 WeakPolarHBondContact O-CG 3.5Å; T127-K337 PolarHBondContact O-N 2.53Å
128	Y	98.8	Very high	98.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.008	15%	0.147	C	C	.	.	S	Bend	trans	-150.5	168.7	171.8	75.7	-77.4	0	0	0	110.4	A117 R121 L122 R126 A130 L134 L138 I324 A333 D335	A117-Y128 WeakPolarHBondContact O-CE1 3.46Å; A117-Y128 PolarHBondContact O-OH 3.42Å; R121-Y128 HydrophobicContact CB-CE1 4.22Å; L122-Y128 HydrophobicContact CB-CD1 4.45Å; L122-Y128 HydrophobicContact CB-CE1 3.6Å; L122-Y128 HydrophobicContact CD1-CD1 4.42Å; L122-Y128 HydrophobicContact CD1-CD2 4.35Å; L122-Y128 HydrophobicContact CD1-CE1 4.12Å; L122-Y128 HydrophobicContact CD1-CE2 4.05Å; L122-Y128 VanDerWaalsContact CD1-O 3.32Å; L122-Y128 WeakPolarHBondContact CD1-O 3.24Å; L122-Y128 HydrophobicContact CG-CE1 4.39Å; R126-Y128 VanDerWaalsContact C-N 3.31Å; R126-Y128 PolarHBondContact O-N 3.44Å; Y128-A130 HydrophobicContact CE2-CB 3.93Å; Y128-L134 HydrophobicContact CE2-CD2 4.23Å; Y128-L138 VanDerWaalsContact OH-CD1 3.31Å; Y128-L138 WeakPolarHBondContact OH-CD1 3.42Å; Y128-I324 HydrophobicContact CD1-CD1 4.45Å; Y128-I324 HydrophobicContact CD2-CG2 4.24Å; Y128-I324 HydrophobicContact CE1-CD1 4.02Å; Y128-I324 HydrophobicContact CE1-CG1 4.39Å; Y128-I324 HydrophobicContact CE2-CG2 4.34Å; Y128-I324 HydrophobicContact CG-CG2 4.36Å; Y128-A333 HydrophobicContact CD2-CB 3.9Å; Y128-A333 HydrophobicContact CE2-CB 4.06Å; Y128-D335 WeakPolarHBondContact CA-O 3.32Å
129	K	98.8	Very high	98.8	Very high	75 Å²	75	31.6 Å²	31.6	33%	0.326	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.5	175.3	-66.2	-178.1	170.6	79.8	0	109.8	E49 A333 Y334 D335	E49-K129 IonicContact OE1-NZ 3.95Å; E49-K129 PolarHBondContact OE1-NZ 3Å; K129-A333 CarbonylContact O-C 3.53Å; K129-A333 VanDerWaalsContact O-CA 3.32Å; K129-A333 WeakPolarHBondContact O-CA 3.43Å; K129-Y334 HydrophobicContact CB-CD1 4.08Å; K129-Y334 HydrophobicContact CB-CD2 4.05Å; K129-Y334 HydrophobicContact CB-CE1 3.68Å; K129-Y334 HydrophobicContact CB-CE2 3.66Å; K129-Y334 HydrophobicContact CB-CG 4.25Å; K129-Y334 VanDerWaalsContact CB-CZ 3.45Å; K129-Y334 HydrophobicContact CD-CE2 3.7Å; K129-Y334 HydrophobicContact CG-CE2 4.26Å; K129-Y334 PolarHBondContact N-O 3.34Å; K129-Y334 PolarHBondContact O-N 3.17Å; K129-D335 HydrophobicContact CB-CB 4.38Å; K129-D335 HydrophobicContact CD-CB 4.17Å; K129-D335 HydrophobicContact CG-CB 4.17Å; K129-D335 IonicContact NZ-OD2 3.25Å; K129-D335 PolarHBondContact NZ-OD2 2.95Å
130	A	98.8	Very high	98.8	Very high	12 Å²	12	35 Å²	35	10%	0.099	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.8	-179.9	0	0	0	0	0	111	L122 Y128 L134 R135	L122-A130 HydrophobicContact CD1-CB 3.95Å; L122-A130 HydrophobicContact CD2-CB 3.84Å; Y128-A130 HydrophobicContact CE2-CB 3.93Å; A130-L134 HydrophobicContact CB-CB 4.36Å; A130-L134 HydrophobicContact CB-CD2 3.79Å; A130-L134 HydrophobicContact CB-CG 4.12Å; A130-R135 HydrophobicContact CB-CG 3.64Å; A130-R135 WeakPolarHBondContact O-CD 3.48Å
131	R	98.7	Very high	98.8	Very high	118 Å²	118	34.6 Å²	34.6	45%	0.445	17%	0.165	S	C	.	.			trans	-75.1	164.7	171	-67.4	-171.4	173.1	70.9	2	110.6	P133 L134 R135 G331 L332 Y334	R131-P133 VanDerWaalsContact C-CD 3.49Å; R131-L134 PolarHBondContact O-N 2.96Å; R131-R135 WeakPolarHBondContact O-CG 3.36Å; R131-R135 PolarHBondContact O-N 3.37Å; R131-G331 VanDerWaalsContact CD-O 3.27Å; R131-G331 WeakPolarHBondContact CD-O 3.42Å; R131-G331 VanDerWaalsContact CZ-O 3.3Å; R131-G331 PolarHBondContact NH1-O 3.41Å; R131-L332 PolarHBondContact N-O 2.97Å; R131-Y334 HydrophobicContact CG-CE1 4.27Å
132	L	98.7	Very high	98.8	Very high	96 Å²	96	34.5 Å²	34.5	50%	0.503	17%	0.165	S	C	.	.	H	α-helix	trans	-54.2	-42.8	-174	-176.2	63	0	0	0	114.3	L134 R135 I136 L210	L132-L134 PolarHBondContact O-N 3Å; L132-R135 PolarHBondContact O-N 2.63Å; L132-I136 HydrophobicContact CD1-CD1 3.99Å; L132-I136 HydrophobicContact CD1-CG1 4.01Å; L132-I136 HydrophobicContact CD2-CD1 4.41Å; L132-I136 HydrophobicContact CG-CD1 3.8Å; L132-I136 HydrophobicContact CG-CG1 4.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 2.72Å; L132-L210 HydrophobicContact CD1-CD2 4.49Å
133	P	98.7	Very high	98.8	Very high	79 Å²	79	34.8 Å²	34.8	51%	0.513	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-44.7	179.5	-25.4	35.4	0	0	0	113.2	R131 I136 F137 L332	R131-P133 VanDerWaalsContact C-CD 3.49Å; P133-I136 PolarHBondContact O-N 3.17Å; P133-F137 PolarHBondContact O-N 3.24Å; P133-L332 HydrophobicContact CB-CD2 4.13Å; P133-L332 HydrophobicContact CG-CD2 4.18Å
134	L	98.8	Very high	98.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-40.5	176.8	176.7	59.5	0	0	0	111.8	Y128 A130 R131 L132 I136 F137 L138 F323 M327 L332 A333	Y128-L134 HydrophobicContact CE2-CD2 4.23Å; A130-L134 HydrophobicContact CB-CB 4.36Å; A130-L134 HydrophobicContact CB-CD2 3.79Å; A130-L134 HydrophobicContact CB-CG 4.12Å; R131-L134 PolarHBondContact O-N 2.96Å; L132-L134 PolarHBondContact O-N 3Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 3.26Å; L134-F137 HydrophobicContact CD1-CD1 4.19Å; L134-F137 WeakPolarHBondContact O-CB 3.36Å; L134-F137 PolarHBondContact O-N 2.9Å; L134-L138 HydrophobicContact CD1-CD1 3.95Å; L134-L138 HydrophobicContact CD1-CG 3.94Å; L134-L138 HydrophobicContact CG-CD1 3.86Å; L134-L138 HydrophobicContact CG-CG 4.29Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.45Å; L134-F323 HydrophobicContact CD1-CE1 4.04Å; L134-F323 HydrophobicContact CD1-CZ 3.79Å; L134-M327 HydrophobicContact CD1-CB 4.47Å; L134-M327 HydrophobicContact CD1-CG 3.76Å; L134-M327 HydrophobicContact CD1-SD 4.01Å; L134-M327 HydrophobicContact CD2-CB 3.85Å; L134-M327 HydrophobicContact CD2-CG 4.04Å; L134-L332 HydrophobicContact CB-CB 4.08Å; L134-L332 HydrophobicContact CD2-CB 4.41Å; L134-A333 HydrophobicContact CD2-CB 3.97Å
135	R	98.9	Very high	98.8	Very high	58 Å²	58	35.9 Å²	35.9	22%	0.219	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-38.1	176.2	-72.1	168.6	56.6	-149.3	-6.5	112.2	L122 W123 A130 R131 L132 I139 E208 L210	L122-R135 HydrophobicContact CD2-CG 4.15Å; W123-R135 HydrophobicContact CZ2-CB 4.5Å; A130-R135 HydrophobicContact CB-CG 3.64Å; A130-R135 WeakPolarHBondContact O-CD 3.48Å; R131-R135 WeakPolarHBondContact O-CG 3.36Å; R131-R135 PolarHBondContact O-N 3.37Å; L132-R135 PolarHBondContact O-N 2.63Å; R135-I139 WeakPolarHBondContact O-CB 3.3Å; R135-I139 PolarHBondContact O-N 2.91Å; R135-E208 IonicContact CZ-OE1 2.92Å; R135-E208 IonicContact NE-OE1 3.94Å; R135-E208 PolarHBondContact NE-OE1 3.42Å; R135-E208 IonicContact NH2-OE1 3.93Å; R135-E208 PolarHBondContact NH2-OE1 3.43Å; R135-L210 HydrophobicContact CB-CD2 3.73Å; R135-L210 WeakPolarHBondContact O-CD2 3.21Å
136	I	98.8	Very high	98.8	Very high	72 Å²	72	37 Å²	37	37%	0.369	18%	0.177	S	C	.	.	H	α-helix	trans	-64.8	-44.7	173.6	-70.7	170.2	0	0	0	110.6	L132 P133 L134 I139 I140 L210	L132-I136 HydrophobicContact CD1-CD1 3.99Å; L132-I136 HydrophobicContact CD1-CG1 4.01Å; L132-I136 HydrophobicContact CD2-CD1 4.41Å; L132-I136 HydrophobicContact CG-CD1 3.8Å; L132-I136 HydrophobicContact CG-CG1 4.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 2.72Å; P133-I136 PolarHBondContact O-N 3.17Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 3.26Å; I136-I139 WeakPolarHBondContact O-CG2 3.38Å; I136-I140 HydrophobicContact CG2-CD1 3.8Å; I136-I140 WeakPolarHBondContact O-CD1 3.29Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.48Å; I136-I140 PolarHBondContact O-N 2.69Å; I136-L210 HydrophobicContact CG1-CD1 4.38Å; I136-L210 HydrophobicContact CG1-CD2 4.12Å
137	F	98.8	Very high	98.8	Very high	76 Å²	76	35.7 Å²	35.7	33%	0.333	17%	0.173	S	C	.	.	H	α-helix	trans	-58.2	-51.5	174.8	169	-97.8	0	0	0	111.4	I110 P133 L134 I139 I140 A141 F323	I110-F137 HydrophobicContact CG2-CE2 4.33Å; I110-F137 HydrophobicContact CG2-CZ 4.22Å; P133-F137 PolarHBondContact O-N 3.24Å; L134-F137 HydrophobicContact CD1-CD1 4.19Å; L134-F137 WeakPolarHBondContact O-CB 3.36Å; L134-F137 PolarHBondContact O-N 2.9Å; F137-I139 PolarHBondContact O-N 3.01Å; F137-I140 PolarHBondContact O-N 3.19Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 2.96Å; F137-F323 AromaticContact CD1-CZ 3.94Å; F137-F323 HydrophobicContact CD1-CZ 3.94Å; F137-F323 HydrophobicContact CE1-CE1 4.34Å; F137-F323 HydrophobicContact CE1-CE2 4.05Å; F137-F323 AromaticContact CE1-CZ 3.52Å; F137-F323 HydrophobicContact CE1-CZ 3.52Å; F137-F323 HydrophobicContact CZ-CZ 4.44Å
138	L	98.9	Very high	98.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-34.6	-176.7	-69.2	173.9	0	0	0	112.9	A117 L122 W123 Y128 L134 N142 F323	A117-L138 HydrophobicContact CB-CD2 3.89Å; L122-L138 HydrophobicContact CD2-CD1 3.83Å; W123-L138 HydrophobicContact CH2-CB 3.66Å; W123-L138 HydrophobicContact CZ3-CB 3.95Å; Y128-L138 VanDerWaalsContact OH-CD1 3.31Å; Y128-L138 WeakPolarHBondContact OH-CD1 3.42Å; L134-L138 HydrophobicContact CD1-CD1 3.95Å; L134-L138 HydrophobicContact CD1-CG 3.94Å; L134-L138 HydrophobicContact CG-CD1 3.86Å; L134-L138 HydrophobicContact CG-CG 4.29Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.45Å; L138-N142 VanDerWaalsContact O-CB 3.22Å; L138-N142 WeakPolarHBondContact O-CB 3.11Å; L138-N142 PolarHBondContact O-N 3.38Å; L138-F323 HydrophobicContact CD2-CE1 4.11Å
139	I	98.8	Very high	98.7	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-71.3	-36.1	178	-155.2	67.8	0	0	0	111.3	W123 R135 I136 F137 T143 V150 L210 Q214	W123-I139 HydrophobicContact CH2-CB 4.12Å; W123-I139 HydrophobicContact CH2-CD1 3.9Å; W123-I139 HydrophobicContact CZ2-CD1 4.21Å; W123-I139 HydrophobicContact CZ3-CD1 4.29Å; R135-I139 WeakPolarHBondContact O-CB 3.3Å; R135-I139 PolarHBondContact O-N 2.91Å; I136-I139 WeakPolarHBondContact O-CG2 3.38Å; F137-I139 PolarHBondContact O-N 3.01Å; I139-T143 WeakPolarHBondContact O-CB 3.5Å; I139-T143 PolarHBondContact O-N 2.96Å; I139-T143 VanDerWaalsContact O-N 3.07Å; I139-T143 PolarHBondContact O-OG1 2.87Å; I139-V150 HydrophobicContact CD1-CB 4.27Å; I139-V150 HydrophobicContact CD1-CG2 3.53Å; I139-L210 HydrophobicContact CB-CD2 4.27Å; I139-L210 HydrophobicContact CB-CG 4.36Å; I139-L210 HydrophobicContact CG1-CG 4.4Å; I139-L210 HydrophobicContact CG2-CD1 4.08Å; I139-L210 HydrophobicContact CG2-CD2 4Å; I139-L210 HydrophobicContact CG2-CG 4.02Å; I139-Q214 HydrophobicContact CD1-CB 3.73Å; I139-Q214 VanDerWaalsContact CD1-CD 3.41Å; I139-Q214 HydrophobicContact CD1-CG 3.88Å; I139-Q214 HydrophobicContact CG1-CB 3.55Å; I139-Q214 HydrophobicContact CG1-CG 3.71Å
140	I	98.8	Very high	98.7	Very high	72 Å²	72	32.8 Å²	32.8	37%	0.369	16%	0.161	S	C	.	.	H	α-helix	trans	-67.3	-48.8	174.3	-69.1	166.2	0	0	0	109.4	I136 F137 N142 T143 M144 L225	I136-I140 HydrophobicContact CG2-CD1 3.8Å; I136-I140 WeakPolarHBondContact O-CD1 3.29Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.48Å; I136-I140 PolarHBondContact O-N 2.69Å; F137-I140 PolarHBondContact O-N 3.19Å; I140-N142 PolarHBondContact O-N 3.13Å; I140-T143 WeakPolarHBondContact O-CB 3.3Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.08Å; I140-M144 HydrophobicContact CG2-CE 3.63Å; I140-M144 WeakPolarHBondContact O-CG 3.42Å; I140-M144 PolarHBondContact O-N 2.95Å; I140-L225 HydrophobicContact CG2-CD1 4.03Å; I140-L225 HydrophobicContact CG2-CD2 4.38Å
141	A	98.9	Very high	98.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-44.9	175.7	0	0	0	0	0	112.8	I110 F137 T143 M144 A145	I110-A141 HydrophobicContact CG2-CB 3.72Å; I110-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 2.96Å; A141-T143 VanDerWaalsContact C-N 3.28Å; A141-T143 PolarHBondContact O-N 3.3Å; A141-M144 VanDerWaalsContact O-CB 3.3Å; A141-M144 WeakPolarHBondContact O-CB 3.4Å; A141-M144 PolarHBondContact O-N 3.21Å; A141-M144 VanDerWaalsContact O-N 3.17Å; A141-A145 PolarHBondContact O-N 2.87Å
142	N	98.8	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-36.8	174.9	179.9	-98.9	0	0	0	112.2	G114 V119 L138 I140 M144 A145 F146 V150 Q214	G114-N142 WeakPolarHBondContact O-CB 3.47Å; G114-N142 PolarHBondContact O-ND2 3.3Å; V119-N142 WeakPolarHBondContact CB-ND2 3.41Å; L138-N142 VanDerWaalsContact O-CB 3.22Å; L138-N142 WeakPolarHBondContact O-CB 3.11Å; L138-N142 PolarHBondContact O-N 3.38Å; I140-N142 PolarHBondContact O-N 3.13Å; N142-M144 VanDerWaalsContact C-N 3.32Å; N142-M144 PolarHBondContact O-N 2.95Å; N142-A145 WeakPolarHBondContact O-CB 3.29Å; N142-A145 PolarHBondContact O-N 3.19Å; N142-A145 VanDerWaalsContact O-N 3.17Å; N142-F146 PolarHBondContact O-N 3.4Å; N142-V150 HydrophobicContact CB-CG2 4.45Å; N142-V150 WeakPolarHBondContact OD1-CG2 3.31Å; N142-Q214 PolarHBondContact OD1-NE2 3.12Å
143	T	98.8	Very high	98.7	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-31.9	177.3	-51.3	0	0	0	0	111.8	I139 I140 A141 A145 F146 Q214 G221 I222 L225	I139-T143 WeakPolarHBondContact O-CB 3.5Å; I139-T143 PolarHBondContact O-N 2.96Å; I139-T143 VanDerWaalsContact O-N 3.07Å; I139-T143 PolarHBondContact O-OG1 2.87Å; I140-T143 WeakPolarHBondContact O-CB 3.3Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.08Å; A141-T143 VanDerWaalsContact C-N 3.28Å; A141-T143 PolarHBondContact O-N 3.3Å; T143-A145 VanDerWaalsContact C-N 3.28Å; T143-A145 PolarHBondContact O-N 2.92Å; T143-F146 PolarHBondContact O-N 3.36Å; T143-Q214 PolarHBondContact OG1-NE2 3.3Å; T143-G221 VanDerWaalsContact CG2-C 3.45Å; T143-I222 HydrophobicContact CG2-CG2 3.97Å; T143-L225 HydrophobicContact CG2-CB 4.46Å; T143-L225 HydrophobicContact CG2-CD1 3.79Å
144	M	98.8	Very high	98.7	Very high	22 Å²	22	22.4 Å²	22.4	11%	0.108	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-37.6	170.3	-62.7	177.4	-169	0	0	112	Y107 I110 S111 I140 A141 N142 F146 L225 C226	Y107-M144 HydrophobicContact CD1-CB 4.41Å; Y107-M144 HydrophobicContact CD1-SD 4.22Å; Y107-M144 HydrophobicContact CE1-CB 3.73Å; Y107-M144 HydrophobicContact CE1-CG 3.71Å; Y107-M144 HydrophobicContact CE1-SD 3.69Å; Y107-M144 HydrophobicContact CE2-SD 4.22Å; I110-M144 HydrophobicContact CB-SD 4.5Å; I110-M144 HydrophobicContact CG2-CE 4.27Å; I110-M144 HydrophobicContact CG2-SD 3.7Å; S111-M144 WeakPolarHBondContact OG-CB 3.34Å; I140-M144 HydrophobicContact CG2-CE 3.63Å; I140-M144 WeakPolarHBondContact O-CG 3.42Å; I140-M144 PolarHBondContact O-N 2.95Å; A141-M144 VanDerWaalsContact O-CB 3.3Å; A141-M144 WeakPolarHBondContact O-CB 3.4Å; A141-M144 PolarHBondContact O-N 3.21Å; A141-M144 VanDerWaalsContact O-N 3.17Å; N142-M144 VanDerWaalsContact C-N 3.32Å; N142-M144 PolarHBondContact O-N 2.95Å; M144-F146 VanDerWaalsContact C-N 3.31Å; M144-F146 PolarHBondContact O-N 3.25Å; M144-L225 HydrophobicContact CG-CB 3.98Å; M144-C226 PolarHBondContact O-SG 2.99Å
145	A	98.7	Very high	98.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-72.7	-20.1	-176	0	0	0	0	0	114.4	I115 A141 N142 T143 Q147 Y254 V257	I115-A145 HydrophobicContact CD1-CB 3.88Å; I115-A145 HydrophobicContact CG1-CB 3.84Å; A141-A145 PolarHBondContact O-N 2.87Å; N142-A145 WeakPolarHBondContact O-CB 3.29Å; N142-A145 PolarHBondContact O-N 3.19Å; N142-A145 VanDerWaalsContact O-N 3.17Å; T143-A145 VanDerWaalsContact C-N 3.28Å; T143-A145 PolarHBondContact O-N 2.92Å; A145-Q147 WeakPolarHBondContact O-CG 3.38Å; A145-Q147 PolarHBondContact O-N 3.31Å; A145-Y254 WeakPolarHBondContact O-CE2 3.38Å; A145-V257 HydrophobicContact CB-CG1 4.42Å
146	F	98.7	Very high	98.7	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.105	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	57.5	176.2	-176.5	-154.4	0	0	0	114.8	N142 T143 M144 Y218 I222 C226 F227 Y254	N142-F146 PolarHBondContact O-N 3.4Å; T143-F146 PolarHBondContact O-N 3.36Å; M144-F146 VanDerWaalsContact C-N 3.31Å; M144-F146 PolarHBondContact O-N 3.25Å; F146-Y218 HydrophobicContact CD2-CE1 4.15Å; F146-Y218 HydrophobicContact CE2-CE1 4.29Å; F146-I222 HydrophobicContact CB-CG2 4.28Å; F146-I222 HydrophobicContact CD2-CB 4.09Å; F146-I222 HydrophobicContact CD2-CD1 3.64Å; F146-I222 HydrophobicContact CD2-CG1 4.45Å; F146-I222 HydrophobicContact CD2-CG2 3.76Å; F146-I222 HydrophobicContact CE1-CD1 4.19Å; F146-I222 HydrophobicContact CE2-CD1 3.25Å; F146-I222 HydrophobicContact CE2-CG1 4.46Å; F146-I222 HydrophobicContact CE2-CG2 4.46Å; F146-I222 HydrophobicContact CG-CB 4.21Å; F146-I222 HydrophobicContact CG-CD1 4.28Å; F146-I222 HydrophobicContact CG-CG2 4.15Å; F146-I222 HydrophobicContact CZ-CD1 3.56Å; F146-C226 HydrophobicContact CB-CB 4.01Å; F146-F227 AromaticContact CD1-CE2 3.74Å; F146-F227 HydrophobicContact CD1-CE2 3.74Å; F146-F227 AromaticContact CD1-CZ 3.89Å; F146-F227 HydrophobicContact CD1-CZ 3.89Å; F146-F227 AromaticContact CE1-CE2 3.86Å; F146-F227 HydrophobicContact CE1-CE2 3.86Å; F146-F227 AromaticContact CE1-CZ 3.96Å; F146-F227 HydrophobicContact CE1-CZ 3.96Å; F146-Y254 HydrophobicContact CB-CE2 3.85Å; F146-Y254 AromaticContact CD1-CE1 3.8Å; F146-Y254 HydrophobicContact CD1-CE1 3.8Å; F146-Y254 HydrophobicContact CD1-CE2 4.16Å; F146-Y254 AromaticContact CD1-CZ 3.41Å; F146-Y254 VanDerWaalsContact CD1-CZ 3.41Å; F146-Y254 WeakPolarHBondContact CD1-OH 3.44Å; F146-Y254 HydrophobicContact CE1-CE1 4.29Å; F146-Y254 HydrophobicContact CG-CE2 4.36Å; F146-Y254 AromaticContact CG-CZ 3.95Å; F146-Y254 WeakPolarHBondContact CG-OH 3.45Å; F146-Y254 PolarHBondContact O-OH 2.96Å
147	Q	98.5	Very high	98.6	Very high	19 Å²	19	20.6 Å²	20.6	9%	0.089	9%	0.093	C	C	.	.	S	Bend	trans	-112.9	31.8	176	-60	-164.7	6	0	0	113.9	I115 A145 W153 Y218 L258 T261	I115-Q147 HydrophobicContact CD1-CG 4.39Å; A145-Q147 WeakPolarHBondContact O-CG 3.38Å; A145-Q147 PolarHBondContact O-N 3.31Å; Q147-W153 VanDerWaalsContact O-CD1 3.29Å; Q147-Y218 PolarHBondContact N-OH 2.87Å; Q147-L258 HydrophobicContact CG-CD2 3.92Å; Q147-T261 VanDerWaalsContact NE2-CB 3.34Å; Q147-T261 PolarHBondContact NE2-OG1 3.38Å; Q147-T261 VanDerWaalsContact OE1-CG2 3.23Å
148	N	97.9	Very high	98.6	Very high	9 Å²	9	17 Å²	17	5%	0.048	8%	0.077	C	C	.	.	S	Bend	trans	78.6	161.2	-164.9	-50.3	-29.4	0	0	0	112.5	M1 E152 Y218	M1-N148 PolarHBondContact N-OD1 2.96Å; M1-N148 PolarHBondContact O-OD1 3.23Å; N148-E152 HydrophobicContact CB-CB 4.22Å; N148-E152 HydrophobicContact CB-CG 4.14Å; N148-Y218 WeakPolarHBondContact CA-OH 3.26Å; N148-Y218 PolarHBondContact N-OH 3.12Å; N148-Y218 PolarHBondContact O-OH 3.09Å
149	D	98.7	Very high	98.6	Very high	8 Å²	8	17 Å²	17	4%	0.043	8%	0.077	C	C	.	.			trans	-68.5	157.4	179.6	63.3	95	0	0	0	110.9	Y151 E152 W153 R215 Y218	D149-Y151 PolarHBondContact O-N 2.98Å; D149-Y151 VanDerWaalsContact O-N 3.09Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.37Å; D149-Y151 PolarHBondContact OD1-N 3.38Å; D149-E152 PolarHBondContact O-N 3.21Å; D149-E152 PolarHBondContact OD1-N 3.06Å; D149-W153 PolarHBondContact O-N 2.98Å; D149-R215 HydrophobicContact CB-CB 4.31Å; D149-R215 WeakPolarHBondContact OD1-CG 3.25Å; D149-R215 IonicContact OD1-CZ 3.98Å; D149-R215 IonicContact OD1-NH1 2.89Å; D149-R215 PolarHBondContact OD1-NH1 3.04Å; D149-R215 IonicContact OD2-CZ 3.81Å; D149-R215 IonicContact OD2-NH1 3.8Å; D149-R215 PolarHBondContact OD2-NH1 3.12Å; D149-Y218 HydrophobicContact CB-CD1 4.44Å; D149-Y218 HydrophobicContact CB-CD2 3.61Å; D149-Y218 HydrophobicContact CB-CE2 3.93Å; D149-Y218 HydrophobicContact CB-CG 3.89Å; D149-Y218 VanDerWaalsContact N-CZ 3.35Å
150	V	98.8	Very high	98.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-52.4	-38.1	-174.5	162.2	0	0	0	0	112.6	V119 W123 I139 N142 A154 V211	V119-V150 HydrophobicContact CB-CG2 4.23Å; V119-V150 HydrophobicContact CG2-CB 4.11Å; V119-V150 HydrophobicContact CG2-CG1 4.12Å; V119-V150 HydrophobicContact CG2-CG2 3.92Å; W123-V150 HydrophobicContact CB-CG1 3.6Å; W123-V150 HydrophobicContact CD2-CG1 3.7Å; W123-V150 HydrophobicContact CD2-CG2 4.31Å; W123-V150 HydrophobicContact CE3-CG1 3.9Å; W123-V150 HydrophobicContact CE3-CG2 3.74Å; W123-V150 HydrophobicContact CG-CG1 3.57Å; W123-V150 HydrophobicContact CZ3-CG2 3.95Å; I139-V150 HydrophobicContact CD1-CB 4.27Å; I139-V150 HydrophobicContact CD1-CG2 3.53Å; N142-V150 HydrophobicContact CB-CG2 4.45Å; N142-V150 WeakPolarHBondContact OD1-CG2 3.31Å; V150-A154 WeakPolarHBondContact O-CB 3.16Å; V150-A154 PolarHBondContact O-N 3.39Å; V150-V211 HydrophobicContact CB-CG1 3.98Å; V150-V211 HydrophobicContact CG1-CB 4.5Å; V150-V211 HydrophobicContact CG1-CG1 3.69Å; V150-V211 HydrophobicContact CG1-CG2 4.01Å
151	Y	98.8	Very high	98.6	Very high	29 Å²	29	13.2 Å²	13.2	11%	0.114	6%	0.058	C	C	.	.	H	α-helix	trans	-67.3	-45.6	-179.6	178	-86.2	0	0	0	112.2	D149 R155 M202 L205 K206 M212	D149-Y151 PolarHBondContact O-N 2.98Å; D149-Y151 VanDerWaalsContact O-N 3.09Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.37Å; D149-Y151 PolarHBondContact OD1-N 3.38Å; Y151-R155 WeakPolarHBondContact O-CB 3.5Å; Y151-R155 PolarHBondContact O-N 2.8Å; Y151-R155 VanDerWaalsContact O-N 3.12Å; Y151-M202 HydrophobicContact CE2-CB 3.67Å; Y151-M202 HydrophobicContact CE2-CG 4.42Å; Y151-L205 HydrophobicContact CD2-CB 3.97Å; Y151-L205 HydrophobicContact CD2-CD1 4.49Å; Y151-K206 HydrophobicContact CD2-CG 4.48Å; Y151-K206 HydrophobicContact CE2-CD 4.46Å; Y151-K206 HydrophobicContact CE2-CG 3.72Å; Y151-K206 WeakPolarHBondContact OH-CE 3.29Å; Y151-M212 HydrophobicContact CD2-CE 3.63Å; Y151-M212 HydrophobicContact CG-CE 3.97Å
152	E	98.3	Very high	98.5	Very high	20 Å²	20	14.9 Å²	14.9	9%	0.093	7%	0.065	C	C	.	.	H	α-helix	trans	-67.5	-44.9	178.9	179	166.2	176.2	0	0	111.6	N148 D149 R155 D156	N148-E152 HydrophobicContact CB-CB 4.22Å; N148-E152 HydrophobicContact CB-CG 4.14Å; D149-E152 PolarHBondContact O-N 3.21Å; D149-E152 PolarHBondContact OD1-N 3.06Å; E152-R155 PolarHBondContact O-N 3.15Å; E152-D156 PolarHBondContact O-N 3.09Å; E152-D156 VanDerWaalsContact O-N 3.13Å
153	W	98.7	Very high	98.5	Very high	37 Å²	37	15.2 Å²	15.2	14%	0.14	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-49.1	178.3	-166.1	107.9	0	0	0	111	I115 V119 H120 S124 Q147 D149 R155 D156 H157	I115-W153 HydrophobicContact CG2-CZ2 4.13Å; V119-W153 HydrophobicContact CB-CD2 4.24Å; V119-W153 HydrophobicContact CB-CE3 4.16Å; V119-W153 HydrophobicContact CG1-CD2 3.5Å; V119-W153 VanDerWaalsContact CG1-CD2 3.5Å; V119-W153 HydrophobicContact CG1-CE3 3.67Å; V119-W153 HydrophobicContact CG1-CG 3.98Å; V119-W153 HydrophobicContact CG1-CH2 4.16Å; V119-W153 HydrophobicContact CG1-CZ2 4Å; V119-W153 HydrophobicContact CG1-CZ3 3.99Å; V119-W153 HydrophobicContact CG2-CB 3.67Å; V119-W153 HydrophobicContact CG2-CD2 3.67Å; V119-W153 HydrophobicContact CG2-CE3 3.55Å; V119-W153 HydrophobicContact CG2-CG 3.73Å; V119-W153 HydrophobicContact CG2-CZ3 4.42Å; H120-W153 HydrophobicContact CB-CH2 3.88Å; H120-W153 HydrophobicContact CB-CZ3 4.19Å; H120-W153 AromaticContact CD2-CH2 3.99Å; S124-W153 VanDerWaalsContact OG-CZ3 3.28Å; S124-W153 WeakPolarHBondContact OG-CZ3 3.49Å; Q147-W153 VanDerWaalsContact O-CD1 3.29Å; D149-W153 PolarHBondContact O-N 2.98Å; W153-R155 VanDerWaalsContact C-N 3.35Å; W153-R155 PolarHBondContact O-N 3.22Å; W153-D156 PolarHBondContact O-N 3.44Å; W153-H157 HydrophobicContact CE3-CB 3.65Å; W153-H157 HydrophobicContact CH2-CB 4.11Å; W153-H157 AromaticContact CH2-CE1 3.99Å; W153-H157 AromaticContact CH2-CG 3.66Å; W153-H157 AromaticContact CH2-ND1 3.55Å; W153-H157 HydrophobicContact CZ3-CB 3.37Å; W153-H157 AromaticContact CZ3-CD2 3.74Å; W153-H157 AromaticContact CZ3-CG 3.28Å; W153-H157 AromaticContact CZ3-ND1 3.71Å; W153-H157 WeakPolarHBondContact O-CB 3.31Å; W153-H157 PolarHBondContact O-N 2.92Å
154	A	98.7	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.2	-34.2	-178.6	0	0	0	0	0	113.4	S124 V150 H157 R158 M202 L205	S124-A154 VanDerWaalsContact OG-CA 3.25Å; S124-A154 WeakPolarHBondContact OG-CA 3.23Å; S124-A154 VanDerWaalsContact OG-CB 3.26Å; S124-A154 WeakPolarHBondContact OG-CB 3.47Å; V150-A154 WeakPolarHBondContact O-CB 3.16Å; V150-A154 PolarHBondContact O-N 3.39Å; A154-H157 PolarHBondContact O-N 3.34Å; A154-R158 WeakPolarHBondContact O-CB 3.48Å; A154-R158 WeakPolarHBondContact O-CG 3.11Å; A154-R158 PolarHBondContact O-N 3.12Å; A154-M202 HydrophobicContact CB-CE 4.21Å; A154-L205 HydrophobicContact CB-CD1 3.46Å; A154-L205 VanDerWaalsContact CB-CD1 3.46Å
155	R	98.5	Very high	98.3	Very high	73 Å²	73	15 Å²	15	28%	0.275	7%	0.065	S	C	.	.	H	α-helix	trans	-63.1	-47	173.6	-178.9	-171.9	61.6	-165.4	-8.3	111	Y151 E152 W153 H157 A159 M202	Y151-R155 WeakPolarHBondContact O-CB 3.5Å; Y151-R155 PolarHBondContact O-N 2.8Å; Y151-R155 VanDerWaalsContact O-N 3.12Å; E152-R155 PolarHBondContact O-N 3.15Å; W153-R155 VanDerWaalsContact C-N 3.35Å; W153-R155 PolarHBondContact O-N 3.22Å; R155-H157 VanDerWaalsContact C-N 3.31Å; R155-A159 WeakPolarHBondContact O-CB 3.45Å; R155-A159 PolarHBondContact O-N 3.47Å; R155-A159 VanDerWaalsContact O-N 3.11Å; R155-M202 HydrophobicContact CB-CE 3.88Å; R155-M202 HydrophobicContact CB-SD 4.06Å; R155-M202 HydrophobicContact CG-CG 4.49Å; R155-M202 HydrophobicContact CG-SD 4.29Å
156	D	98.2	Very high	98.3	Very high	10 Å²	10	15.5 Å²	15.5	5%	0.053	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-40.3	178.4	-70.2	-11.6	0	0	0	110.7	E152 W153 A159 H160 P170 K189	E152-D156 PolarHBondContact O-N 3.09Å; E152-D156 VanDerWaalsContact O-N 3.13Å; W153-D156 PolarHBondContact O-N 3.44Å; D156-A159 PolarHBondContact O-N 3.11Å; D156-H160 WeakPolarHBondContact O-CB 3.39Å; D156-H160 PolarHBondContact O-N 3.1Å; D156-P170 HydrophobicContact CB-CB 4.5Å; D156-P170 HydrophobicContact CB-CG 3.94Å; D156-P170 WeakPolarHBondContact O-CG 3.25Å; D156-K189 IonicContact OD1-NZ 2.63Å; D156-K189 PolarHBondContact OD1-NZ 3.23Å; D156-K189 IonicContact OD2-NZ 2.77Å; D156-K189 PolarHBondContact OD2-NZ 3.33Å
157	H	98.6	Very high	98.2	Very high	11 Å²	11	15.8 Å²	15.8	5%	0.051	7%	0.07	C	C	.	.	H	α-helix	trans	-69.3	-40.5	179.3	-162.5	66.8	0	0	0	113.6	H120 H125 W153 A154 R155 A159 H160 H161 H301	H120-H157 AromaticContact CD2-CD2 3.71Å; H120-H157 AromaticContact CD2-CE1 3.77Å; H120-H157 AromaticContact CD2-NE2 3.14Å; H120-H157 PolarHBondContact CD2-NE2 2.92Å; H120-H157 AromaticContact NE2-CE1 3.77Å; H120-H157 AromaticContact NE2-NE2 3.2Å; H120-H157 PolarHBondContact NE2-NE2 3.19Å; H125-H157 AromaticContact CE1-CD2 3.75Å; H125-H157 AromaticContact CE1-NE2 3.67Å; H125-H157 AromaticContact NE2-CD2 3.18Å; H125-H157 PolarHBondContact NE2-CD2 3.49Å; H125-H157 AromaticContact NE2-NE2 2.93Å; H125-H157 PolarHBondContact NE2-NE2 2.66Å; W153-H157 HydrophobicContact CE3-CB 3.65Å; W153-H157 HydrophobicContact CH2-CB 4.11Å; W153-H157 AromaticContact CH2-CE1 3.99Å; W153-H157 AromaticContact CH2-CG 3.66Å; W153-H157 AromaticContact CH2-ND1 3.55Å; W153-H157 HydrophobicContact CZ3-CB 3.37Å; W153-H157 AromaticContact CZ3-CD2 3.74Å; W153-H157 AromaticContact CZ3-CG 3.28Å; W153-H157 AromaticContact CZ3-ND1 3.71Å; W153-H157 WeakPolarHBondContact O-CB 3.31Å; W153-H157 PolarHBondContact O-N 2.92Å; A154-H157 PolarHBondContact O-N 3.34Å; R155-H157 VanDerWaalsContact C-N 3.31Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.49Å; H157-H160 WeakPolarHBondContact O-CB 3.38Å; H157-H160 PolarHBondContact O-N 2.95Å; H157-H161 AromaticContact CD2-CD2 3.62Å; H157-H161 AromaticContact CD2-NE2 3.84Å; H157-H161 AromaticContact CE1-CD2 3.69Å; H157-H161 AromaticContact CE1-NE2 3.48Å; H157-H161 PolarHBondContact CE1-NE2 3.36Å; H157-H161 AromaticContact NE2-CD2 3.23Å; H157-H161 PolarHBondContact NE2-CD2 3.39Å; H157-H161 AromaticContact NE2-NE2 2.99Å; H157-H161 PolarHBondContact NE2-NE2 3.22Å; H157-H161 PolarHBondContact O-CD2 3.17Å; H157-H161 PolarHBondContact O-N 2.88Å; H157-H301 AromaticContact NE2-NE2 3.95Å
158	R	98.6	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-41.3	172.6	-72	168.8	-176.1	-167.7	3.6	111	M50 D53 W123 S124 A154 H161 K162 L200 D201 M202 D204	M50-R158 HydrophobicContact CE-CG 3.82Å; M50-R158 VanDerWaalsContact CE-CZ 3.48Å; D53-R158 HydrophobicContact CB-CG 4.48Å; W123-R158 PolarHBondContact O-NH2 3.18Å; S124-R158 PolarHBondContact O-NE 3.09Å; S124-R158 VanDerWaalsContact O-NE 3.12Å; A154-R158 WeakPolarHBondContact O-CB 3.48Å; A154-R158 WeakPolarHBondContact O-CG 3.11Å; A154-R158 PolarHBondContact O-N 3.12Å; R158-H161 PolarHBondContact O-N 2.99Å; R158-K162 WeakPolarHBondContact O-CB 3.47Å; R158-K162 PolarHBondContact O-N 3.05Å; R158-L200 HydrophobicContact CB-CD1 3.81Å; R158-D201 PolarHBondContact NH1-O 3.43Å; R158-M202 VanDerWaalsContact CD-SD 3.57Å; R158-M202 PolarHBondContact NH1-SD 2.89Å; R158-D204 IonicContact CZ-OD1 3.65Å; R158-D204 IonicContact CZ-OD2 2.67Å; R158-D204 IonicContact NH1-OD1 3.47Å; R158-D204 PolarHBondContact NH1-OD1 3.23Å; R158-D204 IonicContact NH1-OD2 2.71Å; R158-D204 IonicContact NH2-OD1 3.61Å; R158-D204 PolarHBondContact NH2-OD1 3.4Å; R158-D204 VanDerWaalsContact NH2-OD1 3.15Å; R158-D204 IonicContact NH2-OD2 3.63Å; R158-D204 PolarHBondContact NH2-OD2 2.79Å
159	A	98.3	Very high	98.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-64.6	-40.9	174.7	0	0	0	0	0	112.2	R155 D156 H157 K162 F163 L200	R155-A159 WeakPolarHBondContact O-CB 3.45Å; R155-A159 PolarHBondContact O-N 3.47Å; R155-A159 VanDerWaalsContact O-N 3.11Å; D156-A159 PolarHBondContact O-N 3.11Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.49Å; A159-K162 PolarHBondContact O-N 3.12Å; A159-F163 HydrophobicContact CB-CD2 4.41Å; A159-F163 WeakPolarHBondContact O-CD2 3.43Å; A159-F163 PolarHBondContact O-N 3.44Å; A159-L200 HydrophobicContact CB-CD1 3.82Å
160	H	98.4	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.9	-49.9	173.7	169.4	65.8	0	0	0	111.6	D156 H157 T164 D169 H171 H269 H302	D156-H160 WeakPolarHBondContact O-CB 3.39Å; D156-H160 PolarHBondContact O-N 3.1Å; H157-H160 WeakPolarHBondContact O-CB 3.38Å; H157-H160 PolarHBondContact O-N 2.95Å; H160-T164 WeakPolarHBondContact O-CA 3.48Å; H160-T164 WeakPolarHBondContact O-CB 3.35Å; H160-T164 PolarHBondContact O-N 2.82Å; H160-D169 IonicContact CE1-OD2 2.64Å; H160-D169 IonicContact CG-OD1 3.89Å; H160-D169 VanDerWaalsContact ND1-CG 3.28Å; H160-D169 IonicContact ND1-OD1 3.26Å; H160-D169 PolarHBondContact ND1-OD1 3.25Å; H160-D169 IonicContact ND1-OD2 3.83Å; H160-D169 PolarHBondContact ND1-OD2 2.96Å; H160-H171 AromaticContact CD2-NE2 3.54Å; H160-H171 AromaticContact CE1-CD2 3.56Å; H160-H171 AromaticContact CE1-NE2 3.43Å; H160-H171 PolarHBondContact CE1-NE2 3.48Å; H160-H171 AromaticContact CG-CD2 3.91Å; H160-H171 AromaticContact CG-CE1 3.87Å; H160-H171 AromaticContact CG-NE2 3.16Å; H160-H171 AromaticContact ND1-CD2 3.35Å; H160-H171 PolarHBondContact ND1-CD2 3.01Å; H160-H171 VanDerWaalsContact ND1-CD2 3.35Å; H160-H171 AromaticContact ND1-NE2 3.11Å; H160-H171 PolarHBondContact ND1-NE2 3.33Å; H160-H171 VanDerWaalsContact ND1-NE2 3.11Å; H160-H171 AromaticContact NE2-NE2 3.7Å; H160-H269 AromaticContact CE1-CE1 3.43Å; H160-H269 PolarHBondContact CE1-CE1 2.65Å; H160-H269 VanDerWaalsContact CE1-CE1 3.43Å; H160-H269 AromaticContact CE1-NE2 3.41Å; H160-H269 PolarHBondContact CE1-NE2 3.35Å; H160-H269 AromaticContact NE2-CE1 3.86Å; H160-H269 AromaticContact NE2-NE2 3.58Å; H160-H302 AromaticContact CD2-CE1 3.83Å; H160-H302 AromaticContact CE1-CE1 3.94Å; H160-H302 AromaticContact NE2-CE1 3.26Å; H160-H302 PolarHBondContact NE2-CE1 3.25Å; H160-H302 VanDerWaalsContact NE2-CE1 3.26Å; H160-H302 AromaticContact NE2-NE2 3.35Å; H160-H302 PolarHBondContact NE2-NE2 3.4Å
161	H	98.4	Very high	98.1	Very high	3 Å²	3	15 Å²	15	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-47.7	177.2	-87.8	-91.9	0	0	0	113.7	D53 H55 H125 H157 R158 H301 H302	D53-H161 HydrophobicContact CB-CB 4.11Å; D53-H161 WeakPolarHBondContact O-CB 3.09Å; H55-H161 WeakPolarHBondContact CA-O 3.42Å; H125-H161 AromaticContact CE1-CD2 3.5Å; H125-H161 PolarHBondContact CE1-CD2 2.86Å; H125-H161 VanDerWaalsContact CE1-CD2 3.5Å; H125-H161 AromaticContact CE1-CE1 3.64Å; H125-H161 AromaticContact CE1-CG 3.88Å; H125-H161 AromaticContact CE1-ND1 3.96Å; H125-H161 AromaticContact CE1-NE2 3.31Å; H125-H161 PolarHBondContact CE1-NE2 2.97Å; H125-H161 VanDerWaalsContact CE1-NE2 3.31Å; H125-H161 AromaticContact NE2-CD2 3.91Å; H125-H161 AromaticContact NE2-NE2 3.46Å; H125-H161 PolarHBondContact NE2-NE2 3.49Å; H157-H161 AromaticContact CD2-CD2 3.62Å; H157-H161 AromaticContact CD2-NE2 3.84Å; H157-H161 AromaticContact CE1-CD2 3.69Å; H157-H161 AromaticContact CE1-NE2 3.48Å; H157-H161 PolarHBondContact CE1-NE2 3.36Å; H157-H161 AromaticContact NE2-CD2 3.23Å; H157-H161 PolarHBondContact NE2-CD2 3.39Å; H157-H161 AromaticContact NE2-NE2 2.99Å; H157-H161 PolarHBondContact NE2-NE2 3.22Å; H157-H161 PolarHBondContact O-CD2 3.17Å; H157-H161 PolarHBondContact O-N 2.88Å; R158-H161 PolarHBondContact O-N 2.99Å; H161-H301 AromaticContact CE1-CD2 3.52Å; H161-H301 AromaticContact CE1-CE1 3.81Å; H161-H301 AromaticContact CE1-NE2 3.06Å; H161-H301 PolarHBondContact CE1-NE2 2.68Å; H161-H301 AromaticContact NE2-CD2 3.72Å; H161-H301 AromaticContact NE2-CE1 3.96Å; H161-H301 AromaticContact NE2-NE2 3.01Å; H161-H301 PolarHBondContact NE2-NE2 3.35Å; H161-H302 AromaticContact CE1-CD2 3.88Å; H161-H302 AromaticContact CE1-CE1 3.92Å; H161-H302 AromaticContact CE1-CG 3.97Å; H161-H302 AromaticContact CE1-ND1 4Å; H161-H302 AromaticContact CE1-NE2 3.82Å; H161-H302 AromaticContact ND1-ND1 3.92Å
162	K	98	Very high	98.1	Very high	37 Å²	37	13.8 Å²	13.8	16%	0.161	6%	0.061	C	C	.	.	H	α-helix	trans	-68.1	-38.4	-173.6	-173.9	171	-78.5	-166.4	0	111.7	E52 I54 D56 R158 A159 L200	E52-K162 WeakPolarHBondContact O-CE 3.36Å; E52-K162 IonicContact OE2-NZ 2.94Å; E52-K162 PolarHBondContact OE2-NZ 2.87Å; I54-K162 WeakPolarHBondContact O-CG 3.44Å; D56-K162 HydrophobicContact CB-CD 4.48Å; D56-K162 HydrophobicContact CB-CG 3.79Å; D56-K162 PolarHBondContact N-O 3.47Å; R158-K162 WeakPolarHBondContact O-CB 3.47Å; R158-K162 PolarHBondContact O-N 3.05Å; A159-K162 PolarHBondContact O-N 3.12Å; K162-L200 HydrophobicContact CD-CD2 3.79Å
163	F	97.9	Very high	98	Very high	7 Å²	7	13 Å²	13	3%	0.031	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	34.5	-174.1	-44.3	-67	0	0	0	112.2	D56 Y59 A159 T166 A168 D169 K196 L200	D56-F163 HydrophobicContact CB-CE1 4.47Å; Y59-F163 HydrophobicContact CD1-CB 4Å; Y59-F163 AromaticContact CD1-CD1 3.55Å; Y59-F163 HydrophobicContact CD1-CD1 3.55Å; Y59-F163 HydrophobicContact CD1-CE1 4.4Å; Y59-F163 HydrophobicContact CD1-CG 4.07Å; Y59-F163 HydrophobicContact CE1-CB 4.29Å; Y59-F163 HydrophobicContact CE1-CD1 4.28Å; Y59-F163 HydrophobicContact CE1-CG 4.46Å; Y59-F163 AromaticContact CG-CD1 3.78Å; Y59-F163 HydrophobicContact CG-CD1 3.78Å; Y59-F163 HydrophobicContact CG-CE1 4.24Å; A159-F163 HydrophobicContact CB-CD2 4.41Å; A159-F163 WeakPolarHBondContact O-CD2 3.43Å; A159-F163 PolarHBondContact O-N 3.44Å; F163-T166 WeakPolarHBondContact CB-OG1 3.4Å; F163-T166 WeakPolarHBondContact O-CB 3.15Å; F163-T166 PolarHBondContact O-N 2.97Å; F163-T166 PolarHBondContact O-OG1 2.87Å; F163-A168 HydrophobicContact CB-CB 3.63Å; F163-A168 HydrophobicContact CD2-CB 3.94Å; F163-A168 HydrophobicContact CG-CB 3.86Å; F163-D169 WeakPolarHBondContact O-CB 3.44Å; F163-K196 HydrophobicContact CD2-CB 3.95Å; F163-K196 HydrophobicContact CE2-CB 3.58Å; F163-K196 HydrophobicContact CZ-CB 3.93Å; F163-L200 HydrophobicContact CE2-CD2 4.16Å; F163-L200 HydrophobicContact CZ-CD2 4.46Å
164	T	97.3	Very high	98	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.043	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	143.9	-178.1	-163.8	0	0	0	0	111.3	H55 H160 T166	H55-T164 VanDerWaalsContact CD2-CG2 3.43Å; H55-T164 WeakPolarHBondContact CD2-CG2 3.29Å; H160-T164 WeakPolarHBondContact O-CA 3.48Å; H160-T164 WeakPolarHBondContact O-CB 3.35Å; H160-T164 PolarHBondContact O-N 2.82Å; T164-T166 PolarHBondContact O-N 2.87Å; T164-T166 VanDerWaalsContact O-N 3.17Å
165	E	97.2	Very high	97.9	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.093	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	22.8	-179.9	-78	65.1	-129	0	0	115.4	S173 R174 H269 D281	E165-S173 PolarHBondContact OE1-OG 3.39Å; E165-R174 HydrophobicContact CB-CG 4.22Å; E165-R174 HydrophobicContact CG-CG 4.2Å; E165-R174 WeakPolarHBondContact O-CD 3.48Å; E165-R174 PolarHBondContact O-NH1 3.44Å; E165-H269 IonicContact OE1-CE1 2.73Å; E165-H269 PolarHBondContact OE1-CE1 3.19Å; E165-H269 IonicContact OE1-CG 3.87Å; E165-H269 IonicContact OE1-ND1 2.87Å; E165-H269 PolarHBondContact OE1-ND1 3.47Å; E165-D281 HydrophobicContact CG-CB 3.89Å; E165-D281 VanDerWaalsContact CG-OD2 3.3Å; E165-D281 WeakPolarHBondContact CG-OD2 3.49Å
166	T	97.6	Very high	97.9	Very high	10 Å²	10	20.7 Å²	20.7	6%	0.061	10%	0.096	C	C	.	.	S	Bend	trans	-122.5	174.3	173.9	75.7	0	0	0	0	112.2	Y59 D61 F163 T164 A168 D169 N172	Y59-T166 HydrophobicContact CD1-CG2 4.01Å; Y59-T166 HydrophobicContact CE1-CG2 4.17Å; Y59-T166 WeakPolarHBondContact CE1-OG1 3.22Å; D61-T166 WeakPolarHBondContact OD1-CB 3.46Å; D61-T166 WeakPolarHBondContact OD2-CA 3.44Å; F163-T166 WeakPolarHBondContact CB-OG1 3.4Å; F163-T166 WeakPolarHBondContact O-CB 3.15Å; F163-T166 PolarHBondContact O-N 2.97Å; F163-T166 PolarHBondContact O-OG1 2.87Å; T164-T166 PolarHBondContact O-N 2.87Å; T164-T166 VanDerWaalsContact O-N 3.17Å; T166-A168 PolarHBondContact O-N 3.11Å; T166-A168 PolarHBondContact OG1-N 3.42Å; T166-A168 VanDerWaalsContact OG1-N 3.1Å; T166-D169 WeakPolarHBondContact O-CB 3.3Å; T166-D169 PolarHBondContact O-N 3.4Å; T166-D169 VanDerWaalsContact O-N 3.13Å; T166-N172 WeakPolarHBondContact O-CB 3.49Å; T166-N172 VanDerWaalsContact O-CG 3.26Å; T166-N172 PolarHBondContact O-ND2 3.44Å
167	H	97.6	Very high	97.9	Very high	31 Å²	31	24 Å²	24	14%	0.144	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.8	170.2	-67.4	154.9	0	0	0	114.3	D61 R175 H190 A192 V193	D61-H167 WeakPolarHBondContact OD1-CA 3.43Å; D61-H167 WeakPolarHBondContact OD1-CB 3.33Å; D61-H167 IonicContact OD1-CG 2.68Å; D61-H167 VanDerWaalsContact OD1-CG 3.29Å; D61-H167 PolarHBondContact OD1-N 3.13Å; D61-H167 IonicContact OD1-ND1 2.75Å; D61-H167 PolarHBondContact OD1-ND1 2.91Å; D61-H167 IonicContact OD2-CD2 3.86Å; D61-H167 IonicContact OD2-CG 3.29Å; D61-H167 PolarHBondContact OD2-N 3.23Å; D61-H167 IonicContact OD2-ND1 3.65Å; H167-R175 PolarHBondContact CD2-NH2 3.01Å; H167-R175 PolarHBondContact NE2-NH2 2.91Å; H167-H190 AromaticContact CG-CE1 3.97Å; H167-H190 AromaticContact CG-NE2 3.95Å; H167-H190 AromaticContact ND1-CE1 3.99Å; H167-H190 AromaticContact ND1-NE2 3.86Å; H167-A192 HydrophobicContact CB-CB 4.18Å; H167-V193 VanDerWaalsContact O-CG2 3.29Å; H167-V193 WeakPolarHBondContact O-CG2 3.16Å
168	A	97.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.3	172.1	0	0	0	0	0	113.1	Y59 F163 T166 P170 A192 K196	Y59-A168 HydrophobicContact CE1-CB 3.66Å; F163-A168 HydrophobicContact CB-CB 3.63Å; F163-A168 HydrophobicContact CD2-CB 3.94Å; F163-A168 HydrophobicContact CG-CB 3.86Å; T166-A168 PolarHBondContact O-N 3.11Å; T166-A168 PolarHBondContact OG1-N 3.42Å; T166-A168 VanDerWaalsContact OG1-N 3.1Å; A168-P170 WeakPolarHBondContact O-CD 3.41Å; A168-A192 HydrophobicContact CB-CB 4.13Å; A168-K196 HydrophobicContact CB-CB 3.89Å; A168-K196 HydrophobicContact CB-CG 3.84Å
169	D	98.2	Very high	97.9	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-75.7	118.6	168	176.6	2.8	0	0	0	110.3	H160 F163 T166 H171 N172	H160-D169 IonicContact CE1-OD2 2.64Å; H160-D169 IonicContact CG-OD1 3.89Å; H160-D169 VanDerWaalsContact ND1-CG 3.28Å; H160-D169 IonicContact ND1-OD1 3.26Å; H160-D169 PolarHBondContact ND1-OD1 3.25Å; H160-D169 IonicContact ND1-OD2 3.83Å; H160-D169 PolarHBondContact ND1-OD2 2.96Å; F163-D169 WeakPolarHBondContact O-CB 3.44Å; T166-D169 WeakPolarHBondContact O-CB 3.3Å; T166-D169 PolarHBondContact O-N 3.4Å; T166-D169 VanDerWaalsContact O-N 3.13Å; D169-H171 PolarHBondContact O-N 3.29Å; D169-H171 VanDerWaalsContact O-N 3.16Å; D169-H171 IonicContact OD1-CD2 3.8Å; D169-H171 IonicContact OD1-CG 3.46Å; D169-H171 PolarHBondContact OD1-N 3.2Å; D169-N172 HydrophobicContact CB-CB 4.16Å; D169-N172 PolarHBondContact O-N 3.21Å; D169-N172 VanDerWaalsContact OD2-CA 3.29Å; D169-N172 WeakPolarHBondContact OD2-CA 3.5Å; D169-N172 PolarHBondContact OD2-N 2.94Å
170	P	97.7	Very high	97.9	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.032	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.7	179.1	-23	31.6	0	0	0	114.8	D156 A168 W184 V193	D156-P170 HydrophobicContact CB-CB 4.5Å; D156-P170 HydrophobicContact CB-CG 3.94Å; D156-P170 WeakPolarHBondContact O-CG 3.25Å; A168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-W184 HydrophobicContact CB-CE3 4.32Å; P170-W184 HydrophobicContact CB-CZ3 4.28Å; P170-W184 VanDerWaalsContact O-CB 3.31Å; P170-W184 WeakPolarHBondContact O-CB 3.44Å; P170-V193 HydrophobicContact CB-CG1 4.32Å; P170-V193 HydrophobicContact CG-CG1 3.84Å
171	H	97.6	Very high	97.9	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.046	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	36.6	-177	37.1	-95.1	0	0	0	112.3	H160 D169 S173 S180 W184 N265	H160-H171 AromaticContact CD2-NE2 3.54Å; H160-H171 AromaticContact CE1-CD2 3.56Å; H160-H171 AromaticContact CE1-NE2 3.43Å; H160-H171 PolarHBondContact CE1-NE2 3.48Å; H160-H171 AromaticContact CG-CD2 3.91Å; H160-H171 AromaticContact CG-CE1 3.87Å; H160-H171 AromaticContact CG-NE2 3.16Å; H160-H171 AromaticContact ND1-CD2 3.35Å; H160-H171 PolarHBondContact ND1-CD2 3.01Å; H160-H171 VanDerWaalsContact ND1-CD2 3.35Å; H160-H171 AromaticContact ND1-NE2 3.11Å; H160-H171 PolarHBondContact ND1-NE2 3.33Å; H160-H171 VanDerWaalsContact ND1-NE2 3.11Å; H160-H171 AromaticContact NE2-NE2 3.7Å; D169-H171 PolarHBondContact O-N 3.29Å; D169-H171 VanDerWaalsContact O-N 3.16Å; D169-H171 IonicContact OD1-CD2 3.8Å; D169-H171 IonicContact OD1-CG 3.46Å; D169-H171 PolarHBondContact OD1-N 3.2Å; H171-S173 PolarHBondContact O-N 3.25Å; H171-S180 WeakPolarHBondContact O-CA 3.48Å; H171-S180 WeakPolarHBondContact O-CB 3.29Å; H171-W184 HydrophobicContact CB-CD2 4.12Å; H171-W184 HydrophobicContact CB-CG 3.91Å; H171-N265 HydrophobicContact CB-CB 4.39Å; H171-N265 VanDerWaalsContact CD2-CG 3.48Å; H171-N265 PolarHBondContact CD2-ND2 3.46Å; H171-N265 PolarHBondContact ND1-ND2 3.11Å
172	N	97.9	Very high	97.9	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	15%	0.15	C	C	.	.			trans	-35.4	107.7	178.1	-176.7	-9.2	0	0	0	114.2	T166 D169 R174 R175 F179	T166-N172 WeakPolarHBondContact O-CB 3.49Å; T166-N172 VanDerWaalsContact O-CG 3.26Å; T166-N172 PolarHBondContact O-ND2 3.44Å; D169-N172 HydrophobicContact CB-CB 4.16Å; D169-N172 PolarHBondContact O-N 3.21Å; D169-N172 VanDerWaalsContact OD2-CA 3.29Å; D169-N172 WeakPolarHBondContact OD2-CA 3.5Å; D169-N172 PolarHBondContact OD2-N 2.94Å; N172-R174 PolarHBondContact O-N 2.94Å; N172-R174 WeakPolarHBondContact OD1-CB 3.46Å; N172-R174 PolarHBondContact OD1-N 3.45Å; N172-R175 WeakPolarHBondContact O-CB 3.34Å; N172-R175 PolarHBondContact O-N 3.25Å; N172-R175 VanDerWaalsContact O-N 3.14Å; N172-F179 HydrophobicContact CB-CE1 4.39Å
173	S	97.7	Very high	97.9	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.021	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26.2	-179.2	65.8	0	0	0	0	113.6	E165 H171 R175 G176	E165-S173 PolarHBondContact OE1-OG 3.39Å; H171-S173 PolarHBondContact O-N 3.25Å; S173-R175 PolarHBondContact O-N 2.87Å; S173-R175 VanDerWaalsContact O-N 3.16Å; S173-G176 PolarHBondContact O-N 2.92Å
174	R	97	Very high	97.9	Very high	172 Å²	172	32.4 Å²	32.4	65%	0.649	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-65.6	-17	176.8	-60.1	174.3	67.3	-174.8	0.1	113.3	D61 E165 N172 G176	D61-R174 IonicContact OD2-NH1 3.05Å; E165-R174 HydrophobicContact CB-CG 4.22Å; E165-R174 HydrophobicContact CG-CG 4.2Å; E165-R174 WeakPolarHBondContact O-CD 3.48Å; E165-R174 PolarHBondContact O-NH1 3.44Å; N172-R174 PolarHBondContact O-N 2.94Å; N172-R174 WeakPolarHBondContact OD1-CB 3.46Å; N172-R174 PolarHBondContact OD1-N 3.45Å; R174-G176 PolarHBondContact O-N 2.88Å
175	R	97	Very high	98	Very high	70 Å²	70	33.2 Å²	33.2	26%	0.264	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-82.7	5.8	172.5	-65.2	178.1	171.2	-119.4	-4.5	112.9	H167 N172 S173 F179	H167-R175 PolarHBondContact CD2-NH2 3.01Å; H167-R175 PolarHBondContact NE2-NH2 2.91Å; N172-R175 WeakPolarHBondContact O-CB 3.34Å; N172-R175 PolarHBondContact O-N 3.25Å; N172-R175 VanDerWaalsContact O-N 3.14Å; S173-R175 PolarHBondContact O-N 2.87Å; S173-R175 VanDerWaalsContact O-N 3.16Å; R175-F179 HydrophobicContact CB-CB 3.65Å; R175-F179 HydrophobicContact CB-CD1 3.58Å; R175-F179 HydrophobicContact CB-CD2 4.27Å; R175-F179 HydrophobicContact CB-CE1 4.31Å; R175-F179 HydrophobicContact CB-CG 3.56Å; R175-F179 HydrophobicContact CG-CD1 4.22Å; R175-F179 HydrophobicContact CG-CE1 4.49Å; R175-F179 HydrophobicContact CG-CG 4.42Å
176	G	98.1	Very high	98	Very high	30 Å²	30	33.3 Å²	33.3	31%	0.309	15%	0.154	S	C	.	.			trans	88.3	165.7	174.2	0	0	0	0	0	113.6	S173 R174 F178 F179 S180	S173-G176 PolarHBondContact O-N 2.92Å; R174-G176 PolarHBondContact O-N 2.88Å; G176-F178 VanDerWaalsContact C-N 3.31Å; G176-F178 PolarHBondContact O-N 2.9Å; G176-F179 PolarHBondContact O-N 3.1Å; G176-F179 VanDerWaalsContact O-N 3.09Å; G176-S180 PolarHBondContact O-N 3.29Å; G176-S180 PolarHBondContact O-OG 3.46Å
177	F	98.6	Very high	98.1	Very high	79 Å²	79	33.7 Å²	33.7	35%	0.346	16%	0.156	S	C	.	.	H	α-helix	trans	-51	-45.9	-172.7	-175.7	-83.6	0	0	0	113.3	F179 S180 H181 L263 S266 A267 L270 Y271	F177-F179 PolarHBondContact O-N 3.25Å; F177-S180 PolarHBondContact O-OG 3.33Å; F177-H181 HydrophobicContact CD1-CB 4.3Å; F177-H181 HydrophobicContact CE1-CB 4.08Å; F177-H181 WeakPolarHBondContact O-CB 3.45Å; F177-H181 PolarHBondContact O-N 3.36Å; F177-L263 HydrophobicContact CZ-CD2 4.33Å; F177-S266 VanDerWaalsContact CE2-OG 3.25Å; F177-S266 WeakPolarHBondContact CE2-OG 3.33Å; F177-S266 WeakPolarHBondContact CZ-OG 3.3Å; F177-A267 HydrophobicContact CE2-CB 4.37Å; F177-L270 HydrophobicContact CB-CD1 3.83Å; F177-L270 HydrophobicContact CD2-CD1 3.9Å; F177-L270 HydrophobicContact CG-CD1 4.37Å; F177-Y271 AromaticContact CD2-CE2 3.96Å; F177-Y271 HydrophobicContact CD2-CE2 3.96Å; F177-Y271 HydrophobicContact CE2-CE2 4.13Å
178	F	98.6	Very high	98.1	Very high	137 Å²	137	38.6 Å²	38.6	60%	0.601	17%	0.173	S	C	*	.	H	α-helix	trans	-63.8	-41.3	-177	-178.5	-100.3	0	0	0	112.2	G176 V182 G183 L186	G176-F178 VanDerWaalsContact C-N 3.31Å; G176-F178 PolarHBondContact O-N 2.9Å; F178-V182 HydrophobicContact CD2-CG1 4.17Å; F178-V182 HydrophobicContact CE2-CG1 3.73Å; F178-V182 HydrophobicContact CZ-CG1 4.1Å; F178-V182 PolarHBondContact O-N 2.87Å; F178-V182 VanDerWaalsContact O-N 3.1Å; F178-G183 PolarHBondContact O-N 3.43Å; F178-L186 HydrophobicContact CZ-CD1 4.32Å
179	F	98.6	Very high	98	Very high	27 Å²	27	41.2 Å²	41.2	12%	0.118	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-50.2	-180	-177.1	-89.9	0	0	0	111	L69 N172 R175 G176 F177 H181 G183 W184 V187	L69-F179 HydrophobicContact CD1-CD2 4.49Å; L69-F179 HydrophobicContact CD2-CE2 4.19Å; N172-F179 HydrophobicContact CB-CE1 4.39Å; R175-F179 HydrophobicContact CB-CB 3.65Å; R175-F179 HydrophobicContact CB-CD1 3.58Å; R175-F179 HydrophobicContact CB-CD2 4.27Å; R175-F179 HydrophobicContact CB-CE1 4.31Å; R175-F179 HydrophobicContact CB-CG 3.56Å; R175-F179 HydrophobicContact CG-CD1 4.22Å; R175-F179 HydrophobicContact CG-CE1 4.49Å; R175-F179 HydrophobicContact CG-CG 4.42Å; G176-F179 PolarHBondContact O-N 3.1Å; G176-F179 VanDerWaalsContact O-N 3.09Å; F177-F179 PolarHBondContact O-N 3.25Å; F179-H181 VanDerWaalsContact C-N 3.33Å; F179-H181 PolarHBondContact O-N 2.69Å; F179-G183 PolarHBondContact O-N 3.11Å; F179-W184 HydrophobicContact CD1-CB 4.24Å; F179-W184 HydrophobicContact CE1-CB 3.79Å; F179-W184 HydrophobicContact CE2-CB 4.18Å; F179-W184 HydrophobicContact CZ-CB 3.76Å; F179-W184 WeakPolarHBondContact O-CB 3.44Å; F179-W184 VanDerWaalsContact O-CD1 3.24Å; F179-W184 PolarHBondContact O-N 3.5Å; F179-V187 HydrophobicContact CE2-CG2 4Å
180	S	98.4	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-27.9	-178.3	57.9	0	0	0	0	113.4	H171 G176 F177 N265 S266	H171-S180 WeakPolarHBondContact O-CA 3.48Å; H171-S180 WeakPolarHBondContact O-CB 3.29Å; G176-S180 PolarHBondContact O-N 3.29Å; G176-S180 PolarHBondContact O-OG 3.46Å; F177-S180 PolarHBondContact O-OG 3.33Å; S180-N265 WeakPolarHBondContact CB-O 3.36Å; S180-N265 WeakPolarHBondContact O-CB 3.33Å; S180-S266 WeakPolarHBondContact OG-CA 3.25Å; S180-S266 WeakPolarHBondContact OG-CB 3.32Å
181	H	98.7	Very high	97.9	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-73.4	-59.4	176.3	-164.5	73.4	0	0	0	112	F177 F179 N259 W262 S266	F177-H181 HydrophobicContact CD1-CB 4.3Å; F177-H181 HydrophobicContact CE1-CB 4.08Å; F177-H181 WeakPolarHBondContact O-CB 3.45Å; F177-H181 PolarHBondContact O-N 3.36Å; F179-H181 VanDerWaalsContact C-N 3.33Å; F179-H181 PolarHBondContact O-N 2.69Å; H181-N259 PolarHBondContact NE2-OD1 3.46Å; H181-N259 VanDerWaalsContact NE2-OD1 3.17Å; H181-W262 AromaticContact CD2-CE3 3.89Å; H181-W262 VanDerWaalsContact CE1-CB 3.5Å; H181-W262 WeakPolarHBondContact CE1-CB 3.43Å; H181-W262 WeakPolarHBondContact ND1-CB 3.33Å; H181-W262 PolarHBondContact ND1-O 3.16Å; H181-W262 AromaticContact NE2-CE3 3.76Å; H181-W262 VanDerWaalsContact O-CB 3.23Å; H181-W262 WeakPolarHBondContact O-CB 3.46Å; H181-S266 PolarHBondContact ND1-OG 3.13Å
182	V	98.6	Very high	97.9	Very high	15 Å²	15	46.4 Å²	46.4	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141	-26.5	-173.4	68.7	0	0	0	0	113.7	M79 F178 W184 L185 W262	M79-V182 HydrophobicContact CE-CG2 3.89Å; M79-V182 HydrophobicContact CG-CG2 4.11Å; M79-V182 HydrophobicContact SD-CG2 4.5Å; F178-V182 HydrophobicContact CD2-CG1 4.17Å; F178-V182 HydrophobicContact CE2-CG1 3.73Å; F178-V182 HydrophobicContact CZ-CG1 4.1Å; F178-V182 PolarHBondContact O-N 2.87Å; F178-V182 VanDerWaalsContact O-N 3.1Å; V182-W184 PolarHBondContact O-N 3.38Å; V182-L185 WeakPolarHBondContact O-CB 3.39Å; V182-L185 PolarHBondContact O-N 3.35Å; V182-W262 HydrophobicContact CB-CE3 4Å; V182-W262 HydrophobicContact CB-CH2 4.42Å; V182-W262 HydrophobicContact CB-CZ3 3.95Å; V182-W262 HydrophobicContact CG2-CE3 4.12Å; V182-W262 HydrophobicContact CG2-CH2 3.65Å; V182-W262 HydrophobicContact CG2-CZ2 4.19Å; V182-W262 HydrophobicContact CG2-CZ3 3.59Å
183	G	98.5	Very high	97.8	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.5	-173.3	0	0	0	0	0	113.5	F178 F179 L185 L186	F178-G183 PolarHBondContact O-N 3.43Å; F179-G183 PolarHBondContact O-N 3.11Å; G183-L185 PolarHBondContact O-N 3.42Å; G183-L186 WeakPolarHBondContact O-CB 3.36Å; G183-L186 PolarHBondContact O-N 3.04Å
184	W	98.4	Very high	97.7	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.114	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.8	176.5	76.3	-86.8	0	0	0	113.8	P170 H171 F179 V182 L186	P170-W184 HydrophobicContact CB-CE3 4.32Å; P170-W184 HydrophobicContact CB-CZ3 4.28Å; P170-W184 VanDerWaalsContact O-CB 3.31Å; P170-W184 WeakPolarHBondContact O-CB 3.44Å; H171-W184 HydrophobicContact CB-CD2 4.12Å; H171-W184 HydrophobicContact CB-CG 3.91Å; F179-W184 HydrophobicContact CD1-CB 4.24Å; F179-W184 HydrophobicContact CE1-CB 3.79Å; F179-W184 HydrophobicContact CE2-CB 4.18Å; F179-W184 HydrophobicContact CZ-CB 3.76Å; F179-W184 WeakPolarHBondContact O-CB 3.44Å; F179-W184 VanDerWaalsContact O-CD1 3.24Å; F179-W184 PolarHBondContact O-N 3.5Å; V182-W184 PolarHBondContact O-N 3.38Å; W184-L186 VanDerWaalsContact C-N 3.27Å; W184-L186 PolarHBondContact O-N 2.99Å
185	L	97.7	Very high	97.6	Very high	25 Å²	25	50.1 Å²	50.1	13%	0.131	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-77.1	-15.2	175.5	-66	171.7	0	0	0	113	N75 M79 V182 G183 W262	N75-L185 PolarHBondContact ND2-O 3.14Å; M79-L185 HydrophobicContact CE-CD1 4.09Å; V182-L185 WeakPolarHBondContact O-CB 3.39Å; V182-L185 PolarHBondContact O-N 3.35Å; G183-L185 PolarHBondContact O-N 3.42Å; L185-W262 HydrophobicContact CD1-CZ2 3.53Å
186	L	98.5	Very high	97.6	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.115	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-100	-4.4	-173.1	-53.1	-173.7	0	0	0	112.7	M1 V72 N75 I76 M79 F178 G183 W184	M1-L186 HydrophobicContact CE-CD2 4.42Å; V72-L186 PolarHBondContact N-O 2.92Å; N75-L186 HydrophobicContact CB-CD2 4.31Å; I76-L186 HydrophobicContact CG1-CB 3.83Å; I76-L186 HydrophobicContact CG1-CD1 4.33Å; I76-L186 HydrophobicContact CG1-CD2 4.34Å; I76-L186 HydrophobicContact CG1-CG 4.37Å; M79-L186 HydrophobicContact CB-CD2 3.99Å; M79-L186 HydrophobicContact CG-CD2 4.32Å; F178-L186 HydrophobicContact CZ-CD1 4.32Å; G183-L186 WeakPolarHBondContact O-CB 3.36Å; G183-L186 PolarHBondContact O-N 3.04Å; W184-L186 VanDerWaalsContact C-N 3.27Å; W184-L186 PolarHBondContact O-N 2.99Å
187	V	98.5	Very high	97.3	Very high	17 Å²	17	47.1 Å²	47.1	10%	0.103	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-131	165.8	-176.1	-54.9	0	0	0	0	110.8	L69 E70 Y71 F179	L69-V187 HydrophobicContact CB-CG1 4.23Å; L69-V187 HydrophobicContact CD1-CG1 4.39Å; L69-V187 HydrophobicContact CD2-CG2 4.11Å; E70-V187 CarbonylContact O-C 3.44Å; E70-V187 WeakPolarHBondContact O-CA 3.25Å; E70-V187 WeakPolarHBondContact O-CB 3.31Å; Y71-V187 HydrophobicContact CD1-CG1 3.7Å; Y71-V187 HydrophobicContact CE1-CG1 4.15Å; F179-V187 HydrophobicContact CE2-CG2 4Å
188	R	97.6	Very high	97.2	Very high	135 Å²	135	46.4 Å²	46.4	51%	0.509	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-68.8	136.8	170	-61.8	-60.2	-172.9	173.4	2.3	109.6	E70 V72	E70-R188 HydrophobicContact CB-CB 4.13Å; E70-R188 HydrophobicContact CB-CG 3.86Å; E70-R188 PolarHBondContact O-N 3.41Å; V72-R188 HydrophobicContact CG2-CG 4.12Å
189	K	97.2	Very high	97	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.235	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.2	141.8	172.1	-69.7	177.2	173.1	176.4	0	110.1	D156 V193	D156-K189 IonicContact OD1-NZ 2.63Å; D156-K189 PolarHBondContact OD1-NZ 3.23Å; D156-K189 IonicContact OD2-NZ 2.77Å; D156-K189 PolarHBondContact OD2-NZ 3.33Å; K189-V193 HydrophobicContact CB-CB 4.24Å; K189-V193 HydrophobicContact CB-CG1 4.45Å; K189-V193 HydrophobicContact CB-CG2 4.47Å; K189-V193 HydrophobicContact CD-CG1 3.97Å
190	H	97	Very high	97	Very high	39 Å²	39	45.8 Å²	45.8	18%	0.181	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-57.9	144.5	173.4	-171	-87.6	0	0	0	110.7	P67 H167 A192 V193	P67-H190 VanDerWaalsContact CD-NE2 3.31Å; P67-H190 WeakPolarHBondContact CD-NE2 3.31Å; H167-H190 AromaticContact CG-CE1 3.97Å; H167-H190 AromaticContact CG-NE2 3.95Å; H167-H190 AromaticContact ND1-CE1 3.99Å; H167-H190 AromaticContact ND1-NE2 3.86Å; H190-A192 VanDerWaalsContact ND1-CB 3.32Å; H190-A192 WeakPolarHBondContact ND1-CB 3.47Å; H190-A192 PolarHBondContact ND1-N 3.33Å; H190-A192 VanDerWaalsContact ND1-N 3.13Å; H190-A192 PolarHBondContact O-N 3.07Å; H190-V193 HydrophobicContact CB-CG2 4.26Å; H190-V193 WeakPolarHBondContact O-CB 3.36Å; H190-V193 PolarHBondContact O-N 3.22Å
191	P	95.9	Very high	97	Very high	81 Å²	81	49.6 Å²	49.6	53%	0.526	25%	0.254	S	S	.	.	H	α-helix	trans	-51.1	-40.4	179.2	-30.5	36.6	0	0	0	114.1	V193 K194 E195	P191-V193 VanDerWaalsContact C-N 3.27Å; P191-V193 PolarHBondContact O-N 3.42Å; P191-K194 WeakPolarHBondContact O-CB 3.49Å; P191-K194 PolarHBondContact O-N 2.55Å; P191-E195 PolarHBondContact O-N 3.16Å
192	A	96.8	Very high	96.9	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-35.4	177	0	0	0	0	0	113.6	H167 A168 H190 K194 E195 K196	H167-A192 HydrophobicContact CB-CB 4.18Å; A168-A192 HydrophobicContact CB-CB 4.13Å; H190-A192 VanDerWaalsContact ND1-CB 3.32Å; H190-A192 WeakPolarHBondContact ND1-CB 3.47Å; H190-A192 PolarHBondContact ND1-N 3.33Å; H190-A192 VanDerWaalsContact ND1-N 3.13Å; H190-A192 PolarHBondContact O-N 3.07Å; A192-K194 VanDerWaalsContact C-N 3.31Å; A192-K194 PolarHBondContact O-N 3.29Å; A192-E195 PolarHBondContact O-N 2.91Å; A192-K196 VanDerWaalsContact O-CB 3.25Å; A192-K196 WeakPolarHBondContact O-CB 3.43Å; A192-K196 WeakPolarHBondContact O-CG 3.36Å; A192-K196 PolarHBondContact O-N 3.26Å
193	V	97	Very high	96.9	Very high	8 Å²	8	51 Å²	51	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-41.9	175.5	-177.6	0	0	0	0	110.8	H167 P170 K189 H190 P191 G197	H167-V193 VanDerWaalsContact O-CG2 3.29Å; H167-V193 WeakPolarHBondContact O-CG2 3.16Å; P170-V193 HydrophobicContact CB-CG1 4.32Å; P170-V193 HydrophobicContact CG-CG1 3.84Å; K189-V193 HydrophobicContact CB-CB 4.24Å; K189-V193 HydrophobicContact CB-CG1 4.45Å; K189-V193 HydrophobicContact CB-CG2 4.47Å; K189-V193 HydrophobicContact CD-CG1 3.97Å; H190-V193 HydrophobicContact CB-CG2 4.26Å; H190-V193 WeakPolarHBondContact O-CB 3.36Å; H190-V193 PolarHBondContact O-N 3.22Å; P191-V193 VanDerWaalsContact C-N 3.27Å; P191-V193 PolarHBondContact O-N 3.42Å; V193-G197 VanDerWaalsContact O-CA 3.3Å; V193-G197 WeakPolarHBondContact O-CA 3.34Å; V193-G197 PolarHBondContact O-N 3.39Å
194	K	94.9	Very high	96.9	Very high	148 Å²	148	52.8 Å²	52.8	64%	0.643	27%	0.274	S	S	*	.	H	α-helix	trans	-70.9	-44.8	179.6	-64.7	-178.8	-179.2	176.6	0	111.3	P191 A192 G198	P191-K194 WeakPolarHBondContact O-CB 3.49Å; P191-K194 PolarHBondContact O-N 2.55Å; A192-K194 VanDerWaalsContact C-N 3.31Å; A192-K194 PolarHBondContact O-N 3.29Å; K194-G198 WeakPolarHBondContact O-CA 3.48Å; K194-G198 PolarHBondContact O-N 3.14Å
195	E	95.7	Very high	96.9	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-67.4	-52.9	-177.2	-169.4	-143.5	136.7	0	0	111.7	P191 A192 G198 K199	P191-E195 PolarHBondContact O-N 3.16Å; A192-E195 PolarHBondContact O-N 2.91Å; E195-G198 PolarHBondContact O-N 3.16Å; E195-K199 WeakPolarHBondContact O-CG 3.08Å; E195-K199 IonicContact OE1-NZ 2.72Å; E195-K199 PolarHBondContact OE1-NZ 2.97Å
196	K	95.9	Very high	97	Very high	33 Å²	33	56.1 Å²	56.1	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-73	-41.9	-178.5	-60.7	-68.7	-66.5	-165.7	0	111.4	Y59 F163 A168 A192 G198 K199	Y59-K196 HydrophobicContact CD2-CD 4.16Å; Y59-K196 VanDerWaalsContact CD2-CE 3.5Å; Y59-K196 HydrophobicContact CE2-CD 3.66Å; Y59-K196 HydrophobicContact CE2-CG 4.1Å; F163-K196 HydrophobicContact CD2-CB 3.95Å; F163-K196 HydrophobicContact CE2-CB 3.58Å; F163-K196 HydrophobicContact CZ-CB 3.93Å; A168-K196 HydrophobicContact CB-CB 3.89Å; A168-K196 HydrophobicContact CB-CG 3.84Å; A192-K196 VanDerWaalsContact O-CB 3.25Å; A192-K196 WeakPolarHBondContact O-CB 3.43Å; A192-K196 WeakPolarHBondContact O-CG 3.36Å; A192-K196 PolarHBondContact O-N 3.26Å; K196-G198 PolarHBondContact O-N 3.37Å; K196-K199 WeakPolarHBondContact O-CB 3.36Å; K196-K199 PolarHBondContact O-N 3.01Å; K196-K199 VanDerWaalsContact O-N 3.11Å
197	G	93.4	Very high	97	Very high	5 Å²	5	59 Å²	59	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-26.6	174.7	0	0	0	0	0	113.6	V193 K199	V193-G197 VanDerWaalsContact O-CA 3.3Å; V193-G197 WeakPolarHBondContact O-CA 3.34Å; V193-G197 PolarHBondContact O-N 3.39Å; G197-K199 VanDerWaalsContact C-N 3.28Å; G197-K199 PolarHBondContact O-N 3.34Å
198	G	94.7	Very high	97	Very high	63 Å²	63	59 Å²	59	65%	0.649	31%	0.314	S	S	*	.	H	α-helix	trans	-71.7	-19.5	173.5	0	0	0	0	0	114.2	K194 E195 K196	K194-G198 WeakPolarHBondContact O-CA 3.48Å; K194-G198 PolarHBondContact O-N 3.14Å; E195-G198 PolarHBondContact O-N 3.16Å; K196-G198 PolarHBondContact O-N 3.37Å
199	K	96	Very high	97	Very high	140 Å²	140	61.5 Å²	61.5	61%	0.609	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.5	178.2	-67.1	168.7	178.8	171.4	0	113.3	E195 K196 G197	E195-K199 WeakPolarHBondContact O-CG 3.08Å; E195-K199 IonicContact OE1-NZ 2.72Å; E195-K199 PolarHBondContact OE1-NZ 2.97Å; K196-K199 WeakPolarHBondContact O-CB 3.36Å; K196-K199 PolarHBondContact O-N 3.01Å; K196-K199 VanDerWaalsContact O-N 3.11Å; G197-K199 VanDerWaalsContact C-N 3.28Å; G197-K199 PolarHBondContact O-N 3.34Å
200	L	97.1	Very high	97.1	Very high	11 Å²	11	60.4 Å²	60.4	6%	0.058	33%	0.325	C	S	.	.	S	Bend	trans	-72.6	136.9	177.9	-59.6	175.3	0	0	0	110.6	E52 R158 A159 K162 F163 M202	E52-L200 HydrophobicContact CB-CD2 4.33Å; E52-L200 WeakPolarHBondContact OE2-CD2 3.3Å; R158-L200 HydrophobicContact CB-CD1 3.81Å; A159-L200 HydrophobicContact CB-CD1 3.82Å; K162-L200 HydrophobicContact CD-CD2 3.79Å; F163-L200 HydrophobicContact CE2-CD2 4.16Å; F163-L200 HydrophobicContact CZ-CD2 4.46Å; L200-M202 HydrophobicContact CB-SD 4.36Å; L200-M202 PolarHBondContact O-N 2.92Å
201	D	98.2	Very high	97.2	Very high	81 Å²	81	58.5 Å²	58.5	43%	0.433	32%	0.317	S	S	.	.			trans	-68.8	122.3	170.4	-170	7.7	0	0	0	110.6	E52 R158 S203	E52-D201 HydrophobicContact CG-CB 3.89Å; R158-D201 PolarHBondContact NH1-O 3.43Å; D201-S203 VanDerWaalsContact CG-OG 3.28Å; D201-S203 WeakPolarHBondContact OD1-CB 3.46Å; D201-S203 PolarHBondContact OD1-N 3.46Å; D201-S203 PolarHBondContact OD1-OG 3.13Å; D201-S203 PolarHBondContact OD2-OG 2.73Å
202	M	98.4	Very high	97.3	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.03	30%	0.304	C	S	.	.			trans	-122.8	14.1	175.9	-54	-59.6	-54.6	0	0	111.4	Y151 A154 R155 R158 L200 D204 L205 K206	Y151-M202 HydrophobicContact CE2-CB 3.67Å; Y151-M202 HydrophobicContact CE2-CG 4.42Å; A154-M202 HydrophobicContact CB-CE 4.21Å; R155-M202 HydrophobicContact CB-CE 3.88Å; R155-M202 HydrophobicContact CB-SD 4.06Å; R155-M202 HydrophobicContact CG-CG 4.49Å; R155-M202 HydrophobicContact CG-SD 4.29Å; R158-M202 VanDerWaalsContact CD-SD 3.57Å; R158-M202 PolarHBondContact NH1-SD 2.89Å; L200-M202 HydrophobicContact CB-SD 4.36Å; L200-M202 PolarHBondContact O-N 2.92Å; M202-D204 VanDerWaalsContact C-N 3.25Å; M202-D204 PolarHBondContact O-N 2.87Å; M202-L205 HydrophobicContact CE-CD1 3.46Å; M202-L205 VanDerWaalsContact CE-CD1 3.46Å; M202-L205 HydrophobicContact CE-CG 4.33Å; M202-L205 PolarHBondContact O-N 3.32Å; M202-K206 WeakPolarHBondContact O-CG 3.42Å; M202-K206 PolarHBondContact O-N 3.24Å; M202-K206 VanDerWaalsContact O-N 3.09Å
203	S	98.4	Very high	97.4	Very high	59 Å²	59	62.5 Å²	62.5	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-35.6	-176.4	64.7	0	0	0	0	112.1	D201 L205 K206 A207	D201-S203 VanDerWaalsContact CG-OG 3.28Å; D201-S203 WeakPolarHBondContact OD1-CB 3.46Å; D201-S203 PolarHBondContact OD1-N 3.46Å; D201-S203 PolarHBondContact OD1-OG 3.13Å; D201-S203 PolarHBondContact OD2-OG 2.73Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.4Å; S203-K206 PolarHBondContact O-N 3.23Å; S203-A207 WeakPolarHBondContact O-CB 3.11Å; S203-A207 PolarHBondContact O-N 2.8Å
204	D	98.4	Very high	97.5	Very high	43 Å²	43	62.5 Å²	62.5	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-41.2	176.8	73.5	-57.1	0	0	0	112.3	R126 R158 M202	R126-D204 IonicContact CZ-OD2 3.7Å; R126-D204 VanDerWaalsContact CZ-OD2 3.25Å; R126-D204 IonicContact NE-OD2 3.43Å; R126-D204 PolarHBondContact NE-OD2 2.8Å; R126-D204 PolarHBondContact NH2-O 2.88Å; R126-D204 IonicContact NH2-OD2 2.62Å; R126-D204 PolarHBondContact NH2-OD2 3.01Å; R158-D204 IonicContact CZ-OD1 3.65Å; R158-D204 IonicContact CZ-OD2 2.67Å; R158-D204 IonicContact NH1-OD1 3.47Å; R158-D204 PolarHBondContact NH1-OD1 3.23Å; R158-D204 IonicContact NH1-OD2 2.71Å; R158-D204 IonicContact NH2-OD1 3.61Å; R158-D204 PolarHBondContact NH2-OD1 3.4Å; R158-D204 VanDerWaalsContact NH2-OD1 3.15Å; R158-D204 IonicContact NH2-OD2 3.63Å; R158-D204 PolarHBondContact NH2-OD2 2.79Å; M202-D204 VanDerWaalsContact C-N 3.25Å; M202-D204 PolarHBondContact O-N 2.87Å
205	L	98.6	Very high	97.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-77.7	-35.7	175.9	-62	-175.8	0	0	0	112.3	W123 Y151 A154 M202 S203 A207 E208 V211	W123-L205 HydrophobicContact CB-CD2 3.83Å; W123-L205 HydrophobicContact CG-CD2 4.14Å; Y151-L205 HydrophobicContact CD2-CB 3.97Å; Y151-L205 HydrophobicContact CD2-CD1 4.49Å; A154-L205 HydrophobicContact CB-CD1 3.46Å; A154-L205 VanDerWaalsContact CB-CD1 3.46Å; M202-L205 HydrophobicContact CE-CD1 3.46Å; M202-L205 VanDerWaalsContact CE-CD1 3.46Å; M202-L205 HydrophobicContact CE-CG 4.33Å; M202-L205 PolarHBondContact O-N 3.32Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.4Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.85Å; L205-E208 PolarHBondContact O-N 3.15Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L205-V211 HydrophobicContact CB-CG1 4.36Å
206	K	98.6	Very high	97.8	Very high	124 Å²	124	64.4 Å²	64.4	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-37.9	175.6	-68.9	175.5	-174.6	173.3	0	111.8	Y151 M202 S203 E208 M212	Y151-K206 HydrophobicContact CD2-CG 4.48Å; Y151-K206 HydrophobicContact CE2-CD 4.46Å; Y151-K206 HydrophobicContact CE2-CG 3.72Å; Y151-K206 WeakPolarHBondContact OH-CE 3.29Å; M202-K206 WeakPolarHBondContact O-CG 3.42Å; M202-K206 PolarHBondContact O-N 3.24Å; M202-K206 VanDerWaalsContact O-N 3.09Å; S203-K206 PolarHBondContact O-N 3.23Å; K206-E208 PolarHBondContact O-N 2.85Å; K206-M212 WeakPolarHBondContact O-CG 3.34Å
207	A	98.6	Very high	98	Very high	82 Å²	82	67.8 Å²	67.8	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.5	176.3	0	0	0	0	0	112.7	S203 L205 K209	S203-A207 WeakPolarHBondContact O-CB 3.11Å; S203-A207 PolarHBondContact O-N 2.8Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.85Å; A207-K209 PolarHBondContact O-N 3.43Å
208	E	98.5	Very high	98.2	Very high	17 Å²	17	68 Å²	68	8%	0.079	34%	0.336	C	S	.	.			trans	-84.6	96.8	-176	-162.5	173.6	151.9	0	0	112.1	W123 R126 R135 L205 K206 L210 V211 M212	W123-E208 VanDerWaalsContact NE1-CD 3.31Å; W123-E208 PolarHBondContact NE1-OE1 3.2Å; W123-E208 PolarHBondContact NE1-OE2 2.94Å; R126-E208 IonicContact CZ-OE2 3.19Å; R126-E208 IonicContact NH1-OE2 3.31Å; R126-E208 PolarHBondContact NH1-OE2 3.26Å; R126-E208 IonicContact NH2-OE2 2.65Å; R126-E208 PolarHBondContact NH2-OE2 2.87Å; R135-E208 IonicContact CZ-OE1 2.92Å; R135-E208 IonicContact NE-OE1 3.94Å; R135-E208 PolarHBondContact NE-OE1 3.42Å; R135-E208 IonicContact NH2-OE1 3.93Å; R135-E208 PolarHBondContact NH2-OE1 3.43Å; L205-E208 PolarHBondContact O-N 3.15Å; L205-E208 VanDerWaalsContact O-N 3.13Å; K206-E208 PolarHBondContact O-N 2.85Å; E208-L210 PolarHBondContact O-N 2.81Å; E208-V211 HydrophobicContact CB-CB 4.18Å; E208-V211 HydrophobicContact CB-CG2 3.97Å; E208-V211 HydrophobicContact CG-CB 4.46Å; E208-V211 HydrophobicContact CG-CG2 3.87Å; E208-V211 WeakPolarHBondContact O-CB 3.28Å; E208-V211 PolarHBondContact O-N 3.32Å; E208-M212 PolarHBondContact O-N 3.37Å; E208-M212 VanDerWaalsContact O-N 3.12Å
209	K	98.6	Very high	98.4	Very high	188 Å²	188	71.2 Å²	71.2	82%	0.817	33%	0.332	S	S	*	.	H	α-helix	trans	-49.2	-38.8	-176.4	-62	-175	-177.1	-177	0	114.4	A207 F213	A207-K209 PolarHBondContact O-N 3.43Å; K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.04Å
210	L	98.7	Very high	98.5	Very high	31 Å²	31	68.2 Å²	68.2	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-69	-38.5	-179.2	-171.7	65.2	0	0	0	112.5	L132 R135 I136 I139 E208 F213 Q214	L132-L210 HydrophobicContact CD1-CD2 4.49Å; R135-L210 HydrophobicContact CB-CD2 3.73Å; R135-L210 WeakPolarHBondContact O-CD2 3.21Å; I136-L210 HydrophobicContact CG1-CD1 4.38Å; I136-L210 HydrophobicContact CG1-CD2 4.12Å; I139-L210 HydrophobicContact CB-CD2 4.27Å; I139-L210 HydrophobicContact CB-CG 4.36Å; I139-L210 HydrophobicContact CG1-CG 4.4Å; I139-L210 HydrophobicContact CG2-CD1 4.08Å; I139-L210 HydrophobicContact CG2-CD2 4Å; I139-L210 HydrophobicContact CG2-CG 4.02Å; E208-L210 PolarHBondContact O-N 2.81Å; L210-F213 WeakPolarHBondContact O-CB 3.44Å; L210-F213 PolarHBondContact O-N 2.86Å; L210-Q214 PolarHBondContact O-N 3.5Å
211	V	98.8	Very high	98.5	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-45.6	176.2	175.9	0	0	0	0	109.7	W123 V150 L205 E208 F213 Q214 R215	W123-V211 HydrophobicContact CD2-CG2 4.49Å; W123-V211 HydrophobicContact CG-CG2 4.38Å; V150-V211 HydrophobicContact CB-CG1 3.98Å; V150-V211 HydrophobicContact CG1-CB 4.5Å; V150-V211 HydrophobicContact CG1-CG1 3.69Å; V150-V211 HydrophobicContact CG1-CG2 4.01Å; L205-V211 HydrophobicContact CB-CG1 4.36Å; E208-V211 HydrophobicContact CB-CB 4.18Å; E208-V211 HydrophobicContact CB-CG2 3.97Å; E208-V211 HydrophobicContact CG-CB 4.46Å; E208-V211 HydrophobicContact CG-CG2 3.87Å; E208-V211 WeakPolarHBondContact O-CB 3.28Å; E208-V211 PolarHBondContact O-N 3.32Å; V211-F213 VanDerWaalsContact C-N 3.31Å; V211-F213 PolarHBondContact O-N 3.22Å; V211-Q214 PolarHBondContact O-N 3.01Å; V211-R215 PolarHBondContact O-N 2.9Å
212	M	98.8	Very high	98.5	Very high	52 Å²	52	65.3 Å²	65.3	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-32.2	176.4	-65.4	-61.1	97.9	0	0	112.8	Y151 K206 E208 R215 R216	Y151-M212 HydrophobicContact CD2-CE 3.63Å; Y151-M212 HydrophobicContact CG-CE 3.97Å; K206-M212 WeakPolarHBondContact O-CG 3.34Å; E208-M212 PolarHBondContact O-N 3.37Å; E208-M212 VanDerWaalsContact O-N 3.12Å; M212-R215 PolarHBondContact O-N 3.39Å; M212-R216 WeakPolarHBondContact O-CB 3.37Å; M212-R216 PolarHBondContact O-N 2.95Å
213	F	98.8	Very high	98.5	Very high	121 Å²	121	69.8 Å²	69.8	53%	0.531	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-49.3	171.5	176.8	-89.8	0	0	0	111.3	K209 L210 V211 R215 R216 Y217	K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.04Å; L210-F213 WeakPolarHBondContact O-CB 3.44Å; L210-F213 PolarHBondContact O-N 2.86Å; V211-F213 VanDerWaalsContact C-N 3.31Å; V211-F213 PolarHBondContact O-N 3.22Å; F213-R215 VanDerWaalsContact C-N 3.33Å; F213-R215 PolarHBondContact O-N 3.03Å; F213-R216 PolarHBondContact O-N 3.24Å; F213-Y217 HydrophobicContact CD1-CD2 4.39Å; F213-Y217 AromaticContact CD2-CD2 3.68Å; F213-Y217 HydrophobicContact CD2-CD2 3.68Å; F213-Y217 AromaticContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CE1-CD2 4.19Å; F213-Y217 AromaticContact CE2-CD2 3.45Å; F213-Y217 HydrophobicContact CE2-CD2 3.45Å; F213-Y217 VanDerWaalsContact CE2-CD2 3.45Å; F213-Y217 AromaticContact CE2-CE2 3.43Å; F213-Y217 HydrophobicContact CE2-CE2 3.43Å; F213-Y217 VanDerWaalsContact CE2-CE2 3.43Å; F213-Y217 HydrophobicContact CG-CD2 4.15Å; F213-Y217 AromaticContact CZ-CD2 3.73Å; F213-Y217 HydrophobicContact CZ-CD2 3.73Å; F213-Y217 HydrophobicContact CZ-CE2 4.12Å; F213-Y217 WeakPolarHBondContact O-CD2 3.35Å; F213-Y217 PolarHBondContact O-N 2.79Å
214	Q	98.8	Very high	98.5	Very high	9 Å²	9	71.2 Å²	71.2	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-57.3	-47.7	176	-169.5	-149.2	30.3	0	0	110.8	I139 N142 T143 L210 V211 R216 Y217 Y218	I139-Q214 HydrophobicContact CD1-CB 3.73Å; I139-Q214 VanDerWaalsContact CD1-CD 3.41Å; I139-Q214 HydrophobicContact CD1-CG 3.88Å; I139-Q214 HydrophobicContact CG1-CB 3.55Å; I139-Q214 HydrophobicContact CG1-CG 3.71Å; N142-Q214 PolarHBondContact OD1-NE2 3.12Å; T143-Q214 PolarHBondContact OG1-NE2 3.3Å; L210-Q214 PolarHBondContact O-N 3.5Å; V211-Q214 PolarHBondContact O-N 3.01Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 3.45Å; Q214-Y217 CarbonylContact O-C 3.52Å; Q214-Y217 PolarHBondContact O-N 3.36Å; Q214-Y218 HydrophobicContact CG-CD2 4.15Å; Q214-Y218 WeakPolarHBondContact O-CA 3.39Å; Q214-Y218 VanDerWaalsContact O-CB 3.3Å; Q214-Y218 WeakPolarHBondContact O-CB 3.44Å; Q214-Y218 PolarHBondContact O-N 2.88Å
215	R	98.7	Very high	98.6	Very high	96 Å²	96	70.4 Å²	70.4	36%	0.362	34%	0.337	S	S	.	.	H	α-helix	trans	-57	-44.4	177.9	-177.3	171.6	-177.2	74.6	4.9	112.4	D149 V211 M212 F213 Y217	D149-R215 HydrophobicContact CB-CB 4.31Å; D149-R215 WeakPolarHBondContact OD1-CG 3.25Å; D149-R215 IonicContact OD1-CZ 3.98Å; D149-R215 IonicContact OD1-NH1 2.89Å; D149-R215 PolarHBondContact OD1-NH1 3.04Å; D149-R215 IonicContact OD2-CZ 3.81Å; D149-R215 IonicContact OD2-NH1 3.8Å; D149-R215 PolarHBondContact OD2-NH1 3.12Å; V211-R215 PolarHBondContact O-N 2.9Å; M212-R215 PolarHBondContact O-N 3.39Å; F213-R215 VanDerWaalsContact C-N 3.33Å; F213-R215 PolarHBondContact O-N 3.03Å; R215-Y217 PolarHBondContact O-N 3.26Å
216	R	98.6	Very high	98.6	Very high	192 Å²	192	70.4 Å²	70.4	73%	0.725	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-39.9	178.7	-178	174.7	178.8	169.9	0.6	112.7	M212 F213 Q214	M212-R216 WeakPolarHBondContact O-CB 3.37Å; M212-R216 PolarHBondContact O-N 2.95Å; F213-R216 PolarHBondContact O-N 3.24Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 3.45Å
217	Y	98.5	Very high	98.6	Very high	103 Å²	103	66.9 Å²	66.9	40%	0.404	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	22.2	-176.4	-62.1	-73.4	0	0	0	113.3	F213 Q214 R215 K219 P220 G221	F213-Y217 HydrophobicContact CD1-CD2 4.39Å; F213-Y217 AromaticContact CD2-CD2 3.68Å; F213-Y217 HydrophobicContact CD2-CD2 3.68Å; F213-Y217 AromaticContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CE1-CD2 4.19Å; F213-Y217 AromaticContact CE2-CD2 3.45Å; F213-Y217 HydrophobicContact CE2-CD2 3.45Å; F213-Y217 VanDerWaalsContact CE2-CD2 3.45Å; F213-Y217 AromaticContact CE2-CE2 3.43Å; F213-Y217 HydrophobicContact CE2-CE2 3.43Å; F213-Y217 VanDerWaalsContact CE2-CE2 3.43Å; F213-Y217 HydrophobicContact CG-CD2 4.15Å; F213-Y217 AromaticContact CZ-CD2 3.73Å; F213-Y217 HydrophobicContact CZ-CD2 3.73Å; F213-Y217 HydrophobicContact CZ-CE2 4.12Å; F213-Y217 WeakPolarHBondContact O-CD2 3.35Å; F213-Y217 PolarHBondContact O-N 2.79Å; Q214-Y217 CarbonylContact O-C 3.52Å; Q214-Y217 PolarHBondContact O-N 3.36Å; R215-Y217 PolarHBondContact O-N 3.26Å; Y217-K219 PolarHBondContact O-N 2.95Å; Y217-P220 VanDerWaalsContact O-CD 3.25Å; Y217-P220 WeakPolarHBondContact O-CD 3.47Å; Y217-P220 VanDerWaalsContact O-CG 3.31Å; Y217-P220 WeakPolarHBondContact O-CG 3.33Å; Y217-G221 PolarHBondContact O-N 3.41Å
218	Y	98.5	Very high	98.6	Very high	9 Å²	9	66.9 Å²	66.9	4%	0.035	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-46.7	-170.4	-169.1	-112.9	0	0	0	112	F146 Q147 N148 D149 Q214 G221 I222	F146-Y218 HydrophobicContact CD2-CE1 4.15Å; F146-Y218 HydrophobicContact CE2-CE1 4.29Å; Q147-Y218 PolarHBondContact N-OH 2.87Å; N148-Y218 WeakPolarHBondContact CA-OH 3.26Å; N148-Y218 PolarHBondContact N-OH 3.12Å; N148-Y218 PolarHBondContact O-OH 3.09Å; D149-Y218 HydrophobicContact CB-CD1 4.44Å; D149-Y218 HydrophobicContact CB-CD2 3.61Å; D149-Y218 HydrophobicContact CB-CE2 3.93Å; D149-Y218 HydrophobicContact CB-CG 3.89Å; D149-Y218 VanDerWaalsContact N-CZ 3.35Å; Q214-Y218 HydrophobicContact CG-CD2 4.15Å; Q214-Y218 WeakPolarHBondContact O-CA 3.39Å; Q214-Y218 VanDerWaalsContact O-CB 3.3Å; Q214-Y218 WeakPolarHBondContact O-CB 3.44Å; Q214-Y218 PolarHBondContact O-N 2.88Å; Y218-G221 PolarHBondContact O-N 2.8Å; Y218-I222 HydrophobicContact CD1-CG2 4.08Å; Y218-I222 HydrophobicContact CD2-CG2 4.11Å; Y218-I222 HydrophobicContact CE1-CD1 4.32Å; Y218-I222 HydrophobicContact CE1-CG2 3.64Å; Y218-I222 HydrophobicContact CE2-CG2 3.7Å; Y218-I222 HydrophobicContact CG-CG2 4.29Å; Y218-I222 VanDerWaalsContact CZ-CG2 3.42Å; Y218-I222 WeakPolarHBondContact O-CG1 3.49Å; Y218-I222 WeakPolarHBondContact O-CG2 3.31Å; Y218-I222 PolarHBondContact O-N 2.6Å
219	K	98.1	Very high	98.6	Very high	132 Å²	132	69.1 Å²	69.1	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-57.8	-55.1	-178.7	-68	-179.5	-177.1	173.1	0	113.6	Y217 G221 I222 L223	Y217-K219 PolarHBondContact O-N 2.95Å; K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.4Å; K219-I222 WeakPolarHBondContact O-CG1 3.05Å; K219-L223 WeakPolarHBondContact O-CG 3.4Å; K219-L223 PolarHBondContact O-N 2.94Å
220	P	98.3	Very high	98.6	Very high	76 Å²	76	60.2 Å²	60.2	49%	0.494	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-35.3	175.2	23.4	-32.1	0	0	0	111.9	Y217 L223 L224	Y217-P220 VanDerWaalsContact O-CD 3.25Å; Y217-P220 WeakPolarHBondContact O-CD 3.47Å; Y217-P220 VanDerWaalsContact O-CG 3.31Å; Y217-P220 WeakPolarHBondContact O-CG 3.33Å; P220-L223 PolarHBondContact O-N 3.45Å; P220-L224 WeakPolarHBondContact O-CB 3.49Å; P220-L224 PolarHBondContact O-N 2.96Å
221	G	98.6	Very high	98.6	Very high	18 Å²	18	59 Å²	59	19%	0.186	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-49.8	177	0	0	0	0	0	113.1	T143 Y217 Y218 K219 L224 L225	T143-G221 VanDerWaalsContact CG2-C 3.45Å; Y217-G221 PolarHBondContact O-N 3.41Å; Y218-G221 PolarHBondContact O-N 2.8Å; K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.4Å; G221-L224 PolarHBondContact O-N 3.47Å; G221-L225 VanDerWaalsContact O-CB 3.29Å; G221-L225 WeakPolarHBondContact O-CB 3.47Å; G221-L225 WeakPolarHBondContact O-CG 3.5Å; G221-L225 PolarHBondContact O-N 2.97Å
222	I	98.1	Very high	98.6	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.072	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-36	179.4	62.1	170.6	0	0	0	112.4	T143 F146 Y218 K219 L224 C226	T143-I222 HydrophobicContact CG2-CG2 3.97Å; F146-I222 HydrophobicContact CB-CG2 4.28Å; F146-I222 HydrophobicContact CD2-CB 4.09Å; F146-I222 HydrophobicContact CD2-CD1 3.64Å; F146-I222 HydrophobicContact CD2-CG1 4.45Å; F146-I222 HydrophobicContact CD2-CG2 3.76Å; F146-I222 HydrophobicContact CE1-CD1 4.19Å; F146-I222 HydrophobicContact CE2-CD1 3.25Å; F146-I222 HydrophobicContact CE2-CG1 4.46Å; F146-I222 HydrophobicContact CE2-CG2 4.46Å; F146-I222 HydrophobicContact CG-CB 4.21Å; F146-I222 HydrophobicContact CG-CD1 4.28Å; F146-I222 HydrophobicContact CG-CG2 4.15Å; F146-I222 HydrophobicContact CZ-CD1 3.56Å; Y218-I222 HydrophobicContact CD1-CG2 4.08Å; Y218-I222 HydrophobicContact CD2-CG2 4.11Å; Y218-I222 HydrophobicContact CE1-CD1 4.32Å; Y218-I222 HydrophobicContact CE1-CG2 3.64Å; Y218-I222 HydrophobicContact CE2-CG2 3.7Å; Y218-I222 HydrophobicContact CG-CG2 4.29Å; Y218-I222 VanDerWaalsContact CZ-CG2 3.42Å; Y218-I222 WeakPolarHBondContact O-CG1 3.49Å; Y218-I222 WeakPolarHBondContact O-CG2 3.31Å; Y218-I222 PolarHBondContact O-N 2.6Å; K219-I222 WeakPolarHBondContact O-CG1 3.05Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 2.96Å; I222-C226 WeakPolarHBondContact O-CA 3.26Å; I222-C226 WeakPolarHBondContact O-CB 3.25Å; I222-C226 PolarHBondContact O-N 3.33Å
223	L	98.3	Very high	98.6	Very high	99 Å²	99	60 Å²	60	52%	0.518	28%	0.284	S	S	.	.	I	π-helix	trans	-63	-45.3	177	-71.2	175.8	0	0	0	110.1	K219 P220 F227 I228	K219-L223 WeakPolarHBondContact O-CG 3.4Å; K219-L223 PolarHBondContact O-N 2.94Å; P220-L223 PolarHBondContact O-N 3.45Å; L223-F227 PolarHBondContact O-N 2.94Å; L223-I228 VanDerWaalsContact O-CG1 3.3Å; L223-I228 WeakPolarHBondContact O-CG1 3.29Å; L223-I228 PolarHBondContact O-N 3.24Å
224	L	98.7	Very high	98.6	Very high	90 Å²	90	54.3 Å²	54.3	47%	0.471	26%	0.259	S	S	.	.	I	π-helix	trans	-66.4	-55	177.4	-179.3	60.5	0	0	0	112.1	P220 G221 I222 I228 L229	P220-L224 WeakPolarHBondContact O-CB 3.49Å; P220-L224 PolarHBondContact O-N 2.96Å; G221-L224 PolarHBondContact O-N 3.47Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 2.96Å; L224-I228 HydrophobicContact CD1-CB 4.47Å; L224-I228 HydrophobicContact CD1-CG2 4.37Å; L224-I228 PolarHBondContact O-N 3.39Å; L224-L229 VanDerWaalsContact O-CB 3.26Å; L224-L229 WeakPolarHBondContact O-CB 3.22Å; L224-L229 PolarHBondContact O-N 3.14Å
225	L	98.7	Very high	98.5	Very high	26 Å²	26	58.8 Å²	58.8	14%	0.136	28%	0.275	C	S	.	.	I	π-helix	trans	-87.4	-27.1	-167.2	-64.7	174.6	0	0	0	113.7	Y107 I140 T143 M144 G221 L229	Y107-L225 VanDerWaalsContact CE1-O 3.24Å; Y107-L225 WeakPolarHBondContact CE1-O 3.38Å; Y107-L225 VanDerWaalsContact CZ-O 3.26Å; Y107-L225 PolarHBondContact OH-O 3.29Å; I140-L225 HydrophobicContact CG2-CD1 4.03Å; I140-L225 HydrophobicContact CG2-CD2 4.38Å; T143-L225 HydrophobicContact CG2-CB 4.46Å; T143-L225 HydrophobicContact CG2-CD1 3.79Å; M144-L225 HydrophobicContact CG-CB 3.98Å; G221-L225 VanDerWaalsContact O-CB 3.29Å; G221-L225 WeakPolarHBondContact O-CB 3.47Å; G221-L225 WeakPolarHBondContact O-CG 3.5Å; G221-L225 PolarHBondContact O-N 2.97Å; L225-L229 HydrophobicContact CD2-CD2 4.18Å
226	C	98.6	Very high	98.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-92	-31.7	178.3	-165.2	0	0	0	0	112.1	M144 F146 I222 P230 R253	M144-C226 PolarHBondContact O-SG 2.99Å; F146-C226 HydrophobicContact CB-CB 4.01Å; I222-C226 WeakPolarHBondContact O-CA 3.26Å; I222-C226 WeakPolarHBondContact O-CB 3.25Å; I222-C226 PolarHBondContact O-N 3.33Å; C226-P230 WeakPolarHBondContact O-CG 3.33Å; C226-R253 PolarHBondContact O-NH1 2.75Å; C226-R253 PolarHBondContact O-NH2 3.2Å
227	F	98.6	Very high	98.5	Very high	49 Å²	49	60.4 Å²	60.4	22%	0.215	29%	0.288	C	S	.	.	I	π-helix	trans	-117.9	-55.9	-171.4	-60.3	-79.4	0	0	0	114.6	F146 L223 T231 T250 L251 Y254	F146-F227 AromaticContact CD1-CE2 3.74Å; F146-F227 HydrophobicContact CD1-CE2 3.74Å; F146-F227 AromaticContact CD1-CZ 3.89Å; F146-F227 HydrophobicContact CD1-CZ 3.89Å; F146-F227 AromaticContact CE1-CE2 3.86Å; F146-F227 HydrophobicContact CE1-CE2 3.86Å; F146-F227 AromaticContact CE1-CZ 3.96Å; F146-F227 HydrophobicContact CE1-CZ 3.96Å; L223-F227 PolarHBondContact O-N 2.94Å; F227-T231 VanDerWaalsContact O-CB 3.32Å; F227-T231 WeakPolarHBondContact O-CB 3.28Å; F227-T231 PolarHBondContact O-N 3.23Å; F227-T231 PolarHBondContact O-OG1 3.48Å; F227-T250 HydrophobicContact CB-CG2 4.37Å; F227-T250 HydrophobicContact CD1-CG2 3.77Å; F227-T250 HydrophobicContact CG-CG2 4.47Å; F227-L251 HydrophobicContact CE1-CD2 4.28Å; F227-Y254 HydrophobicContact CE1-CD1 4.36Å; F227-Y254 HydrophobicContact CZ-CD1 4.28Å; F227-Y254 HydrophobicContact CZ-CE1 4.2Å
228	I	98.7	Very high	98.5	Very high	82 Å²	82	58.1 Å²	58.1	42%	0.421	28%	0.278	S	S	.	.	I	π-helix	trans	-69.4	-59.7	-171	-65.4	167.1	0	0	0	111	L223 L224 T231 L232	L223-I228 VanDerWaalsContact O-CG1 3.3Å; L223-I228 WeakPolarHBondContact O-CG1 3.29Å; L223-I228 PolarHBondContact O-N 3.24Å; L224-I228 HydrophobicContact CD1-CB 4.47Å; L224-I228 HydrophobicContact CD1-CG2 4.37Å; L224-I228 PolarHBondContact O-N 3.39Å; I228-T231 PolarHBondContact O-N 3.2Å; I228-T231 VanDerWaalsContact O-N 3.16Å; I228-L232 HydrophobicContact CG2-CD1 3.57Å; I228-L232 HydrophobicContact CG2-CG 4.05Å; I228-L232 WeakPolarHBondContact O-CG 3.49Å; I228-L232 PolarHBondContact O-N 3.24Å
229	L	98.5	Very high	98.4	Very high	65 Å²	65	60.1 Å²	60.1	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-56.8	-50	-177.2	-170.7	69.3	0	0	0	113.4	L224 L225 T231 L232 V233	L224-L229 VanDerWaalsContact O-CB 3.26Å; L224-L229 WeakPolarHBondContact O-CB 3.22Å; L224-L229 PolarHBondContact O-N 3.14Å; L225-L229 HydrophobicContact CD2-CD2 4.18Å; L229-T231 PolarHBondContact O-N 2.62Å; L229-L232 PolarHBondContact O-N 3.41Å; L229-V233 HydrophobicContact CD1-CG2 3.82Å; L229-V233 HydrophobicContact CG-CG2 4.14Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 3.48Å
230	P	98.7	Very high	98.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-20.8	179.9	25.1	-33.4	0	0	0	113.8	W103 Y107 C226 P234 T250 R253	W103-P230 PolarHBondContact NE1-O 2.77Å; Y107-P230 HydrophobicContact CD1-CB 4.37Å; Y107-P230 HydrophobicContact CD2-CB 4.32Å; Y107-P230 HydrophobicContact CE1-CB 4.1Å; Y107-P230 HydrophobicContact CE1-CG 4.14Å; Y107-P230 HydrophobicContact CE2-CB 4.12Å; Y107-P230 HydrophobicContact CG-CB 4.42Å; C226-P230 WeakPolarHBondContact O-CG 3.33Å; P230-P234 WeakPolarHBondContact O-CD 3.27Å; P230-P234 WeakPolarHBondContact O-CG 3.3Å; P230-T250 WeakPolarHBondContact CG-OG1 3.39Å; P230-R253 VanDerWaalsContact CB-NH1 3.33Å; P230-R253 VanDerWaalsContact CG-NH1 3.29Å
231	T	98.8	Very high	98.5	Very high	5 Å²	5	54 Å²	54	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-82.7	-44.4	172.6	-58.8	0	0	0	0	112	F227 I228 L229 F242 S245 F246 T250	F227-T231 VanDerWaalsContact O-CB 3.32Å; F227-T231 WeakPolarHBondContact O-CB 3.28Å; F227-T231 PolarHBondContact O-N 3.23Å; F227-T231 PolarHBondContact O-OG1 3.48Å; I228-T231 PolarHBondContact O-N 3.2Å; I228-T231 VanDerWaalsContact O-N 3.16Å; L229-T231 PolarHBondContact O-N 2.62Å; T231-F242 HydrophobicContact CG2-CD2 4.11Å; T231-F242 HydrophobicContact CG2-CE2 3.66Å; T231-F242 HydrophobicContact CG2-CZ 3.97Å; T231-S245 WeakPolarHBondContact O-CB 3.41Å; T231-F246 HydrophobicContact CG2-CB 3.92Å; T231-F246 HydrophobicContact CG2-CD2 4.24Å; T231-T250 PolarHBondContact N-OG1 3.26Å; T231-T250 WeakPolarHBondContact OG1-CB 3.49Å; T231-T250 PolarHBondContact OG1-OG1 3.17Å
232	L	98.6	Very high	98.5	Very high	56 Å²	56	58 Å²	58	29%	0.293	29%	0.285	S	S	.	.	H	α-helix	trans	-75.6	-33.8	-173.5	-64.8	-171.9	0	0	0	112.5	I228 L229 W235 Y236 F242	I228-L232 HydrophobicContact CG2-CD1 3.57Å; I228-L232 HydrophobicContact CG2-CG 4.05Å; I228-L232 WeakPolarHBondContact O-CG 3.49Å; I228-L232 PolarHBondContact O-N 3.24Å; L229-L232 PolarHBondContact O-N 3.41Å; L232-W235 HydrophobicContact CD2-CE3 3.66Å; L232-W235 HydrophobicContact CD2-CZ3 3.94Å; L232-W235 PolarHBondContact O-N 3.36Å; L232-Y236 HydrophobicContact CB-CD2 4.03Å; L232-Y236 HydrophobicContact CB-CE2 4.21Å; L232-Y236 HydrophobicContact CD1-CE2 4.43Å; L232-Y236 HydrophobicContact CD2-CE2 4.1Å; L232-Y236 HydrophobicContact CG-CE2 4.47Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.06Å; L232-Y236 PolarHBondContact O-N 3.4Å; L232-F242 HydrophobicContact CD2-CE2 4.48Å
233	V	98.7	Very high	98.5	Very high	19 Å²	19	60.7 Å²	60.7	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-52	-177.4	169.2	0	0	0	0	111.9	W103 L229 W235 Y236 F237 W238	W103-V233 HydrophobicContact CD2-CG1 4.06Å; W103-V233 HydrophobicContact CE3-CG1 4.09Å; W103-V233 HydrophobicContact CH2-CB 4.1Å; W103-V233 HydrophobicContact CH2-CG1 3.83Å; W103-V233 HydrophobicContact CH2-CG2 4.01Å; W103-V233 HydrophobicContact CZ2-CB 3.66Å; W103-V233 HydrophobicContact CZ2-CG1 3.77Å; W103-V233 HydrophobicContact CZ2-CG2 3.84Å; W103-V233 HydrophobicContact CZ3-CG1 3.99Å; L229-V233 HydrophobicContact CD1-CG2 3.82Å; L229-V233 HydrophobicContact CG-CG2 4.14Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 3.48Å; V233-W235 VanDerWaalsContact C-N 3.29Å; V233-W235 PolarHBondContact O-N 3.35Å; V233-Y236 PolarHBondContact O-N 3.13Å; V233-F237 HydrophobicContact CB-CD2 4.34Å; V233-F237 HydrophobicContact CG1-CD2 3.94Å; V233-F237 HydrophobicContact CG2-CE2 4.41Å; V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 WeakPolarHBondContact O-CD2 3.18Å; V233-F237 PolarHBondContact O-N 3.16Å; V233-W238 HydrophobicContact CG1-CH2 3.67Å; V233-W238 HydrophobicContact CG1-CZ3 3.71Å
234	P	98.7	Very high	98.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-36.9	177.4	-20.6	31.3	0	0	0	113.9	T100 W103 P230 W238 G239 E240 A249	T100-P234 HydrophobicContact CG2-CB 4.35Å; W103-P234 VanDerWaalsContact CD1-CG 3.43Å; W103-P234 HydrophobicContact CG-CG 4.17Å; P230-P234 WeakPolarHBondContact O-CD 3.27Å; P230-P234 WeakPolarHBondContact O-CG 3.3Å; P234-W238 HydrophobicContact CB-CH2 4.2Å; P234-W238 HydrophobicContact CB-CZ2 3.36Å; P234-W238 HydrophobicContact CG-CH2 4.1Å; P234-W238 HydrophobicContact CG-CZ2 3.54Å; P234-G239 PolarHBondContact O-N 3.35Å; P234-E240 HydrophobicContact CB-CB 3.9Å; P234-E240 HydrophobicContact CB-CG 4.34Å; P234-E240 WeakPolarHBondContact O-CB 3.46Å; P234-E240 PolarHBondContact O-N 3.43Å; P234-E240 VanDerWaalsContact O-N 3.11Å; P234-A249 HydrophobicContact CG-CB 4.02Å
235	W	98.5	Very high	98.5	Very high	103 Å²	103	52.7 Å²	52.7	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-44.6	-179.3	-176.1	35	0	0	0	112.3	L232 V233 E240 F242 S245	L232-W235 HydrophobicContact CD2-CE3 3.66Å; L232-W235 HydrophobicContact CD2-CZ3 3.94Å; L232-W235 PolarHBondContact O-N 3.36Å; V233-W235 VanDerWaalsContact C-N 3.29Å; V233-W235 PolarHBondContact O-N 3.35Å; W235-E240 WeakPolarHBondContact CA-O 3.16Å; W235-E240 VanDerWaalsContact CD1-O 3.22Å; W235-F242 HydrophobicContact CD2-CB 4.48Å; W235-F242 HydrophobicContact CD2-CD2 4.05Å; W235-F242 AromaticContact CE3-CD2 3.99Å; W235-F242 HydrophobicContact CE3-CD2 3.99Å; W235-F242 HydrophobicContact CG-CB 4.49Å; W235-F242 HydrophobicContact CZ3-CD2 4.33Å; W235-S245 PolarHBondContact N-OG 3.26Å
236	Y	98.2	Very high	98.5	Very high	158 Å²	158	54.5 Å²	54.5	62%	0.62	26%	0.264	S	S	*	.	H	α-helix	trans	-84.5	-40.1	-177.7	-78.1	-72	0	0	0	114.4	L232 V233	L232-Y236 HydrophobicContact CB-CD2 4.03Å; L232-Y236 HydrophobicContact CB-CE2 4.21Å; L232-Y236 HydrophobicContact CD1-CE2 4.43Å; L232-Y236 HydrophobicContact CD2-CE2 4.1Å; L232-Y236 HydrophobicContact CG-CE2 4.47Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.06Å; L232-Y236 PolarHBondContact O-N 3.4Å; V233-Y236 PolarHBondContact O-N 3.13Å
237	F	98.4	Very high	98.5	Very high	165 Å²	165	57.9 Å²	57.9	72%	0.724	28%	0.277	S	S	*	.	H	α-helix	trans	-89.4	-25.7	-166.4	-74.6	-84.4	0	0	0	114.8	V233	V233-F237 HydrophobicContact CB-CD2 4.34Å; V233-F237 HydrophobicContact CG1-CD2 3.94Å; V233-F237 HydrophobicContact CG2-CE2 4.41Å; V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 WeakPolarHBondContact O-CD2 3.18Å; V233-F237 PolarHBondContact O-N 3.16Å
238	W	98.2	Very high	98.5	Very high	55 Å²	55	55.8 Å²	55.8	21%	0.208	27%	0.268	C	S	.	.	S	Bend	trans	-136.9	19	177.1	55.5	84.4	0	0	0	113.9	K97 Y99 T100 W103 V233 P234 E240	K97-W238 VanDerWaalsContact CD-O 3.32Å; K97-W238 WeakPolarHBondContact CD-O 3.22Å; K97-W238 WeakPolarHBondContact CE-O 3.43Å; Y99-W238 HydrophobicContact CD2-CB 3.96Å; Y99-W238 HydrophobicContact CD2-CG 4.19Å; Y99-W238 WeakPolarHBondContact O-CZ2 3.28Å; T100-W238 PolarHBondContact OG1-NE1 3.46Å; W103-W238 HydrophobicContact CB-CH2 3.6Å; W103-W238 HydrophobicContact CB-CZ2 3.6Å; W103-W238 AromaticContact CD2-CH2 3.99Å; W103-W238 HydrophobicContact CD2-CH2 3.99Å; W103-W238 HydrophobicContact CE3-CH2 4.27Å; W103-W238 AromaticContact CG-CH2 3.71Å; W103-W238 HydrophobicContact CG-CH2 3.71Å; W103-W238 AromaticContact CG-CZ2 3.94Å; W103-W238 HydrophobicContact CG-CZ2 3.94Å; V233-W238 HydrophobicContact CG1-CH2 3.67Å; V233-W238 HydrophobicContact CG1-CZ3 3.71Å; P234-W238 HydrophobicContact CB-CH2 4.2Å; P234-W238 HydrophobicContact CB-CZ2 3.36Å; P234-W238 HydrophobicContact CG-CH2 4.1Å; P234-W238 HydrophobicContact CG-CZ2 3.54Å; W238-E240 VanDerWaalsContact C-N 3.27Å; W238-E240 PolarHBondContact O-N 2.92Å
239	G	97.7	Very high	98.5	Very high	50 Å²	50	51.9 Å²	51.9	52%	0.515	25%	0.248	S	C	.	.			trans	62.2	32.4	171.4	0	0	0	0	0	113.5	K97 P234	K97-G239 WeakPolarHBondContact CE-O 3.36Å; P234-G239 PolarHBondContact O-N 3.35Å
240	E	98.4	Very high	98.5	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	23%	0.232	C	C	.	.			trans	-65.1	149.3	168.9	-174.9	59.2	-82.5	0	0	109.8	K97 T100 P234 W235 W238 H244 S245	K97-E240 WeakPolarHBondContact CB-OE2 3.4Å; K97-E240 HydrophobicContact CD-CB 4.35Å; K97-E240 PolarHBondContact N-OE2 3.35Å; T100-E240 WeakPolarHBondContact CB-OE2 3.24Å; T100-E240 HydrophobicContact CG2-CG 4.03Å; T100-E240 VanDerWaalsContact OG1-CG 3.26Å; T100-E240 WeakPolarHBondContact OG1-CG 3.46Å; T100-E240 PolarHBondContact OG1-OE2 2.84Å; P234-E240 HydrophobicContact CB-CB 3.9Å; P234-E240 HydrophobicContact CB-CG 4.34Å; P234-E240 WeakPolarHBondContact O-CB 3.46Å; P234-E240 PolarHBondContact O-N 3.43Å; P234-E240 VanDerWaalsContact O-N 3.11Å; W235-E240 WeakPolarHBondContact CA-O 3.16Å; W235-E240 VanDerWaalsContact CD1-O 3.22Å; W238-E240 VanDerWaalsContact C-N 3.27Å; W238-E240 PolarHBondContact O-N 2.92Å; E240-H244 HydrophobicContact CG-CB 3.68Å; E240-H244 IonicContact OE1-CG 3.92Å; E240-S245 WeakPolarHBondContact CG-OG 3.41Å
241	T	98.4	Very high	98.5	Very high	71 Å²	71	49.7 Å²	49.7	44%	0.436	24%	0.237	S	C	.	.			trans	-65.5	148.4	174.2	67.1	0	0	0	0	110.8	L243 H244 S245	T241-L243 PolarHBondContact O-N 2.71Å; T241-H244 PolarHBondContact O-N 3.04Å; T241-H244 WeakPolarHBondContact OG1-CB 3.41Å; T241-H244 PolarHBondContact OG1-N 2.67Å; T241-H244 PolarHBondContact OG1-ND1 2.87Å; T241-S245 PolarHBondContact O-N 3.49Å; T241-S245 PolarHBondContact O-OG 2.86Å
242	F	98.5	Very high	98.5	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.452	24%	0.241	S	C	.	.	H	α-helix	trans	-55.2	-39.1	175.1	-176.5	-90.5	0	0	0	111.5	T231 L232 W235 S245 F246	T231-F242 HydrophobicContact CG2-CD2 4.11Å; T231-F242 HydrophobicContact CG2-CE2 3.66Å; T231-F242 HydrophobicContact CG2-CZ 3.97Å; L232-F242 HydrophobicContact CD2-CE2 4.48Å; W235-F242 HydrophobicContact CD2-CB 4.48Å; W235-F242 HydrophobicContact CD2-CD2 4.05Å; W235-F242 AromaticContact CE3-CD2 3.99Å; W235-F242 HydrophobicContact CE3-CD2 3.99Å; W235-F242 HydrophobicContact CG-CB 4.49Å; W235-F242 HydrophobicContact CZ3-CD2 4.33Å; F242-S245 PolarHBondContact O-N 3.28Å; F242-F246 HydrophobicContact CE1-CB 4.27Å; F242-F246 VanDerWaalsContact O-CB 3.29Å; F242-F246 WeakPolarHBondContact O-CB 3.45Å; F242-F246 PolarHBondContact O-N 2.75Å
243	L	98.4	Very high	98.5	Very high	70 Å²	70	48.3 Å²	48.3	37%	0.366	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-49.5	178.3	-177.3	145.9	0	0	0	112	Y88 L92 T241 F246 Y247	Y88-L243 HydrophobicContact CE1-CD2 4.31Å; L92-L243 HydrophobicContact CD1-CD2 3.42Å; L92-L243 VanDerWaalsContact CD1-CD2 3.42Å; L92-L243 HydrophobicContact CD1-CG 4.49Å; L92-L243 HydrophobicContact CD2-CD2 3.72Å; L92-L243 HydrophobicContact CG-CD2 4.21Å; T241-L243 PolarHBondContact O-N 2.71Å; L243-F246 PolarHBondContact O-N 3.36Å; L243-Y247 HydrophobicContact CG-CD2 4.07Å; L243-Y247 HydrophobicContact CG-CE2 4.37Å; L243-Y247 WeakPolarHBondContact O-CD2 3.17Å; L243-Y247 PolarHBondContact O-N 3.15Å
244	H	98.5	Very high	98.5	Very high	22 Å²	22	48 Å²	48	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-41.4	177.4	-73.8	66.8	0	0	0	111.4	L92 S95 S96 E240 T241 F246 V248	L92-H244 PolarHBondContact O-CD2 3.49Å; S95-H244 WeakPolarHBondContact CB-NE2 3.46Å; S95-H244 PolarHBondContact OG-NE2 3.24Å; S96-H244 PolarHBondContact OG-CD2 3.26Å; E240-H244 HydrophobicContact CG-CB 3.68Å; E240-H244 IonicContact OE1-CG 3.92Å; T241-H244 PolarHBondContact O-N 3.04Å; T241-H244 WeakPolarHBondContact OG1-CB 3.41Å; T241-H244 PolarHBondContact OG1-N 2.67Å; T241-H244 PolarHBondContact OG1-ND1 2.87Å; H244-F246 VanDerWaalsContact C-N 3.33Å; H244-F246 PolarHBondContact O-N 3.38Å; H244-V248 WeakPolarHBondContact O-CA 3.29Å; H244-V248 WeakPolarHBondContact O-CB 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.43Å; H244-V248 PolarHBondContact O-N 3.37Å
245	S	98.6	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-61.6	-41.5	178.5	-48.8	0	0	0	0	112.2	T231 W235 E240 T241 F242 A249 T250	T231-S245 WeakPolarHBondContact O-CB 3.41Å; W235-S245 PolarHBondContact N-OG 3.26Å; E240-S245 WeakPolarHBondContact CG-OG 3.41Å; T241-S245 PolarHBondContact O-N 3.49Å; T241-S245 PolarHBondContact O-OG 2.86Å; F242-S245 PolarHBondContact O-N 3.28Å; S245-A249 WeakPolarHBondContact O-CB 3.45Å; S245-A249 PolarHBondContact O-N 3.4Å; S245-T250 PolarHBondContact O-N 2.99Å
246	F	98.7	Very high	98.5	Very high	63 Å²	63	46.1 Å²	46.1	28%	0.276	23%	0.226	S	C	.	.	I	π-helix	trans	-74.1	-49.1	179.7	-177.2	-110.6	0	0	0	112.3	T231 F242 L243 H244 T250 L251	T231-F246 HydrophobicContact CG2-CB 3.92Å; T231-F246 HydrophobicContact CG2-CD2 4.24Å; F242-F246 HydrophobicContact CE1-CB 4.27Å; F242-F246 VanDerWaalsContact O-CB 3.29Å; F242-F246 WeakPolarHBondContact O-CB 3.45Å; F242-F246 PolarHBondContact O-N 2.75Å; L243-F246 PolarHBondContact O-N 3.36Å; H244-F246 VanDerWaalsContact C-N 3.33Å; H244-F246 PolarHBondContact O-N 3.38Å; F246-T250 WeakPolarHBondContact O-CB 3.37Å; F246-L251 HydrophobicContact CD1-CD1 4.16Å; F246-L251 HydrophobicContact CD1-CG 4.42Å; F246-L251 HydrophobicContact CE1-CD1 3.55Å; F246-L251 HydrophobicContact CE1-CG 4.03Å; F246-L251 HydrophobicContact CE2-CD2 4.41Å; F246-L251 HydrophobicContact CE2-CG 4.46Å; F246-L251 HydrophobicContact CZ-CD1 3.89Å; F246-L251 HydrophobicContact CZ-CD2 4.1Å; F246-L251 HydrophobicContact CZ-CG 4.05Å; F246-L251 PolarHBondContact O-N 3.28Å
247	Y	98.8	Very high	98.6	Very high	71 Å²	71	38.7 Å²	38.7	28%	0.278	20%	0.197	S	C	.	.	I	π-helix	trans	-79.1	-35.7	-175	-76.9	-77.2	0	0	0	113.5	G85 Y88 L92 L243 L251 L252	G85-Y247 VanDerWaalsContact O-CD1 3.31Å; G85-Y247 WeakPolarHBondContact O-CD1 3.3Å; Y88-Y247 AromaticContact CD1-CD1 3.71Å; Y88-Y247 HydrophobicContact CD1-CD1 3.71Å; Y88-Y247 AromaticContact CD1-CD2 3.89Å; Y88-Y247 HydrophobicContact CD1-CD2 3.89Å; Y88-Y247 AromaticContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE1 3.8Å; Y88-Y247 AromaticContact CD1-CE2 3.98Å; Y88-Y247 HydrophobicContact CD1-CE2 3.98Å; Y88-Y247 AromaticContact CD1-CG 3.75Å; Y88-Y247 HydrophobicContact CD1-CG 3.75Å; Y88-Y247 AromaticContact CD1-CZ 3.92Å; Y88-Y247 AromaticContact CE1-CD2 3.94Å; Y88-Y247 HydrophobicContact CE1-CD2 3.94Å; Y88-Y247 AromaticContact CE1-CE2 3.96Å; Y88-Y247 HydrophobicContact CE1-CE2 3.96Å; Y88-Y247 HydrophobicContact CE1-CG 4.24Å; L92-Y247 HydrophobicContact CD1-CD2 4.43Å; L92-Y247 HydrophobicContact CD1-CG 4.32Å; L243-Y247 HydrophobicContact CG-CD2 4.07Å; L243-Y247 HydrophobicContact CG-CE2 4.37Å; L243-Y247 WeakPolarHBondContact O-CD2 3.17Å; L243-Y247 PolarHBondContact O-N 3.15Å; Y247-L251 HydrophobicContact CD1-CD1 3.8Å; Y247-L251 HydrophobicContact CE1-CD1 3.9Å; Y247-L252 VanDerWaalsContact O-CB 3.24Å; Y247-L252 WeakPolarHBondContact O-CB 2.96Å; Y247-L252 PolarHBondContact O-N 3.25Å
248	V	98.8	Very high	98.6	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	16%	0.164	C	C	.	.	I	π-helix	trans	-89.9	-63.2	-177.9	-175	0	0	0	0	111	L92 I93 L101 H244 T250 R253	L92-V248 HydrophobicContact CB-CG2 3.77Å; I93-V248 HydrophobicContact CG1-CG1 4.5Å; L101-V248 HydrophobicContact CD2-CG1 4.06Å; H244-V248 WeakPolarHBondContact O-CA 3.29Å; H244-V248 WeakPolarHBondContact O-CB 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.43Å; H244-V248 PolarHBondContact O-N 3.37Å; V248-T250 PolarHBondContact O-N 2.85Å; V248-R253 PolarHBondContact O-N 2.8Å
249	A	98.6	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-71.9	-17.4	-174.1	0	0	0	0	0	113.8	T100 A104 P234 S245 R253	T100-A249 HydrophobicContact CG2-CB 4.16Å; A104-A249 HydrophobicContact CB-CB 4.39Å; P234-A249 HydrophobicContact CG-CB 4.02Å; S245-A249 WeakPolarHBondContact O-CB 3.45Å; S245-A249 PolarHBondContact O-N 3.4Å; A249-R253 WeakPolarHBondContact O-CD 3.4Å; A249-R253 PolarHBondContact O-NE 3.17Å
250	T	98.8	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-112.3	-69.1	179.9	-65.1	0	0	0	0	113.4	F227 P230 T231 S245 F246 V248 R253 Y254	F227-T250 HydrophobicContact CB-CG2 4.37Å; F227-T250 HydrophobicContact CD1-CG2 3.77Å; F227-T250 HydrophobicContact CG-CG2 4.47Å; P230-T250 WeakPolarHBondContact CG-OG1 3.39Å; T231-T250 PolarHBondContact N-OG1 3.26Å; T231-T250 WeakPolarHBondContact OG1-CB 3.49Å; T231-T250 PolarHBondContact OG1-OG1 3.17Å; S245-T250 PolarHBondContact O-N 2.99Å; F246-T250 WeakPolarHBondContact O-CB 3.37Å; V248-T250 PolarHBondContact O-N 2.85Å; T250-R253 PolarHBondContact O-NE 3.11Å; T250-R253 PolarHBondContact O-NH2 3.25Å; T250-Y254 WeakPolarHBondContact O-CB 3.34Å; T250-Y254 PolarHBondContact O-N 3.34Å
251	L	98.8	Very high	98.7	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.099	15%	0.15	C	C	.	.	I	π-helix	trans	-69.7	-52.5	-172.1	-64.3	-170.4	0	0	0	113	L82 F227 F246 Y247 Y254 A255	L82-L251 HydrophobicContact CD1-CB 4.33Å; L82-L251 HydrophobicContact CD1-CD2 4Å; F227-L251 HydrophobicContact CE1-CD2 4.28Å; F246-L251 HydrophobicContact CD1-CD1 4.16Å; F246-L251 HydrophobicContact CD1-CG 4.42Å; F246-L251 HydrophobicContact CE1-CD1 3.55Å; F246-L251 HydrophobicContact CE1-CG 4.03Å; F246-L251 HydrophobicContact CE2-CD2 4.41Å; F246-L251 HydrophobicContact CE2-CG 4.46Å; F246-L251 HydrophobicContact CZ-CD1 3.89Å; F246-L251 HydrophobicContact CZ-CD2 4.1Å; F246-L251 HydrophobicContact CZ-CG 4.05Å; F246-L251 PolarHBondContact O-N 3.28Å; Y247-L251 HydrophobicContact CD1-CD1 3.8Å; Y247-L251 HydrophobicContact CE1-CD1 3.9Å; L251-Y254 PolarHBondContact O-N 3.15Å; L251-A255 WeakPolarHBondContact O-CB 3.37Å; L251-A255 PolarHBondContact O-N 2.68Å
252	L	98.9	Very high	98.7	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.115	13%	0.131	C	C	.	.	I	π-helix	trans	-59.8	-52.1	177.6	173.4	60.3	0	0	0	110.8	A86 I90 I93 Y247 Y254 A255 V256	A86-L252 HydrophobicContact CB-CB 4.42Å; A86-L252 HydrophobicContact CB-CD1 4.15Å; I90-L252 HydrophobicContact CD1-CD1 4.31Å; I90-L252 HydrophobicContact CG1-CD1 3.75Å; I90-L252 HydrophobicContact CG1-CD2 4.04Å; I93-L252 HydrophobicContact CD1-CD2 3.82Å; I93-L252 HydrophobicContact CG1-CD2 4.12Å; Y247-L252 VanDerWaalsContact O-CB 3.24Å; Y247-L252 WeakPolarHBondContact O-CB 2.96Å; Y247-L252 PolarHBondContact O-N 3.25Å; L252-Y254 VanDerWaalsContact C-N 3.28Å; L252-Y254 PolarHBondContact O-N 3.44Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-A255 VanDerWaalsContact O-N 3.16Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.32Å; L252-V256 VanDerWaalsContact O-CG2 3.3Å; L252-V256 WeakPolarHBondContact O-CG2 3.49Å; L252-V256 PolarHBondContact O-N 2.96Å
253	R	98.8	Very high	98.7	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.038	12%	0.124	C	C	.	.	H	α-helix	trans	-54.2	-44.4	176.9	171	-119.7	43.6	-168.5	-9	112.1	A104 C226 P230 V248 A249 T250 V256 V257	A104-R253 HydrophobicContact CB-CB 4.41Å; C226-R253 PolarHBondContact O-NH1 2.75Å; C226-R253 PolarHBondContact O-NH2 3.2Å; P230-R253 VanDerWaalsContact CB-NH1 3.33Å; P230-R253 VanDerWaalsContact CG-NH1 3.29Å; V248-R253 PolarHBondContact O-N 2.8Å; A249-R253 WeakPolarHBondContact O-CD 3.4Å; A249-R253 PolarHBondContact O-NE 3.17Å; T250-R253 PolarHBondContact O-NE 3.11Å; T250-R253 PolarHBondContact O-NH2 3.25Å; R253-V256 PolarHBondContact O-N 2.62Å; R253-V257 WeakPolarHBondContact O-CG2 3.41Å; R253-V257 PolarHBondContact O-N 3.05Å
254	Y	98.8	Very high	98.7	Very high	14 Å²	14	22 Å²	22	6%	0.055	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-45.2	178.3	177.1	-138	0	0	0	112	L82 A145 F146 F227 T250 L251 L252 V256 V257 L258	L82-Y254 HydrophobicContact CD1-CD1 3.71Å; L82-Y254 HydrophobicContact CD1-CE1 4.38Å; L82-Y254 HydrophobicContact CD2-CD1 3.68Å; L82-Y254 HydrophobicContact CD2-CE1 3.63Å; L82-Y254 HydrophobicContact CG-CD1 4.37Å; A145-Y254 WeakPolarHBondContact O-CE2 3.38Å; F146-Y254 HydrophobicContact CB-CE2 3.85Å; F146-Y254 AromaticContact CD1-CE1 3.8Å; F146-Y254 HydrophobicContact CD1-CE1 3.8Å; F146-Y254 HydrophobicContact CD1-CE2 4.16Å; F146-Y254 AromaticContact CD1-CZ 3.41Å; F146-Y254 VanDerWaalsContact CD1-CZ 3.41Å; F146-Y254 WeakPolarHBondContact CD1-OH 3.44Å; F146-Y254 HydrophobicContact CE1-CE1 4.29Å; F146-Y254 HydrophobicContact CG-CE2 4.36Å; F146-Y254 AromaticContact CG-CZ 3.95Å; F146-Y254 WeakPolarHBondContact CG-OH 3.45Å; F146-Y254 PolarHBondContact O-OH 2.96Å; F227-Y254 HydrophobicContact CE1-CD1 4.36Å; F227-Y254 HydrophobicContact CZ-CD1 4.28Å; F227-Y254 HydrophobicContact CZ-CE1 4.2Å; T250-Y254 WeakPolarHBondContact O-CB 3.34Å; T250-Y254 PolarHBondContact O-N 3.34Å; L251-Y254 PolarHBondContact O-N 3.15Å; L252-Y254 VanDerWaalsContact C-N 3.28Å; L252-Y254 PolarHBondContact O-N 3.44Å; Y254-V256 VanDerWaalsContact C-N 3.29Å; Y254-V256 PolarHBondContact O-N 3.23Å; Y254-V257 PolarHBondContact O-N 2.67Å; Y254-L258 HydrophobicContact CD1-CD1 4.41Å; Y254-L258 HydrophobicContact CD2-CD1 4.32Å; Y254-L258 HydrophobicContact CD2-CD2 4.48Å; Y254-L258 HydrophobicContact CD2-CG 4Å; Y254-L258 HydrophobicContact CE1-CD1 3.89Å; Y254-L258 HydrophobicContact CE2-CD1 3.79Å; Y254-L258 HydrophobicContact CE2-CD2 3.65Å; Y254-L258 HydrophobicContact CE2-CG 3.56Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 2.71Å
255	A	98.8	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-39.8	176.4	0	0	0	0	0	111.8	L82 A86 L251 L252 L258 N259	L82-A255 HydrophobicContact CD1-CB 4.43Å; L82-A255 HydrophobicContact CG-CB 4.3Å; A86-A255 HydrophobicContact CB-CB 3.48Å; A86-A255 VanDerWaalsContact CB-CB 3.48Å; L251-A255 WeakPolarHBondContact O-CB 3.37Å; L251-A255 PolarHBondContact O-N 2.68Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-A255 VanDerWaalsContact O-N 3.16Å; A255-L258 PolarHBondContact O-N 2.62Å; A255-N259 PolarHBondContact O-N 3.18Å; A255-N259 PolarHBondContact O-ND2 3.14Å
256	V	98.7	Very high	98.7	Very high	59 Å²	59	21.8 Å²	21.8	36%	0.358	11%	0.11	S	C	.	.	H	α-helix	trans	-63.4	-48.9	174.9	176.8	0	0	0	0	110.6	Y108 L252 R253 Y254 L258 N259 V260	Y108-V256 HydrophobicContact CD2-CG1 4.13Å; Y108-V256 HydrophobicContact CE2-CG1 3.73Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.32Å; L252-V256 VanDerWaalsContact O-CG2 3.3Å; L252-V256 WeakPolarHBondContact O-CG2 3.49Å; L252-V256 PolarHBondContact O-N 2.96Å; R253-V256 PolarHBondContact O-N 2.62Å; Y254-V256 VanDerWaalsContact C-N 3.29Å; Y254-V256 PolarHBondContact O-N 3.23Å; V256-L258 VanDerWaalsContact C-N 3.28Å; V256-L258 PolarHBondContact O-N 3.36Å; V256-N259 PolarHBondContact O-N 3.37Å; V256-V260 HydrophobicContact CG1-CG1 4.3Å; V256-V260 WeakPolarHBondContact O-CG1 3.04Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 3.19Å
257	V	98.8	Very high	98.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-53	-46.3	175.1	170.1	0	0	0	0	111.2	Y108 I112 I115 A145 R253 Y254 V260 T261	Y108-V257 HydrophobicContact CD2-CG2 3.47Å; Y108-V257 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V257 HydrophobicContact CE2-CG2 4.06Å; Y108-V257 HydrophobicContact CG-CG2 4.32Å; I112-V257 HydrophobicContact CD1-CG1 4.09Å; I115-V257 HydrophobicContact CD1-CG1 4.15Å; A145-V257 HydrophobicContact CB-CG1 4.42Å; R253-V257 WeakPolarHBondContact O-CG2 3.41Å; R253-V257 PolarHBondContact O-N 3.05Å; Y254-V257 PolarHBondContact O-N 2.67Å; V257-V260 VanDerWaalsContact O-CG2 3.28Å; V257-V260 WeakPolarHBondContact O-CG2 3.1Å; V257-T261 PolarHBondContact O-N 3.5Å; V257-T261 PolarHBondContact O-OG1 3.4Å
258	L	98.7	Very high	98.6	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-52.9	178.4	-71.9	-179	0	0	0	112.2	L82 Q147 Y254 A255 V256 V260 T261 W262	L82-L258 HydrophobicContact CD2-CD1 3.64Å; Q147-L258 HydrophobicContact CG-CD2 3.92Å; Y254-L258 HydrophobicContact CD1-CD1 4.41Å; Y254-L258 HydrophobicContact CD2-CD1 4.32Å; Y254-L258 HydrophobicContact CD2-CD2 4.48Å; Y254-L258 HydrophobicContact CD2-CG 4Å; Y254-L258 HydrophobicContact CE1-CD1 3.89Å; Y254-L258 HydrophobicContact CE2-CD1 3.79Å; Y254-L258 HydrophobicContact CE2-CD2 3.65Å; Y254-L258 HydrophobicContact CE2-CG 3.56Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 2.71Å; A255-L258 PolarHBondContact O-N 2.62Å; V256-L258 VanDerWaalsContact C-N 3.28Å; V256-L258 PolarHBondContact O-N 3.36Å; L258-V260 VanDerWaalsContact C-N 3.35Å; L258-V260 PolarHBondContact O-N 3.29Å; L258-T261 PolarHBondContact O-N 3.26Å; L258-W262 HydrophobicContact CB-CD2 4.28Å; L258-W262 HydrophobicContact CB-CE3 4.42Å; L258-W262 HydrophobicContact CB-CH2 3.77Å; L258-W262 HydrophobicContact CB-CZ2 3.64Å; L258-W262 HydrophobicContact CB-CZ3 4.18Å; L258-W262 HydrophobicContact CD1-CH2 3.79Å; L258-W262 HydrophobicContact CD1-CZ2 3.74Å; L258-W262 HydrophobicContact CD2-CZ2 3.98Å; L258-W262 HydrophobicContact CG-CH2 4.32Å; L258-W262 HydrophobicContact CG-CZ2 4Å; L258-W262 WeakPolarHBondContact O-CB 3.43Å; L258-W262 PolarHBondContact O-N 2.93Å
259	N	98.8	Very high	98.6	Very high	48 Å²	48	15.8 Å²	15.8	26%	0.257	9%	0.087	S	C	.	.	H	α-helix	trans	-64.8	-38	-174.5	-79.6	-93.2	0	0	0	111.9	H83 H181 A255 V256 W262 L263	H83-N259 PolarHBondContact NE2-ND2 2.75Å; H181-N259 PolarHBondContact NE2-OD1 3.46Å; H181-N259 VanDerWaalsContact NE2-OD1 3.17Å; A255-N259 PolarHBondContact O-N 3.18Å; A255-N259 PolarHBondContact O-ND2 3.14Å; V256-N259 PolarHBondContact O-N 3.37Å; N259-W262 PolarHBondContact O-N 3.18Å; N259-L263 WeakPolarHBondContact O-CG 3.19Å; N259-L263 PolarHBondContact O-N 3.08Å
260	V	98.4	Very high	98.5	Very high	20 Å²	20	18.9 Å²	18.9	12%	0.121	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-37.9	175.8	-59.4	0	0	0	0	111.9	Y108 I112 V256 V257 L258 L263 T292	Y108-V260 HydrophobicContact CE2-CG2 3.96Å; I112-V260 HydrophobicContact CD1-CG2 3.54Å; V256-V260 HydrophobicContact CG1-CG1 4.3Å; V256-V260 WeakPolarHBondContact O-CG1 3.04Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 3.19Å; V257-V260 VanDerWaalsContact O-CG2 3.28Å; V257-V260 WeakPolarHBondContact O-CG2 3.1Å; L258-V260 VanDerWaalsContact C-N 3.35Å; L258-V260 PolarHBondContact O-N 3.29Å; V260-L263 PolarHBondContact O-N 3.31Å; V260-T292 HydrophobicContact CB-CG2 4.32Å; V260-T292 WeakPolarHBondContact O-CG2 3.33Å
261	T	98.4	Very high	98.5	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-42.2	173.6	-56.3	0	0	0	0	111.3	I115 Q147 V257 L258 L263 V264	I115-T261 WeakPolarHBondContact CD1-OG1 3.35Å; Q147-T261 VanDerWaalsContact NE2-CB 3.34Å; Q147-T261 PolarHBondContact NE2-OG1 3.38Å; Q147-T261 VanDerWaalsContact OE1-CG2 3.23Å; V257-T261 PolarHBondContact O-N 3.5Å; V257-T261 PolarHBondContact O-OG1 3.4Å; L258-T261 PolarHBondContact O-N 3.26Å; T261-L263 VanDerWaalsContact C-N 3.26Å; T261-L263 PolarHBondContact O-N 3.36Å; T261-V264 VanDerWaalsContact O-CB 3.29Å; T261-V264 WeakPolarHBondContact O-CB 3.48Å; T261-V264 WeakPolarHBondContact O-CG2 3.32Å; T261-V264 PolarHBondContact O-N 3.29Å; T261-V264 VanDerWaalsContact O-N 3.07Å
262	W	98.7	Very high	98.4	Very high	10 Å²	10	26.1 Å²	26.1	4%	0.038	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-24.1	178.9	-62.7	-17.3	0	0	0	114	M79 H83 H181 V182 L185 L258 N259 V264 N265 S266	M79-W262 HydrophobicContact CE-CH2 3.39Å; M79-W262 HydrophobicContact CE-CZ2 3.62Å; M79-W262 HydrophobicContact SD-CH2 3.58Å; M79-W262 VanDerWaalsContact SD-CH2 3.58Å; M79-W262 HydrophobicContact SD-CZ2 4.34Å; H83-W262 AromaticContact CE1-CZ3 3.94Å; H83-W262 AromaticContact NE2-CZ3 3.94Å; H181-W262 AromaticContact CD2-CE3 3.89Å; H181-W262 VanDerWaalsContact CE1-CB 3.5Å; H181-W262 WeakPolarHBondContact CE1-CB 3.43Å; H181-W262 WeakPolarHBondContact ND1-CB 3.33Å; H181-W262 PolarHBondContact ND1-O 3.16Å; H181-W262 AromaticContact NE2-CE3 3.76Å; H181-W262 VanDerWaalsContact O-CB 3.23Å; H181-W262 WeakPolarHBondContact O-CB 3.46Å; V182-W262 HydrophobicContact CB-CE3 4Å; V182-W262 HydrophobicContact CB-CH2 4.42Å; V182-W262 HydrophobicContact CB-CZ3 3.95Å; V182-W262 HydrophobicContact CG2-CE3 4.12Å; V182-W262 HydrophobicContact CG2-CH2 3.65Å; V182-W262 HydrophobicContact CG2-CZ2 4.19Å; V182-W262 HydrophobicContact CG2-CZ3 3.59Å; L185-W262 HydrophobicContact CD1-CZ2 3.53Å; L258-W262 HydrophobicContact CB-CD2 4.28Å; L258-W262 HydrophobicContact CB-CE3 4.42Å; L258-W262 HydrophobicContact CB-CH2 3.77Å; L258-W262 HydrophobicContact CB-CZ2 3.64Å; L258-W262 HydrophobicContact CB-CZ3 4.18Å; L258-W262 HydrophobicContact CD1-CH2 3.79Å; L258-W262 HydrophobicContact CD1-CZ2 3.74Å; L258-W262 HydrophobicContact CD2-CZ2 3.98Å; L258-W262 HydrophobicContact CG-CH2 4.32Å; L258-W262 HydrophobicContact CG-CZ2 4Å; L258-W262 WeakPolarHBondContact O-CB 3.43Å; L258-W262 PolarHBondContact O-N 2.93Å; N259-W262 PolarHBondContact O-N 3.18Å; W262-V264 PolarHBondContact O-N 2.99Å; W262-N265 PolarHBondContact O-N 3.38Å; W262-S266 PolarHBondContact O-N 2.57Å; W262-S266 PolarHBondContact O-OG 3.13Å
263	L	98.7	Very high	98.3	Very high	58 Å²	58	32.5 Å²	32.5	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-24.6	171.5	-76.9	172.7	0	0	0	112.5	F177 N259 V260 T261 A267 A268 V288	F177-L263 HydrophobicContact CZ-CD2 4.33Å; N259-L263 WeakPolarHBondContact O-CG 3.19Å; N259-L263 PolarHBondContact O-N 3.08Å; V260-L263 PolarHBondContact O-N 3.31Å; T261-L263 VanDerWaalsContact C-N 3.26Å; T261-L263 PolarHBondContact O-N 3.36Å; L263-A267 HydrophobicContact CB-CB 4.41Å; L263-A267 HydrophobicContact CD2-CB 3.85Å; L263-A267 WeakPolarHBondContact O-CA 3.37Å; L263-A267 WeakPolarHBondContact O-CB 3.37Å; L263-A267 PolarHBondContact O-N 2.87Å; L263-A268 PolarHBondContact O-N 3.43Å; L263-V288 HydrophobicContact CB-CG1 4.42Å; L263-V288 HydrophobicContact CB-CG2 4.12Å
264	V	98.4	Very high	98.3	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.085	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-51	171.8	-175.5	0	0	0	0	109.4	T261 W262 S266 A268 H269 V288 T292 E295 H298	T261-V264 VanDerWaalsContact O-CB 3.29Å; T261-V264 WeakPolarHBondContact O-CB 3.48Å; T261-V264 WeakPolarHBondContact O-CG2 3.32Å; T261-V264 PolarHBondContact O-N 3.29Å; T261-V264 VanDerWaalsContact O-N 3.07Å; W262-V264 PolarHBondContact O-N 2.99Å; V264-S266 VanDerWaalsContact C-N 3.33Å; V264-S266 PolarHBondContact O-N 3.04Å; V264-A268 WeakPolarHBondContact O-CB 3.48Å; V264-A268 PolarHBondContact O-N 3.01Å; V264-H269 PolarHBondContact O-CD2 3.19Å; V264-V288 HydrophobicContact CB-CG1 4.48Å; V264-V288 HydrophobicContact CG2-CG1 3.75Å; V264-T292 HydrophobicContact CG2-CG2 3.66Å; V264-E295 HydrophobicContact CG2-CB 4.17Å; V264-H298 WeakPolarHBondContact CG1-CE1 3.46Å; V264-H298 WeakPolarHBondContact CG1-ND1 3.33Å
265	N	98.2	Very high	98.3	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	17%	0.17	C	C	.	.	H	α-helix	trans	-69	-30.3	-178.2	-58.1	4.2	0	0	0	113.1	H171 S180 W262 H269	H171-N265 HydrophobicContact CB-CB 4.39Å; H171-N265 VanDerWaalsContact CD2-CG 3.48Å; H171-N265 PolarHBondContact CD2-ND2 3.46Å; H171-N265 PolarHBondContact ND1-ND2 3.11Å; S180-N265 WeakPolarHBondContact CB-O 3.36Å; S180-N265 WeakPolarHBondContact O-CB 3.33Å; W262-N265 PolarHBondContact O-N 3.38Å; N265-H269 PolarHBondContact O-CD2 3.49Å
266	S	98.3	Very high	98.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-68.5	-177.9	70	0	0	0	0	113.3	F177 S180 H181 W262 V264 A268 H269 L270	F177-S266 VanDerWaalsContact CE2-OG 3.25Å; F177-S266 WeakPolarHBondContact CE2-OG 3.33Å; F177-S266 WeakPolarHBondContact CZ-OG 3.3Å; S180-S266 WeakPolarHBondContact OG-CA 3.25Å; S180-S266 WeakPolarHBondContact OG-CB 3.32Å; H181-S266 PolarHBondContact ND1-OG 3.13Å; W262-S266 PolarHBondContact O-N 2.57Å; W262-S266 PolarHBondContact O-OG 3.13Å; V264-S266 VanDerWaalsContact C-N 3.33Å; V264-S266 PolarHBondContact O-N 3.04Å; S266-A268 PolarHBondContact O-N 3.06Å; S266-H269 PolarHBondContact O-N 2.9Å; S266-L270 WeakPolarHBondContact O-CG 3.42Å; S266-L270 PolarHBondContact O-N 3.33Å
267	A	98.2	Very high	98.2	Very high	9 Å²	9	32 Å²	32	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-39.4	-175	0	0	0	0	0	111.8	F177 L263 H269 L270 Y271 V288	F177-A267 HydrophobicContact CE2-CB 4.37Å; L263-A267 HydrophobicContact CB-CB 4.41Å; L263-A267 HydrophobicContact CD2-CB 3.85Å; L263-A267 WeakPolarHBondContact O-CA 3.37Å; L263-A267 WeakPolarHBondContact O-CB 3.37Å; L263-A267 PolarHBondContact O-N 2.87Å; A267-H269 PolarHBondContact O-N 3.44Å; A267-L270 PolarHBondContact O-N 3.39Å; A267-L270 VanDerWaalsContact O-N 3.11Å; A267-Y271 HydrophobicContact CB-CD2 4.15Å; A267-Y271 PolarHBondContact O-N 3.27Å; A267-V288 HydrophobicContact CB-CG2 4.03Å
268	A	97.9	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-77.5	3.8	178.8	0	0	0	0	0	114.2	L263 V264 S266 P282 R283 V288 H298	L263-A268 PolarHBondContact O-N 3.43Å; V264-A268 WeakPolarHBondContact O-CB 3.48Å; V264-A268 PolarHBondContact O-N 3.01Å; S266-A268 PolarHBondContact O-N 3.06Å; A268-P282 CarbonylContact O-C 3.47Å; A268-P282 WeakPolarHBondContact O-CA 3.41Å; A268-R283 PolarHBondContact O-N 3.1Å; A268-V288 HydrophobicContact CB-CG1 4.48Å; A268-H298 HydrophobicContact CB-CB 3.67Å
269	H	98.3	Very high	98.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-106.5	-10.1	164	-78	-106.7	0	0	0	113.4	H160 E165 V264 N265 S266 A267 D281 H298	H160-H269 AromaticContact CE1-CE1 3.43Å; H160-H269 PolarHBondContact CE1-CE1 2.65Å; H160-H269 VanDerWaalsContact CE1-CE1 3.43Å; H160-H269 AromaticContact CE1-NE2 3.41Å; H160-H269 PolarHBondContact CE1-NE2 3.35Å; H160-H269 AromaticContact NE2-CE1 3.86Å; H160-H269 AromaticContact NE2-NE2 3.58Å; E165-H269 IonicContact OE1-CE1 2.73Å; E165-H269 PolarHBondContact OE1-CE1 3.19Å; E165-H269 IonicContact OE1-CG 3.87Å; E165-H269 IonicContact OE1-ND1 2.87Å; E165-H269 PolarHBondContact OE1-ND1 3.47Å; V264-H269 PolarHBondContact O-CD2 3.19Å; N265-H269 PolarHBondContact O-CD2 3.49Å; S266-H269 PolarHBondContact O-N 2.9Å; A267-H269 PolarHBondContact O-N 3.44Å; H269-D281 VanDerWaalsContact O-O 3.13Å; H269-H298 AromaticContact CD2-CD2 3.63Å; H269-H298 AromaticContact CD2-NE2 3.74Å; H269-H298 AromaticContact NE2-CD2 3.4Å; H269-H298 PolarHBondContact NE2-CD2 2.64Å; H269-H298 AromaticContact NE2-NE2 3.16Å; H269-H298 PolarHBondContact NE2-NE2 2.84Å; H269-H298 VanDerWaalsContact NE2-NE2 3.16Å
270	L	97.2	Very high	98.1	Very high	65 Å²	65	40.7 Å²	40.7	34%	0.34	20%	0.198	S	C	.	.	H	α-helix	trans	-120.4	-35.5	-171.1	-66.3	173.1	0	0	0	113.5	F177 S266 A267	F177-L270 HydrophobicContact CB-CD1 3.83Å; F177-L270 HydrophobicContact CD2-CD1 3.9Å; F177-L270 HydrophobicContact CG-CD1 4.37Å; S266-L270 WeakPolarHBondContact O-CG 3.42Å; S266-L270 PolarHBondContact O-N 3.33Å; A267-L270 PolarHBondContact O-N 3.39Å; A267-L270 VanDerWaalsContact O-N 3.11Å
271	Y	97.8	Very high	98	Very high	139 Å²	139	42.5 Å²	42.5	55%	0.545	21%	0.207	S	C	.	.	S	Bend	trans	-127.8	118.1	-170.3	-48.6	-68.1	0	0	0	111.2	F177 A267 N285	F177-Y271 AromaticContact CD2-CE2 3.96Å; F177-Y271 HydrophobicContact CD2-CE2 3.96Å; F177-Y271 HydrophobicContact CE2-CE2 4.13Å; A267-Y271 HydrophobicContact CB-CD2 4.15Å; A267-Y271 PolarHBondContact O-N 3.27Å; Y271-N285 PolarHBondContact O-ND2 2.85Å
272	G	97.3	Very high	98	Very high	32 Å²	32	41.8 Å²	41.8	33%	0.33	20%	0.202	S	C	.	.	S	Bend	trans	144.6	-169.6	177.8	0	0	0	0	0	113.1	R283 E284	G272-R283 VanDerWaalsContact C-CD 3.46Å; G272-R283 WeakPolarHBondContact O-CD 3.35Å; G272-R283 PolarHBondContact O-NH1 2.99Å; G272-E284 VanDerWaalsContact CA-O 3.26Å; G272-E284 WeakPolarHBondContact CA-O 3.31Å
273	Y	97.8	Very high	98	Very high	157 Å²	157	43.7 Å²	43.7	62%	0.616	21%	0.209	S	C	*	.	B	Isolated β-bridge	trans	-99.4	164.2	178.9	-65	-76.7	0	0	0	112.2	P275 R283 E284 S355	Y273-P275 VanDerWaalsContact C-CD 3.42Å; Y273-R283 CarbonylContact O-C 3.59Å; Y273-R283 WeakPolarHBondContact O-CA 3.02Å; Y273-E284 PolarHBondContact N-O 2.82Å; Y273-E284 PolarHBondContact O-N 3.02Å; Y273-S355 WeakPolarHBondContact CB-OG 3.49Å
274	R	98.1	Very high	98	Very high	45 Å²	45	42.2 Å²	42.2	17%	0.17	20%	0.201	C	C	.	.			trans	-129	64.5	176.8	-65.1	-175.5	-64.4	-168.5	-0.5	111.7	Y276 K278 I280 D281 P282 R283 N299 D353	R274-Y276 PolarHBondContact O-N 2.82Å; R274-K278 HydrophobicContact CB-CB 4.49Å; R274-K278 PolarHBondContact NH1-O 3.42Å; R274-K278 PolarHBondContact NH2-O 2.98Å; R274-I280 WeakPolarHBondContact CD-O 3.4Å; R274-I280 PolarHBondContact NH1-O 3.43Å; R274-D281 IonicContact NH1-OD1 2.7Å; R274-P282 WeakPolarHBondContact CG-O 3.36Å; R274-R283 VanDerWaalsContact CD-CZ 3.49Å; R274-R283 HydrophobicContact CG-CG 4.05Å; R274-R283 VanDerWaalsContact NE-NH1 3.18Å; R274-R283 VanDerWaalsContact NH2-NH2 3.12Å; R274-N299 VanDerWaalsContact C-OD1 3.28Å; R274-N299 WeakPolarHBondContact CA-OD1 3.28Å; R274-D353 WeakPolarHBondContact CA-OD2 3.37Å; R274-D353 PolarHBondContact N-OD2 3.03Å; R274-D353 WeakPolarHBondContact O-CB 3.27Å; R274-D353 PolarHBondContact O-N 3.2Å; R274-D353 VanDerWaalsContact O-N 3.08Å
275	P	98.3	Very high	97.9	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.052	20%	0.204	C	C	.	.	S	Bend	trans	-64.6	-22.6	-174.9	22.4	-30	0	0	0	113.7	Y273 E284 G352 D353 H356	Y273-P275 VanDerWaalsContact C-CD 3.42Å; P275-E284 HydrophobicContact CG-CG 3.71Å; P275-G352 WeakPolarHBondContact O-CA 3.38Å; P275-D353 WeakPolarHBondContact CA-OD1 3.35Å; P275-H356 HydrophobicContact CB-CB 3.8Å
276	Y	98.3	Very high	97.8	Very high	11 Å²	11	44.5 Å²	44.5	4%	0.043	22%	0.22	C	C	.	.	S	Bend	trans	-100.7	-46	-175.3	-50	-73.6	0	0	0	112.3	R274 E284 N299 Y300 F304 E312 V344 I348 T351 G352	R274-Y276 PolarHBondContact O-N 2.82Å; Y276-E284 HydrophobicContact CE2-CG 4.31Å; Y276-N299 WeakPolarHBondContact CA-OD1 3.39Å; Y276-N299 WeakPolarHBondContact CB-OD1 3.48Å; Y276-N299 HydrophobicContact CD2-CB 4.34Å; Y276-N299 PolarHBondContact N-OD1 3.2Å; Y276-Y300 AromaticContact CD1-CD2 3.98Å; Y276-Y300 HydrophobicContact CD1-CD2 3.98Å; Y276-Y300 VanDerWaalsContact CD2-CA 3.43Å; Y276-Y300 HydrophobicContact CD2-CD2 4.04Å; Y276-Y300 HydrophobicContact CD2-CG 4.35Å; Y276-Y300 AromaticContact CE1-CD2 3.68Å; Y276-Y300 HydrophobicContact CE1-CD2 3.68Å; Y276-Y300 HydrophobicContact CE1-CE2 4.29Å; Y276-Y300 VanDerWaalsContact CE2-CB 3.47Å; Y276-Y300 AromaticContact CE2-CD2 3.73Å; Y276-Y300 HydrophobicContact CE2-CD2 3.73Å; Y276-Y300 HydrophobicContact CE2-CG 4.09Å; Y276-Y300 HydrophobicContact CG-CD2 4.17Å; Y276-Y300 AromaticContact CZ-CD2 3.57Å; Y276-F304 HydrophobicContact CD1-CE2 4.38Å; Y276-E312 HydrophobicContact CE1-CB 4.28Å; Y276-E312 VanDerWaalsContact CE1-OE2 3.24Å; Y276-E312 WeakPolarHBondContact CE1-OE2 3.43Å; Y276-E312 WeakPolarHBondContact OH-CB 3.18Å; Y276-E312 PolarHBondContact OH-OE2 2.74Å; Y276-V344 HydrophobicContact CD1-CG1 4.15Å; Y276-V344 HydrophobicContact CE1-CG1 3.89Å; Y276-I348 HydrophobicContact CD1-CD1 4Å; Y276-I348 HydrophobicContact CD1-CG1 3.63Å; Y276-I348 HydrophobicContact CE1-CD1 3.9Å; Y276-I348 HydrophobicContact CE1-CG1 4.05Å; Y276-T351 CarbonylContact O-C 3.45Å; Y276-T351 PolarHBondContact O-OG1 3.4Å; Y276-G352 PolarHBondContact O-N 3.32Å
277	D	98.2	Very high	97.8	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.07	26%	0.255	C	S	.	.			trans	-147	108.8	178	-160.2	-25.6	0	0	0	112.5	N279 I280 N299 R347 T351	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 3.41Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.43Å; D277-N279 PolarHBondContact OD1-N 3.12Å; D277-N279 PolarHBondContact OD1-ND2 2.97Å; D277-I280 HydrophobicContact CB-CD1 4.15Å; D277-I280 HydrophobicContact CB-CG1 4.06Å; D277-I280 WeakPolarHBondContact O-CG1 3.32Å; D277-N299 PolarHBondContact N-OD1 2.84Å; D277-N299 PolarHBondContact O-ND2 2.89Å; D277-R347 IonicContact OD2-CZ 3.26Å; D277-R347 IonicContact OD2-NE 2.75Å; D277-R347 PolarHBondContact OD2-NE 3.38Å; D277-R347 IonicContact OD2-NH2 3.36Å; D277-R347 PolarHBondContact OD2-NH2 2.94Å; D277-T351 WeakPolarHBondContact CA-O 3.31Å; D277-T351 WeakPolarHBondContact OD1-CB 3.35Å
278	K	98	Very high	97.8	Very high	104 Å²	104	50.9 Å²	50.9	45%	0.452	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.6	178.6	76.4	-169.3	174.3	-173.8	0	114.1	R274 T351 D353	R274-K278 HydrophobicContact CB-CB 4.49Å; R274-K278 PolarHBondContact NH1-O 3.42Å; R274-K278 PolarHBondContact NH2-O 2.98Å; K278-T351 WeakPolarHBondContact CG-O 3.28Å; K278-T351 PolarHBondContact N-O 3.4Å; K278-D353 HydrophobicContact CB-CB 3.93Å
279	N	97.4	Very high	97.7	Very high	114 Å²	114	50.9 Å²	50.9	61%	0.61	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.8	-177	-48.8	-62.2	0	0	0	112.8	D277	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 3.41Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.43Å; D277-N279 PolarHBondContact OD1-N 3.12Å; D277-N279 PolarHBondContact OD1-ND2 2.97Å
280	I	97.5	Very high	97.7	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.097	28%	0.282	C	S	.	.	S	Bend	trans	-111.9	159	172.5	64.8	174.6	0	0	0	109.7	R274 D277 P282 H302	R274-I280 WeakPolarHBondContact CD-O 3.4Å; R274-I280 PolarHBondContact NH1-O 3.43Å; D277-I280 HydrophobicContact CB-CD1 4.15Å; D277-I280 HydrophobicContact CB-CG1 4.06Å; D277-I280 WeakPolarHBondContact O-CG1 3.32Å; I280-P282 HydrophobicContact CD1-CB 4.38Å; I280-P282 HydrophobicContact CD1-CG 4.28Å; I280-H302 HydrophobicContact CD1-CB 3.66Å
281	D	97.4	Very high	97.6	Very high	57 Å²	57	54.4 Å²	54.4	31%	0.305	28%	0.275	S	S	.	.	S	Bend	trans	-81.7	-28.7	-179.7	-75.7	-13.4	0	0	0	116.3	E165 H269 R274 R283	E165-D281 HydrophobicContact CG-CB 3.89Å; E165-D281 VanDerWaalsContact CG-OD2 3.3Å; E165-D281 WeakPolarHBondContact CG-OD2 3.49Å; H269-D281 VanDerWaalsContact O-O 3.13Å; R274-D281 IonicContact NH1-OD1 2.7Å; D281-R283 WeakPolarHBondContact O-CG 3.09Å
282	P	98.4	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.			trans	-50	139.7	173.6	-30.2	34.4	0	0	0	114.1	A268 R274 I280 H298 N299 H302	A268-P282 CarbonylContact O-C 3.47Å; A268-P282 WeakPolarHBondContact O-CA 3.41Å; R274-P282 WeakPolarHBondContact CG-O 3.36Å; I280-P282 HydrophobicContact CD1-CB 4.38Å; I280-P282 HydrophobicContact CD1-CG 4.28Å; P282-H298 HydrophobicContact CB-CB 4.35Å; P282-H298 WeakPolarHBondContact CB-O 3.45Å; P282-N299 VanDerWaalsContact O-CB 3.31Å; P282-N299 WeakPolarHBondContact O-CB 3.03Å; P282-N299 PolarHBondContact O-ND2 3.4Å; P282-H302 HydrophobicContact CB-CB 3.97Å; P282-H302 HydrophobicContact CG-CB 3.76Å
283	R	98.5	Very high	97.6	Very high	50 Å²	50	47.9 Å²	47.9	19%	0.189	24%	0.243	C	C	.	.			trans	-136.7	148.6	-167	-60	-119.3	175.1	-155.3	7.4	112.3	A268 G272 Y273 R274 D281 H298	A268-R283 PolarHBondContact O-N 3.1Å; G272-R283 VanDerWaalsContact C-CD 3.46Å; G272-R283 WeakPolarHBondContact O-CD 3.35Å; G272-R283 PolarHBondContact O-NH1 2.99Å; Y273-R283 CarbonylContact O-C 3.59Å; Y273-R283 WeakPolarHBondContact O-CA 3.02Å; R274-R283 VanDerWaalsContact CD-CZ 3.49Å; R274-R283 HydrophobicContact CG-CG 4.05Å; R274-R283 VanDerWaalsContact NE-NH1 3.18Å; R274-R283 VanDerWaalsContact NH2-NH2 3.12Å; D281-R283 WeakPolarHBondContact O-CG 3.09Å; R283-H298 WeakPolarHBondContact O-CB 3.49Å; R283-H298 PolarHBondContact O-N 3.23Å
284	E	98.3	Very high	97.6	Very high	27 Å²	27	40.4 Å²	40.4	13%	0.126	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-76.6	121.4	171.5	-55.9	-63	96.6	0	0	110.3	G272 Y273 P275 Y276 F297 H298 N299 Y300	G272-E284 VanDerWaalsContact CA-O 3.26Å; G272-E284 WeakPolarHBondContact CA-O 3.31Å; Y273-E284 PolarHBondContact N-O 2.82Å; Y273-E284 PolarHBondContact O-N 3.02Å; P275-E284 HydrophobicContact CG-CG 3.71Å; Y276-E284 HydrophobicContact CE2-CG 4.31Å; E284-F297 WeakPolarHBondContact OE1-CA 3.4Å; E284-F297 WeakPolarHBondContact OE2-CA 3.49Å; E284-F297 WeakPolarHBondContact OE2-CB 3.37Å; E284-F297 VanDerWaalsContact OE2-CD1 3.27Å; E284-F297 WeakPolarHBondContact OE2-CD1 3.38Å; E284-H298 PolarHBondContact OE1-N 3.47Å; E284-H298 VanDerWaalsContact OE1-N 3.12Å; E284-N299 HydrophobicContact CG-CB 4.01Å; E284-N299 WeakPolarHBondContact OE1-CA 3.48Å; E284-N299 VanDerWaalsContact OE1-CB 3.25Å; E284-N299 WeakPolarHBondContact OE1-CB 3.49Å; E284-N299 PolarHBondContact OE1-N 3.49Å; E284-Y300 PolarHBondContact OE1-N 3.41Å
285	N	97.6	Very high	97.6	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.144	21%	0.209	C	C	.	.			trans	-138.6	103.2	-179.9	-166.8	-45.4	0	0	0	111.8	Y271 L287 V288 S289 G296	Y271-N285 PolarHBondContact O-ND2 2.85Å; N285-L287 VanDerWaalsContact C-N 3.3Å; N285-L287 PolarHBondContact O-N 2.71Å; N285-L287 PolarHBondContact OD1-N 2.84Å; N285-V288 HydrophobicContact CB-CB 4.09Å; N285-V288 HydrophobicContact CB-CG2 3.86Å; N285-V288 WeakPolarHBondContact O-CB 3.45Å; N285-V288 PolarHBondContact O-N 3.34Å; N285-V288 VanDerWaalsContact O-N 3.15Å; N285-V288 PolarHBondContact OD1-N 3.04Å; N285-S289 PolarHBondContact O-N 3.06Å; N285-G296 PolarHBondContact N-O 3.32Å
286	A	96	Very high	97.6	Very high	53 Å²	53	38.7 Å²	38.7	44%	0.438	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-31.5	-176.4	0	0	0	0	0	113.9	S289 L290 I317	A286-S289 PolarHBondContact O-N 3.28Å; A286-L290 PolarHBondContact O-N 3.4Å; A286-I317 HydrophobicContact CB-CD1 4.09Å
287	L	96.9	Very high	97.6	Very high	140 Å²	140	39.2 Å²	39.2	73%	0.733	21%	0.209	S	C	*	.	H	α-helix	trans	-69.6	-37.6	177	-65.2	178.5	0	0	0	111.2	N285 L290 G291	N285-L287 VanDerWaalsContact C-N 3.3Å; N285-L287 PolarHBondContact O-N 2.71Å; N285-L287 PolarHBondContact OD1-N 2.84Å; L287-L290 PolarHBondContact O-N 2.84Å; L287-G291 PolarHBondContact O-N 2.95Å
288	V	97.9	Very high	97.6	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-43.8	172.2	179.4	0	0	0	0	110	L263 V264 A267 A268 N285 L290 G291 T292	L263-V288 HydrophobicContact CB-CG1 4.42Å; L263-V288 HydrophobicContact CB-CG2 4.12Å; V264-V288 HydrophobicContact CB-CG1 4.48Å; V264-V288 HydrophobicContact CG2-CG1 3.75Å; A267-V288 HydrophobicContact CB-CG2 4.03Å; A268-V288 HydrophobicContact CB-CG1 4.48Å; N285-V288 HydrophobicContact CB-CB 4.09Å; N285-V288 HydrophobicContact CB-CG2 3.86Å; N285-V288 WeakPolarHBondContact O-CB 3.45Å; N285-V288 PolarHBondContact O-N 3.34Å; N285-V288 VanDerWaalsContact O-N 3.15Å; N285-V288 PolarHBondContact OD1-N 3.04Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.3Å; V288-G291 PolarHBondContact O-N 3.2Å; V288-T292 HydrophobicContact CG1-CG2 4.14Å; V288-T292 WeakPolarHBondContact O-CB 2.99Å; V288-T292 WeakPolarHBondContact O-CG2 3.27Å; V288-T292 PolarHBondContact O-N 2.65Å; V288-T292 PolarHBondContact O-OG1 2.94Å
289	S	97.3	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-39.6	175.6	-63.9	0	0	0	0	112.4	N285 A286 L293 G294 G296 F297	N285-S289 PolarHBondContact O-N 3.06Å; A286-S289 PolarHBondContact O-N 3.28Å; S289-L293 CarbonylContact O-C 3.53Å; S289-L293 WeakPolarHBondContact O-CA 3.13Å; S289-L293 PolarHBondContact O-N 3.32Å; S289-G294 PolarHBondContact O-N 3.29Å; S289-G296 VanDerWaalsContact OG-C 3.31Å; S289-G296 WeakPolarHBondContact OG-CA 3.32Å; S289-G296 PolarHBondContact OG-N 3.35Å; S289-G296 VanDerWaalsContact OG-N 3.1Å; S289-F297 WeakPolarHBondContact OG-CD2 3.46Å; S289-F297 WeakPolarHBondContact OG-CE2 3.42Å; S289-F297 PolarHBondContact OG-N 2.96Å
290	L	96.9	Very high	97.6	Very high	123 Å²	123	28.5 Å²	28.5	64%	0.644	16%	0.156	S	C	*	.	H	α-helix	trans	-63.1	-44.8	177.6	-177.9	64.7	0	0	0	112.2	A286 L287 V288 I317	A286-L290 PolarHBondContact O-N 3.4Å; L287-L290 PolarHBondContact O-N 2.84Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.3Å; L290-I317 HydrophobicContact CB-CG2 4.4Å
291	G	96.5	Very high	97.7	Very high	19 Å²	19	27.8 Å²	27.8	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-47.4	176.5	0	0	0	0	0	111.9	Y108 L287 V288 L293	Y108-G291 PolarHBondContact OH-O 3.38Å; L287-G291 PolarHBondContact O-N 2.95Å; V288-G291 PolarHBondContact O-N 3.2Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.83Å
292	T	97.1	Very high	97.8	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-86.3	5.1	-173.4	58.7	0	0	0	0	114.7	I112 V260 V264 V288 G294 E295	I112-T292 WeakPolarHBondContact CG2-O 3.26Å; V260-T292 HydrophobicContact CB-CG2 4.32Å; V260-T292 WeakPolarHBondContact O-CG2 3.33Å; V264-T292 HydrophobicContact CG2-CG2 3.66Å; V288-T292 HydrophobicContact CG1-CG2 4.14Å; V288-T292 WeakPolarHBondContact O-CB 2.99Å; V288-T292 WeakPolarHBondContact O-CG2 3.27Å; V288-T292 PolarHBondContact O-N 2.65Å; V288-T292 PolarHBondContact O-OG1 2.94Å; T292-G294 PolarHBondContact O-N 3.21Å; T292-E295 WeakPolarHBondContact OG1-CB 3.33Å; T292-E295 PolarHBondContact OG1-N 2.59Å
293	L	97.5	Very high	97.7	Very high	31 Å²	31	26 Å²	26	16%	0.162	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	19.2	-178.3	-55.7	-175.1	0	0	0	114.6	A109 I112 S289 G291 N318 F319 T320	A109-L293 HydrophobicContact CB-CD1 4.3Å; I112-L293 HydrophobicContact CB-CD1 4.06Å; I112-L293 HydrophobicContact CB-CG 4.44Å; I112-L293 HydrophobicContact CG2-CB 3.91Å; I112-L293 HydrophobicContact CG2-CD1 3.82Å; I112-L293 HydrophobicContact CG2-CG 3.78Å; S289-L293 CarbonylContact O-C 3.53Å; S289-L293 WeakPolarHBondContact O-CA 3.13Å; S289-L293 PolarHBondContact O-N 3.32Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.83Å; L293-N318 CarbonylContact O-C 3.55Å; L293-F319 HydrophobicContact CB-CB 4.16Å; L293-F319 HydrophobicContact CD1-CD1 4.06Å; L293-F319 PolarHBondContact O-N 2.99Å; L293-T320 PolarHBondContact O-N 3.15Å; L293-T320 PolarHBondContact O-OG1 3.06Å
294	G	97.4	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	146.9	-3.9	173	0	0	0	0	0	117.5	S289 T292 I317	S289-G294 PolarHBondContact O-N 3.29Å; T292-G294 PolarHBondContact O-N 3.21Å; G294-I317 WeakPolarHBondContact CA-O 3.4Å
295	E	98.3	Very high	97.7	Very high	17 Å²	17	22.6 Å²	22.6	8%	0.079	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.6	-166.2	-45.9	-60.9	78	0	0	114.1	G116 H120 R121 V264 T292	G116-E295 WeakPolarHBondContact CA-OE2 3.46Å; H120-E295 IonicContact CE1-OE2 2.65Å; H120-E295 PolarHBondContact CE1-OE2 2.76Å; H120-E295 IonicContact CG-OE2 3.16Å; H120-E295 IonicContact ND1-OE2 3.7Å; H120-E295 PolarHBondContact ND1-OE2 3.12Å; R121-E295 IonicContact CZ-OE1 3.67Å; R121-E295 VanDerWaalsContact CZ-OE1 3.31Å; R121-E295 IonicContact NE-OE1 2.85Å; R121-E295 PolarHBondContact NE-OE1 3.42Å; R121-E295 IonicContact NE-OE2 3.93Å; R121-E295 IonicContact NH2-OE1 2.78Å; R121-E295 PolarHBondContact NH2-OE1 2.87Å; V264-E295 HydrophobicContact CG2-CB 4.17Å; T292-E295 WeakPolarHBondContact OG1-CB 3.33Å; T292-E295 PolarHBondContact OG1-N 2.59Å
296	G	97.7	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.1	-179	0	0	0	0	0	115.1	N285 S289 H298	N285-G296 PolarHBondContact N-O 3.32Å; S289-G296 VanDerWaalsContact OG-C 3.31Å; S289-G296 WeakPolarHBondContact OG-CA 3.32Å; S289-G296 PolarHBondContact OG-N 3.35Å; S289-G296 VanDerWaalsContact OG-N 3.1Å; G296-H298 PolarHBondContact O-N 3Å
297	F	98.2	Very high	97.8	Very high	22 Å²	22	20.4 Å²	20.4	10%	0.096	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-81.1	57.4	172.8	-58.1	-70.4	0	0	0	110.6	E284 S289 Y300 H301 S311 H316 I317 N318	E284-F297 WeakPolarHBondContact OE1-CA 3.4Å; E284-F297 WeakPolarHBondContact OE2-CA 3.49Å; E284-F297 WeakPolarHBondContact OE2-CB 3.37Å; E284-F297 VanDerWaalsContact OE2-CD1 3.27Å; E284-F297 WeakPolarHBondContact OE2-CD1 3.38Å; S289-F297 WeakPolarHBondContact OG-CD2 3.46Å; S289-F297 WeakPolarHBondContact OG-CE2 3.42Å; S289-F297 PolarHBondContact OG-N 2.96Å; F297-Y300 PolarHBondContact O-N 3.5Å; F297-H301 WeakPolarHBondContact O-CB 3.49Å; F297-H301 PolarHBondContact O-N 3.26Å; F297-S311 VanDerWaalsContact CD2-CB 3.48Å; F297-H316 WeakPolarHBondContact CE2-O 3.31Å; F297-H316 AromaticContact CZ-CD2 3.7Å; F297-H316 VanDerWaalsContact CZ-O 3.31Å; F297-H316 WeakPolarHBondContact CZ-O 3.37Å; F297-I317 HydrophobicContact CE2-CB 4.28Å; F297-I317 HydrophobicContact CZ-CB 4.02Å; F297-N318 HydrophobicContact CE2-CB 4.48Å
298	H	98.3	Very high	97.9	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-78.6	-27.4	-162.4	-146.1	53.2	0	0	0	113.6	V264 A268 H269 P282 R283 E284 G296 H301 H302	V264-H298 WeakPolarHBondContact CG1-CE1 3.46Å; V264-H298 WeakPolarHBondContact CG1-ND1 3.33Å; A268-H298 HydrophobicContact CB-CB 3.67Å; H269-H298 AromaticContact CD2-CD2 3.63Å; H269-H298 AromaticContact CD2-NE2 3.74Å; H269-H298 AromaticContact NE2-CD2 3.4Å; H269-H298 PolarHBondContact NE2-CD2 2.64Å; H269-H298 AromaticContact NE2-NE2 3.16Å; H269-H298 PolarHBondContact NE2-NE2 2.84Å; H269-H298 VanDerWaalsContact NE2-NE2 3.16Å; P282-H298 HydrophobicContact CB-CB 4.35Å; P282-H298 WeakPolarHBondContact CB-O 3.45Å; R283-H298 WeakPolarHBondContact O-CB 3.49Å; R283-H298 PolarHBondContact O-N 3.23Å; E284-H298 PolarHBondContact OE1-N 3.47Å; E284-H298 VanDerWaalsContact OE1-N 3.12Å; G296-H298 PolarHBondContact O-N 3Å; H298-H301 AromaticContact ND1-CD2 3.96Å; H298-H301 PolarHBondContact O-N 3.44Å; H298-H302 AromaticContact CD2-CD2 3.75Å; H298-H302 AromaticContact CD2-NE2 3.69Å; H298-H302 AromaticContact CE1-CD2 3.75Å; H298-H302 AromaticContact CE1-NE2 3.46Å; H298-H302 PolarHBondContact CE1-NE2 3.01Å; H298-H302 AromaticContact NE2-CD2 3.61Å; H298-H302 AromaticContact NE2-NE2 3.13Å; H298-H302 PolarHBondContact NE2-NE2 2.84Å; H298-H302 VanDerWaalsContact NE2-NE2 3.13Å; H298-H302 PolarHBondContact O-CD2 3.27Å; H298-H302 PolarHBondContact O-N 3.27Å
299	N	98.6	Very high	98	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.2	-42.7	172.8	-170.6	-114.9	0	0	0	110.8	R274 Y276 D277 P282 E284 H301 A303	R274-N299 VanDerWaalsContact C-OD1 3.28Å; R274-N299 WeakPolarHBondContact CA-OD1 3.28Å; Y276-N299 WeakPolarHBondContact CA-OD1 3.39Å; Y276-N299 WeakPolarHBondContact CB-OD1 3.48Å; Y276-N299 HydrophobicContact CD2-CB 4.34Å; Y276-N299 PolarHBondContact N-OD1 3.2Å; D277-N299 PolarHBondContact N-OD1 2.84Å; D277-N299 PolarHBondContact O-ND2 2.89Å; P282-N299 VanDerWaalsContact O-CB 3.31Å; P282-N299 WeakPolarHBondContact O-CB 3.03Å; P282-N299 PolarHBondContact O-ND2 3.4Å; E284-N299 HydrophobicContact CG-CB 4.01Å; E284-N299 WeakPolarHBondContact OE1-CA 3.48Å; E284-N299 VanDerWaalsContact OE1-CB 3.25Å; E284-N299 WeakPolarHBondContact OE1-CB 3.49Å; E284-N299 PolarHBondContact OE1-N 3.49Å; N299-H301 VanDerWaalsContact C-N 3.35Å; N299-A303 VanDerWaalsContact O-CB 3.29Å; N299-A303 WeakPolarHBondContact O-CB 3.26Å; N299-A303 PolarHBondContact O-N 3.38Å; N299-A303 VanDerWaalsContact O-N 3.11Å
300	Y	98.6	Very high	98	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-49.2	173	-175.2	-89.8	0	0	0	110.4	Y276 E284 F297 H302 A303 F304 D307 S311 E312 R338 V344	Y276-Y300 AromaticContact CD1-CD2 3.98Å; Y276-Y300 HydrophobicContact CD1-CD2 3.98Å; Y276-Y300 VanDerWaalsContact CD2-CA 3.43Å; Y276-Y300 HydrophobicContact CD2-CD2 4.04Å; Y276-Y300 HydrophobicContact CD2-CG 4.35Å; Y276-Y300 AromaticContact CE1-CD2 3.68Å; Y276-Y300 HydrophobicContact CE1-CD2 3.68Å; Y276-Y300 HydrophobicContact CE1-CE2 4.29Å; Y276-Y300 VanDerWaalsContact CE2-CB 3.47Å; Y276-Y300 AromaticContact CE2-CD2 3.73Å; Y276-Y300 HydrophobicContact CE2-CD2 3.73Å; Y276-Y300 HydrophobicContact CE2-CG 4.09Å; Y276-Y300 HydrophobicContact CG-CD2 4.17Å; Y276-Y300 AromaticContact CZ-CD2 3.57Å; E284-Y300 PolarHBondContact OE1-N 3.41Å; F297-Y300 PolarHBondContact O-N 3.5Å; Y300-H302 PolarHBondContact O-N 3.33Å; Y300-A303 PolarHBondContact O-N 3.06Å; Y300-A303 VanDerWaalsContact O-N 3.15Å; Y300-F304 HydrophobicContact CD1-CD2 4.29Å; Y300-F304 AromaticContact CD2-CD2 3.74Å; Y300-F304 HydrophobicContact CD2-CD2 3.74Å; Y300-F304 HydrophobicContact CD2-CE2 4.05Å; Y300-F304 HydrophobicContact CE1-CB 4.18Å; Y300-F304 HydrophobicContact CE1-CD2 4.09Å; Y300-F304 AromaticContact CE2-CD2 3.5Å; Y300-F304 HydrophobicContact CE2-CD2 3.5Å; Y300-F304 AromaticContact CE2-CE2 3.81Å; Y300-F304 HydrophobicContact CE2-CE2 3.81Å; Y300-F304 HydrophobicContact CG-CD2 4.14Å; Y300-F304 AromaticContact CZ-CD2 3.69Å; Y300-F304 PolarHBondContact O-N 3.27Å; Y300-D307 HydrophobicContact CE1-CB 3.87Å; Y300-D307 PolarHBondContact OH-OD2 3.24Å; Y300-D307 VanDerWaalsContact OH-OD2 3.11Å; Y300-S311 VanDerWaalsContact CD1-CA 3.45Å; Y300-S311 VanDerWaalsContact CD1-N 3.3Å; Y300-S311 VanDerWaalsContact CE1-C 3.48Å; Y300-S311 WeakPolarHBondContact CE1-O 3.48Å; Y300-E312 HydrophobicContact CD2-CB 3.93Å; Y300-E312 HydrophobicContact CE2-CB 3.79Å; Y300-R338 PolarHBondContact OH-NH1 2.65Å; Y300-V344 HydrophobicContact CE2-CG1 4.3Å; Y300-V344 HydrophobicContact CE2-CG2 3.95Å
301	H	98.6	Very high	98.1	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-60.3	-46.2	-175.2	177.3	54.1	0	0	0	112.8	H120 H125 H157 H161 F297 H298 N299 A303 F304 P305 A310	H120-H301 AromaticContact CE1-CD2 3.97Å; H120-H301 AromaticContact CE1-CE1 3.53Å; H120-H301 AromaticContact CE1-NE2 3.44Å; H120-H301 PolarHBondContact CE1-NE2 2.92Å; H120-H301 AromaticContact NE2-CD2 3.78Å; H120-H301 AromaticContact NE2-CE1 3.19Å; H120-H301 PolarHBondContact NE2-CE1 3.24Å; H120-H301 AromaticContact NE2-NE2 2.9Å; H120-H301 PolarHBondContact NE2-NE2 2.88Å; H125-H301 AromaticContact CD2-CE1 3.7Å; H125-H301 AromaticContact CE1-CE1 3.76Å; H125-H301 AromaticContact CE1-NE2 3.87Å; H125-H301 AromaticContact NE2-CE1 3.29Å; H125-H301 PolarHBondContact NE2-CE1 3.47Å; H125-H301 VanDerWaalsContact NE2-CE1 3.29Å; H125-H301 AromaticContact NE2-NE2 3.36Å; H125-H301 PolarHBondContact NE2-NE2 3.08Å; H157-H301 AromaticContact NE2-NE2 3.95Å; H161-H301 AromaticContact CE1-CD2 3.52Å; H161-H301 AromaticContact CE1-CE1 3.81Å; H161-H301 AromaticContact CE1-NE2 3.06Å; H161-H301 PolarHBondContact CE1-NE2 2.68Å; H161-H301 AromaticContact NE2-CD2 3.72Å; H161-H301 AromaticContact NE2-CE1 3.96Å; H161-H301 AromaticContact NE2-NE2 3.01Å; H161-H301 PolarHBondContact NE2-NE2 3.35Å; F297-H301 WeakPolarHBondContact O-CB 3.49Å; F297-H301 PolarHBondContact O-N 3.26Å; H298-H301 AromaticContact ND1-CD2 3.96Å; H298-H301 PolarHBondContact O-N 3.44Å; N299-H301 VanDerWaalsContact C-N 3.35Å; H301-A303 VanDerWaalsContact C-N 3.34Å; H301-A303 PolarHBondContact O-N 2.93Å; H301-F304 CarbonylContact O-C 3.11Å; H301-F304 PolarHBondContact O-N 2.79Å; H301-P305 WeakPolarHBondContact O-CA 3.49Å; H301-A310 HydrophobicContact CB-CB 4.31Å
302	H	98.5	Very high	98.1	Very high	15 Å²	15	9.4 Å²	9.4	7%	0.069	5%	0.045	C	C	.	.	H	α-helix	trans	-70.2	-28.9	175.4	-83.2	-110.3	0	0	0	113.5	H160 H161 I280 P282 H298 Y300 F304	H160-H302 AromaticContact CD2-CE1 3.83Å; H160-H302 AromaticContact CE1-CE1 3.94Å; H160-H302 AromaticContact NE2-CE1 3.26Å; H160-H302 PolarHBondContact NE2-CE1 3.25Å; H160-H302 VanDerWaalsContact NE2-CE1 3.26Å; H160-H302 AromaticContact NE2-NE2 3.35Å; H160-H302 PolarHBondContact NE2-NE2 3.4Å; H161-H302 AromaticContact CE1-CD2 3.88Å; H161-H302 AromaticContact CE1-CE1 3.92Å; H161-H302 AromaticContact CE1-CG 3.97Å; H161-H302 AromaticContact CE1-ND1 4Å; H161-H302 AromaticContact CE1-NE2 3.82Å; H161-H302 AromaticContact ND1-ND1 3.92Å; I280-H302 HydrophobicContact CD1-CB 3.66Å; P282-H302 HydrophobicContact CB-CB 3.97Å; P282-H302 HydrophobicContact CG-CB 3.76Å; H298-H302 AromaticContact CD2-CD2 3.75Å; H298-H302 AromaticContact CD2-NE2 3.69Å; H298-H302 AromaticContact CE1-CD2 3.75Å; H298-H302 AromaticContact CE1-NE2 3.46Å; H298-H302 PolarHBondContact CE1-NE2 3.01Å; H298-H302 AromaticContact NE2-CD2 3.61Å; H298-H302 AromaticContact NE2-NE2 3.13Å; H298-H302 PolarHBondContact NE2-NE2 2.84Å; H298-H302 VanDerWaalsContact NE2-NE2 3.13Å; H298-H302 PolarHBondContact O-CD2 3.27Å; H298-H302 PolarHBondContact O-N 3.27Å; Y300-H302 PolarHBondContact O-N 3.33Å; H302-F304 VanDerWaalsContact C-N 3.3Å
303	A	97.8	Very high	98.1	Very high	5 Å²	5	14.4 Å²	14.4	4%	0.041	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-30.3	173.4	0	0	0	0	0	112.4	N299 Y300 H301 R347	N299-A303 VanDerWaalsContact O-CB 3.29Å; N299-A303 WeakPolarHBondContact O-CB 3.26Å; N299-A303 PolarHBondContact O-N 3.38Å; N299-A303 VanDerWaalsContact O-N 3.11Å; Y300-A303 PolarHBondContact O-N 3.06Å; Y300-A303 VanDerWaalsContact O-N 3.15Å; H301-A303 VanDerWaalsContact C-N 3.34Å; H301-A303 PolarHBondContact O-N 2.93Å; A303-R347 PolarHBondContact O-NH1 3.01Å
304	F	98.1	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.			trans	-140.6	66.2	-174.1	-54.2	-64.5	0	0	0	112.3	Y276 Y300 H301 H302 Y306 D307 V339 T343 V344 R347	Y276-F304 HydrophobicContact CD1-CE2 4.38Å; Y300-F304 HydrophobicContact CD1-CD2 4.29Å; Y300-F304 AromaticContact CD2-CD2 3.74Å; Y300-F304 HydrophobicContact CD2-CD2 3.74Å; Y300-F304 HydrophobicContact CD2-CE2 4.05Å; Y300-F304 HydrophobicContact CE1-CB 4.18Å; Y300-F304 HydrophobicContact CE1-CD2 4.09Å; Y300-F304 AromaticContact CE2-CD2 3.5Å; Y300-F304 HydrophobicContact CE2-CD2 3.5Å; Y300-F304 AromaticContact CE2-CE2 3.81Å; Y300-F304 HydrophobicContact CE2-CE2 3.81Å; Y300-F304 HydrophobicContact CG-CD2 4.14Å; Y300-F304 AromaticContact CZ-CD2 3.69Å; Y300-F304 PolarHBondContact O-N 3.27Å; H301-F304 CarbonylContact O-C 3.11Å; H301-F304 PolarHBondContact O-N 2.79Å; H302-F304 VanDerWaalsContact C-N 3.3Å; F304-Y306 HydrophobicContact CD1-CE2 4.34Å; F304-Y306 PolarHBondContact O-N 2.89Å; F304-D307 HydrophobicContact CB-CB 4.38Å; F304-D307 WeakPolarHBondContact O-CB 3.2Å; F304-D307 PolarHBondContact O-N 2.88Å; F304-V339 HydrophobicContact CB-CG2 3.82Å; F304-V339 HydrophobicContact CD1-CG1 4.01Å; F304-V339 HydrophobicContact CD1-CG2 3.95Å; F304-V339 HydrophobicContact CE1-CG1 4.02Å; F304-V339 HydrophobicContact CG-CG1 4.47Å; F304-V339 HydrophobicContact CG-CG2 3.94Å; F304-V339 HydrophobicContact CZ-CG1 4.48Å; F304-T343 HydrophobicContact CE1-CG2 4.11Å; F304-V344 HydrophobicContact CE2-CG2 4.15Å; F304-V344 HydrophobicContact CZ-CG2 4.28Å; F304-R347 HydrophobicContact CE1-CB 4.32Å; F304-R347 HydrophobicContact CE1-CG 4.36Å; F304-R347 HydrophobicContact CE2-CG 4.42Å; F304-R347 HydrophobicContact CZ-CB 3.61Å; F304-R347 HydrophobicContact CZ-CG 3.73Å
305	P	98.2	Very high	97.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.032	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.9	-173.1	28.7	-37.2	0	0	0	113.3	R47 I54 H125 H301	R47-P305 PolarHBondContact NH1-O 3.49Å; I54-P305 HydrophobicContact CD1-CG 4.02Å; H125-P305 WeakPolarHBondContact CB-O 3.34Å; H125-P305 PolarHBondContact ND1-O 2.99Å; H301-P305 WeakPolarHBondContact O-CA 3.49Å
306	Y	98.1	Very high	97.7	Very high	31 Å²	31	26 Å²	26	12%	0.122	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0	177	41.3	-92.7	0	0	0	114.8	I46 R47 I54 T127 F304 K337 V339	I46-Y306 HydrophobicContact CD1-CD2 3.79Å; I46-Y306 HydrophobicContact CD1-CE2 4.28Å; I46-Y306 HydrophobicContact CG1-CD2 3.71Å; I46-Y306 HydrophobicContact CG1-CE2 4.23Å; R47-Y306 VanDerWaalsContact NH1-CA 3.3Å; I54-Y306 HydrophobicContact CD1-CD1 3.93Å; I54-Y306 HydrophobicContact CD1-CE1 4.15Å; T127-Y306 WeakPolarHBondContact CG2-O 3.28Å; F304-Y306 HydrophobicContact CD1-CE2 4.34Å; F304-Y306 PolarHBondContact O-N 2.89Å; Y306-K337 WeakPolarHBondContact O-CB 3.36Å; Y306-V339 HydrophobicContact CD2-CG2 3.94Å; Y306-V339 HydrophobicContact CE2-CG2 3.59Å
307	D	98.5	Very high	97.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	13%	0.133	C	C	.	.			trans	-87	126	177.5	-163.3	-68	0	0	0	112.8	Y300 F304 S309 A310 K337 R338 V339	Y300-D307 HydrophobicContact CE1-CB 3.87Å; Y300-D307 PolarHBondContact OH-OD2 3.24Å; Y300-D307 VanDerWaalsContact OH-OD2 3.11Å; F304-D307 HydrophobicContact CB-CB 4.38Å; F304-D307 WeakPolarHBondContact O-CB 3.2Å; F304-D307 PolarHBondContact O-N 2.88Å; D307-S309 VanDerWaalsContact C-N 3.25Å; D307-S309 PolarHBondContact O-N 2.8Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.4Å; D307-A310 PolarHBondContact O-N 3.21Å; D307-K337 WeakPolarHBondContact CA-O 3.46Å; D307-R338 IonicContact OD1-CZ 2.94Å; D307-R338 IonicContact OD1-NH1 3.71Å; D307-R338 PolarHBondContact OD1-NH1 2.78Å; D307-R338 WeakPolarHBondContact OD2-CA 3.17Å; D307-R338 WeakPolarHBondContact OD2-CD 3.49Å; D307-R338 IonicContact OD2-CZ 3.54Å; D307-R338 IonicContact OD2-NE 3.8Å; D307-R338 IonicContact OD2-NH1 3.68Å; D307-R338 PolarHBondContact OD2-NH1 3.38Å; D307-V339 HydrophobicContact CB-CG2 4.02Å; D307-V339 PolarHBondContact OD2-N 3.34Å
308	Y	98.6	Very high	97.6	Very high	16 Å²	16	28.3 Å²	28.3	6%	0.063	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.4	-177.3	92.6	-74.6	0	0	0	114.7	R121 T127 T321 I324 D325 R336 K337 R338	R121-Y308 WeakPolarHBondContact CD-O 3.1Å; R121-Y308 PolarHBondContact NH1-O 3.3Å; T127-Y308 VanDerWaalsContact CB-CA 3.42Å; T127-Y308 VanDerWaalsContact OG1-CA 3.28Å; T127-Y308 WeakPolarHBondContact OG1-CA 3.38Å; T127-Y308 WeakPolarHBondContact OG1-CB 3.29Å; Y308-T321 HydrophobicContact CE2-CG2 3.86Å; Y308-I324 HydrophobicContact CD2-CB 4.45Å; Y308-I324 HydrophobicContact CD2-CD1 4.42Å; Y308-I324 HydrophobicContact CD2-CG2 3.8Å; Y308-I324 HydrophobicContact CE2-CB 4.46Å; Y308-I324 HydrophobicContact CE2-CG2 3.99Å; Y308-D325 WeakPolarHBondContact CE2-OD1 3.32Å; Y308-D325 PolarHBondContact OH-OD1 3.41Å; Y308-D325 PolarHBondContact OH-OD2 3.46Å; Y308-R336 HydrophobicContact CD1-CB 3.83Å; Y308-R336 HydrophobicContact CD2-CB 3.98Å; Y308-R336 HydrophobicContact CD2-CG 3.93Å; Y308-R336 HydrophobicContact CE1-CB 3.96Å; Y308-R336 HydrophobicContact CE2-CB 4.12Å; Y308-R336 HydrophobicContact CE2-CG 4.02Å; Y308-R336 HydrophobicContact CG-CB 3.82Å; Y308-R336 HydrophobicContact CG-CG 4.25Å; Y308-K337 VanDerWaalsContact CD1-O 3.31Å; Y308-K337 WeakPolarHBondContact CD1-O 3.44Å; Y308-K337 PolarHBondContact N-O 2.95Å; Y308-R338 HydrophobicContact CE1-CB 4.5Å
309	S	98.5	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.1	178.2	-170.1	0	0	0	0	112.1	R121 D307 S311 N318 T321	R121-S309 PolarHBondContact NH1-O 3.4Å; R121-S309 PolarHBondContact NH2-O 2.85Å; D307-S309 VanDerWaalsContact C-N 3.25Å; D307-S309 PolarHBondContact O-N 2.8Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.4Å; S309-S311 PolarHBondContact O-N 3.02Å; S309-S311 PolarHBondContact O-OG 3.11Å; S309-S311 PolarHBondContact OG-OG 3.48Å; S309-N318 PolarHBondContact O-ND2 2.9Å; S309-T321 VanDerWaalsContact CA-OG1 3.28Å; S309-T321 WeakPolarHBondContact CA-OG1 3.43Å; S309-T321 PolarHBondContact O-OG1 3.26Å; S309-T321 WeakPolarHBondContact OG-CG2 3.4Å; S309-T321 PolarHBondContact OG-OG1 3.11Å
310	A	98.4	Very high	97.6	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	15%	0.149	C	C	.	.	S	Bend	trans	53.5	18.1	-171.5	0	0	0	0	0	114.6	H301 D307	H301-A310 HydrophobicContact CB-CB 4.31Å; D307-A310 PolarHBondContact O-N 3.21Å
311	S	98.3	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	15%	0.149	C	C	.	.	S	Bend	trans	-153.4	156.7	-178.9	65.4	0	0	0	0	110	F297 Y300 S309 Y313 N318 R338	F297-S311 VanDerWaalsContact CD2-CB 3.48Å; Y300-S311 VanDerWaalsContact CD1-CA 3.45Å; Y300-S311 VanDerWaalsContact CD1-N 3.3Å; Y300-S311 VanDerWaalsContact CE1-C 3.48Å; Y300-S311 WeakPolarHBondContact CE1-O 3.48Å; S309-S311 PolarHBondContact O-N 3.02Å; S309-S311 PolarHBondContact O-OG 3.11Å; S309-S311 PolarHBondContact OG-OG 3.48Å; S311-Y313 PolarHBondContact OG-O 3.43Å; S311-N318 PolarHBondContact OG-ND2 2.99Å; S311-R338 PolarHBondContact O-NH1 3.08Å; S311-R338 PolarHBondContact O-NH2 3.05Å
312	E	97.9	Very high	97.7	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.159	17%	0.165	C	C	.	.	S	Bend	trans	-69.2	-32.3	177.5	178.1	-176.7	166.1	0	0	113.9	Y276 Y300 R338 V344 H356	Y276-E312 HydrophobicContact CE1-CB 4.28Å; Y276-E312 VanDerWaalsContact CE1-OE2 3.24Å; Y276-E312 WeakPolarHBondContact CE1-OE2 3.43Å; Y276-E312 WeakPolarHBondContact OH-CB 3.18Å; Y276-E312 PolarHBondContact OH-OE2 2.74Å; Y300-E312 HydrophobicContact CD2-CB 3.93Å; Y300-E312 HydrophobicContact CE2-CB 3.79Å; E312-R338 PolarHBondContact O-NH2 2.91Å; E312-V344 HydrophobicContact CG-CG1 4.22Å; E312-H356 IonicContact OE1-CE1 3.8Å; E312-H356 IonicContact OE1-NE2 3.23Å; E312-H356 PolarHBondContact OE1-NE2 3.28Å; E312-H356 IonicContact OE2-CD2 3.38Å; E312-H356 PolarHBondContact OE2-CD2 3.2Å; E312-H356 IonicContact OE2-CE1 3.96Å; E312-H356 IonicContact OE2-NE2 2.78Å; E312-H356 PolarHBondContact OE2-NE2 2.95Å
313	Y	95.9	Very high	97.7	Very high	109 Å²	109	37 Å²	37	43%	0.427	17%	0.167	S	C	.	.	S	Bend	trans	-110	120.5	-179.6	-56.6	-57.1	0	0	0	110.3	S311	S311-Y313 PolarHBondContact OG-O 3.43Å
314	P	92.2	Very high	97.7	Very high	61 Å²	61	36.8 Å²	36.8	40%	0.396	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	141.8	170.1	-21	34.3	0	0	0	110.2	H316 T321	P314-H316 PolarHBondContact O-N 3.12Å; P314-T321 HydrophobicContact CB-CG2 4.04Å
315	W	96.8	Very high	97.7	Very high	143 Å²	143	37.6 Å²	37.6	54%	0.542	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-6.5	174.3	-48.1	-8.2	0	0	0	116.6	I317 F322 D325	W315-I317 PolarHBondContact O-N 2.84Å; W315-I317 VanDerWaalsContact O-N 3.15Å; W315-F322 AromaticContact CD2-CD2 3.95Å; W315-F322 HydrophobicContact CD2-CD2 3.95Å; W315-F322 AromaticContact CE2-CD2 3.86Å; W315-F322 HydrophobicContact CE3-CD2 4.28Å; W315-F322 HydrophobicContact CG-CB 4.12Å; W315-F322 HydrophobicContact CG-CD2 4.36Å; W315-F322 HydrophobicContact CH2-CD2 4.43Å; W315-F322 HydrophobicContact CZ2-CD2 4.12Å; W315-D325 HydrophobicContact CZ2-CB 4.11Å; W315-D325 PolarHBondContact NE1-OD2 2.69Å
316	H	96.2	Very high	97.8	Very high	89 Å²	89	39.4 Å²	39.4	41%	0.412	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	104.1	171.5	-178.8	74.1	0	0	0	110.2	F297 P314 N318	F297-H316 WeakPolarHBondContact CE2-O 3.31Å; F297-H316 AromaticContact CZ-CD2 3.7Å; F297-H316 VanDerWaalsContact CZ-O 3.31Å; F297-H316 WeakPolarHBondContact CZ-O 3.37Å; P314-H316 PolarHBondContact O-N 3.12Å; H316-N318 WeakPolarHBondContact O-CB 3.31Å; H316-N318 PolarHBondContact O-N 2.91Å; H316-N318 VanDerWaalsContact O-N 3.11Å
317	I	96.4	Very high	97.8	Very high	67 Å²	67	39.3 Å²	39.3	34%	0.344	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.4	-174.5	-39.6	177.8	0	0	0	111	A286 L290 G294 F297 W315	A286-I317 HydrophobicContact CB-CD1 4.09Å; L290-I317 HydrophobicContact CB-CG2 4.4Å; G294-I317 WeakPolarHBondContact CA-O 3.4Å; F297-I317 HydrophobicContact CE2-CB 4.28Å; F297-I317 HydrophobicContact CZ-CB 4.02Å; W315-I317 PolarHBondContact O-N 2.84Å; W315-I317 VanDerWaalsContact O-N 3.15Å
318	N	98.2	Very high	97.8	Very high	2 Å²	2	40 Å²	40	1%	0.011	19%	0.189	C	C	.	.			trans	-143.4	78.2	-172.4	-164.6	-25.3	0	0	0	110.5	R121 L293 F297 S309 S311 H316 T320 T321 F322	R121-N318 PolarHBondContact NH2-ND2 3.37Å; R121-N318 PolarHBondContact NH2-OD1 3.43Å; L293-N318 CarbonylContact O-C 3.55Å; F297-N318 HydrophobicContact CE2-CB 4.48Å; S309-N318 PolarHBondContact O-ND2 2.9Å; S311-N318 PolarHBondContact OG-ND2 2.99Å; H316-N318 WeakPolarHBondContact O-CB 3.31Å; H316-N318 PolarHBondContact O-N 2.91Å; H316-N318 VanDerWaalsContact O-N 3.11Å; N318-T320 VanDerWaalsContact C-N 3.32Å; N318-T321 PolarHBondContact ND2-OG1 2.94Å; N318-T321 VanDerWaalsContact ND2-OG1 3.12Å; N318-T321 PolarHBondContact OD1-N 2.94Å; N318-T321 PolarHBondContact OD1-OG1 3.15Å; N318-F322 PolarHBondContact O-N 2.92Å
319	F	98.2	Very high	97.8	Very high	99 Å²	99	48 Å²	48	43%	0.434	22%	0.224	S	C	.	.	H	α-helix	trans	-69.1	-31.1	178.4	178.4	-93.7	0	0	0	111.6	E113 L293 T321 F322 F323	E113-F319 HydrophobicContact CG-CE1 4.32Å; E113-F319 WeakPolarHBondContact OE1-CD1 3.47Å; L293-F319 HydrophobicContact CB-CB 4.16Å; L293-F319 HydrophobicContact CD1-CD1 4.06Å; L293-F319 PolarHBondContact O-N 2.99Å; F319-T321 PolarHBondContact O-N 2.97Å; F319-F322 HydrophobicContact CD2-CD1 4.07Å; F319-F322 AromaticContact CE2-CD1 3.92Å; F319-F322 HydrophobicContact CE2-CD1 3.92Å; F319-F322 HydrophobicContact CE2-CE1 4.31Å; F319-F322 CarbonylContact O-C 3.58Å; F319-F322 WeakPolarHBondContact O-CA 3.49Å; F319-F322 WeakPolarHBondContact O-CB 3.41Å; F319-F322 PolarHBondContact O-N 3.45Å; F319-F322 VanDerWaalsContact O-N 3.11Å; F319-F323 HydrophobicContact CE1-CB 4.49Å; F319-F323 PolarHBondContact O-N 2.83Å
320	T	98.7	Very high	97.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.7	175.2	-61.1	0	0	0	0	112.3	E113 A117 R121 L293 N318 F323 I324	E113-T320 VanDerWaalsContact OE1-CA 3.28Å; E113-T320 WeakPolarHBondContact OE1-CA 3.42Å; E113-T320 PolarHBondContact OE1-N 3.2Å; E113-T320 PolarHBondContact OE1-OG1 2.86Å; A117-T320 HydrophobicContact CB-CG2 3.87Å; A117-T320 VanDerWaalsContact N-CG2 3.31Å; R121-T320 VanDerWaalsContact CZ-CG2 3.46Å; L293-T320 PolarHBondContact O-N 3.15Å; L293-T320 PolarHBondContact O-OG1 3.06Å; N318-T320 VanDerWaalsContact C-N 3.32Å; T320-F323 PolarHBondContact O-N 3.11Å; T320-I324 HydrophobicContact CG2-CD1 4.15Å; T320-I324 WeakPolarHBondContact O-CG1 3.34Å; T320-I324 PolarHBondContact O-N 3.46Å
321	T	98.8	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-43.3	172.5	-59.4	0	0	0	0	111.5	R121 Y308 S309 P314 N318 F319 F323 I324 D325	R121-T321 PolarHBondContact NH1-OG1 3.45Å; Y308-T321 HydrophobicContact CE2-CG2 3.86Å; S309-T321 VanDerWaalsContact CA-OG1 3.28Å; S309-T321 WeakPolarHBondContact CA-OG1 3.43Å; S309-T321 PolarHBondContact O-OG1 3.26Å; S309-T321 WeakPolarHBondContact OG-CG2 3.4Å; S309-T321 PolarHBondContact OG-OG1 3.11Å; P314-T321 HydrophobicContact CB-CG2 4.04Å; N318-T321 PolarHBondContact ND2-OG1 2.94Å; N318-T321 VanDerWaalsContact ND2-OG1 3.12Å; N318-T321 PolarHBondContact OD1-N 2.94Å; N318-T321 PolarHBondContact OD1-OG1 3.15Å; F319-T321 PolarHBondContact O-N 2.97Å; T321-F323 VanDerWaalsContact C-N 3.34Å; T321-F323 PolarHBondContact O-N 2.96Å; T321-I324 PolarHBondContact O-N 2.8Å; T321-D325 WeakPolarHBondContact O-CB 3.27Å; T321-D325 VanDerWaalsContact O-CG 3.32Å; T321-D325 PolarHBondContact O-N 3.24Å
322	F	98.6	Very high	97.8	Very high	81 Å²	81	56.6 Å²	56.6	36%	0.355	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-45.1	176	173.4	-98.3	0	0	0	111.8	W315 N318 F319 D325 C326	W315-F322 AromaticContact CD2-CD2 3.95Å; W315-F322 HydrophobicContact CD2-CD2 3.95Å; W315-F322 AromaticContact CE2-CD2 3.86Å; W315-F322 HydrophobicContact CE3-CD2 4.28Å; W315-F322 HydrophobicContact CG-CB 4.12Å; W315-F322 HydrophobicContact CG-CD2 4.36Å; W315-F322 HydrophobicContact CH2-CD2 4.43Å; W315-F322 HydrophobicContact CZ2-CD2 4.12Å; N318-F322 PolarHBondContact O-N 2.92Å; F319-F322 HydrophobicContact CD2-CD1 4.07Å; F319-F322 AromaticContact CE2-CD1 3.92Å; F319-F322 HydrophobicContact CE2-CD1 3.92Å; F319-F322 HydrophobicContact CE2-CE1 4.31Å; F319-F322 CarbonylContact O-C 3.58Å; F319-F322 WeakPolarHBondContact O-CA 3.49Å; F319-F322 WeakPolarHBondContact O-CB 3.41Å; F319-F322 PolarHBondContact O-N 3.45Å; F319-F322 VanDerWaalsContact O-N 3.11Å; F322-D325 PolarHBondContact O-N 2.82Å; F322-C326 VanDerWaalsContact CZ-SG 3.57Å; F322-C326 PolarHBondContact O-N 3.22Å; F322-C326 PolarHBondContact O-SG 2.85Å; F322-C326 VanDerWaalsContact O-SG 3.4Å
323	F	98.7	Very high	97.9	Very high	28 Å²	28	55.1 Å²	55.1	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-49.6	175.2	169.8	-99.9	0	0	0	111.7	E113 A117 L134 F137 L138 F319 T320 T321 D325 C326 M327	E113-F323 WeakPolarHBondContact OE2-CD1 3.36Å; A117-F323 HydrophobicContact CB-CD1 3.75Å; A117-F323 HydrophobicContact CB-CE1 3.86Å; L134-F323 HydrophobicContact CD1-CE1 4.04Å; L134-F323 HydrophobicContact CD1-CZ 3.79Å; F137-F323 AromaticContact CD1-CZ 3.94Å; F137-F323 HydrophobicContact CD1-CZ 3.94Å; F137-F323 HydrophobicContact CE1-CE1 4.34Å; F137-F323 HydrophobicContact CE1-CE2 4.05Å; F137-F323 AromaticContact CE1-CZ 3.52Å; F137-F323 HydrophobicContact CE1-CZ 3.52Å; F137-F323 HydrophobicContact CZ-CZ 4.44Å; L138-F323 HydrophobicContact CD2-CE1 4.11Å; F319-F323 HydrophobicContact CE1-CB 4.49Å; F319-F323 PolarHBondContact O-N 2.83Å; T320-F323 PolarHBondContact O-N 3.11Å; T321-F323 VanDerWaalsContact C-N 3.34Å; T321-F323 PolarHBondContact O-N 2.96Å; F323-D325 VanDerWaalsContact C-N 3.27Å; F323-D325 PolarHBondContact O-N 3.05Å; F323-C326 PolarHBondContact O-N 3Å; F323-M327 HydrophobicContact CD1-CG 4.42Å; F323-M327 HydrophobicContact CD2-CE 4.32Å; F323-M327 HydrophobicContact CD2-CG 4.37Å; F323-M327 HydrophobicContact CE1-CG 3.94Å; F323-M327 HydrophobicContact CE2-CE 3.91Å; F323-M327 HydrophobicContact CE2-CG 3.9Å; F323-M327 HydrophobicContact CE2-SD 4.02Å; F323-M327 HydrophobicContact CZ-CG 3.65Å; F323-M327 HydrophobicContact CZ-SD 4.04Å; F323-M327 WeakPolarHBondContact O-CG 3.36Å; F323-M327 PolarHBondContact O-N 3.21Å
324	I	98.8	Very high	98	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-39.4	178	-66.9	162.7	0	0	0	111	A117 Y128 Y308 T320 T321 M327 A328 A333 R336	A117-I324 HydrophobicContact CB-CD1 4.18Å; A117-I324 HydrophobicContact CB-CG1 3.98Å; Y128-I324 HydrophobicContact CD1-CD1 4.45Å; Y128-I324 HydrophobicContact CD2-CG2 4.24Å; Y128-I324 HydrophobicContact CE1-CD1 4.02Å; Y128-I324 HydrophobicContact CE1-CG1 4.39Å; Y128-I324 HydrophobicContact CE2-CG2 4.34Å; Y128-I324 HydrophobicContact CG-CG2 4.36Å; Y308-I324 HydrophobicContact CD2-CB 4.45Å; Y308-I324 HydrophobicContact CD2-CD1 4.42Å; Y308-I324 HydrophobicContact CD2-CG2 3.8Å; Y308-I324 HydrophobicContact CE2-CB 4.46Å; Y308-I324 HydrophobicContact CE2-CG2 3.99Å; T320-I324 HydrophobicContact CG2-CD1 4.15Å; T320-I324 WeakPolarHBondContact O-CG1 3.34Å; T320-I324 PolarHBondContact O-N 3.46Å; T321-I324 PolarHBondContact O-N 2.8Å; I324-M327 CarbonylContact O-C 3.59Å; I324-M327 PolarHBondContact O-N 2.65Å; I324-A328 WeakPolarHBondContact O-CB 3.25Å; I324-A328 PolarHBondContact O-N 3.31Å; I324-A333 HydrophobicContact CG2-CB 4.49Å; I324-R336 HydrophobicContact CG2-CG 4.22Å
325	D	98.8	Very high	98.3	Very high	18 Å²	18	55.4 Å²	55.4	10%	0.096	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-39.1	178.5	-72.5	-18.2	0	0	0	113	Y308 W315 T321 F322 F323 M327 A328 F329 R336	Y308-D325 WeakPolarHBondContact CE2-OD1 3.32Å; Y308-D325 PolarHBondContact OH-OD1 3.41Å; Y308-D325 PolarHBondContact OH-OD2 3.46Å; W315-D325 HydrophobicContact CZ2-CB 4.11Å; W315-D325 PolarHBondContact NE1-OD2 2.69Å; T321-D325 WeakPolarHBondContact O-CB 3.27Å; T321-D325 VanDerWaalsContact O-CG 3.32Å; T321-D325 PolarHBondContact O-N 3.24Å; F322-D325 PolarHBondContact O-N 2.82Å; F323-D325 VanDerWaalsContact C-N 3.27Å; F323-D325 PolarHBondContact O-N 3.05Å; D325-M327 VanDerWaalsContact C-N 3.32Å; D325-M327 PolarHBondContact O-N 2.8Å; D325-A328 PolarHBondContact O-N 2.76Å; D325-F329 PolarHBondContact O-N 3.22Å; D325-R336 WeakPolarHBondContact OD1-CD 3.31Å; D325-R336 IonicContact OD1-CZ 3.15Å; D325-R336 IonicContact OD1-NE 2.81Å; D325-R336 IonicContact OD1-NH1 3.2Å; D325-R336 PolarHBondContact OD1-NH1 2.7Å
326	C	98.7	Very high	98.4	Very high	43 Å²	43	53.7 Å²	53.7	29%	0.291	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-43	169.4	-70.6	0	0	0	0	111.2	F322 F323 A328 F329 L330	F322-C326 VanDerWaalsContact CZ-SG 3.57Å; F322-C326 PolarHBondContact O-N 3.22Å; F322-C326 PolarHBondContact O-SG 2.85Å; F322-C326 VanDerWaalsContact O-SG 3.4Å; F323-C326 PolarHBondContact O-N 3Å; C326-A328 VanDerWaalsContact C-N 3.28Å; C326-A328 PolarHBondContact O-N 3.03Å; C326-F329 WeakPolarHBondContact O-CB 3.47Å; C326-F329 PolarHBondContact O-N 2.98Å; C326-L330 WeakPolarHBondContact O-CG 3.35Å; C326-L330 PolarHBondContact O-N 2.7Å
327	M	98.8	Very high	98.5	Very high	29 Å²	29	50.4 Å²	50.4	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-32.9	176.1	-65.5	-56	102.7	0	0	112	L134 F323 I324 D325 L330 G331 L332 A333	L134-M327 HydrophobicContact CD1-CB 4.47Å; L134-M327 HydrophobicContact CD1-CG 3.76Å; L134-M327 HydrophobicContact CD1-SD 4.01Å; L134-M327 HydrophobicContact CD2-CB 3.85Å; L134-M327 HydrophobicContact CD2-CG 4.04Å; F323-M327 HydrophobicContact CD1-CG 4.42Å; F323-M327 HydrophobicContact CD2-CE 4.32Å; F323-M327 HydrophobicContact CD2-CG 4.37Å; F323-M327 HydrophobicContact CE1-CG 3.94Å; F323-M327 HydrophobicContact CE2-CE 3.91Å; F323-M327 HydrophobicContact CE2-CG 3.9Å; F323-M327 HydrophobicContact CE2-SD 4.02Å; F323-M327 HydrophobicContact CZ-CG 3.65Å; F323-M327 HydrophobicContact CZ-SD 4.04Å; F323-M327 WeakPolarHBondContact O-CG 3.36Å; F323-M327 PolarHBondContact O-N 3.21Å; I324-M327 CarbonylContact O-C 3.59Å; I324-M327 PolarHBondContact O-N 2.65Å; D325-M327 VanDerWaalsContact C-N 3.32Å; D325-M327 PolarHBondContact O-N 2.8Å; M327-L330 HydrophobicContact CE-CD1 3.81Å; M327-L330 PolarHBondContact O-N 2.96Å; M327-L330 HydrophobicContact SD-CD1 4.5Å; M327-G331 PolarHBondContact O-N 2.66Å; M327-L332 HydrophobicContact CB-CB 4.33Å; M327-L332 WeakPolarHBondContact O-CA 3.34Å; M327-L332 WeakPolarHBondContact O-CB 3.48Å; M327-L332 PolarHBondContact O-N 3.18Å; M327-L332 HydrophobicContact SD-CD1 3.97Å; M327-A333 HydrophobicContact CB-CB 4.08Å; M327-A333 PolarHBondContact O-N 2.7Å; M327-A333 VanDerWaalsContact O-N 3.12Å
328	A	98.8	Very high	98.6	Very high	17 Å²	17	50.4 Å²	50.4	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-40.1	174.4	0	0	0	0	0	111.9	I324 D325 C326 L330 G331 A333 R336	I324-A328 WeakPolarHBondContact O-CB 3.25Å; I324-A328 PolarHBondContact O-N 3.31Å; D325-A328 PolarHBondContact O-N 2.76Å; C326-A328 VanDerWaalsContact C-N 3.28Å; C326-A328 PolarHBondContact O-N 3.03Å; A328-L330 VanDerWaalsContact C-N 3.3Å; A328-L330 PolarHBondContact O-N 2.62Å; A328-G331 WeakPolarHBondContact O-CA 3.46Å; A328-G331 PolarHBondContact O-N 2.78Å; A328-A333 WeakPolarHBondContact CA-O 3.4Å; A328-A333 HydrophobicContact CB-CB 4.16Å; A328-R336 VanDerWaalsContact CB-CZ 3.5Å
329	F	98.5	Very high	98.6	Very high	182 Å²	182	50.8 Å²	50.8	80%	0.798	25%	0.245	S	C	*	.	H	α-helix	trans	-59.3	-40.5	172.8	176.3	-98.8	0	0	0	112.1	D325 C326 G331	D325-F329 PolarHBondContact O-N 3.22Å; C326-F329 WeakPolarHBondContact O-CB 3.47Å; C326-F329 PolarHBondContact O-N 2.98Å; F329-G331 PolarHBondContact O-N 2.7Å
330	L	98.6	Very high	98.5	Very high	109 Å²	109	47.9 Å²	47.9	57%	0.571	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	1.8	173.8	-63.3	175.3	0	0	0	113.8	C326 M327 A328 L332	C326-L330 WeakPolarHBondContact O-CG 3.35Å; C326-L330 PolarHBondContact O-N 2.7Å; M327-L330 HydrophobicContact CE-CD1 3.81Å; M327-L330 PolarHBondContact O-N 2.96Å; M327-L330 HydrophobicContact SD-CD1 4.5Å; A328-L330 VanDerWaalsContact C-N 3.3Å; A328-L330 PolarHBondContact O-N 2.62Å; L330-L332 VanDerWaalsContact C-N 3.26Å; L330-L332 HydrophobicContact CB-CD1 4.42Å; L330-L332 HydrophobicContact CB-CG 4.26Å; L330-L332 PolarHBondContact O-N 3.11Å
331	G	98.6	Very high	98.4	Very high	33 Å²	33	56.6 Å²	56.6	34%	0.34	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	20.2	-177.6	0	0	0	0	0	113.7	R131 M327 A328 F329	R131-G331 VanDerWaalsContact CD-O 3.27Å; R131-G331 WeakPolarHBondContact CD-O 3.42Å; R131-G331 VanDerWaalsContact CZ-O 3.3Å; R131-G331 PolarHBondContact NH1-O 3.41Å; M327-G331 PolarHBondContact O-N 2.66Å; A328-G331 WeakPolarHBondContact O-CA 3.46Å; A328-G331 PolarHBondContact O-N 2.78Å; F329-G331 PolarHBondContact O-N 2.7Å
332	L	98.8	Very high	98.3	Very high	44 Å²	44	59.5 Å²	59.5	23%	0.23	30%	0.299	C	S	.	.	S	Bend	trans	-94.1	-23.7	176.7	-61.6	179.5	0	0	0	113.2	R131 P133 L134 M327 L330	R131-L332 PolarHBondContact N-O 2.97Å; P133-L332 HydrophobicContact CB-CD2 4.13Å; P133-L332 HydrophobicContact CG-CD2 4.18Å; L134-L332 HydrophobicContact CB-CB 4.08Å; L134-L332 HydrophobicContact CD2-CB 4.41Å; M327-L332 HydrophobicContact CB-CB 4.33Å; M327-L332 WeakPolarHBondContact O-CA 3.34Å; M327-L332 WeakPolarHBondContact O-CB 3.48Å; M327-L332 PolarHBondContact O-N 3.18Å; M327-L332 HydrophobicContact SD-CD1 3.97Å; L330-L332 VanDerWaalsContact C-N 3.26Å; L330-L332 HydrophobicContact CB-CD1 4.42Å; L330-L332 HydrophobicContact CB-CG 4.26Å; L330-L332 PolarHBondContact O-N 3.11Å
333	A	98.9	Very high	98.3	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.033	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.3	172.5	0	0	0	0	0	111.5	Y128 K129 L134 I324 M327 A328	Y128-A333 HydrophobicContact CD2-CB 3.9Å; Y128-A333 HydrophobicContact CE2-CB 4.06Å; K129-A333 CarbonylContact O-C 3.53Å; K129-A333 VanDerWaalsContact O-CA 3.32Å; K129-A333 WeakPolarHBondContact O-CA 3.43Å; L134-A333 HydrophobicContact CD2-CB 3.97Å; I324-A333 HydrophobicContact CG2-CB 4.49Å; M327-A333 HydrophobicContact CB-CB 4.08Å; M327-A333 PolarHBondContact O-N 2.7Å; M327-A333 VanDerWaalsContact O-N 3.12Å; A328-A333 WeakPolarHBondContact CA-O 3.4Å; A328-A333 HydrophobicContact CB-CB 4.16Å
334	Y	98.8	Very high	98.2	Very high	109 Å²	109	55.6 Å²	55.6	43%	0.427	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	177.2	177.5	64.8	-78.5	0	0	0	110.8	K129 R131 R336	K129-Y334 HydrophobicContact CB-CD1 4.08Å; K129-Y334 HydrophobicContact CB-CD2 4.05Å; K129-Y334 HydrophobicContact CB-CE1 3.68Å; K129-Y334 HydrophobicContact CB-CE2 3.66Å; K129-Y334 HydrophobicContact CB-CG 4.25Å; K129-Y334 VanDerWaalsContact CB-CZ 3.45Å; K129-Y334 HydrophobicContact CD-CE2 3.7Å; K129-Y334 HydrophobicContact CG-CE2 4.26Å; K129-Y334 PolarHBondContact N-O 3.34Å; K129-Y334 PolarHBondContact O-N 3.17Å; R131-Y334 HydrophobicContact CG-CE1 4.27Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 PolarHBondContact O-N 2.93Å
335	D	98.5	Very high	98.1	Very high	66 Å²	66	60.5 Å²	60.5	35%	0.353	31%	0.31	S	S	.	.			trans	52.9	42.5	-178.4	-171.3	39	0	0	0	113	Y128 K129 K337	Y128-D335 WeakPolarHBondContact CA-O 3.32Å; K129-D335 HydrophobicContact CB-CB 4.38Å; K129-D335 HydrophobicContact CD-CB 4.17Å; K129-D335 HydrophobicContact CG-CB 4.17Å; K129-D335 IonicContact NZ-OD2 3.25Å; K129-D335 PolarHBondContact NZ-OD2 2.95Å; D335-K337 PolarHBondContact O-N 3.09Å; D335-K337 IonicContact OD1-NZ 3.34Å; D335-K337 PolarHBondContact OD1-NZ 3.42Å; D335-K337 WeakPolarHBondContact OD2-CE 3.37Å; D335-K337 IonicContact OD2-NZ 2.7Å; D335-K337 PolarHBondContact OD2-NZ 2.88Å
336	R	98.5	Very high	98	Very high	108 Å²	108	61.8 Å²	61.8	41%	0.408	32%	0.323	S	S	.	.			trans	-71.1	107.4	177.7	-67.4	169.9	-66	173.9	0	109.3	Y308 I324 D325 A328 Y334	Y308-R336 HydrophobicContact CD1-CB 3.83Å; Y308-R336 HydrophobicContact CD2-CB 3.98Å; Y308-R336 HydrophobicContact CD2-CG 3.93Å; Y308-R336 HydrophobicContact CE1-CB 3.96Å; Y308-R336 HydrophobicContact CE2-CB 4.12Å; Y308-R336 HydrophobicContact CE2-CG 4.02Å; Y308-R336 HydrophobicContact CG-CB 3.82Å; Y308-R336 HydrophobicContact CG-CG 4.25Å; I324-R336 HydrophobicContact CG2-CG 4.22Å; D325-R336 WeakPolarHBondContact OD1-CD 3.31Å; D325-R336 IonicContact OD1-CZ 3.15Å; D325-R336 IonicContact OD1-NE 2.81Å; D325-R336 IonicContact OD1-NH1 3.2Å; D325-R336 PolarHBondContact OD1-NH1 2.7Å; A328-R336 VanDerWaalsContact CB-CZ 3.5Å; Y334-R336 VanDerWaalsContact C-N 3.27Å; Y334-R336 PolarHBondContact O-N 2.93Å
337	K	98.4	Very high	97.9	Very high	19 Å²	19	61.1 Å²	61.1	8%	0.083	31%	0.314	C	S	.	.			trans	-83.7	123.3	-174.4	-62.3	176.7	-173.4	-65.6	0	110.5	I46 R47 E49 T127 Y306 D307 Y308 D335	I46-K337 HydrophobicContact CD1-CB 4.03Å; I46-K337 HydrophobicContact CG1-CB 4.38Å; I46-K337 WeakPolarHBondContact O-CD 3.26Å; I46-K337 PolarHBondContact O-NZ 3.21Å; R47-K337 HydrophobicContact CB-CD 3.59Å; R47-K337 HydrophobicContact CG-CD 3.54Å; E49-K337 WeakPolarHBondContact OE1-CE 3.27Å; E49-K337 IonicContact OE1-NZ 3.88Å; E49-K337 PolarHBondContact OE1-NZ 2.93Å; E49-K337 IonicContact OE2-NZ 3.44Å; T127-K337 WeakPolarHBondContact O-CB 3.27Å; T127-K337 WeakPolarHBondContact O-CG 3.5Å; T127-K337 PolarHBondContact O-N 2.53Å; Y306-K337 WeakPolarHBondContact O-CB 3.36Å; D307-K337 WeakPolarHBondContact CA-O 3.46Å; Y308-K337 VanDerWaalsContact CD1-O 3.31Å; Y308-K337 WeakPolarHBondContact CD1-O 3.44Å; Y308-K337 PolarHBondContact N-O 2.95Å; D335-K337 PolarHBondContact O-N 3.09Å; D335-K337 IonicContact OD1-NZ 3.34Å; D335-K337 PolarHBondContact OD1-NZ 3.42Å; D335-K337 WeakPolarHBondContact OD2-CE 3.37Å; D335-K337 IonicContact OD2-NZ 2.7Å; D335-K337 PolarHBondContact OD2-NZ 2.88Å
338	R	97.9	Very high	97.9	Very high	67 Å²	67	61 Å²	61	25%	0.253	31%	0.314	S	S	.	.			trans	-125.1	132.6	-178.1	-169	74.3	177.8	137.1	-22	110.1	I46 Y300 D307 Y308 S311 E312	I46-R338 WeakPolarHBondContact CD1-O 3.46Å; Y300-R338 PolarHBondContact OH-NH1 2.65Å; D307-R338 IonicContact OD1-CZ 2.94Å; D307-R338 IonicContact OD1-NH1 3.71Å; D307-R338 PolarHBondContact OD1-NH1 2.78Å; D307-R338 WeakPolarHBondContact OD2-CA 3.17Å; D307-R338 WeakPolarHBondContact OD2-CD 3.49Å; D307-R338 IonicContact OD2-CZ 3.54Å; D307-R338 IonicContact OD2-NE 3.8Å; D307-R338 IonicContact OD2-NH1 3.68Å; D307-R338 PolarHBondContact OD2-NH1 3.38Å; Y308-R338 HydrophobicContact CE1-CB 4.5Å; S311-R338 PolarHBondContact O-NH1 3.08Å; S311-R338 PolarHBondContact O-NH2 3.05Å; E312-R338 PolarHBondContact O-NH2 2.91Å
339	V	97.6	Very high	97.8	Very high	10 Å²	10	69.4 Å²	69.4	6%	0.061	35%	0.347	C	S	.	.			trans	-69.8	134.3	173.9	-174.6	0	0	0	0	109.8	I46 F304 Y306 D307 T343 V344	I46-V339 HydrophobicContact CD1-CG2 4.26Å; F304-V339 HydrophobicContact CB-CG2 3.82Å; F304-V339 HydrophobicContact CD1-CG1 4.01Å; F304-V339 HydrophobicContact CD1-CG2 3.95Å; F304-V339 HydrophobicContact CE1-CG1 4.02Å; F304-V339 HydrophobicContact CG-CG1 4.47Å; F304-V339 HydrophobicContact CG-CG2 3.94Å; F304-V339 HydrophobicContact CZ-CG1 4.48Å; Y306-V339 HydrophobicContact CD2-CG2 3.94Å; Y306-V339 HydrophobicContact CE2-CG2 3.59Å; D307-V339 HydrophobicContact CB-CG2 4.02Å; D307-V339 PolarHBondContact OD2-N 3.34Å; V339-T343 HydrophobicContact CG1-CG2 3.62Å; V339-V344 HydrophobicContact CB-CG2 4.06Å; V339-V344 HydrophobicContact CG1-CG2 3.71Å
340	S	97.2	Very high	97.8	Very high	39 Å²	39	67.3 Å²	67.3	27%	0.273	33%	0.334	S	S	.	.			trans	-63.9	146.8	178.9	81.5	0	0	0	0	110.9	A342 T343 V344	S340-A342 PolarHBondContact O-N 3Å; S340-T343 PolarHBondContact O-N 3.14Å; S340-T343 VanDerWaalsContact O-N 3.1Å; S340-T343 PolarHBondContact OG-N 3.09Å; S340-T343 VanDerWaalsContact OG-N 3.17Å; S340-T343 PolarHBondContact OG-OG1 2.81Å; S340-V344 PolarHBondContact O-N 3.49Å
341	K	96.5	Very high	97.8	Very high	182 Å²	182	62.9 Å²	62.9	79%	0.791	31%	0.311	S	S	*	.	H	α-helix	trans	-55.8	-35.5	175.9	-67.1	-177.1	179.4	179.8	0	111.9	V344 L345	K341-V344 PolarHBondContact O-N 2.89Å; K341-L345 WeakPolarHBondContact O-CB 3.32Å; K341-L345 VanDerWaalsContact O-CG 3.27Å; K341-L345 WeakPolarHBondContact O-CG 3.24Å; K341-L345 PolarHBondContact O-N 3.1Å
342	A	97	Very high	97.7	Very high	62 Å²	62	62 Å²	62	51%	0.512	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-46	177.6	0	0	0	0	0	111.7	S340 L345 A346	S340-A342 PolarHBondContact O-N 3Å; A342-L345 PolarHBondContact O-N 3.19Å; A342-A346 VanDerWaalsContact O-CB 3.28Å; A342-A346 WeakPolarHBondContact O-CB 3.16Å; A342-A346 PolarHBondContact O-N 3.03Å
343	T	97	Very high	97.6	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-43.7	176.6	-60	0	0	0	0	111.6	E43 F304 V339 S340 A346 R347	E43-T343 HydrophobicContact CG-CG2 4.46Å; F304-T343 HydrophobicContact CE1-CG2 4.11Å; V339-T343 HydrophobicContact CG1-CG2 3.62Å; S340-T343 PolarHBondContact O-N 3.14Å; S340-T343 VanDerWaalsContact O-N 3.1Å; S340-T343 PolarHBondContact OG-N 3.09Å; S340-T343 VanDerWaalsContact OG-N 3.17Å; S340-T343 PolarHBondContact OG-OG1 2.81Å; T343-A346 PolarHBondContact O-N 3.03Å; T343-R347 PolarHBondContact O-N 3.01Å
344	V	97.4	Very high	97.5	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-51	176.6	176.4	0	0	0	0	111.2	Y276 Y300 F304 E312 V339 S340 K341 A346 R347 I348	Y276-V344 HydrophobicContact CD1-CG1 4.15Å; Y276-V344 HydrophobicContact CE1-CG1 3.89Å; Y300-V344 HydrophobicContact CE2-CG1 4.3Å; Y300-V344 HydrophobicContact CE2-CG2 3.95Å; F304-V344 HydrophobicContact CE2-CG2 4.15Å; F304-V344 HydrophobicContact CZ-CG2 4.28Å; E312-V344 HydrophobicContact CG-CG1 4.22Å; V339-V344 HydrophobicContact CB-CG2 4.06Å; V339-V344 HydrophobicContact CG1-CG2 3.71Å; S340-V344 PolarHBondContact O-N 3.49Å; K341-V344 PolarHBondContact O-N 2.89Å; V344-A346 VanDerWaalsContact C-N 3.32Å; V344-A346 PolarHBondContact O-N 2.9Å; V344-R347 PolarHBondContact O-N 3.4Å; V344-I348 HydrophobicContact CG1-CD1 3.8Å; V344-I348 HydrophobicContact CG1-CG1 4.46Å; V344-I348 WeakPolarHBondContact O-CG1 3.44Å; V344-I348 PolarHBondContact O-N 3.02Å
345	L	96.7	Very high	97.4	Very high	103 Å²	103	60.9 Å²	60.9	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-37.3	179.2	-71.9	171.3	0	0	0	112.6	K341 A342 I348 K349	K341-L345 WeakPolarHBondContact O-CB 3.32Å; K341-L345 VanDerWaalsContact O-CG 3.27Å; K341-L345 WeakPolarHBondContact O-CG 3.24Å; K341-L345 PolarHBondContact O-N 3.1Å; A342-L345 PolarHBondContact O-N 3.19Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-K349 WeakPolarHBondContact O-CB 3.37Å; L345-K349 PolarHBondContact O-N 3.38Å
346	A	97.1	Very high	97.2	Very high	44 Å²	44	59.8 Å²	59.8	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-41.8	175.1	0	0	0	0	0	111.7	A342 T343 V344 K349 R350	A342-A346 VanDerWaalsContact O-CB 3.28Å; A342-A346 WeakPolarHBondContact O-CB 3.16Å; A342-A346 PolarHBondContact O-N 3.03Å; T343-A346 PolarHBondContact O-N 3.03Å; V344-A346 VanDerWaalsContact C-N 3.32Å; V344-A346 PolarHBondContact O-N 2.9Å; A346-K349 PolarHBondContact O-N 2.98Å; A346-R350 WeakPolarHBondContact O-CB 3.49Å; A346-R350 PolarHBondContact O-N 3.17Å
347	R	97.3	Very high	96.5	Very high	30 Å²	30	64.1 Å²	64.1	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-47.3	175.8	-173.9	63.8	172.1	-84.4	-0	111.7	D277 A303 F304 T343 V344 K349 R350 T351	D277-R347 IonicContact OD2-CZ 3.26Å; D277-R347 IonicContact OD2-NE 2.75Å; D277-R347 PolarHBondContact OD2-NE 3.38Å; D277-R347 IonicContact OD2-NH2 3.36Å; D277-R347 PolarHBondContact OD2-NH2 2.94Å; A303-R347 PolarHBondContact O-NH1 3.01Å; F304-R347 HydrophobicContact CE1-CB 4.32Å; F304-R347 HydrophobicContact CE1-CG 4.36Å; F304-R347 HydrophobicContact CE2-CG 4.42Å; F304-R347 HydrophobicContact CZ-CB 3.61Å; F304-R347 HydrophobicContact CZ-CG 3.73Å; T343-R347 PolarHBondContact O-N 3.01Å; V344-R347 PolarHBondContact O-N 3.4Å; R347-K349 VanDerWaalsContact C-N 3.28Å; R347-K349 PolarHBondContact O-N 2.96Å; R347-R350 VanDerWaalsContact CD-NH2 3.28Å; R347-R350 PolarHBondContact O-N 3.46Å; R347-T351 VanDerWaalsContact CD-OG1 3.26Å; R347-T351 WeakPolarHBondContact CD-OG1 3.48Å; R347-T351 PolarHBondContact NE-OG1 3.49Å; R347-T351 VanDerWaalsContact NE-OG1 3.17Å; R347-T351 PolarHBondContact O-N 2.84Å; R347-T351 PolarHBondContact O-OG1 3.02Å; R347-T351 VanDerWaalsContact O-OG1 3.09Å
348	I	97.8	Very high	95.2	Very high	26 Å²	26	68.7 Å²	68.7	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-54.6	-46.6	175.6	-66.8	161.8	0	0	0	110.4	Y276 V344 L345 R350 G352 H356	Y276-I348 HydrophobicContact CD1-CD1 4Å; Y276-I348 HydrophobicContact CD1-CG1 3.63Å; Y276-I348 HydrophobicContact CE1-CD1 3.9Å; Y276-I348 HydrophobicContact CE1-CG1 4.05Å; V344-I348 HydrophobicContact CG1-CD1 3.8Å; V344-I348 HydrophobicContact CG1-CG1 4.46Å; V344-I348 WeakPolarHBondContact O-CG1 3.44Å; V344-I348 PolarHBondContact O-N 3.02Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; I348-R350 VanDerWaalsContact C-N 3.31Å; I348-R350 PolarHBondContact O-N 3.23Å; I348-G352 VanDerWaalsContact O-CA 3.31Å; I348-G352 WeakPolarHBondContact O-CA 3.32Å; I348-G352 PolarHBondContact O-N 3.03Å; I348-H356 HydrophobicContact CG2-CB 4.05Å
349	K	97.3	Very high	93.2	Very high	193 Å²	193	70.5 Å²	70.5	84%	0.839	41%	0.406	S	S	*	.	H	α-helix	trans	-64	-34.7	178.1	-173.6	179.2	178.8	-178	0	112.8	L345 A346 R347	L345-K349 WeakPolarHBondContact O-CB 3.37Å; L345-K349 PolarHBondContact O-N 3.38Å; A346-K349 PolarHBondContact O-N 2.98Å; R347-K349 VanDerWaalsContact C-N 3.28Å; R347-K349 PolarHBondContact O-N 2.96Å
350	R	97.6	Very high	93	Very high	138 Å²	138	73.6 Å²	73.6	52%	0.521	42%	0.423	S	S	.	.	H	α-helix	trans	-79.1	-44.2	-176.9	-170.1	176.5	66.7	-157.1	0.2	112.5	E43 A346 R347 I348	E43-R350 IonicContact OE1-CZ 3.33Å; E43-R350 IonicContact OE1-NH1 2.89Å; E43-R350 PolarHBondContact OE1-NH1 3.39Å; E43-R350 IonicContact OE1-NH2 2.81Å; E43-R350 PolarHBondContact OE1-NH2 2.76Å; A346-R350 WeakPolarHBondContact O-CB 3.49Å; A346-R350 PolarHBondContact O-N 3.17Å; R347-R350 VanDerWaalsContact CD-NH2 3.28Å; R347-R350 PolarHBondContact O-N 3.46Å; I348-R350 VanDerWaalsContact C-N 3.31Å; I348-R350 PolarHBondContact O-N 3.23Å
351	T	97.9	Very high	92.8	Very high	16 Å²	16	75.4 Å²	75.4	10%	0.098	43%	0.431	C	S	.	.	H	α-helix	trans	-133.8	-3.4	-166.6	49.3	0	0	0	0	115.1	Y276 D277 K278 R347	Y276-T351 CarbonylContact O-C 3.45Å; Y276-T351 PolarHBondContact O-OG1 3.4Å; D277-T351 WeakPolarHBondContact CA-O 3.31Å; D277-T351 WeakPolarHBondContact OD1-CB 3.35Å; K278-T351 WeakPolarHBondContact CG-O 3.28Å; K278-T351 PolarHBondContact N-O 3.4Å; R347-T351 VanDerWaalsContact CD-OG1 3.26Å; R347-T351 WeakPolarHBondContact CD-OG1 3.48Å; R347-T351 PolarHBondContact NE-OG1 3.49Å; R347-T351 VanDerWaalsContact NE-OG1 3.17Å; R347-T351 PolarHBondContact O-N 2.84Å; R347-T351 PolarHBondContact O-OG1 3.02Å; R347-T351 VanDerWaalsContact O-OG1 3.09Å
352	G	97.7	Very high	92.6	Very high	14 Å²	14	69.4 Å²	69.4	14%	0.144	41%	0.411	C	S	.	.			trans	-65.4	153.6	-179.4	0	0	0	0	0	114	P275 Y276 I348 G354	P275-G352 WeakPolarHBondContact O-CA 3.38Å; Y276-G352 PolarHBondContact O-N 3.32Å; I348-G352 VanDerWaalsContact O-CA 3.31Å; I348-G352 WeakPolarHBondContact O-CA 3.32Å; I348-G352 PolarHBondContact O-N 3.03Å; G352-G354 VanDerWaalsContact C-N 3.33Å
353	D	97.4	Very high	92.3	Very high	60 Å²	60	69.9 Å²	69.9	32%	0.321	41%	0.405	S	S	.	.			trans	-82.7	-7.6	174.6	70.7	-3	0	0	0	114.1	R274 P275 K278 S355	R274-D353 WeakPolarHBondContact CA-OD2 3.37Å; R274-D353 PolarHBondContact N-OD2 3.03Å; R274-D353 WeakPolarHBondContact O-CB 3.27Å; R274-D353 PolarHBondContact O-N 3.2Å; R274-D353 VanDerWaalsContact O-N 3.08Å; P275-D353 WeakPolarHBondContact CA-OD1 3.35Å; K278-D353 HydrophobicContact CB-CB 3.93Å; D353-S355 VanDerWaalsContact OD1-CB 3.32Å; D353-S355 WeakPolarHBondContact OD1-CB 3.45Å; D353-S355 PolarHBondContact OD1-N 2.87Å; D353-S355 PolarHBondContact OD1-OG 2.93Å; D353-S355 VanDerWaalsContact OD1-OG 3.05Å
354	G	96.2	Very high	92.1	Very high	51 Å²	51	72.8 Å²	72.8	53%	0.526	42%	0.421	S	S	.	.	S	Bend	trans	96.3	-4.4	-179.9	0	0	0	0	0	115.2	G352 H356	G352-G354 VanDerWaalsContact C-N 3.33Å; G354-H356 VanDerWaalsContact C-N 3.26Å; G354-H356 PolarHBondContact O-N 3.07Å
355	S	96.3	Very high	91.7	Very high	23 Å²	23	77.4 Å²	77.4	16%	0.161	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-73.3	-14.5	-178.8	78.4	0	0	0	0	114.1	Y273 D353 K357 S358	Y273-S355 WeakPolarHBondContact CB-OG 3.49Å; D353-S355 VanDerWaalsContact OD1-CB 3.32Å; D353-S355 WeakPolarHBondContact OD1-CB 3.45Å; D353-S355 PolarHBondContact OD1-N 2.87Å; D353-S355 PolarHBondContact OD1-OG 2.93Å; D353-S355 VanDerWaalsContact OD1-OG 3.05Å; S355-K357 PolarHBondContact O-N 2.99Å; S355-K357 VanDerWaalsContact O-N 3.14Å; S355-S358 PolarHBondContact O-N 3.17Å
356	H	94.9	Very high	91.3	Very high	44 Å²	44	75.6 Å²	75.6	20%	0.204	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-57	-29.4	-179.3	-173	-99.5	0	0	0	113	P275 E312 I348 G354 S358 G359	P275-H356 HydrophobicContact CB-CB 3.8Å; E312-H356 IonicContact OE1-CE1 3.8Å; E312-H356 IonicContact OE1-NE2 3.23Å; E312-H356 PolarHBondContact OE1-NE2 3.28Å; E312-H356 IonicContact OE2-CD2 3.38Å; E312-H356 PolarHBondContact OE2-CD2 3.2Å; E312-H356 IonicContact OE2-CE1 3.96Å; E312-H356 IonicContact OE2-NE2 2.78Å; E312-H356 PolarHBondContact OE2-NE2 2.95Å; I348-H356 HydrophobicContact CG2-CB 4.05Å; G354-H356 VanDerWaalsContact C-N 3.26Å; G354-H356 PolarHBondContact O-N 3.07Å; H356-S358 PolarHBondContact O-N 2.95Å; H356-G359 PolarHBondContact O-N 2.82Å
357	K	82.7	Confident	90.9	Very high	199 Å²	199	78 Å²	78	87%	0.865	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-67.3	-15.1	177.9	-66.4	-174.2	178.3	-178.8	0	114.2	S355	S355-K357 PolarHBondContact O-N 2.99Å; S355-K357 VanDerWaalsContact O-N 3.14Å
358	S	72.1	Confident	90.4	Very high	115 Å²	115	82 Å²	82	80%	0.804	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-116.8	2.7	-172.4	-52.5	0	0	0	0	112.8	S355 H356	S355-S358 PolarHBondContact O-N 3.17Å; H356-S358 PolarHBondContact O-N 2.95Å
359	G	56.4	Low	89.7	Confident	105 Å²	105	87.1 Å²	87.1	100%	1.082	51%	0.506	S	S	*	.			trans	-103.8	0	-172.6	0	0	0	0	0	114.4	H356	H356-G359 PolarHBondContact O-N 2.82Å

Retrieved 359 of 359 residues in 995.1 ms (Link to these results)

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