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Acyl-CoA desaturase 3

Stearoyl-CoA desaturase that utilizes O(2) and electrons from reduced cytochrome b5 to introduce the first double bond into saturated fatty acyl-CoA substrates. Catalyzes the insertion of a cis double bond at the delta-9 position into fatty acyl-CoA substrates including palmitoyl-CoA^1,2. Has a strong preference for saturated fatty acids with chain lengths of 14 or 16 carbon atoms (C14:0 and C16:0), and has only very low activity with stearatate (C18:0)^3,4. Required for the biosynthesis of membrane phospholipids, cholesterol esters and triglycerides (By similarity).

AlphaFold DB , UniProt , Accession Q99PL7, Species MOUSE (Mus musculus, Mouse), Gene Scd3, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	31.8	Very low	64 Å²	64	135.5 Å²	135.5	32%	0.315	71%	0.708	S	S	.	*				0	149.8	0	-73.9	-168.1	-112.7	0	0	109.3	N75 F146 N148 L185	M1-N75 PolarHBondContact SD-ND2 2.92Å; M1-F146 VanDerWaalsContact N-CE2 3.33Å; M1-N148 PolarHBondContact O-OD1 3.29Å; M1-L185 HydrophobicContact CE-CB 3.45Å; M1-L185 VanDerWaalsContact CE-CB 3.45Å; M1-L185 HydrophobicContact CE-CD1 4.38Å; M1-L185 HydrophobicContact CE-CD2 3.43Å; M1-L185 VanDerWaalsContact CE-CD2 3.43Å; M1-L185 HydrophobicContact CE-CG 3.91Å; M1-L185 WeakPolarHBondContact CE-O 3.34Å
2	P	33.4	Very low	31.7	Very low	66 Å²	66	133.8 Å²	133.8	43%	0.429	71%	0.711	S	S	.	*				-142.9	129.7	124.9	27.8	-9.6	0	0	0	112.1
3	G	33.8	Very low	31.9	Very low	52 Å²	52	132.5 Å²	132.5	54%	0.536	72%	0.719	S	S	.	*			trans	-91	114.2	168.1	0	0	0	0	0	110.4
4	H	36.1	Very low	31.9	Very low	155 Å²	155	138 Å²	138	72%	0.718	73%	0.727	S	S	*	*			trans	43.2	107.8	156.5	-73.8	-80.4	0	0	0	119.7
5	L	28.8	Very low	32	Very low	147 Å²	147	138.1 Å²	138.1	77%	0.77	74%	0.735	S	S	*	*			trans	-73.2	119.4	142.1	-79.1	155.1	0	0	0	107.7
6	L	33	Very low	31.9	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	73%	0.732	S	S	*	*			trans	-122.7	141.1	153.1	-82.2	170.7	0	0	0	107.4
7	Q	27.5	Very low	32.1	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	74%	0.738	S	S	*	*			trans	-106.7	129.1	-165.4	176.7	179.5	-7.5	0	0	106.2
8	E	33.8	Very low	32	Very low	197 Å²	197	134.5 Å²	134.5	92%	0.921	73%	0.732	S	S	*	*			trans	-153.9	123.4	163.1	-115.6	166.4	-153.7	0	0	110.6
9	E	26.2	Very low	32.2	Very low	171 Å²	171	134.5 Å²	134.5	80%	0.799	74%	0.737	S	S	*	*			trans	-81	152.3	172.4	-65.5	172.2	139.8	0	0	109.7
10	M	32.7	Very low	32.4	Very low	173 Å²	173	134.9 Å²	134.9	85%	0.852	74%	0.736	S	S	*	*				169.1	113.6	127.7	-89.7	172.9	68.4	0	0	113.1
11	T	30.7	Very low	32.9	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	74%	0.742	S	S	*	*			trans	33.5	139.1	141.7	45.6	0	0	0	0	123.9
12	P	31	Very low	33.1	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	76%	0.763	S	S	*	*			trans	-94.8	151.7	179.6	38	-31.7	0	0	0	113.8
13	S	33.9	Very low	33.5	Very low	117 Å²	117	139 Å²	139	82%	0.818	78%	0.78	S	S	*	*			trans	-122.6	124.8	164	70.2	0	0	0	0	111.3
14	Y	31.9	Very low	33.9	Very low	210 Å²	210	142.1 Å²	142.1	82%	0.824	79%	0.791	S	S	*	*			trans	-77.4	141.7	171.2	-72.4	-96.4	0	0	0	111.1
15	T	34.3	Very low	33.9	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	80%	0.797	S	S	*	*			trans	-151.1	124.3	144.9	-41	0	0	0	0	110.7
16	T	29.5	Very low	34.4	Very low	111 Å²	111	137.3 Å²	137.3	68%	0.681	80%	0.8	S	S	*	*			trans	-85.6	141.9	178	-47.9	0	0	0	0	110.1
17	T	34.9	Very low	34.3	Very low	136 Å²	136	135 Å²	135	83%	0.834	80%	0.797	S	S	*	*			trans	-152.2	124.4	144.9	-60.8	0	0	0	0	110.3
18	T	31.1	Very low	34.9	Very low	103 Å²	103	135.1 Å²	135.1	63%	0.632	80%	0.803	S	S	*	*			trans	-95.6	139.5	178	-48.7	0	0	0	0	109.3
19	T	36.4	Very low	34.9	Very low	134 Å²	134	134.7 Å²	134.7	82%	0.822	80%	0.801	S	S	*	*			trans	-151.3	128.1	146.3	-40.2	0	0	0	0	111
20	I	36	Very low	35.5	Very low	142 Å²	142	134.7 Å²	134.7	73%	0.728	81%	0.806	S	S	*	*			trans	-97.9	136	177.9	-67.7	165.1	0	0	0	107.8
21	T	42.6	Very low	35.5	Very low	140 Å²	140	130.3 Å²	130.3	86%	0.859	81%	0.805	S	S	*	*			trans	-149.6	123	151	33.4	0	0	0	0	110.2
22	A	38	Very low	35.7	Very low	91 Å²	91	136 Å²	136	75%	0.752	81%	0.813	S	S	*	*			trans	-88.8	160.8	171.2	0	0	0	0	0	111.2
23	P	41.8	Very low	35.9	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	82%	0.817	S	S	*	*			trans	-102.6	176.2	-166.8	40	-33	0	0	0	113.3
24	P	42	Very low	35.8	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	82%	0.821	S	S	*	*			trans	-136.7	138.9	149.8	35.2	-18.9	0	0	0	115.9
25	S	36.8	Very low	35.9	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	82%	0.818	S	S	*	*			trans	33.8	125.8	140.4	63.6	0	0	0	0	122
26	G	37.3	Very low	35.8	Very low	81 Å²	81	142 Å²	142	84%	0.835	82%	0.818	S	S	*	*			trans	-160.5	100.2	158.2	0	0	0	0	0	111.5
27	S	32.8	Very low	35.9	Very low	117 Å²	117	143 Å²	143	82%	0.818	82%	0.824	S	S	*	*			trans	-76.5	131.7	174.8	52.1	0	0	0	0	111.9
28	L	38.2	Very low	35.9	Very low	177 Å²	177	141.8 Å²	141.8	93%	0.927	82%	0.816	S	S	*	*			trans	-146.6	121.5	154.6	-94.5	168.2	0	0	0	110
29	Q	34	Very low	36	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	82%	0.816	S	S	*	*			trans	-68.4	135.9	172.8	-70.5	169.1	-24.2	0	0	110.2
30	N	39.7	Very low	36.1	Very low	171 Å²	171	142.8 Å²	142.8	91%	0.914	82%	0.817	S	S	*	*			trans	-160.3	128.7	140.2	-110.8	-18.5	0	0	0	111.4
31	G	31.8	Very low	36.5	Very low	80 Å²	80	144.2 Å²	144.2	83%	0.825	81%	0.814	S	S	*	*			trans	-70.5	128.1	-177.7	0	0	0	0	0	112.3
32	R	36.1	Very low	36.8	Very low	245 Å²	245	145.2 Å²	145.2	93%	0.925	81%	0.814	S	S	*	*			trans	-145	141.3	155.2	-117.1	176.5	-179	172.5	0.5	108.4
33	E	35.3	Very low	38	Very low	182 Å²	182	144.7 Å²	144.7	85%	0.85	80%	0.796	S	S	*	*			trans	-45.4	136.6	-165.5	-68.1	161.1	130.6	0	0	114.3	V35	E33-V35 VanDerWaalsContact C-N 3.29Å; E33-V35 PolarHBondContact O-N 3.27Å
34	K	31.3	Very low	40	Very low	204 Å²	204	145.1 Å²	145.1	89%	0.887	79%	0.787	S	S	*	*			trans	-63.9	87.1	170.2	-74.5	179.9	176.4	177.4	0	109.7	K36	K34-K36 PolarHBondContact O-N 3.39Å; K34-K36 VanDerWaalsContact O-N 3.15Å
35	V	35.1	Very low	42.4	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	77%	0.774	S	S	*	*			trans	-60.7	112.5	149.6	-179.8	0	0	0	0	105.3	E33 T37	E33-V35 VanDerWaalsContact C-N 3.29Å; E33-V35 PolarHBondContact O-N 3.27Å; V35-T37 VanDerWaalsContact C-N 3.28Å; V35-T37 PolarHBondContact O-N 2.99Å
36	K	30.5	Very low	45.2	Very low	195 Å²	195	140.3 Å²	140.3	85%	0.848	75%	0.745	S	S	*	*			trans	-57.8	94.8	171.8	-77.8	178.5	176.3	176.6	0	108	K34 V38	K34-K36 PolarHBondContact O-N 3.39Å; K34-K36 VanDerWaalsContact O-N 3.15Å; K36-V38 PolarHBondContact O-N 3.46Å
37	T	33.2	Very low	48.1	Very low	130 Å²	130	136.6 Å²	136.6	80%	0.798	71%	0.706	S	S	*	*			trans	-59.6	103.6	159.9	38.9	0	0	0	0	106.4	V35	V35-T37 VanDerWaalsContact C-N 3.28Å; V35-T37 PolarHBondContact O-N 2.99Å
38	V	33.8	Very low	51.1	Low	111 Å²	111	134.7 Å²	134.7	67%	0.673	69%	0.691	S	S	*	*			trans	-48.6	129.2	165.7	179.8	0	0	0	0	106.2	K36 L40	K36-V38 PolarHBondContact O-N 3.46Å; V38-L40 PolarHBondContact O-N 3.33Å; V38-L40 VanDerWaalsContact O-N 3.08Å
39	P	33.5	Very low	53.8	Low	99 Å²	99	130.6 Å²	130.6	64%	0.643	67%	0.667	S	S	*	*			trans	-53.7	125.5	177.6	-18.5	29.9	0	0	0	107.2	Y41	P39-Y41 VanDerWaalsContact C-N 3.27Å; P39-Y41 PolarHBondContact O-N 3.13Å
40	L	38	Very low	56.8	Low	160 Å²	160	122.2 Å²	122.2	84%	0.838	63%	0.628	S	S	*	*			trans	-52.2	107.7	158.2	-108.7	88.1	0	0	0	104.1	V38 L42	V38-L40 PolarHBondContact O-N 3.33Å; V38-L40 VanDerWaalsContact O-N 3.08Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.02Å
41	Y	43.8	Very low	59.5	Low	171 Å²	171	119 Å²	119	67%	0.671	61%	0.606	S	S	*	*			trans	-54.5	109.5	164.2	-82.2	-92.3	0	0	0	104.4	P39 E43	P39-Y41 VanDerWaalsContact C-N 3.27Å; P39-Y41 PolarHBondContact O-N 3.13Å; Y41-E43 VanDerWaalsContact C-N 3.27Å; Y41-E43 PolarHBondContact O-N 2.65Å
42	L	50.6	Low	62.7	Low	162 Å²	162	117.3 Å²	117.3	85%	0.848	58%	0.577	S	S	*	*			trans	-51.4	104.9	161	-88.2	147.4	0	0	0	104.2	L40 E44	L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.02Å; L42-E44 PolarHBondContact O-N 2.68Å
43	E	63.3	Low	65.6	Low	80 Å²	80	105.7 Å²	105.7	37%	0.374	53%	0.532	S	S	.	.			trans	-53.5	116.7	175.1	-74.7	175.7	-171.7	0	0	106	Y41 D45 T343 R350	Y41-E43 VanDerWaalsContact C-N 3.27Å; Y41-E43 PolarHBondContact O-N 2.65Å; E43-D45 PolarHBondContact O-N 2.82Å; E43-D45 VanDerWaalsContact O-N 3.12Å; E43-T343 HydrophobicContact CG-CG2 4.35Å; E43-R350 IonicContact OE1-CZ 3.39Å; E43-R350 IonicContact OE1-NH1 3.01Å; E43-R350 PolarHBondContact OE1-NH1 3.27Å; E43-R350 IonicContact OE1-NH2 2.81Å; E43-R350 PolarHBondContact OE1-NH2 3.37Å
44	E	83.7	Confident	68.6	Low	131 Å²	131	100.3 Å²	100.3	61%	0.612	51%	0.509	S	S	*	.			trans	-59.3	118.9	-178.8	-72.5	175.6	158	0	0	108.4	L42 I46	L42-E44 PolarHBondContact O-N 2.68Å; E44-I46 VanDerWaalsContact C-N 3.31Å; E44-I46 HydrophobicContact CB-CG2 4.2Å; E44-I46 PolarHBondContact O-N 2.86Å
45	D	91.7	Very high	71.7	Confident	89 Å²	89	95.2 Å²	95.2	48%	0.476	49%	0.485	S	S	.	.			trans	-74.6	86.6	174.7	-172.6	-2.7	0	0	0	109	E43 R47 P48 K51	E43-D45 PolarHBondContact O-N 2.82Å; E43-D45 VanDerWaalsContact O-N 3.12Å; D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 3.11Å; D45-R47 PolarHBondContact OD1-N 3.38Å; D45-P48 WeakPolarHBondContact OD1-CA 3.32Å; D45-K51 WeakPolarHBondContact OD2-CE 3.43Å; D45-K51 IonicContact OD2-NZ 3.39Å; D45-K51 PolarHBondContact OD2-NZ 3.37Å
46	I	95.9	Very high	74.7	Confident	46 Å²	46	91 Å²	91	24%	0.236	46%	0.458	C	S	.	.	S	Bend	trans	-78	-10.6	-179	66.4	173.7	0	0	0	113.5	E44 Y306 K337 R338 V339	E44-I46 VanDerWaalsContact C-N 3.31Å; E44-I46 HydrophobicContact CB-CG2 4.2Å; E44-I46 PolarHBondContact O-N 2.86Å; I46-Y306 HydrophobicContact CD1-CD2 3.86Å; I46-Y306 HydrophobicContact CD1-CE2 4.32Å; I46-Y306 HydrophobicContact CG1-CD2 3.73Å; I46-Y306 HydrophobicContact CG1-CE2 4.23Å; I46-K337 HydrophobicContact CD1-CB 4.11Å; I46-K337 HydrophobicContact CG1-CB 4.47Å; I46-K337 WeakPolarHBondContact O-CD 3.33Å; I46-K337 PolarHBondContact O-NZ 3.39Å; I46-R338 WeakPolarHBondContact CD1-O 3.17Å; I46-V339 HydrophobicContact CD1-CG2 4.24Å
47	R	97.4	Very high	77.7	Confident	3 Å²	3	85.6 Å²	85.6	1%	0.011	44%	0.443	C	S	.	.			trans	-136.8	63.4	-179	-163.9	-163.8	65.5	-160.7	-9.1	111.5	D45 E49 M50 D53 H125 P305 Y306 K337	D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 3.11Å; D45-R47 PolarHBondContact OD1-N 3.38Å; R47-E49 WeakPolarHBondContact CA-OE2 3.31Å; R47-E49 HydrophobicContact CG-CG 4.17Å; R47-E49 PolarHBondContact O-N 2.95Å; R47-M50 VanDerWaalsContact CZ-O 3.28Å; R47-M50 PolarHBondContact NE-O 3.28Å; R47-M50 PolarHBondContact NH2-O 3.18Å; R47-D53 IonicContact CZ-OD1 2.71Å; R47-D53 IonicContact CZ-OD2 3.89Å; R47-D53 VanDerWaalsContact CZ-OD2 3.29Å; R47-D53 IonicContact NH1-OD1 2.74Å; R47-D53 IonicContact NH1-OD2 3.74Å; R47-D53 PolarHBondContact NH1-OD2 3.42Å; R47-D53 VanDerWaalsContact NH2-CG 3.26Å; R47-D53 IonicContact NH2-OD1 3.43Å; R47-D53 PolarHBondContact NH2-OD1 2.98Å; R47-D53 IonicContact NH2-OD2 2.66Å; R47-D53 PolarHBondContact NH2-OD2 2.94Å; R47-D53 VanDerWaalsContact NH2-OD2 3.1Å; R47-H125 WeakPolarHBondContact CD-O 3.27Å; R47-H125 PolarHBondContact NE-O 3.22Å; R47-H125 PolarHBondContact NH1-O 3.44Å; R47-P305 PolarHBondContact NH1-O 3.45Å; R47-Y306 VanDerWaalsContact NH1-CA 3.32Å; R47-K337 HydrophobicContact CB-CD 3.55Å; R47-K337 HydrophobicContact CG-CD 3.53Å
48	P	95.7	Very high	80.7	Confident	78 Å²	78	85 Å²	85	51%	0.506	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.2	-177.7	29	-36.3	0	0	0	113	D45 M50	D45-P48 WeakPolarHBondContact OD1-CA 3.32Å; P48-M50 VanDerWaalsContact C-N 3.26Å; P48-M50 PolarHBondContact O-N 3.49Å
49	E	95.4	Very high	83.7	Confident	91 Å²	91	81.7 Å²	81.7	43%	0.425	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.1	-176	66.7	-102.9	-123.6	0	0	115	R47 K129 K337	R47-E49 WeakPolarHBondContact CA-OE2 3.31Å; R47-E49 HydrophobicContact CG-CG 4.17Å; R47-E49 PolarHBondContact O-N 2.95Å; E49-K129 IonicContact OE1-NZ 2.9Å; E49-K129 PolarHBondContact OE1-NZ 3.4Å; E49-K337 WeakPolarHBondContact OE1-CE 3.26Å; E49-K337 IonicContact OE1-NZ 3.37Å; E49-K337 PolarHBondContact OE1-NZ 3.2Å; E49-K337 IonicContact OE2-NZ 2.64Å
50	M	97	Very high	86.6	Confident	11 Å²	11	84.1 Å²	84.1	5%	0.054	42%	0.418	C	S	.	.			trans	-151	123.7	-173.3	172.2	57.7	-172.8	0	0	110.8	R47 P48 E52 D53 S124 R126 R158	R47-M50 VanDerWaalsContact CZ-O 3.28Å; R47-M50 PolarHBondContact NE-O 3.28Å; R47-M50 PolarHBondContact NH2-O 3.18Å; P48-M50 VanDerWaalsContact C-N 3.26Å; P48-M50 PolarHBondContact O-N 3.49Å; M50-E52 HydrophobicContact CE-CB 3.55Å; M50-E52 HydrophobicContact CE-CG 4.19Å; M50-E52 HydrophobicContact SD-CB 4.19Å; M50-E52 HydrophobicContact SD-CG 4.2Å; M50-D53 HydrophobicContact CE-CB 4.29Å; M50-S124 WeakPolarHBondContact CE-O 3.34Å; M50-R126 HydrophobicContact CB-CB 4.13Å; M50-R126 HydrophobicContact CB-CG 4.27Å; M50-R126 HydrophobicContact CG-CB 4.36Å; M50-R126 HydrophobicContact CG-CG 4.27Å; M50-R158 HydrophobicContact CE-CG 3.82Å; M50-R158 VanDerWaalsContact CE-CZ 3.44Å
51	K	97.3	Very high	89.4	Confident	104 Å²	104	78.3 Å²	78.3	45%	0.452	39%	0.388	S	S	.	.			trans	-133.9	0.6	-175.5	-70.9	177.6	168.1	146	0	114.8	D45 D53 I54	D45-K51 WeakPolarHBondContact OD2-CE 3.43Å; D45-K51 IonicContact OD2-NZ 3.39Å; D45-K51 PolarHBondContact OD2-NZ 3.37Å; K51-D53 PolarHBondContact O-N 2.86Å; K51-I54 HydrophobicContact CB-CG1 4.36Å; K51-I54 PolarHBondContact O-N 3.04Å
52	E	97.7	Very high	91.5	Very high	45 Å²	45	78.2 Å²	78.2	21%	0.21	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.2	-175.6	-53.7	-58.7	136.4	0	0	114.4	M50 K162 L200 D201	M50-E52 HydrophobicContact CE-CB 3.55Å; M50-E52 HydrophobicContact CE-CG 4.19Å; M50-E52 HydrophobicContact SD-CB 4.19Å; M50-E52 HydrophobicContact SD-CG 4.2Å; E52-K162 WeakPolarHBondContact O-CE 3.3Å; E52-L200 HydrophobicContact CB-CD2 4.35Å; E52-D201 HydrophobicContact CG-CB 3.89Å; E52-D201 PolarHBondContact OE2-N 3.28Å
53	D	97.9	Very high	92.9	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	8.5	177	65.7	-33.2	0	0	0	112.6	R47 M50 K51 H125 R158 H161	R47-D53 IonicContact CZ-OD1 2.71Å; R47-D53 IonicContact CZ-OD2 3.89Å; R47-D53 VanDerWaalsContact CZ-OD2 3.29Å; R47-D53 IonicContact NH1-OD1 2.74Å; R47-D53 IonicContact NH1-OD2 3.74Å; R47-D53 PolarHBondContact NH1-OD2 3.42Å; R47-D53 VanDerWaalsContact NH2-CG 3.26Å; R47-D53 IonicContact NH2-OD1 3.43Å; R47-D53 PolarHBondContact NH2-OD1 2.98Å; R47-D53 IonicContact NH2-OD2 2.66Å; R47-D53 PolarHBondContact NH2-OD2 2.94Å; R47-D53 VanDerWaalsContact NH2-OD2 3.1Å; M50-D53 HydrophobicContact CE-CB 4.29Å; K51-D53 PolarHBondContact O-N 2.86Å; D53-H125 IonicContact OD2-CE1 2.74Å; D53-H125 IonicContact OD2-CG 3.7Å; D53-H125 IonicContact OD2-ND1 3.91Å; D53-H125 PolarHBondContact OD2-ND1 3.08Å; D53-R158 HydrophobicContact CB-CG 4.49Å; D53-H161 HydrophobicContact CB-CB 4.08Å; D53-H161 WeakPolarHBondContact O-CB 3.5Å
54	I	97.8	Very high	94.1	Very high	69 Å²	69	79 Å²	79	35%	0.354	41%	0.407	S	S	.	.	S	Bend	trans	-79.1	126.5	170.9	-57.4	-57.8	0	0	0	108.3	K51 D56 P305 Y306	K51-I54 HydrophobicContact CB-CG1 4.36Å; K51-I54 PolarHBondContact O-N 3.04Å; I54-D56 PolarHBondContact O-N 2.92Å; I54-P305 HydrophobicContact CD1-CG 4.03Å; I54-Y306 HydrophobicContact CD1-CD1 3.93Å; I54-Y306 HydrophobicContact CD1-CE1 4.15Å
55	Y	97.4	Very high	94.4	Very high	98 Å²	98	78.9 Å²	78.9	38%	0.384	42%	0.417	S	S	.	.			trans	-55	130.9	177.3	178.8	-115.2	0	0	0	111.5	P57 H161	Y55-P57 HydrophobicContact CD1-CB 4.34Å; Y55-P57 HydrophobicContact CE1-CB 3.79Å; Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.48Å; Y55-H161 WeakPolarHBondContact CA-O 3.22Å; Y55-H161 WeakPolarHBondContact CD2-O 3.29Å
56	D	97	Very high	94.5	Very high	37 Å²	37	77.9 Å²	77.9	20%	0.198	42%	0.416	C	S	.	.			trans	-107.2	94.1	178.7	179.5	7.7	0	0	0	110	I54 T58 Y59 K162	I54-D56 PolarHBondContact O-N 2.92Å; D56-T58 PolarHBondContact O-N 2.87Å; D56-T58 VanDerWaalsContact O-N 3.14Å; D56-T58 WeakPolarHBondContact OD1-CB 3.45Å; D56-T58 PolarHBondContact OD1-N 3.28Å; D56-T58 PolarHBondContact OD1-OG1 3.23Å; D56-T58 PolarHBondContact OD2-OG1 3.43Å; D56-Y59 PolarHBondContact O-N 2.82Å; D56-K162 HydrophobicContact CB-CG 3.8Å; D56-K162 PolarHBondContact N-O 2.94Å
57	P	94.6	Very high	94.4	Very high	82 Å²	82	79.1 Å²	79.1	53%	0.532	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.9	179.6	29.8	-36.3	0	0	0	113.4	Y55	Y55-P57 HydrophobicContact CD1-CB 4.34Å; Y55-P57 HydrophobicContact CE1-CB 3.79Å; Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.48Å
58	T	95.7	Very high	94.3	Very high	119 Å²	119	87.9 Å²	87.9	73%	0.73	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.3	-178.5	74.8	0	0	0	0	112.4	D56	D56-T58 PolarHBondContact O-N 2.87Å; D56-T58 VanDerWaalsContact O-N 3.14Å; D56-T58 WeakPolarHBondContact OD1-CB 3.45Å; D56-T58 PolarHBondContact OD1-N 3.28Å; D56-T58 PolarHBondContact OD1-OG1 3.23Å; D56-T58 PolarHBondContact OD2-OG1 3.43Å
59	Y	96.3	Very high	94.4	Very high	41 Å²	41	87.6 Å²	87.6	16%	0.161	46%	0.459	C	S	.	.			trans	-86.2	128.1	176.8	-178.8	-100.6	0	0	0	110.9	D56 F163 T166 A168 K196	D56-Y59 PolarHBondContact O-N 2.82Å; Y59-F163 HydrophobicContact CD1-CB 4.02Å; 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 4.09Å; Y59-F163 HydrophobicContact CE1-CB 4.31Å; Y59-F163 HydrophobicContact CE1-CD1 4.28Å; Y59-F163 HydrophobicContact CE1-CG 4.48Å; Y59-F163 AromaticContact CG-CD1 3.79Å; Y59-F163 HydrophobicContact CG-CD1 3.79Å; Y59-F163 HydrophobicContact CG-CE1 4.24Å; Y59-T166 HydrophobicContact CD1-CG2 3.99Å; Y59-T166 HydrophobicContact CE1-CG2 4.14Å; Y59-T166 WeakPolarHBondContact CE1-OG1 3.39Å; Y59-A168 HydrophobicContact CE1-CB 3.69Å; Y59-K196 HydrophobicContact CD2-CD 4.18Å; Y59-K196 HydrophobicContact CE2-CD 3.68Å; Y59-K196 HydrophobicContact CE2-CG 4.1Å
60	Q	94.5	Very high	94.6	Very high	150 Å²	150	89.2 Å²	89.2	70%	0.701	47%	0.466	S	S	*	.			trans	-134.3	160.1	174.6	-62.9	-176.8	-2.9	0	0	109
61	D	96	Very high	94.6	Very high	38 Å²	38	95.4 Å²	95.4	20%	0.203	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-62.5	136.5	174.3	-67.6	-41.2	0	0	0	110.7	T166 H167 R174	D61-T166 WeakPolarHBondContact OD1-CB 3.49Å; D61-H167 WeakPolarHBondContact OD1-CB 3.43Å; D61-H167 IonicContact OD1-CG 2.63Å; D61-H167 VanDerWaalsContact OD1-CG 3.28Å; D61-H167 PolarHBondContact OD1-N 3.11Å; D61-H167 IonicContact OD1-ND1 2.73Å; D61-H167 PolarHBondContact OD1-ND1 2.56Å; D61-H167 IonicContact OD2-CG 3.45Å; D61-H167 PolarHBondContact OD2-N 2.89Å; D61-R174 IonicContact OD2-NH1 2.8Å; D61-R174 PolarHBondContact OD2-NH1 3.46Å
62	E	88.4	Confident	94.7	Very high	169 Å²	169	91.4 Å²	91.4	79%	0.79	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59	145.2	173.2	-64.5	-179.7	170.8	0	0	110.9	G64	E62-G64 PolarHBondContact O-N 3.5Å
63	E	80.7	Confident	94.7	Very high	204 Å²	204	97.1 Å²	97.1	95%	0.953	49%	0.494	S	S	*	.	S	Bend	trans	-64.5	123.2	174.2	-67.5	-172.9	177.6	0	0	110.3
64	G	87.8	Confident	94.7	Very high	54 Å²	54	105.7 Å²	105.7	56%	0.557	53%	0.527	S	S	*	.	S	Bend	trans	149.6	164.9	177.7	0	0	0	0	0	112.6	E62	E62-G64 PolarHBondContact O-N 3.5Å
65	P	90.9	Very high	94.7	Very high	128 Å²	128	103.7 Å²	103.7	83%	0.831	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-69.3	132.5	175.6	28.7	-32.7	0	0	0	109.9
66	P	93.1	Very high	94.8	Very high	68 Å²	68	101.1 Å²	101.1	44%	0.442	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-63.7	150.3	172.5	24.8	-31.8	0	0	0	111.1
67	P	93.9	Very high	94.9	Very high	73 Å²	73	104 Å²	104	47%	0.474	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-60.8	149.7	171.9	27.5	-34.6	0	0	0	110.8	H190	P67-H190 VanDerWaalsContact CD-NE2 3.34Å; P67-H190 WeakPolarHBondContact CD-NE2 3.39Å
68	K	96.2	Very high	95.1	Very high	187 Å²	187	104.6 Å²	104.6	81%	0.813	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-60.4	149.8	172.8	68.6	-179.5	-178.3	-178.8	0	110.7
69	L	97.6	Very high	95.2	Very high	72 Å²	72	100.2 Å²	100.2	38%	0.377	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-69.9	133.8	177.3	-63.7	-179	0	0	0	111.1	Y71 F179 V187	L69-Y71 HydrophobicContact CB-CD1 4.35Å; L69-Y71 HydrophobicContact CB-CE1 3.97Å; L69-F179 HydrophobicContact CD1-CD2 4.48Å; L69-F179 HydrophobicContact CD2-CE2 4.25Å; L69-V187 HydrophobicContact CB-CG1 4.21Å; L69-V187 HydrophobicContact CD1-CG1 4.38Å; L69-V187 HydrophobicContact CD2-CG2 4.22Å
70	E	98.2	Very high	95.3	Very high	124 Å²	124	100.9 Å²	100.9	58%	0.579	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-100.2	116.5	172.8	-68	-178.2	-177.9	0	0	110.3	V187 R188	E70-V187 CarbonylContact O-C 3.44Å; E70-V187 WeakPolarHBondContact O-CA 3.27Å; E70-V187 WeakPolarHBondContact O-CB 3.43Å; E70-R188 HydrophobicContact CB-CB 4.12Å; E70-R188 HydrophobicContact CB-CG 3.83Å; E70-R188 PolarHBondContact O-N 3.35Å
71	Y	98.5	Very high	95.5	Very high	141 Å²	141	98.9 Å²	98.9	55%	0.553	50%	0.501	S	S	*	.	B	Isolated β-bridge	trans	-78.1	140.3	-174	-62.8	-7.8	0	0	0	112.5	L69 W73 I76 V187	L69-Y71 HydrophobicContact CB-CD1 4.35Å; L69-Y71 HydrophobicContact CB-CE1 3.97Å; Y71-W73 HydrophobicContact CD2-CH2 4.36Å; Y71-W73 HydrophobicContact CD2-CZ2 4Å; Y71-I76 HydrophobicContact CG-CD1 4.37Å; Y71-V187 HydrophobicContact CD1-CG1 3.7Å; Y71-V187 HydrophobicContact CE1-CG1 4.15Å
72	V	98.5	Very high	95.6	Very high	20 Å²	20	98 Å²	98	12%	0.121	50%	0.496	C	S	.	.			trans	-106	83	175.1	-172.4	0	0	0	0	108.3	R74 N75 I76 L186 R188	V72-R74 PolarHBondContact O-N 2.93Å; V72-R74 VanDerWaalsContact O-N 3.11Å; V72-N75 HydrophobicContact CB-CB 4.31Å; V72-N75 HydrophobicContact CG1-CB 4.18Å; V72-N75 WeakPolarHBondContact O-CA 3.19Å; V72-N75 WeakPolarHBondContact O-CB 3.47Å; V72-N75 PolarHBondContact O-N 2.93Å; V72-I76 PolarHBondContact O-N 3.42Å; V72-L186 PolarHBondContact N-O 2.83Å; V72-R188 HydrophobicContact CG2-CG 4.14Å
73	W	98.4	Very high	96.1	Very high	165 Å²	165	92.4 Å²	92.4	63%	0.625	47%	0.47	S	S	*	.	H	α-helix	trans	-53.6	-35.2	-172.4	-72.9	110.4	0	0	0	114.9	Y71 N75 I76 I77	Y71-W73 HydrophobicContact CD2-CH2 4.36Å; Y71-W73 HydrophobicContact CD2-CZ2 4Å; W73-N75 VanDerWaalsContact C-N 3.3Å; W73-N75 PolarHBondContact O-N 3.49Å; W73-I76 HydrophobicContact CD2-CD1 4.25Å; W73-I76 HydrophobicContact CE3-CB 4.37Å; W73-I76 HydrophobicContact CE3-CD1 3.83Å; W73-I76 HydrophobicContact CE3-CG2 4.32Å; W73-I76 HydrophobicContact CZ3-CD1 4.12Å; W73-I76 HydrophobicContact CZ3-CG2 4.4Å; W73-I76 PolarHBondContact O-N 2.9Å; W73-I77 VanDerWaalsContact O-CG1 3.31Å; W73-I77 WeakPolarHBondContact O-CG1 3.41Å; W73-I77 PolarHBondContact O-N 3.37Å
74	R	98.3	Very high	97	Very high	181 Å²	181	87.2 Å²	87.2	68%	0.683	45%	0.452	S	S	*	.	H	α-helix	trans	-55.9	-45.5	172.7	177.9	-177.7	172.1	179.1	1.2	111.8	V72 L78	V72-R74 PolarHBondContact O-N 2.93Å; V72-R74 VanDerWaalsContact O-N 3.11Å; R74-L78 HydrophobicContact CG-CD1 3.99Å; R74-L78 WeakPolarHBondContact O-CB 3.31Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.35Å; R74-L78 PolarHBondContact O-N 3.29Å
75	N	97.9	Very high	97.5	Very high	27 Å²	27	85 Å²	85	14%	0.144	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-41.2	-178.9	-62.3	0	0	0	0	110.6	M1 V72 W73 I77 L78 M79 L185 L186	M1-N75 PolarHBondContact SD-ND2 2.92Å; V72-N75 HydrophobicContact CB-CB 4.31Å; V72-N75 HydrophobicContact CG1-CB 4.18Å; V72-N75 WeakPolarHBondContact O-CA 3.19Å; V72-N75 WeakPolarHBondContact O-CB 3.47Å; V72-N75 PolarHBondContact O-N 2.93Å; W73-N75 VanDerWaalsContact C-N 3.3Å; W73-N75 PolarHBondContact O-N 3.49Å; N75-I77 PolarHBondContact O-N 2.97Å; N75-L78 PolarHBondContact O-N 3.05Å; N75-M79 WeakPolarHBondContact O-CB 3.3Å; N75-M79 PolarHBondContact O-N 2.99Å; N75-L185 PolarHBondContact ND2-O 3.34Å; N75-L186 HydrophobicContact CB-CD2 4.22Å
76	I	98.6	Very high	97.9	Very high	44 Å²	44	79.2 Å²	79.2	23%	0.226	39%	0.391	C	S	.	.	H	α-helix	trans	-56.8	-51	176.4	-64.5	170.9	0	0	0	110.3	Y71 V72 W73 M79 A80 L186	Y71-I76 HydrophobicContact CG-CD1 4.37Å; V72-I76 PolarHBondContact O-N 3.42Å; W73-I76 HydrophobicContact CD2-CD1 4.25Å; W73-I76 HydrophobicContact CE3-CB 4.37Å; W73-I76 HydrophobicContact CE3-CD1 3.83Å; W73-I76 HydrophobicContact CE3-CG2 4.32Å; W73-I76 HydrophobicContact CZ3-CD1 4.12Å; W73-I76 HydrophobicContact CZ3-CG2 4.4Å; W73-I76 PolarHBondContact O-N 2.9Å; I76-M79 PolarHBondContact O-N 3.47Å; I76-A80 WeakPolarHBondContact O-CB 3.49Å; I76-A80 PolarHBondContact O-N 2.76Å; I76-L186 HydrophobicContact CG1-CB 3.83Å; I76-L186 HydrophobicContact CG1-CD1 4.34Å; I76-L186 HydrophobicContact CG1-CD2 4.25Å; I76-L186 HydrophobicContact CG1-CG 4.35Å
77	I	98.6	Very high	98.1	Very high	97 Å²	97	81.3 Å²	81.3	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-50.1	-179.7	-66.7	165.2	0	0	0	110.8	W73 N75 M79 A80 L81	W73-I77 VanDerWaalsContact O-CG1 3.31Å; W73-I77 WeakPolarHBondContact O-CG1 3.41Å; W73-I77 PolarHBondContact O-N 3.37Å; N75-I77 PolarHBondContact O-N 2.97Å; I77-M79 VanDerWaalsContact C-N 3.3Å; I77-M79 PolarHBondContact O-N 2.87Å; I77-A80 PolarHBondContact O-N 3.29Å; I77-L81 HydrophobicContact CG2-CD1 3.94Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CG 3.16Å; I77-L81 PolarHBondContact O-N 2.86Å
78	L	98.4	Very high	98.4	Very high	94 Å²	94	82.8 Å²	82.8	49%	0.492	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-37.2	-179.2	-68.8	176.8	0	0	0	112.3	R74 N75 L82	R74-L78 HydrophobicContact CG-CD1 3.99Å; R74-L78 WeakPolarHBondContact O-CB 3.31Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.35Å; R74-L78 PolarHBondContact O-N 3.29Å; N75-L78 PolarHBondContact O-N 3.05Å; L78-L82 WeakPolarHBondContact O-CB 3.18Å; L78-L82 PolarHBondContact O-N 2.84Å
79	M	98.5	Very high	98.5	Very high	28 Å²	28	73.9 Å²	73.9	14%	0.138	36%	0.357	C	S	.	.	H	α-helix	trans	-68.3	-41.9	177.7	-163.8	60	79.8	0	0	111.7	N75 I76 I77 L82 H83 V182 L185 L186 W262	N75-M79 WeakPolarHBondContact O-CB 3.3Å; N75-M79 PolarHBondContact O-N 2.99Å; I76-M79 PolarHBondContact O-N 3.47Å; I77-M79 VanDerWaalsContact C-N 3.3Å; I77-M79 PolarHBondContact O-N 2.87Å; M79-L82 PolarHBondContact O-N 2.87Å; M79-L82 HydrophobicContact SD-CD2 4.22Å; M79-H83 PolarHBondContact O-N 3.16Å; M79-H83 VanDerWaalsContact O-N 3.11Å; M79-H83 PolarHBondContact O-ND1 3.5Å; M79-H83 PolarHBondContact SD-CE1 3.29Å; M79-V182 HydrophobicContact CE-CG2 4.25Å; M79-V182 HydrophobicContact CG-CG2 4.1Å; M79-L185 HydrophobicContact CE-CD1 4.28Å; M79-L186 HydrophobicContact CB-CD2 3.99Å; M79-L186 HydrophobicContact CG-CD2 4.33Å; M79-W262 HydrophobicContact CE-CH2 3.59Å; M79-W262 HydrophobicContact CE-CZ2 3.83Å; M79-W262 HydrophobicContact SD-CH2 3.58Å; M79-W262 VanDerWaalsContact SD-CH2 3.58Å; M79-W262 HydrophobicContact SD-CZ2 4.38Å; M79-W262 HydrophobicContact SD-CZ3 4.48Å
80	A	98.6	Very high	98.5	Very high	54 Å²	54	74.9 Å²	74.9	45%	0.446	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-47.8	174.5	0	0	0	0	0	111.3	I76 I77 L82 H83 V84	I76-A80 WeakPolarHBondContact O-CB 3.49Å; I76-A80 PolarHBondContact O-N 2.76Å; I77-A80 PolarHBondContact O-N 3.29Å; A80-L82 PolarHBondContact O-N 3.21Å; A80-H83 PolarHBondContact O-N 2.58Å; A80-V84 WeakPolarHBondContact O-CB 3.42Å; A80-V84 VanDerWaalsContact O-CG2 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.46Å; A80-V84 PolarHBondContact O-N 2.8Å
81	L	98.7	Very high	98.5	Very high	109 Å²	109	73.4 Å²	73.4	57%	0.571	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-41.5	178.3	-69.4	175.7	0	0	0	112.6	I77 H83 G85	I77-L81 HydrophobicContact CG2-CD1 3.94Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CG 3.16Å; I77-L81 PolarHBondContact O-N 2.86Å; L81-H83 PolarHBondContact O-N 3.28Å; L81-G85 PolarHBondContact O-N 3.35Å
82	L	98.7	Very high	98.5	Very high	20 Å²	20	67.7 Å²	67.7	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-48.8	174.6	171.9	61.8	0	0	0	111.3	L78 M79 A80 G85 A86 L251 Y254 A255 L258	L78-L82 WeakPolarHBondContact O-CB 3.18Å; L78-L82 PolarHBondContact O-N 2.84Å; M79-L82 PolarHBondContact O-N 2.87Å; M79-L82 HydrophobicContact SD-CD2 4.22Å; A80-L82 PolarHBondContact O-N 3.21Å; L82-G85 PolarHBondContact O-N 3.33Å; L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 3.25Å; L82-L251 HydrophobicContact CD1-CB 4.32Å; L82-L251 HydrophobicContact CD1-CD2 3.95Å; L82-Y254 HydrophobicContact CD1-CD1 3.75Å; L82-Y254 HydrophobicContact CD1-CE1 4.39Å; L82-Y254 HydrophobicContact CD2-CD1 3.73Å; L82-Y254 HydrophobicContact CD2-CE1 3.66Å; L82-Y254 HydrophobicContact CG-CD1 4.42Å; L82-A255 HydrophobicContact CD1-CB 4.47Å; L82-A255 HydrophobicContact CG-CB 4.36Å; L82-L258 HydrophobicContact CD2-CD1 3.62Å
83	H	98.7	Very high	98.5	Very high	51 Å²	51	69.3 Å²	69.3	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-36.1	-176.4	-73	78.7	0	0	0	112.4	M79 A80 L81 G85 A86 L87 N259 W262	M79-H83 PolarHBondContact O-N 3.16Å; M79-H83 VanDerWaalsContact O-N 3.11Å; M79-H83 PolarHBondContact O-ND1 3.5Å; M79-H83 PolarHBondContact SD-CE1 3.29Å; A80-H83 PolarHBondContact O-N 2.58Å; L81-H83 PolarHBondContact O-N 3.28Å; H83-G85 VanDerWaalsContact C-N 3.33Å; H83-A86 PolarHBondContact O-N 3.19Å; H83-L87 WeakPolarHBondContact O-CB 3.27Å; H83-L87 VanDerWaalsContact O-CG 3.27Å; H83-L87 WeakPolarHBondContact O-CG 3.46Å; H83-L87 PolarHBondContact O-N 3.13Å; H83-N259 PolarHBondContact NE2-ND2 3.43Å; H83-W262 AromaticContact CE1-CZ3 3.94Å; H83-W262 AromaticContact NE2-CZ3 3.97Å
84	V	98.7	Very high	98.5	Very high	95 Å²	95	67.2 Å²	67.2	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-44.8	170.7	170.7	0	0	0	0	110.4	A80 L87 Y88	A80-V84 WeakPolarHBondContact O-CB 3.42Å; A80-V84 VanDerWaalsContact O-CG2 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.46Å; A80-V84 PolarHBondContact O-N 2.8Å; V84-L87 PolarHBondContact O-N 3.03Å; V84-Y88 PolarHBondContact O-N 3.09Å
85	G	98.7	Very high	98.5	Very high	7 Å²	7	62 Å²	62	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.5	0	0	0	0	0	112.8	L81 L82 H83 Y88 G89 Y247	L81-G85 PolarHBondContact O-N 3.35Å; L82-G85 PolarHBondContact O-N 3.33Å; H83-G85 VanDerWaalsContact C-N 3.33Å; G85-Y88 PolarHBondContact O-N 2.9Å; G85-G89 PolarHBondContact O-N 2.91Å; G85-Y247 VanDerWaalsContact O-CD1 3.31Å; G85-Y247 WeakPolarHBondContact O-CD1 3.47Å
86	A	98.7	Very high	98.6	Very high	6 Å²	6	61.6 Å²	61.6	5%	0.05	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-44.5	175.7	0	0	0	0	0	112.2	L82 H83 Y88 G89 I90 L252 A255	L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 3.25Å; H83-A86 PolarHBondContact O-N 3.19Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 2.84Å; A86-G89 CarbonylContact O-C 3.56Å; A86-G89 WeakPolarHBondContact O-CA 3.35Å; A86-G89 PolarHBondContact O-N 3.47Å; A86-I90 PolarHBondContact O-N 3.39Å; A86-L252 HydrophobicContact CB-CB 4.43Å; A86-L252 HydrophobicContact CB-CD1 4.17Å; A86-A255 HydrophobicContact CB-CB 3.51Å
87	L	98.7	Very high	98.5	Very high	113 Å²	113	64.2 Å²	64.2	59%	0.592	36%	0.358	S	S	*	.	H	α-helix	trans	-60.6	-42.1	175.5	-72.4	173.3	0	0	0	111.6	H83 V84 G89 I90	H83-L87 WeakPolarHBondContact O-CB 3.27Å; H83-L87 VanDerWaalsContact O-CG 3.27Å; H83-L87 WeakPolarHBondContact O-CG 3.46Å; H83-L87 PolarHBondContact O-N 3.13Å; V84-L87 PolarHBondContact O-N 3.03Å; L87-G89 VanDerWaalsContact C-N 3.32Å; L87-I90 HydrophobicContact CD2-CD1 4.17Å; L87-I90 WeakPolarHBondContact O-CB 3.28Å; L87-I90 PolarHBondContact O-N 3Å
88	Y	98.7	Very high	98.5	Very high	103 Å²	103	65.5 Å²	65.5	40%	0.404	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-42	171.5	-177.7	-119.3	0	0	0	111.5	V84 G85 A86 I90 T91 L92 L243 Y247	V84-Y88 PolarHBondContact O-N 3.09Å; G85-Y88 PolarHBondContact O-N 2.9Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 2.84Å; Y88-I90 VanDerWaalsContact C-N 3.27Å; Y88-I90 PolarHBondContact O-N 2.98Å; Y88-T91 WeakPolarHBondContact O-CB 3.2Å; Y88-T91 PolarHBondContact O-N 2.9Å; Y88-T91 PolarHBondContact O-OG1 2.85Å; Y88-L92 HydrophobicContact CD1-CD1 4.05Å; Y88-L92 HydrophobicContact CE1-CD1 3.68Å; Y88-L92 HydrophobicContact CE1-CG 4.29Å; Y88-L92 PolarHBondContact O-N 3.37Å; Y88-L243 HydrophobicContact CE1-CD1 4.45Å; Y88-Y247 AromaticContact CD1-CD1 3.73Å; Y88-Y247 HydrophobicContact CD1-CD1 3.73Å; Y88-Y247 AromaticContact CD1-CD2 3.97Å; Y88-Y247 HydrophobicContact CD1-CD2 3.97Å; Y88-Y247 AromaticContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE2 4.05Å; Y88-Y247 AromaticContact CD1-CG 3.8Å; Y88-Y247 HydrophobicContact CD1-CG 3.8Å; Y88-Y247 AromaticContact CD1-CZ 3.95Å; Y88-Y247 HydrophobicContact CE1-CD2 4.02Å; Y88-Y247 HydrophobicContact CE1-CE2 4.03Å; Y88-Y247 HydrophobicContact CE1-CG 4.29Å
89	G	98.7	Very high	98.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-53.8	-39.2	173.1	0	0	0	0	0	113.6	G85 A86 L87 T91 L92 V93 V248	G85-G89 PolarHBondContact O-N 2.91Å; A86-G89 CarbonylContact O-C 3.56Å; A86-G89 WeakPolarHBondContact O-CA 3.35Å; A86-G89 PolarHBondContact O-N 3.47Å; L87-G89 VanDerWaalsContact C-N 3.32Å; G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 2.75Å; G89-L92 WeakPolarHBondContact O-CB 3.44Å; G89-L92 PolarHBondContact O-N 3.34Å; G89-V93 WeakPolarHBondContact O-CG2 3.38Å; G89-V93 PolarHBondContact O-N 3.32Å; G89-V248 WeakPolarHBondContact O-CG2 3.49Å
90	I	98.5	Very high	98.5	Very high	93 Å²	93	67 Å²	67	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-57.6	-42.3	176	-63.8	173.8	0	0	0	110.8	A86 L87 Y88 L92 V93 L252	A86-I90 PolarHBondContact O-N 3.39Å; L87-I90 HydrophobicContact CD2-CD1 4.17Å; L87-I90 WeakPolarHBondContact O-CB 3.28Å; L87-I90 PolarHBondContact O-N 3Å; Y88-I90 VanDerWaalsContact C-N 3.27Å; Y88-I90 PolarHBondContact O-N 2.98Å; I90-L92 PolarHBondContact O-N 2.88Å; I90-V93 PolarHBondContact O-N 3.12Å; I90-L252 HydrophobicContact CD1-CD1 4.26Å; I90-L252 HydrophobicContact CG1-CD1 3.69Å; I90-L252 HydrophobicContact CG1-CD2 3.96Å; I90-L252 HydrophobicContact CG1-CG 4.49Å
91	T	98.5	Very high	98.5	Very high	94 Å²	94	66.7 Å²	66.7	58%	0.577	36%	0.357	S	S	*	.	H	α-helix	trans	-66.5	-23	178.7	72.7	0	0	0	0	113.3	Y88 G89	Y88-T91 WeakPolarHBondContact O-CB 3.2Å; Y88-T91 PolarHBondContact O-N 2.9Å; Y88-T91 PolarHBondContact O-OG1 2.85Å; G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 2.75Å
92	L	98.5	Very high	98.5	Very high	21 Å²	21	65.7 Å²	65.7	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-87.7	-19.2	178.6	-64.4	176.8	0	0	0	113.4	Y88 G89 I90 P94 S95 C96 L243 Y247 V248	Y88-L92 HydrophobicContact CD1-CD1 4.05Å; Y88-L92 HydrophobicContact CE1-CD1 3.68Å; Y88-L92 HydrophobicContact CE1-CG 4.29Å; Y88-L92 PolarHBondContact O-N 3.37Å; G89-L92 WeakPolarHBondContact O-CB 3.44Å; G89-L92 PolarHBondContact O-N 3.34Å; I90-L92 PolarHBondContact O-N 2.88Å; L92-P94 VanDerWaalsContact C-CD 3.47Å; L92-P94 VanDerWaalsContact C-N 3.35Å; L92-S95 WeakPolarHBondContact O-CA 3.44Å; L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.26Å; L92-S95 PolarHBondContact O-OG 2.98Å; L92-C96 PolarHBondContact O-N 2.93Å; L92-L243 HydrophobicContact CD1-CD2 4.21Å; L92-L243 HydrophobicContact CD1-CG 4.11Å; L92-L243 HydrophobicContact CD2-CD2 4.42Å; L92-Y247 HydrophobicContact CD1-CD2 4.39Å; L92-Y247 HydrophobicContact CD1-CG 4.37Å; L92-V248 HydrophobicContact CB-CG2 3.94Å
93	V	98.3	Very high	98.5	Very high	54 Å²	54	66.7 Å²	66.7	33%	0.327	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-50.8	-44.8	-177.2	173.5	0	0	0	0	113.2	G89 I90 S95 C96 V248 L252	G89-V93 WeakPolarHBondContact O-CG2 3.38Å; G89-V93 PolarHBondContact O-N 3.32Å; I90-V93 PolarHBondContact O-N 3.12Å; V93-S95 PolarHBondContact O-N 3.23Å; V93-S95 VanDerWaalsContact O-N 3.13Å; V93-C96 WeakPolarHBondContact O-CB 3.33Å; V93-C96 PolarHBondContact O-N 3.26Å; V93-C96 VanDerWaalsContact O-N 3.09Å; V93-V248 HydrophobicContact CG2-CG1 4.03Å; V93-V248 HydrophobicContact CG2-CG2 4.33Å; V93-L252 HydrophobicContact CG2-CD2 3.84Å
94	P	98.2	Very high	98.5	Very high	120 Å²	120	64.9 Å²	64.9	78%	0.779	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20	178.5	-23.9	35.8	0	0	0	114.5	L92	L92-P94 VanDerWaalsContact C-CD 3.47Å; L92-P94 VanDerWaalsContact C-N 3.35Å
95	S	98.2	Very high	98.5	Very high	71 Å²	71	66.3 Å²	66.3	50%	0.497	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-92.8	-8.4	178.1	77	0	0	0	0	113.9	L92 V93 N244	L92-S95 WeakPolarHBondContact O-CA 3.44Å; L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.26Å; L92-S95 PolarHBondContact O-OG 2.98Å; V93-S95 PolarHBondContact O-N 3.23Å; V93-S95 VanDerWaalsContact O-N 3.13Å; S95-N244 PolarHBondContact O-ND2 3.22Å; S95-N244 PolarHBondContact OG-ND2 3.49Å; S95-N244 VanDerWaalsContact OG-ND2 3.16Å
96	C	98.5	Very high	98.5	Very high	20 Å²	20	69.6 Å²	69.6	14%	0.135	37%	0.367	C	S	.	.	S	Bend	trans	-73.1	148.3	-179.3	-73.8	0	0	0	0	112	L92 V93 T100 E240	L92-C96 PolarHBondContact O-N 2.93Å; V93-C96 WeakPolarHBondContact O-CB 3.33Å; V93-C96 PolarHBondContact O-N 3.26Å; V93-C96 VanDerWaalsContact O-N 3.09Å; C96-T100 HydrophobicContact CB-CG2 4.34Å; C96-E240 WeakPolarHBondContact CA-OE2 3.42Å
97	K	98.4	Very high	98.5	Very high	99 Å²	99	69.9 Å²	69.9	43%	0.43	37%	0.367	S	S	.	.			trans	-66	148.9	166.5	-62.8	175	-175.8	-63	0	109.8	Y99 T100 C101 W238 G239 E240	K97-Y99 VanDerWaalsContact C-N 3.26Å; K97-Y99 PolarHBondContact O-N 3.31Å; K97-T100 VanDerWaalsContact O-CB 3.28Å; K97-T100 WeakPolarHBondContact O-CB 3.45Å; K97-T100 PolarHBondContact O-N 2.8Å; K97-C101 PolarHBondContact O-N 3.45Å; K97-W238 VanDerWaalsContact CD-O 3.27Å; K97-W238 WeakPolarHBondContact CD-O 2.95Å; K97-W238 WeakPolarHBondContact CE-O 3.33Å; K97-G239 VanDerWaalsContact CE-C 3.45Å; K97-G239 WeakPolarHBondContact CE-O 3.43Å; K97-E240 HydrophobicContact CD-CB 4.45Å; K97-E240 PolarHBondContact N-OE2 3Å
98	L	98.3	Very high	98.5	Very high	124 Å²	124	65.7 Å²	65.7	65%	0.649	34%	0.343	S	S	*	.	H	α-helix	trans	-53.4	-42.2	178.6	178.5	62	0	0	0	112.6	T100 C101 L102	L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.18Å; L98-C101 PolarHBondContact O-N 3.27Å; L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 HydrophobicContact CG-CG 4.37Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.88Å
99	Y	98.6	Very high	98.5	Very high	152 Å²	152	62 Å²	62	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-28.9	178.2	-64.4	-25.5	0	0	0	113.3	K97 L102 F103 W238	K97-Y99 VanDerWaalsContact C-N 3.26Å; K97-Y99 PolarHBondContact O-N 3.31Å; Y99-L102 HydrophobicContact CD1-CD1 4.34Å; Y99-F103 WeakPolarHBondContact O-CB 3.48Å; Y99-F103 PolarHBondContact O-N 2.97Å; Y99-W238 HydrophobicContact CD2-CB 3.93Å; Y99-W238 HydrophobicContact CD2-CG 4.15Å; Y99-W238 WeakPolarHBondContact O-CZ2 3.41Å
100	T	98.7	Very high	98.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-45	173.5	-53.1	0	0	0	0	111.1	C96 K97 L98 F103 A104 P234 W238 E240 A249	C96-T100 HydrophobicContact CB-CG2 4.34Å; K97-T100 VanDerWaalsContact O-CB 3.28Å; K97-T100 WeakPolarHBondContact O-CB 3.45Å; K97-T100 PolarHBondContact O-N 2.8Å; L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.18Å; T100-F103 PolarHBondContact O-N 3.32Å; T100-A104 VanDerWaalsContact O-CB 3.29Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.25Å; T100-P234 HydrophobicContact CG2-CB 4.46Å; T100-W238 PolarHBondContact OG1-NE1 2.95Å; T100-E240 WeakPolarHBondContact CB-OE2 3.23Å; T100-E240 HydrophobicContact CG2-CG 4.06Å; T100-E240 VanDerWaalsContact OG1-CG 3.29Å; T100-E240 WeakPolarHBondContact OG1-CG 3.46Å; T100-E240 PolarHBondContact OG1-OE2 3.47Å; T100-A249 HydrophobicContact CG2-CB 4.16Å
101	C	98.5	Very high	98.5	Very high	48 Å²	48	59.8 Å²	59.8	32%	0.324	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-44.6	177.2	-62.2	0	0	0	0	111.7	K97 L98 A104 F105	K97-C101 PolarHBondContact O-N 3.45Å; L98-C101 PolarHBondContact O-N 3.27Å; C101-A104 PolarHBondContact O-N 3.28Å; C101-F105 WeakPolarHBondContact O-CB 3.49Å; C101-F105 PolarHBondContact O-N 3.37Å
102	L	98.5	Very high	98.5	Very high	89 Å²	89	55.5 Å²	55.5	47%	0.466	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176.6	-69.6	175.9	0	0	0	111.9	L98 Y99 F105 V106	L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 HydrophobicContact CG-CG 4.37Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.88Å; Y99-L102 HydrophobicContact CD1-CD1 4.34Å; L102-F105 PolarHBondContact O-N 3.13Å; L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 3.4Å
103	F	98.8	Very high	98.5	Very high	41 Å²	41	54.7 Å²	54.7	18%	0.18	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.7	176.2	-98.3	0	0	0	111.4	Y99 T100 F105 V106 Y107 P230 V233 P234 W238 A249	Y99-F103 WeakPolarHBondContact O-CB 3.48Å; Y99-F103 PolarHBondContact O-N 2.97Å; T100-F103 PolarHBondContact O-N 3.32Å; F103-F105 VanDerWaalsContact C-N 3.28Å; F103-F105 PolarHBondContact O-N 3.48Å; F103-V106 PolarHBondContact O-N 3.04Å; F103-Y107 AromaticContact CE1-CD2 3.83Å; F103-Y107 HydrophobicContact CE1-CD2 3.83Å; F103-Y107 HydrophobicContact CE1-CE2 4.34Å; F103-Y107 AromaticContact CE2-CD2 3.9Å; F103-Y107 HydrophobicContact CE2-CD2 3.9Å; F103-Y107 HydrophobicContact CE2-CE2 4.29Å; F103-Y107 AromaticContact CZ-CD2 3.41Å; F103-Y107 HydrophobicContact CZ-CD2 3.41Å; F103-Y107 VanDerWaalsContact CZ-CD2 3.41Å; F103-Y107 AromaticContact CZ-CE2 3.66Å; F103-Y107 HydrophobicContact CZ-CE2 3.66Å; F103-Y107 WeakPolarHBondContact O-CB 3.43Å; F103-Y107 PolarHBondContact O-N 3.16Å; F103-P230 HydrophobicContact CE1-CB 4.01Å; F103-P230 HydrophobicContact CZ-CB 4.45Å; F103-V233 HydrophobicContact CD2-CG1 4.14Å; F103-V233 HydrophobicContact CE2-CB 4.16Å; F103-V233 HydrophobicContact CE2-CG1 3.58Å; F103-V233 HydrophobicContact CZ-CB 3.87Å; F103-V233 HydrophobicContact CZ-CG1 3.82Å; F103-V233 HydrophobicContact CZ-CG2 4.47Å; F103-P234 HydrophobicContact CD1-CG 3.75Å; F103-P234 HydrophobicContact CE1-CG 3.92Å; F103-P234 HydrophobicContact CG-CG 4.5Å; F103-W238 HydrophobicContact CB-CH2 3.51Å; F103-W238 HydrophobicContact CB-CZ2 3.67Å; F103-W238 HydrophobicContact CD1-CH2 4.19Å; F103-W238 HydrophobicContact CD1-CZ2 4.41Å; F103-W238 AromaticContact CD2-CH2 3.73Å; F103-W238 HydrophobicContact CD2-CH2 3.73Å; F103-W238 HydrophobicContact CE2-CH2 4.48Å; F103-W238 AromaticContact CG-CH2 3.54Å; F103-W238 HydrophobicContact CG-CH2 3.54Å; F103-W238 HydrophobicContact CG-CZ2 4.01Å; F103-A249 HydrophobicContact CD1-CB 4.25Å
104	A	98.6	Very high	98.6	Very high	13 Å²	13	52.1 Å²	52.1	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-41.7	177	0	0	0	0	0	111.7	T100 C101 Y107 Y108 A249 R253	T100-A104 VanDerWaalsContact O-CB 3.29Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.25Å; C101-A104 PolarHBondContact O-N 3.28Å; A104-Y107 PolarHBondContact O-N 3.46Å; A104-Y108 WeakPolarHBondContact O-CB 3.37Å; A104-Y108 PolarHBondContact O-N 3.49Å; A104-A249 HydrophobicContact CB-CB 4.38Å; A104-R253 HydrophobicContact CB-CB 4.41Å; A104-R253 HydrophobicContact CB-CG 4.44Å; A104-R253 WeakPolarHBondContact O-CG 3.19Å
105	F	98.5	Very high	98.6	Very high	124 Å²	124	46.8 Å²	46.8	54%	0.544	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-45.2	176	179.6	-104.7	0	0	0	112.8	C101 L102 F103 Y107 Y108 V109	C101-F105 WeakPolarHBondContact O-CB 3.49Å; C101-F105 PolarHBondContact O-N 3.37Å; L102-F105 PolarHBondContact O-N 3.13Å; F103-F105 VanDerWaalsContact C-N 3.28Å; F103-F105 PolarHBondContact O-N 3.48Å; F105-Y107 VanDerWaalsContact C-N 3.32Å; F105-Y107 PolarHBondContact O-N 3.14Å; F105-Y108 VanDerWaalsContact O-CB 3.3Å; F105-Y108 WeakPolarHBondContact O-CB 3.36Å; F105-Y108 PolarHBondContact O-N 3.03Å; F105-V109 HydrophobicContact CD1-CG2 4.45Å; F105-V109 HydrophobicContact CE1-CG2 4.01Å; F105-V109 HydrophobicContact CE2-CG2 4.27Å; F105-V109 HydrophobicContact CZ-CG2 3.92Å; F105-V109 WeakPolarHBondContact O-CG2 3.16Å; F105-V109 PolarHBondContact O-N 3.16Å
106	V	98.6	Very high	98.6	Very high	77 Å²	77	43.5 Å²	43.5	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-62.8	-41.7	175.8	170.8	0	0	0	0	110.8	L102 F103 Y108 V109 I110	L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 3.4Å; F103-V106 PolarHBondContact O-N 3.04Å; V106-Y108 VanDerWaalsContact C-N 3.3Å; V106-Y108 PolarHBondContact O-N 2.81Å; V106-V109 PolarHBondContact O-N 2.87Å; V106-I110 HydrophobicContact CG1-CD1 3.78Å; V106-I110 HydrophobicContact CG1-CG1 4.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.33Å; V106-I110 PolarHBondContact O-N 2.88Å
107	Y	98.6	Very high	98.6	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-36.3	176.7	-137.6	-81.1	0	0	0	112.2	F103 A104 F105 S111 M144 M225 P230	F103-Y107 AromaticContact CE1-CD2 3.83Å; F103-Y107 HydrophobicContact CE1-CD2 3.83Å; F103-Y107 HydrophobicContact CE1-CE2 4.34Å; F103-Y107 AromaticContact CE2-CD2 3.9Å; F103-Y107 HydrophobicContact CE2-CD2 3.9Å; F103-Y107 HydrophobicContact CE2-CE2 4.29Å; F103-Y107 AromaticContact CZ-CD2 3.41Å; F103-Y107 HydrophobicContact CZ-CD2 3.41Å; F103-Y107 VanDerWaalsContact CZ-CD2 3.41Å; F103-Y107 AromaticContact CZ-CE2 3.66Å; F103-Y107 HydrophobicContact CZ-CE2 3.66Å; F103-Y107 WeakPolarHBondContact O-CB 3.43Å; F103-Y107 PolarHBondContact O-N 3.16Å; A104-Y107 PolarHBondContact O-N 3.46Å; F105-Y107 VanDerWaalsContact C-N 3.32Å; F105-Y107 PolarHBondContact O-N 3.14Å; Y107-S111 VanDerWaalsContact O-CB 3.28Å; Y107-S111 WeakPolarHBondContact O-CB 3.34Å; Y107-S111 PolarHBondContact O-N 2.87Å; Y107-S111 PolarHBondContact O-OG 3.2Å; Y107-M144 HydrophobicContact CD1-CB 4.35Å; Y107-M144 HydrophobicContact CD1-CG 4.48Å; Y107-M144 HydrophobicContact CD1-SD 4.12Å; Y107-M144 HydrophobicContact CE1-CB 3.7Å; Y107-M144 HydrophobicContact CE1-CG 3.59Å; Y107-M144 HydrophobicContact CE1-SD 3.62Å; Y107-M144 HydrophobicContact CE2-SD 4.44Å; Y107-M225 WeakPolarHBondContact CE1-O 3.15Å; Y107-M225 PolarHBondContact OH-O 3.39Å; Y107-P230 HydrophobicContact CD2-CB 4.42Å; Y107-P230 HydrophobicContact CE1-CB 4.26Å; Y107-P230 HydrophobicContact CE1-CG 4.29Å; Y107-P230 HydrophobicContact CE2-CB 4.18Å
108	Y	98.7	Very high	98.6	Very high	24 Å²	24	37.8 Å²	37.8	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-53.5	171.1	171.3	-90.6	0	0	0	111	A104 F105 V106 I110 S111 I112 V256 V257 A260 G291 M293	A104-Y108 WeakPolarHBondContact O-CB 3.37Å; A104-Y108 PolarHBondContact O-N 3.49Å; F105-Y108 VanDerWaalsContact O-CB 3.3Å; F105-Y108 WeakPolarHBondContact O-CB 3.36Å; F105-Y108 PolarHBondContact O-N 3.03Å; V106-Y108 VanDerWaalsContact C-N 3.3Å; V106-Y108 PolarHBondContact O-N 2.81Å; Y108-I110 PolarHBondContact O-N 3.18Å; Y108-S111 PolarHBondContact O-N 3.33Å; Y108-I112 HydrophobicContact CD1-CG1 4.33Å; Y108-I112 HydrophobicContact CD2-CG1 4.4Å; Y108-I112 HydrophobicContact CE1-CG1 3.93Å; Y108-I112 HydrophobicContact CE2-CD1 4.21Å; Y108-I112 HydrophobicContact CE2-CG1 3.99Å; Y108-I112 WeakPolarHBondContact O-CG1 3.32Å; Y108-I112 PolarHBondContact O-N 3.38Å; Y108-V256 HydrophobicContact CD2-CG1 4.06Å; Y108-V256 HydrophobicContact CE2-CB 4.46Å; Y108-V256 HydrophobicContact CE2-CG1 3.67Å; Y108-V257 HydrophobicContact CD2-CB 4.41Å; Y108-V257 HydrophobicContact CD2-CG2 3.43Å; Y108-V257 VanDerWaalsContact CD2-CG2 3.43Å; Y108-V257 HydrophobicContact CE2-CB 4.5Å; Y108-V257 HydrophobicContact CE2-CG2 3.92Å; Y108-V257 HydrophobicContact CG-CG2 4.29Å; Y108-A260 HydrophobicContact CE2-CB 4.36Å; Y108-A260 VanDerWaalsContact OH-CB 3.27Å; Y108-A260 WeakPolarHBondContact OH-CB 3.39Å; Y108-G291 PolarHBondContact OH-O 2.67Å; Y108-M293 HydrophobicContact CD1-CE 4.22Å; Y108-M293 HydrophobicContact CE1-CE 3.7Å
109	V	98.6	Very high	98.7	Very high	25 Å²	25	31.9 Å²	31.9	15%	0.152	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-48.3	-179.9	174.4	0	0	0	0	111.2	F105 V106 S111 I112 E113 M293 F319	F105-V109 HydrophobicContact CD1-CG2 4.45Å; F105-V109 HydrophobicContact CE1-CG2 4.01Å; F105-V109 HydrophobicContact CE2-CG2 4.27Å; F105-V109 HydrophobicContact CZ-CG2 3.92Å; F105-V109 WeakPolarHBondContact O-CG2 3.16Å; F105-V109 PolarHBondContact O-N 3.16Å; V106-V109 PolarHBondContact O-N 2.87Å; V109-S111 VanDerWaalsContact C-N 3.32Å; V109-S111 PolarHBondContact O-N 2.94Å; V109-I112 PolarHBondContact O-N 3.21Å; V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 3.02Å; V109-M293 HydrophobicContact CG2-CE 3.93Å; V109-F319 HydrophobicContact CG1-CD1 4.33Å; V109-F319 HydrophobicContact CG1-CE1 3.65Å; V109-F319 HydrophobicContact CG1-CZ 4.29Å
110	I	98.7	Very high	98.7	Very high	46 Å²	46	25.1 Å²	25.1	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178.7	-66	169.2	0	0	0	110.7	V106 Y108 I112 E113 G114 F137 A141 M144	V106-I110 HydrophobicContact CG1-CD1 3.78Å; V106-I110 HydrophobicContact CG1-CG1 4.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.33Å; V106-I110 PolarHBondContact O-N 2.88Å; Y108-I110 PolarHBondContact O-N 3.18Å; I110-I112 PolarHBondContact O-N 3.46Å; I110-E113 PolarHBondContact O-N 3.3Å; I110-G114 PolarHBondContact O-N 3.39Å; I110-F137 HydrophobicContact CG2-CE2 4.28Å; I110-F137 HydrophobicContact CG2-CZ 4.15Å; I110-A141 HydrophobicContact CG2-CB 3.75Å; I110-A141 WeakPolarHBondContact O-CB 3.35Å; I110-M144 HydrophobicContact CB-SD 4.41Å; I110-M144 HydrophobicContact CG2-CE 4.22Å; I110-M144 HydrophobicContact CG2-SD 3.6Å; I110-M144 VanDerWaalsContact CG2-SD 3.6Å
111	S	98.8	Very high	98.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-43.6	178.9	-59.1	0	0	0	0	111.8	Y107 Y108 V109 G114 I115 M144	Y107-S111 VanDerWaalsContact O-CB 3.28Å; Y107-S111 WeakPolarHBondContact O-CB 3.34Å; Y107-S111 PolarHBondContact O-N 2.87Å; Y107-S111 PolarHBondContact O-OG 3.2Å; Y108-S111 PolarHBondContact O-N 3.33Å; V109-S111 VanDerWaalsContact C-N 3.32Å; V109-S111 PolarHBondContact O-N 2.94Å; S111-G114 PolarHBondContact O-N 2.85Å; S111-I115 PolarHBondContact O-N 3.38Å; S111-M144 WeakPolarHBondContact OG-CB 3.48Å
112	I	98.5	Very high	98.7	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-41	176.6	-66.6	-69	0	0	0	110.9	Y108 V109 I110 G114 I115 G116 V257 A260 S292 M293	Y108-I112 HydrophobicContact CD1-CG1 4.33Å; Y108-I112 HydrophobicContact CD2-CG1 4.4Å; Y108-I112 HydrophobicContact CE1-CG1 3.93Å; Y108-I112 HydrophobicContact CE2-CD1 4.21Å; Y108-I112 HydrophobicContact CE2-CG1 3.99Å; Y108-I112 WeakPolarHBondContact O-CG1 3.32Å; Y108-I112 PolarHBondContact O-N 3.38Å; V109-I112 PolarHBondContact O-N 3.21Å; I110-I112 PolarHBondContact O-N 3.46Å; I112-G114 VanDerWaalsContact C-N 3.3Å; I112-G114 PolarHBondContact O-N 3.19Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 CarbonylContact O-C 3.1Å; I112-I115 WeakPolarHBondContact O-CA 3.38Å; I112-I115 WeakPolarHBondContact O-CB 3.15Å; I112-I115 PolarHBondContact O-N 3.18Å; I112-G116 PolarHBondContact O-N 2.85Å; I112-V257 HydrophobicContact CD1-CG1 4.06Å; I112-A260 HydrophobicContact CD1-CB 4.43Å; I112-S292 WeakPolarHBondContact CG2-O 3.35Å; I112-M293 HydrophobicContact CB-CG 4.26Å; I112-M293 HydrophobicContact CG2-CB 3.68Å; I112-M293 HydrophobicContact CG2-CG 3.56Å
113	E	98.6	Very high	98.7	Very high	3 Å²	3	19 Å²	19	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-32.8	175	-71.8	-56.1	132	0	0	112.8	V109 I110 I115 A117 G118 F319 T320 F323	V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 3.02Å; I110-E113 PolarHBondContact O-N 3.3Å; E113-I115 PolarHBondContact O-N 3.48Å; E113-A117 WeakPolarHBondContact O-CA 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.26Å; E113-A117 PolarHBondContact O-N 3.5Å; E113-A117 WeakPolarHBondContact OE2-CB 3.32Å; E113-G118 PolarHBondContact O-N 3.48Å; E113-F319 HydrophobicContact CG-CD1 4.45Å; E113-F319 HydrophobicContact CG-CE1 4.21Å; E113-F319 WeakPolarHBondContact OE1-CD1 3.43Å; E113-T320 VanDerWaalsContact OE1-CA 3.29Å; E113-T320 WeakPolarHBondContact OE1-CA 3.32Å; E113-T320 PolarHBondContact OE1-OG1 3.27Å; E113-T320 WeakPolarHBondContact OE2-CA 3.48Å; E113-F323 WeakPolarHBondContact OE2-CD1 3.48Å
114	G	98.8	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-60.1	-25.6	168.8	0	0	0	0	0	113.4	I110 S111 I112 V119 N142	I110-G114 PolarHBondContact O-N 3.39Å; S111-G114 PolarHBondContact O-N 2.85Å; I112-G114 VanDerWaalsContact C-N 3.3Å; I112-G114 PolarHBondContact O-N 3.19Å; G114-V119 PolarHBondContact O-N 3.06Å; G114-N142 WeakPolarHBondContact O-CB 3.21Å; G114-N142 PolarHBondContact O-ND2 2.89Å
115	I	98.7	Very high	98.7	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.046	8%	0.082	C	C	.	.	I	π-helix	trans	-86.6	-65.6	172.8	-56.8	164.4	0	0	0	110	S111 I112 E113 G118 V119 H120 A145 Q147 W153 V257 T261	S111-I115 PolarHBondContact O-N 3.38Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 CarbonylContact O-C 3.1Å; I112-I115 WeakPolarHBondContact O-CA 3.38Å; I112-I115 WeakPolarHBondContact O-CB 3.15Å; I112-I115 PolarHBondContact O-N 3.18Å; E113-I115 PolarHBondContact O-N 3.48Å; I115-G118 CarbonylContact O-C 3.6Å; I115-V119 HydrophobicContact CB-CG1 4.42Å; I115-V119 HydrophobicContact CG2-CG1 4.01Å; I115-V119 PolarHBondContact O-N 2.83Å; I115-V119 VanDerWaalsContact O-N 3.09Å; I115-H120 VanDerWaalsContact O-CB 3.26Å; I115-H120 WeakPolarHBondContact O-CB 3.4Å; I115-H120 PolarHBondContact O-N 3.23Å; I115-A145 HydrophobicContact CD1-CB 3.86Å; I115-A145 HydrophobicContact CG1-CB 3.83Å; I115-Q147 VanDerWaalsContact CD1-CD 3.49Å; I115-Q147 HydrophobicContact CD1-CG 4.3Å; I115-W153 HydrophobicContact CG2-CZ2 4.03Å; I115-V257 HydrophobicContact CD1-CG1 4.15Å; I115-T261 WeakPolarHBondContact CD1-OG1 3.39Å; I115-T261 HydrophobicContact CG2-CG2 4.43Å
116	G	98.6	Very high	98.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.065	C	C	.	.	I	π-helix	trans	-61.3	-63.4	-173.6	0	0	0	0	0	113.2	I112 G118 R121 E295	I112-G116 PolarHBondContact O-N 2.85Å; G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 2.84Å; G116-R121 WeakPolarHBondContact O-CB 3.16Å; G116-R121 WeakPolarHBondContact O-CD 3.28Å; G116-R121 WeakPolarHBondContact O-CG 3.28Å; G116-R121 PolarHBondContact O-N 3.45Å; G116-R121 VanDerWaalsContact O-N 3.08Å; G116-E295 WeakPolarHBondContact CA-OE2 3.41Å
117	A	98.8	Very high	98.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-71.1	-29.7	179.3	0	0	0	0	0	112.5	E113 L122 Y128 L138 T320 F323 I324	E113-A117 WeakPolarHBondContact O-CA 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.26Å; E113-A117 PolarHBondContact O-N 3.5Å; E113-A117 WeakPolarHBondContact OE2-CB 3.32Å; A117-L122 WeakPolarHBondContact O-CB 3.09Å; A117-Y128 WeakPolarHBondContact O-CE1 3.15Å; A117-Y128 PolarHBondContact O-OH 2.84Å; A117-L138 HydrophobicContact CB-CD2 3.91Å; A117-T320 HydrophobicContact CB-CG2 3.87Å; A117-T320 VanDerWaalsContact N-CG2 3.31Å; A117-F323 HydrophobicContact CB-CD1 3.74Å; A117-F323 HydrophobicContact CB-CE1 3.84Å; A117-I324 HydrophobicContact CB-CD1 4.17Å; A117-I324 HydrophobicContact CB-CG1 3.95Å
118	G	98.9	Very high	98.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-85.9	-103.3	179.1	0	0	0	0	0	113.5	E113 I115 G116 H120 L122 W123	E113-G118 PolarHBondContact O-N 3.48Å; I115-G118 CarbonylContact O-C 3.6Å; G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 2.84Å; G118-H120 PolarHBondContact O-N 3.37Å; G118-H120 VanDerWaalsContact O-N 3.12Å; G118-L122 WeakPolarHBondContact O-CA 3.42Å; G118-L122 VanDerWaalsContact O-CB 3.23Å; G118-L122 WeakPolarHBondContact O-CB 3.47Å; G118-L122 PolarHBondContact O-N 2.98Å; G118-W123 PolarHBondContact O-N 3.26Å
119	V	98.8	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-56.7	-34.5	-166.4	78.4	0	0	0	0	113.7	G114 I115 W123 S124 V150 W153	G114-V119 PolarHBondContact O-N 3.06Å; I115-V119 HydrophobicContact CB-CG1 4.42Å; I115-V119 HydrophobicContact CG2-CG1 4.01Å; I115-V119 PolarHBondContact O-N 2.83Å; I115-V119 VanDerWaalsContact O-N 3.09Å; V119-W123 HydrophobicContact CB-CE3 4.46Å; V119-S124 VanDerWaalsContact O-CB 3.29Å; V119-S124 WeakPolarHBondContact O-CB 3.29Å; V119-S124 PolarHBondContact O-N 3.43Å; V119-S124 PolarHBondContact O-OG 3.16Å; V119-V150 HydrophobicContact CB-CG2 4.21Å; V119-V150 HydrophobicContact CG2-CB 4.09Å; V119-V150 HydrophobicContact CG2-CG1 4.1Å; V119-V150 HydrophobicContact CG2-CG2 3.9Å; V119-W153 HydrophobicContact CB-CD2 4.26Å; V119-W153 HydrophobicContact CB-CE3 4.17Å; V119-W153 HydrophobicContact CG1-CD2 3.48Å; V119-W153 VanDerWaalsContact CG1-CD2 3.48Å; V119-W153 HydrophobicContact CG1-CE3 3.64Å; V119-W153 HydrophobicContact CG1-CG 3.96Å; V119-W153 HydrophobicContact CG1-CH2 4.17Å; V119-W153 HydrophobicContact CG1-CZ2 4.02Å; V119-W153 HydrophobicContact CG1-CZ3 3.97Å; V119-W153 HydrophobicContact CG2-CB 3.67Å; V119-W153 HydrophobicContact CG2-CD2 3.72Å; V119-W153 HydrophobicContact CG2-CE3 3.58Å; V119-W153 HydrophobicContact CG2-CG 3.76Å; V119-W153 HydrophobicContact CG2-CZ3 4.46Å
120	H	98.9	Very high	98.8	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.046	5%	0.049	C	C	.	.	I	π-helix	trans	-74.7	-75.9	179	-176.4	-144.7	0	0	0	111.7	I115 G118 S124 H125 W153 H157 E295 H301	I115-H120 VanDerWaalsContact O-CB 3.26Å; I115-H120 WeakPolarHBondContact O-CB 3.4Å; I115-H120 PolarHBondContact O-N 3.23Å; G118-H120 PolarHBondContact O-N 3.37Å; G118-H120 VanDerWaalsContact O-N 3.12Å; H120-S124 VanDerWaalsContact O-CB 3.3Å; H120-S124 WeakPolarHBondContact O-CB 3.32Å; H120-S124 PolarHBondContact O-N 2.94Å; H120-H125 AromaticContact CD2-CD2 3.4Å; H120-H125 PolarHBondContact CD2-CD2 2.75Å; H120-H125 VanDerWaalsContact CD2-CD2 3.4Å; H120-H125 AromaticContact CD2-NE2 3.38Å; H120-H125 PolarHBondContact CD2-NE2 3.2Å; H120-H125 AromaticContact NE2-CD2 3.55Å; H120-H125 AromaticContact NE2-NE2 3.28Å; H120-H125 PolarHBondContact NE2-NE2 3.33Å; H120-H125 PolarHBondContact O-CD2 2.73Å; H120-H125 VanDerWaalsContact O-CD2 3.28Å; H120-H125 PolarHBondContact O-N 3.14Å; H120-W153 HydrophobicContact CB-CH2 3.87Å; H120-W153 HydrophobicContact CB-CZ3 4.17Å; H120-H157 AromaticContact CD2-CD2 3.72Å; H120-H157 AromaticContact CD2-CE1 3.8Å; H120-H157 AromaticContact CD2-NE2 3.16Å; H120-H157 PolarHBondContact CD2-NE2 3.38Å; H120-H157 AromaticContact NE2-CE1 3.82Å; H120-H157 AromaticContact NE2-NE2 3.24Å; H120-H157 PolarHBondContact NE2-NE2 3.04Å; H120-E295 IonicContact CE1-OE2 3.16Å; H120-E295 PolarHBondContact CE1-OE2 3.17Å; H120-E295 IonicContact CG-OE2 3.83Å; H120-E295 IonicContact ND1-OE2 2.66Å; H120-E295 PolarHBondContact ND1-OE2 3.03Å; H120-H301 AromaticContact CE1-CD2 3.99Å; H120-H301 AromaticContact CE1-CE1 3.58Å; H120-H301 AromaticContact CE1-NE2 3.47Å; H120-H301 PolarHBondContact CE1-NE2 3.48Å; H120-H301 AromaticContact NE2-CD2 3.78Å; H120-H301 AromaticContact NE2-CE1 3.2Å; H120-H301 PolarHBondContact NE2-CE1 3.18Å; H120-H301 AromaticContact NE2-NE2 2.9Å; H120-H301 PolarHBondContact NE2-NE2 2.96Å
121	R	98.8	Very high	98.8	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	6%	0.059	C	C	.	.	I	π-helix	trans	-72.9	-36.9	-169.4	-62.6	168.4	-178.4	-152.8	15.1	113.4	G116 R126 T127 Y128 E295 Y308 S309 N318 T320 T321	G116-R121 WeakPolarHBondContact O-CB 3.16Å; G116-R121 WeakPolarHBondContact O-CD 3.28Å; G116-R121 WeakPolarHBondContact O-CG 3.28Å; G116-R121 PolarHBondContact O-N 3.45Å; G116-R121 VanDerWaalsContact O-N 3.08Å; R121-R126 PolarHBondContact O-N 3.32Å; R121-T127 PolarHBondContact O-N 2.97Å; R121-T127 VanDerWaalsContact O-N 3.13Å; R121-T127 PolarHBondContact O-OG1 3.47Å; R121-Y128 HydrophobicContact CB-CE1 4.28Å; R121-E295 IonicContact CZ-OE1 2.62Å; R121-E295 IonicContact NE-OE1 3.61Å; R121-E295 PolarHBondContact NE-OE1 3.48Å; R121-E295 IonicContact NE-OE2 2.86Å; R121-E295 PolarHBondContact NE-OE2 3.2Å; R121-E295 IonicContact NH2-OE1 3.43Å; R121-E295 PolarHBondContact NH2-OE1 2.95Å; R121-Y308 WeakPolarHBondContact CD-O 3.45Å; R121-Y308 PolarHBondContact NH1-O 3.32Å; R121-S309 PolarHBondContact NH1-O 3.21Å; R121-S309 PolarHBondContact NH2-O 3.29Å; R121-N318 PolarHBondContact NH2-ND2 3.32Å; R121-N318 PolarHBondContact NH2-OD1 3.42Å; R121-T320 VanDerWaalsContact CZ-CG2 3.45Å; R121-T321 PolarHBondContact NH1-OG1 3.38Å
122	L	98.9	Very high	98.8	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.031	8%	0.083	C	C	.	.	I	π-helix	trans	-82.3	-54.4	-177.6	179.1	61.2	0	0	0	112.7	A117 G118 R126 Y128 A130 R135 L138	A117-L122 WeakPolarHBondContact O-CB 3.09Å; G118-L122 WeakPolarHBondContact O-CA 3.42Å; G118-L122 VanDerWaalsContact O-CB 3.23Å; G118-L122 WeakPolarHBondContact O-CB 3.47Å; G118-L122 PolarHBondContact O-N 2.98Å; L122-R126 VanDerWaalsContact O-CA 3.31Å; L122-R126 WeakPolarHBondContact O-CA 3.41Å; L122-R126 WeakPolarHBondContact O-CD 3.05Å; L122-R126 PolarHBondContact O-N 2.91Å; L122-Y128 HydrophobicContact CB-CD1 4.44Å; L122-Y128 HydrophobicContact CB-CE1 3.58Å; L122-Y128 HydrophobicContact CD1-CD1 4.39Å; L122-Y128 HydrophobicContact CD1-CD2 4.38Å; L122-Y128 HydrophobicContact CD1-CE1 4.07Å; L122-Y128 HydrophobicContact CD1-CE2 4.07Å; L122-Y128 WeakPolarHBondContact CD1-O 3.21Å; L122-Y128 HydrophobicContact CG-CE1 4.35Å; L122-A130 HydrophobicContact CD1-CB 3.94Å; L122-A130 HydrophobicContact CD2-CB 3.84Å; L122-R135 HydrophobicContact CD2-CG 4.13Å; L122-L138 HydrophobicContact CD2-CD1 3.86Å
123	W	98.8	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-94.3	-38.7	-168.8	-71.8	-62	0	0	0	113.7	G118 V119 R135 L138 I139 V150 R158 L205 E208 V211	G118-W123 PolarHBondContact O-N 3.26Å; V119-W123 HydrophobicContact CB-CE3 4.46Å; W123-R135 HydrophobicContact CZ2-CB 4.48Å; W123-L138 HydrophobicContact CH2-CB 3.67Å; W123-L138 HydrophobicContact CZ3-CB 3.97Å; W123-I139 HydrophobicContact CH2-CB 4.1Å; W123-I139 HydrophobicContact CH2-CD1 3.88Å; W123-I139 HydrophobicContact CZ2-CD1 4.21Å; W123-I139 HydrophobicContact CZ3-CD1 4.24Å; W123-V150 HydrophobicContact CB-CG1 3.63Å; W123-V150 HydrophobicContact CD2-CG1 3.71Å; W123-V150 HydrophobicContact CD2-CG2 4.3Å; W123-V150 HydrophobicContact CE3-CB 4.5Å; W123-V150 HydrophobicContact CE3-CG1 3.89Å; W123-V150 HydrophobicContact CE3-CG2 3.71Å; W123-V150 HydrophobicContact CG-CG1 3.59Å; W123-V150 HydrophobicContact CZ3-CG2 3.93Å; W123-R158 PolarHBondContact O-NH2 2.98Å; W123-L205 HydrophobicContact CB-CD2 3.78Å; W123-L205 HydrophobicContact CG-CD2 4.06Å; W123-E208 VanDerWaalsContact NE1-CD 3.31Å; W123-E208 PolarHBondContact NE1-OE1 3.35Å; W123-E208 PolarHBondContact NE1-OE2 3.18Å; W123-V211 HydrophobicContact CD2-CG2 4.49Å; W123-V211 HydrophobicContact CG-CG2 4.39Å
124	S	98.8	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-73.8	-46.4	177.6	-55.7	0	0	0	0	111.3	M50 V119 H120 W153 A154 R158	M50-S124 WeakPolarHBondContact CE-O 3.34Å; V119-S124 VanDerWaalsContact O-CB 3.29Å; V119-S124 WeakPolarHBondContact O-CB 3.29Å; V119-S124 PolarHBondContact O-N 3.43Å; V119-S124 PolarHBondContact O-OG 3.16Å; H120-S124 VanDerWaalsContact O-CB 3.3Å; H120-S124 WeakPolarHBondContact O-CB 3.32Å; H120-S124 PolarHBondContact O-N 2.94Å; S124-W153 VanDerWaalsContact OG-CZ3 3.31Å; S124-W153 WeakPolarHBondContact OG-CZ3 3.18Å; S124-A154 VanDerWaalsContact OG-CA 3.26Å; S124-A154 WeakPolarHBondContact OG-CA 3.31Å; S124-A154 VanDerWaalsContact OG-CB 3.28Å; S124-A154 WeakPolarHBondContact OG-CB 3.31Å; S124-R158 PolarHBondContact O-NE 3.4Å; S124-R158 VanDerWaalsContact O-NE 3.13Å
125	H	98.7	Very high	98.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.117	C	C	.	.	S	Bend	trans	-106.5	-11.9	-172.3	-65.4	-66.1	0	0	0	116	R47 D53 H120 T127 H157 H161 H301 P305	R47-H125 WeakPolarHBondContact CD-O 3.27Å; R47-H125 PolarHBondContact NE-O 3.22Å; R47-H125 PolarHBondContact NH1-O 3.44Å; D53-H125 IonicContact OD2-CE1 2.74Å; D53-H125 IonicContact OD2-CG 3.7Å; D53-H125 IonicContact OD2-ND1 3.91Å; D53-H125 PolarHBondContact OD2-ND1 3.08Å; H120-H125 AromaticContact CD2-CD2 3.4Å; H120-H125 PolarHBondContact CD2-CD2 2.75Å; H120-H125 VanDerWaalsContact CD2-CD2 3.4Å; H120-H125 AromaticContact CD2-NE2 3.38Å; H120-H125 PolarHBondContact CD2-NE2 3.2Å; H120-H125 AromaticContact NE2-CD2 3.55Å; H120-H125 AromaticContact NE2-NE2 3.28Å; H120-H125 PolarHBondContact NE2-NE2 3.33Å; H120-H125 PolarHBondContact O-CD2 2.73Å; H120-H125 VanDerWaalsContact O-CD2 3.28Å; H120-H125 PolarHBondContact O-N 3.14Å; H125-T127 HydrophobicContact CB-CG2 3.52Å; H125-T127 PolarHBondContact O-N 3.11Å; H125-T127 VanDerWaalsContact O-N 3.13Å; H125-H157 AromaticContact CE1-CD2 3.76Å; H125-H157 AromaticContact CE1-NE2 3.68Å; H125-H157 AromaticContact NE2-CD2 3.19Å; H125-H157 PolarHBondContact NE2-CD2 3.35Å; H125-H157 AromaticContact NE2-NE2 2.94Å; H125-H157 PolarHBondContact NE2-NE2 3.01Å; H125-H161 AromaticContact CE1-CD2 3.49Å; H125-H161 PolarHBondContact CE1-CD2 3.09Å; H125-H161 VanDerWaalsContact CE1-CD2 3.49Å; H125-H161 AromaticContact CE1-CE1 3.62Å; H125-H161 AromaticContact CE1-CG 3.84Å; H125-H161 AromaticContact CE1-ND1 3.91Å; H125-H161 AromaticContact CE1-NE2 3.32Å; H125-H161 PolarHBondContact CE1-NE2 3.26Å; H125-H161 VanDerWaalsContact CE1-NE2 3.32Å; H125-H161 AromaticContact NE2-CD2 3.9Å; H125-H161 AromaticContact NE2-NE2 3.46Å; H125-H161 PolarHBondContact NE2-NE2 2.96Å; H125-H301 AromaticContact CD2-CE1 3.69Å; H125-H301 AromaticContact CE1-CE1 3.77Å; H125-H301 AromaticContact CE1-NE2 3.89Å; H125-H301 AromaticContact NE2-CE1 3.28Å; H125-H301 PolarHBondContact NE2-CE1 2.93Å; H125-H301 VanDerWaalsContact NE2-CE1 3.28Å; H125-H301 AromaticContact NE2-NE2 3.35Å; H125-H301 PolarHBondContact NE2-NE2 3.36Å; H125-P305 WeakPolarHBondContact CB-O 3.08Å; H125-P305 PolarHBondContact ND1-O 3.04Å
126	R	98.7	Very high	98.8	Very high	47 Å²	47	27.7 Å²	27.7	18%	0.177	13%	0.132	C	C	.	.			trans	51.6	39.2	179.8	-60	-68.8	-177.8	-175.5	11.1	113.7	M50 R121 L122 Y128 D204 L205 E208	M50-R126 HydrophobicContact CB-CB 4.13Å; M50-R126 HydrophobicContact CB-CG 4.27Å; M50-R126 HydrophobicContact CG-CB 4.36Å; M50-R126 HydrophobicContact CG-CG 4.27Å; R121-R126 PolarHBondContact O-N 3.32Å; L122-R126 VanDerWaalsContact O-CA 3.31Å; L122-R126 WeakPolarHBondContact O-CA 3.41Å; L122-R126 WeakPolarHBondContact O-CD 3.05Å; L122-R126 PolarHBondContact O-N 2.91Å; R126-Y128 VanDerWaalsContact C-N 3.3Å; R126-Y128 PolarHBondContact O-N 2.99Å; R126-D204 IonicContact CZ-OD2 2.7Å; R126-D204 VanDerWaalsContact CZ-OD2 3.23Å; R126-D204 IonicContact NE-OD2 3.69Å; R126-D204 PolarHBondContact NE-OD2 2.78Å; R126-D204 PolarHBondContact NH2-O 3.4Å; R126-D204 IonicContact NH2-OD2 2.67Å; R126-D204 PolarHBondContact NH2-OD2 2.93Å; R126-L205 VanDerWaalsContact NH2-CD2 3.33Å; R126-E208 IonicContact CZ-OE2 3.68Å; R126-E208 IonicContact NH1-OE2 3.36Å; R126-E208 PolarHBondContact NH1-OE2 3.34Å; R126-E208 IonicContact NH2-OE2 3.35Å; R126-E208 PolarHBondContact NH2-OE2 3.36Å
127	T	98.7	Very high	98.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.148	C	C	.	.			trans	-81.3	-12.2	-175.4	60.2	0	0	0	0	113.9	R121 H125 P305 Y306 Y308 K337	R121-T127 PolarHBondContact O-N 2.97Å; R121-T127 VanDerWaalsContact O-N 3.13Å; R121-T127 PolarHBondContact O-OG1 3.47Å; H125-T127 HydrophobicContact CB-CG2 3.52Å; H125-T127 PolarHBondContact O-N 3.11Å; H125-T127 VanDerWaalsContact O-N 3.13Å; T127-P305 WeakPolarHBondContact CG2-O 3.41Å; T127-Y306 VanDerWaalsContact CG2-C 3.5Å; T127-Y306 WeakPolarHBondContact CG2-O 3.07Å; T127-Y308 VanDerWaalsContact CB-CA 3.42Å; T127-Y308 VanDerWaalsContact OG1-CA 3.28Å; T127-Y308 WeakPolarHBondContact OG1-CA 3.42Å; T127-K337 WeakPolarHBondContact O-CB 3.41Å; T127-K337 WeakPolarHBondContact O-CG 3.41Å; T127-K337 PolarHBondContact O-N 3.49Å
128	Y	98.9	Very high	98.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	15%	0.148	C	C	.	.	S	Bend	trans	-151.1	169.7	171.8	76.5	-76.7	0	0	0	110.3	A117 R121 L122 R126 A130 L134 L138 I324 A333 D335	A117-Y128 WeakPolarHBondContact O-CE1 3.15Å; A117-Y128 PolarHBondContact O-OH 2.84Å; R121-Y128 HydrophobicContact CB-CE1 4.28Å; L122-Y128 HydrophobicContact CB-CD1 4.44Å; L122-Y128 HydrophobicContact CB-CE1 3.58Å; L122-Y128 HydrophobicContact CD1-CD1 4.39Å; L122-Y128 HydrophobicContact CD1-CD2 4.38Å; L122-Y128 HydrophobicContact CD1-CE1 4.07Å; L122-Y128 HydrophobicContact CD1-CE2 4.07Å; L122-Y128 WeakPolarHBondContact CD1-O 3.21Å; L122-Y128 HydrophobicContact CG-CE1 4.35Å; R126-Y128 VanDerWaalsContact C-N 3.3Å; R126-Y128 PolarHBondContact O-N 2.99Å; Y128-A130 HydrophobicContact CE2-CB 3.9Å; Y128-L134 HydrophobicContact CE2-CD2 4.22Å; Y128-L138 VanDerWaalsContact OH-CD1 3.31Å; Y128-L138 WeakPolarHBondContact OH-CD1 3.26Å; Y128-I324 HydrophobicContact CD1-CD1 4.47Å; Y128-I324 HydrophobicContact CD2-CG2 4.21Å; Y128-I324 HydrophobicContact CE1-CD1 4.05Å; Y128-I324 HydrophobicContact CE1-CG1 4.45Å; Y128-I324 HydrophobicContact CE2-CG2 4.3Å; Y128-I324 HydrophobicContact CG-CG2 4.36Å; Y128-A333 HydrophobicContact CD2-CB 3.89Å; Y128-A333 HydrophobicContact CE2-CB 4.01Å; Y128-D335 WeakPolarHBondContact CA-O 3.43Å
129	K	98.9	Very high	98.8	Very high	72 Å²	72	32 Å²	32	31%	0.313	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.5	175.1	-68.2	177.2	173.3	64	0	109.8	E49 A333 Y334 D335	E49-K129 IonicContact OE1-NZ 2.9Å; E49-K129 PolarHBondContact OE1-NZ 3.4Å; K129-A333 CarbonylContact O-C 3.6Å; K129-A333 VanDerWaalsContact O-CA 3.31Å; K129-A333 WeakPolarHBondContact O-CA 3.28Å; K129-Y334 HydrophobicContact CB-CD1 4.09Å; K129-Y334 HydrophobicContact CB-CD2 4.13Å; K129-Y334 HydrophobicContact CB-CE1 3.69Å; K129-Y334 HydrophobicContact CB-CE2 3.76Å; K129-Y334 HydrophobicContact CB-CG 4.29Å; K129-Y334 HydrophobicContact CD-CE2 3.73Å; K129-Y334 HydrophobicContact CG-CE2 4.35Å; K129-Y334 PolarHBondContact N-O 2.96Å; K129-Y334 PolarHBondContact O-N 2.84Å; K129-D335 HydrophobicContact CB-CB 4.41Å; K129-D335 HydrophobicContact CD-CB 4.14Å; K129-D335 HydrophobicContact CG-CB 4.24Å; K129-D335 IonicContact NZ-OD2 2.62Å; K129-D335 PolarHBondContact NZ-OD2 3.05Å
130	A	98.9	Very high	98.8	Very high	12 Å²	12	35.5 Å²	35.5	10%	0.099	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.1	-179.9	0	0	0	0	0	110.7	L122 Y128 L134 R135 L332	L122-A130 HydrophobicContact CD1-CB 3.94Å; L122-A130 HydrophobicContact CD2-CB 3.84Å; Y128-A130 HydrophobicContact CE2-CB 3.9Å; A130-L134 HydrophobicContact CB-CB 4.38Å; A130-L134 HydrophobicContact CB-CD2 3.8Å; A130-L134 HydrophobicContact CB-CG 4.13Å; A130-R135 HydrophobicContact CB-CG 3.64Å; A130-R135 WeakPolarHBondContact O-CD 3.42Å; A130-L332 WeakPolarHBondContact CA-O 3.49Å
131	R	98.8	Very high	98.8	Very high	119 Å²	119	35 Å²	35	45%	0.449	17%	0.167	S	C	.	.			trans	-74.9	165.2	171	-67.9	-172.2	171.8	72.6	3.2	110.6	P133 L134 R135 G331 L332 Y334	R131-P133 VanDerWaalsContact C-CD 3.49Å; R131-L134 PolarHBondContact O-N 3.39Å; R131-R135 WeakPolarHBondContact O-CG 3.47Å; R131-R135 PolarHBondContact O-N 2.93Å; R131-G331 VanDerWaalsContact CD-O 3.32Å; R131-G331 WeakPolarHBondContact CD-O 3.41Å; R131-G331 PolarHBondContact NH1-O 2.88Å; R131-L332 PolarHBondContact N-O 3.14Å; R131-Y334 HydrophobicContact CG-CE1 4.31Å
132	L	98.7	Very high	98.8	Very high	97 Å²	97	35 Å²	35	51%	0.508	17%	0.167	S	C	.	.	H	α-helix	trans	-54.1	-42.8	-174.3	-176	62.7	0	0	0	114.3	L134 R135 I136	L132-L134 PolarHBondContact O-N 3.48Å; L132-R135 PolarHBondContact O-N 3.44Å; L132-I136 HydrophobicContact CD1-CD1 4.01Å; 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 3.48Å; L132-I136 PolarHBondContact O-N 3.3Å
133	P	98.8	Very high	98.8	Very high	80 Å²	80	35.3 Å²	35.3	52%	0.519	17%	0.169	S	C	.	.	H	α-helix	trans	-59.5	-44.9	179.7	-24.9	35	0	0	0	113.1	R131 I136 F137 L332	R131-P133 VanDerWaalsContact C-CD 3.49Å; P133-I136 PolarHBondContact O-N 3.02Å; P133-F137 PolarHBondContact O-N 3.48Å; P133-L332 HydrophobicContact CB-CD2 4.12Å; P133-L332 HydrophobicContact CG-CD2 4.18Å
134	L	98.9	Very high	98.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-40.5	176.7	176.5	59.6	0	0	0	111.7	Y128 A130 R131 L132 I136 F137 L138 F323 M327 L332 A333	Y128-L134 HydrophobicContact CE2-CD2 4.22Å; A130-L134 HydrophobicContact CB-CB 4.38Å; A130-L134 HydrophobicContact CB-CD2 3.8Å; A130-L134 HydrophobicContact CB-CG 4.13Å; R131-L134 PolarHBondContact O-N 3.39Å; L132-L134 PolarHBondContact O-N 3.48Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.37Å; L134-F137 HydrophobicContact CD1-CD1 4.2Å; L134-F137 WeakPolarHBondContact O-CB 3.12Å; L134-F137 PolarHBondContact O-N 2.91Å; 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 3.48Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 2.84Å; L134-F323 HydrophobicContact CD1-CE1 4.07Å; L134-F323 HydrophobicContact CD1-CZ 3.8Å; L134-M327 HydrophobicContact CD1-CB 4.45Å; L134-M327 HydrophobicContact CD1-CG 3.75Å; L134-M327 HydrophobicContact CD1-SD 3.99Å; L134-M327 HydrophobicContact CD2-CB 3.85Å; L134-M327 HydrophobicContact CD2-CG 4.05Å; L134-L332 HydrophobicContact CB-CB 4.06Å; L134-L332 HydrophobicContact CD2-CB 4.4Å; L134-A333 HydrophobicContact CD2-CB 3.96Å
135	R	98.9	Very high	98.8	Very high	58 Å²	58	36.3 Å²	36.3	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-38.2	176.5	-72.9	168	56.7	-148.5	-5.4	112.2	L122 W123 A130 R131 L132 L138 I139 E208 L210	L122-R135 HydrophobicContact CD2-CG 4.13Å; W123-R135 HydrophobicContact CZ2-CB 4.48Å; A130-R135 HydrophobicContact CB-CG 3.64Å; A130-R135 WeakPolarHBondContact O-CD 3.42Å; R131-R135 WeakPolarHBondContact O-CG 3.47Å; R131-R135 PolarHBondContact O-N 2.93Å; L132-R135 PolarHBondContact O-N 3.44Å; R135-L138 PolarHBondContact O-N 3.38Å; R135-I139 WeakPolarHBondContact O-CB 3.46Å; R135-I139 PolarHBondContact O-N 3.05Å; R135-E208 IonicContact CZ-OE1 3.29Å; R135-E208 IonicContact NE-OE1 3.1Å; R135-E208 PolarHBondContact NE-OE1 2.74Å; R135-E208 IonicContact NH2-OE1 2.8Å; R135-E208 PolarHBondContact NH2-OE1 3.48Å; R135-L210 HydrophobicContact CB-CD2 3.74Å; R135-L210 WeakPolarHBondContact O-CD2 3.24Å
136	I	98.9	Very high	98.8	Very high	71 Å²	71	37.7 Å²	37.7	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-64.3	-45.6	173.4	-70.7	170.2	0	0	0	110.6	L132 P133 L134 L138 I139 I140 L210	L132-I136 HydrophobicContact CD1-CD1 4.01Å; 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 3.48Å; L132-I136 PolarHBondContact O-N 3.3Å; P133-I136 PolarHBondContact O-N 3.02Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.37Å; I136-L138 PolarHBondContact O-N 2.89Å; I136-I139 WeakPolarHBondContact O-CG2 3.28Å; I136-I140 HydrophobicContact CG2-CD1 3.81Å; I136-I140 WeakPolarHBondContact O-CB 3.23Å; I136-I140 WeakPolarHBondContact O-CD1 3.42Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.83Å; I136-L210 HydrophobicContact CG1-CD1 4.39Å; I136-L210 HydrophobicContact CG1-CD2 4.17Å
137	F	98.8	Very high	98.8	Very high	79 Å²	79	36.4 Å²	36.4	35%	0.346	18%	0.176	S	C	.	.	H	α-helix	trans	-57.5	-51.4	174.8	169.4	-97.4	0	0	0	111.4	I110 P133 L134 I139 I140 A141 F323	I110-F137 HydrophobicContact CG2-CE2 4.28Å; I110-F137 HydrophobicContact CG2-CZ 4.15Å; P133-F137 PolarHBondContact O-N 3.48Å; L134-F137 HydrophobicContact CD1-CD1 4.2Å; L134-F137 WeakPolarHBondContact O-CB 3.12Å; L134-F137 PolarHBondContact O-N 2.91Å; F137-I139 PolarHBondContact O-N 3.45Å; F137-I140 PolarHBondContact O-N 2.97Å; F137-A141 WeakPolarHBondContact O-CB 3.29Å; F137-A141 PolarHBondContact O-N 3.06Å; F137-F323 AromaticContact CD1-CZ 3.95Å; F137-F323 HydrophobicContact CD1-CZ 3.95Å; F137-F323 HydrophobicContact CE1-CE1 4.36Å; F137-F323 HydrophobicContact CE1-CE2 4.05Å; F137-F323 AromaticContact CE1-CZ 3.53Å; F137-F323 HydrophobicContact CE1-CZ 3.53Å; F137-F323 HydrophobicContact CZ-CZ 4.46Å
138	L	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-35.5	-176.5	-69.4	174	0	0	0	113	A117 L122 W123 Y128 L134 R135 I136 A141 N142 F323	A117-L138 HydrophobicContact CB-CD2 3.91Å; L122-L138 HydrophobicContact CD2-CD1 3.86Å; W123-L138 HydrophobicContact CH2-CB 3.67Å; W123-L138 HydrophobicContact CZ3-CB 3.97Å; Y128-L138 VanDerWaalsContact OH-CD1 3.31Å; Y128-L138 WeakPolarHBondContact OH-CD1 3.26Å; 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 3.48Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 2.84Å; R135-L138 PolarHBondContact O-N 3.38Å; I136-L138 PolarHBondContact O-N 2.89Å; L138-A141 PolarHBondContact O-N 3.27Å; L138-N142 VanDerWaalsContact O-CB 3.24Å; L138-N142 WeakPolarHBondContact O-CB 3.1Å; L138-N142 PolarHBondContact O-N 3.49Å; L138-F323 HydrophobicContact CD2-CE1 4.09Å
139	I	98.9	Very high	98.8	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-70.7	-36.2	178.4	-155.5	68.4	0	0	0	111.1	W123 R135 I136 F137 T143 V150 L210 Q214	W123-I139 HydrophobicContact CH2-CB 4.1Å; W123-I139 HydrophobicContact CH2-CD1 3.88Å; W123-I139 HydrophobicContact CZ2-CD1 4.21Å; W123-I139 HydrophobicContact CZ3-CD1 4.24Å; R135-I139 WeakPolarHBondContact O-CB 3.46Å; R135-I139 PolarHBondContact O-N 3.05Å; I136-I139 WeakPolarHBondContact O-CG2 3.28Å; F137-I139 PolarHBondContact O-N 3.45Å; I139-T143 WeakPolarHBondContact O-CB 3.28Å; I139-T143 PolarHBondContact O-N 3.49Å; I139-T143 VanDerWaalsContact O-N 3.07Å; I139-T143 PolarHBondContact O-OG1 3.19Å; I139-V150 HydrophobicContact CD1-CB 4.24Å; I139-V150 HydrophobicContact CD1-CG2 3.51Å; I139-L210 HydrophobicContact CB-CD2 4.25Å; I139-L210 HydrophobicContact CB-CG 4.36Å; I139-L210 HydrophobicContact CG1-CG 4.41Å; I139-L210 HydrophobicContact CG2-CD1 4.09Å; I139-L210 HydrophobicContact CG2-CD2 3.98Å; I139-L210 HydrophobicContact CG2-CG 4.02Å; I139-Q214 HydrophobicContact CD1-CB 3.76Å; I139-Q214 VanDerWaalsContact CD1-CD 3.46Å; I139-Q214 HydrophobicContact CD1-CG 3.93Å; I139-Q214 HydrophobicContact CG1-CB 3.57Å; I139-Q214 HydrophobicContact CG1-CG 3.73Å
140	I	98.8	Very high	98.8	Very high	74 Å²	74	33.9 Å²	33.9	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-67.8	-47.7	174.9	-70.1	168.9	0	0	0	109.6	I136 F137 N142 T143 M144 M225	I136-I140 HydrophobicContact CG2-CD1 3.81Å; I136-I140 WeakPolarHBondContact O-CB 3.23Å; I136-I140 WeakPolarHBondContact O-CD1 3.42Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.83Å; F137-I140 PolarHBondContact O-N 2.97Å; I140-N142 PolarHBondContact O-N 3.23Å; I140-T143 WeakPolarHBondContact O-CA 3.35Å; I140-T143 WeakPolarHBondContact O-CB 3.46Å; I140-T143 PolarHBondContact O-N 2.81Å; I140-T143 VanDerWaalsContact O-N 3.08Å; I140-M144 HydrophobicContact CG2-CE 3.9Å; I140-M144 WeakPolarHBondContact O-CG 3.31Å; I140-M144 PolarHBondContact O-N 3.42Å; I140-M225 HydrophobicContact CG2-CE 3.66Å
141	A	98.9	Very high	98.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-43.3	175.6	0	0	0	0	0	112.5	I110 F137 L138 T143 M144 A145	I110-A141 HydrophobicContact CG2-CB 3.75Å; I110-A141 WeakPolarHBondContact O-CB 3.35Å; F137-A141 WeakPolarHBondContact O-CB 3.29Å; F137-A141 PolarHBondContact O-N 3.06Å; L138-A141 PolarHBondContact O-N 3.27Å; A141-T143 VanDerWaalsContact C-N 3.28Å; A141-T143 PolarHBondContact O-N 3.14Å; A141-M144 VanDerWaalsContact O-CB 3.29Å; A141-M144 WeakPolarHBondContact O-CB 3.48Å; A141-M144 PolarHBondContact O-N 3.22Å; A141-A145 PolarHBondContact O-N 2.73Å
142	N	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-36.8	174.5	-179.2	-98.1	0	0	0	112.1	G114 L138 I140 M144 A145 F146 V150 Q214	G114-N142 WeakPolarHBondContact O-CB 3.21Å; G114-N142 PolarHBondContact O-ND2 2.89Å; L138-N142 VanDerWaalsContact O-CB 3.24Å; L138-N142 WeakPolarHBondContact O-CB 3.1Å; L138-N142 PolarHBondContact O-N 3.49Å; I140-N142 PolarHBondContact O-N 3.23Å; N142-M144 VanDerWaalsContact C-N 3.33Å; N142-M144 PolarHBondContact O-N 3Å; N142-A145 WeakPolarHBondContact O-CB 3.46Å; N142-A145 PolarHBondContact O-N 2.63Å; N142-A145 VanDerWaalsContact O-N 3.15Å; N142-F146 PolarHBondContact O-N 3.42Å; N142-V150 HydrophobicContact CB-CG2 4.47Å; N142-Q214 PolarHBondContact OD1-NE2 3.15Å
143	T	98.8	Very high	98.7	Very high	12 Å²	12	27.1 Å²	27.1	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-33.8	176.6	-51.6	0	0	0	0	111.6	I139 I140 A141 A145 Q214 I222 M225	I139-T143 WeakPolarHBondContact O-CB 3.28Å; I139-T143 PolarHBondContact O-N 3.49Å; I139-T143 VanDerWaalsContact O-N 3.07Å; I139-T143 PolarHBondContact O-OG1 3.19Å; I140-T143 WeakPolarHBondContact O-CA 3.35Å; I140-T143 WeakPolarHBondContact O-CB 3.46Å; I140-T143 PolarHBondContact O-N 2.81Å; I140-T143 VanDerWaalsContact O-N 3.08Å; A141-T143 VanDerWaalsContact C-N 3.28Å; A141-T143 PolarHBondContact O-N 3.14Å; T143-A145 VanDerWaalsContact C-N 3.28Å; T143-A145 PolarHBondContact O-N 2.95Å; T143-Q214 PolarHBondContact OG1-NE2 2.98Å; T143-I222 HydrophobicContact CG2-CG2 4.09Å; T143-M225 HydrophobicContact CG2-CB 4.21Å; T143-M225 HydrophobicContact CG2-CG 4.11Å
144	M	98.8	Very high	98.7	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-37.8	170.8	-62.8	172.6	-176	0	0	112.1	Y107 I110 S111 I140 A141 N142 F146 M225 C226	Y107-M144 HydrophobicContact CD1-CB 4.35Å; Y107-M144 HydrophobicContact CD1-CG 4.48Å; Y107-M144 HydrophobicContact CD1-SD 4.12Å; Y107-M144 HydrophobicContact CE1-CB 3.7Å; Y107-M144 HydrophobicContact CE1-CG 3.59Å; Y107-M144 HydrophobicContact CE1-SD 3.62Å; Y107-M144 HydrophobicContact CE2-SD 4.44Å; I110-M144 HydrophobicContact CB-SD 4.41Å; I110-M144 HydrophobicContact CG2-CE 4.22Å; I110-M144 HydrophobicContact CG2-SD 3.6Å; I110-M144 VanDerWaalsContact CG2-SD 3.6Å; S111-M144 WeakPolarHBondContact OG-CB 3.48Å; I140-M144 HydrophobicContact CG2-CE 3.9Å; I140-M144 WeakPolarHBondContact O-CG 3.31Å; I140-M144 PolarHBondContact O-N 3.42Å; A141-M144 VanDerWaalsContact O-CB 3.29Å; A141-M144 WeakPolarHBondContact O-CB 3.48Å; A141-M144 PolarHBondContact O-N 3.22Å; N142-M144 VanDerWaalsContact C-N 3.33Å; N142-M144 PolarHBondContact O-N 3Å; M144-F146 VanDerWaalsContact C-N 3.31Å; M144-F146 PolarHBondContact O-N 2.91Å; M144-M225 HydrophobicContact CE-CE 3.35Å; M144-M225 HydrophobicContact CG-CB 3.97Å; M144-M225 HydrophobicContact CG-CE 3.87Å; M144-M225 HydrophobicContact SD-CE 4.46Å; M144-C226 PolarHBondContact O-SG 3.4Å
145	A	98.7	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.6	-19.6	-175.1	0	0	0	0	0	114.3	I115 A141 N142 T143 Q147 Y254 V257	I115-A145 HydrophobicContact CD1-CB 3.86Å; I115-A145 HydrophobicContact CG1-CB 3.83Å; A141-A145 PolarHBondContact O-N 2.73Å; N142-A145 WeakPolarHBondContact O-CB 3.46Å; N142-A145 PolarHBondContact O-N 2.63Å; N142-A145 VanDerWaalsContact O-N 3.15Å; T143-A145 VanDerWaalsContact C-N 3.28Å; T143-A145 PolarHBondContact O-N 2.95Å; A145-Q147 WeakPolarHBondContact O-CG 3.17Å; A145-Q147 PolarHBondContact O-N 3.06Å; A145-Y254 VanDerWaalsContact O-CE2 3.31Å; A145-Y254 WeakPolarHBondContact O-CE2 3.32Å; A145-V257 HydrophobicContact CB-CG1 4.43Å
146	F	98.7	Very high	98.7	Very high	31 Å²	31	24.4 Å²	24.4	14%	0.136	11%	0.112	C	C	.	.			trans	45.2	60.6	175.5	-176.3	-154.9	0	0	0	114.6	M1 N142 M144 Y218 I222 C226 F227 Y254	M1-F146 VanDerWaalsContact N-CE2 3.33Å; N142-F146 PolarHBondContact O-N 3.42Å; M144-F146 VanDerWaalsContact C-N 3.31Å; M144-F146 PolarHBondContact O-N 2.91Å; F146-Y218 HydrophobicContact CD2-CE1 4.19Å; F146-Y218 HydrophobicContact CE2-CE1 4.31Å; F146-I222 HydrophobicContact CB-CG2 4.31Å; F146-I222 HydrophobicContact CD2-CB 4.06Å; F146-I222 HydrophobicContact CD2-CD1 3.67Å; F146-I222 HydrophobicContact CD2-CG1 4.45Å; F146-I222 HydrophobicContact CD2-CG2 3.74Å; F146-I222 HydrophobicContact CE1-CD1 4.22Å; F146-I222 HydrophobicContact CE2-CB 4.5Å; F146-I222 HydrophobicContact CE2-CD1 3.22Å; F146-I222 HydrophobicContact CE2-CG1 4.4Å; F146-I222 HydrophobicContact CE2-CG2 4.4Å; F146-I222 HydrophobicContact CG-CB 4.21Å; F146-I222 HydrophobicContact CG-CD1 4.35Å; F146-I222 HydrophobicContact CG-CG2 4.17Å; F146-I222 HydrophobicContact CZ-CD1 3.54Å; F146-C226 HydrophobicContact CB-CB 4.02Å; F146-F227 AromaticContact CD1-CE2 3.68Å; F146-F227 HydrophobicContact CD1-CE2 3.68Å; F146-F227 AromaticContact CD1-CZ 3.82Å; F146-F227 HydrophobicContact CD1-CZ 3.82Å; F146-F227 AromaticContact CE1-CE2 3.77Å; F146-F227 HydrophobicContact CE1-CE2 3.77Å; F146-F227 AromaticContact CE1-CZ 3.87Å; F146-F227 HydrophobicContact CE1-CZ 3.87Å; F146-Y254 HydrophobicContact CB-CE2 3.84Å; F146-Y254 AromaticContact CD1-CE1 3.77Å; F146-Y254 HydrophobicContact CD1-CE1 3.77Å; F146-Y254 HydrophobicContact CD1-CE2 4.19Å; F146-Y254 AromaticContact CD1-CZ 3.42Å; F146-Y254 VanDerWaalsContact CD1-CZ 3.42Å; F146-Y254 WeakPolarHBondContact CD1-OH 3.36Å; F146-Y254 HydrophobicContact CE1-CE1 4.3Å; F146-Y254 HydrophobicContact CG-CE2 4.36Å; F146-Y254 AromaticContact CG-CZ 3.93Å; F146-Y254 WeakPolarHBondContact CG-OH 3.32Å; F146-Y254 PolarHBondContact O-OH 2.86Å
147	Q	98.6	Very high	98.7	Very high	20 Å²	20	21.5 Å²	21.5	9%	0.093	10%	0.098	C	C	.	.	S	Bend	trans	-117.1	34.7	176.3	-58.4	-164.3	3.5	0	0	113.6	I115 A145 W153 Y218 L258 T261	I115-Q147 VanDerWaalsContact CD1-CD 3.49Å; I115-Q147 HydrophobicContact CD1-CG 4.3Å; A145-Q147 WeakPolarHBondContact O-CG 3.17Å; A145-Q147 PolarHBondContact O-N 3.06Å; Q147-W153 VanDerWaalsContact O-CD1 3.28Å; Q147-Y218 PolarHBondContact N-OH 3.22Å; Q147-L258 HydrophobicContact CG-CD2 3.93Å; Q147-T261 PolarHBondContact NE2-OG1 2.66Å
148	N	98	Very high	98.7	Very high	16 Å²	16	17.8 Å²	17.8	9%	0.086	8%	0.081	C	C	.	.	S	Bend	trans	76.2	162.2	-163.7	-47.5	-39.6	0	0	0	112.8	M1 E152 Y218	M1-N148 PolarHBondContact O-OD1 3.29Å; N148-E152 HydrophobicContact CB-CB 4.19Å; N148-E152 HydrophobicContact CB-CG 4.11Å; N148-Y218 WeakPolarHBondContact CA-OH 3.39Å; N148-Y218 PolarHBondContact N-OH 3.2Å; N148-Y218 PolarHBondContact O-OH 3.37Å
149	D	98.7	Very high	98.7	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.032	8%	0.082	C	C	.	.			trans	-68.8	157.9	178.9	63	94.9	0	0	0	111.2	Y151 E152 W153 R215 Y218	D149-Y151 PolarHBondContact O-N 3.43Å; D149-Y151 VanDerWaalsContact O-N 3.1Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.35Å; D149-Y151 PolarHBondContact OD1-N 3.45Å; D149-E152 PolarHBondContact O-N 3.4Å; D149-E152 PolarHBondContact OD1-N 3.34Å; D149-W153 PolarHBondContact O-N 3.46Å; D149-R215 HydrophobicContact CB-CB 4.32Å; D149-R215 WeakPolarHBondContact OD1-CG 3.11Å; D149-R215 IonicContact OD1-CZ 3.68Å; D149-R215 IonicContact OD1-NH1 3.85Å; D149-R215 PolarHBondContact OD1-NH1 2.98Å; D149-R215 IonicContact OD2-CZ 3.87Å; D149-R215 IonicContact OD2-NH1 3.44Å; D149-R215 PolarHBondContact OD2-NH1 3.16Å; D149-Y218 HydrophobicContact CB-CD1 4.45Å; D149-Y218 HydrophobicContact CB-CD2 3.63Å; D149-Y218 HydrophobicContact CB-CE2 3.95Å; D149-Y218 HydrophobicContact CB-CG 3.9Å
150	V	98.8	Very high	98.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-52.5	-38.4	-174.8	161.6	0	0	0	0	112.7	V119 W123 I139 N142 A154 V211	V119-V150 HydrophobicContact CB-CG2 4.21Å; V119-V150 HydrophobicContact CG2-CB 4.09Å; V119-V150 HydrophobicContact CG2-CG1 4.1Å; V119-V150 HydrophobicContact CG2-CG2 3.9Å; W123-V150 HydrophobicContact CB-CG1 3.63Å; W123-V150 HydrophobicContact CD2-CG1 3.71Å; W123-V150 HydrophobicContact CD2-CG2 4.3Å; W123-V150 HydrophobicContact CE3-CB 4.5Å; W123-V150 HydrophobicContact CE3-CG1 3.89Å; W123-V150 HydrophobicContact CE3-CG2 3.71Å; W123-V150 HydrophobicContact CG-CG1 3.59Å; W123-V150 HydrophobicContact CZ3-CG2 3.93Å; I139-V150 HydrophobicContact CD1-CB 4.24Å; I139-V150 HydrophobicContact CD1-CG2 3.51Å; N142-V150 HydrophobicContact CB-CG2 4.47Å; V150-A154 WeakPolarHBondContact O-CB 3.49Å; V150-A154 PolarHBondContact O-N 3.39Å; V150-V211 HydrophobicContact CB-CG1 3.98Å; V150-V211 HydrophobicContact CG1-CB 4.47Å; V150-V211 HydrophobicContact CG1-CG1 3.65Å; V150-V211 HydrophobicContact CG1-CG2 4Å
151	Y	98.8	Very high	98.6	Very high	29 Å²	29	13.9 Å²	13.9	11%	0.114	6%	0.061	C	C	.	.	H	α-helix	trans	-67.4	-45.4	-179.4	178.1	-86.5	0	0	0	112.1	D149 R155 M202 L205 K206 M212	D149-Y151 PolarHBondContact O-N 3.43Å; D149-Y151 VanDerWaalsContact O-N 3.1Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.35Å; D149-Y151 PolarHBondContact OD1-N 3.45Å; Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 PolarHBondContact O-N 3.15Å; Y151-R155 VanDerWaalsContact O-N 3.12Å; Y151-M202 HydrophobicContact CE2-CB 3.68Å; Y151-M202 HydrophobicContact CE2-CG 4.44Å; Y151-L205 HydrophobicContact CD2-CB 3.99Å; Y151-K206 HydrophobicContact CD2-CG 4.49Å; Y151-K206 HydrophobicContact CE2-CD 4.47Å; Y151-K206 HydrophobicContact CE2-CG 3.72Å; Y151-K206 WeakPolarHBondContact OH-CE 3.31Å; Y151-M212 HydrophobicContact CD2-CE 3.63Å; Y151-M212 HydrophobicContact CG-CE 3.96Å
152	E	98.3	Very high	98.6	Very high	22 Å²	22	15.8 Å²	15.8	10%	0.103	7%	0.069	C	C	.	.	H	α-helix	trans	-67.6	-44.8	178.9	178.8	164.1	-179.9	0	0	111.6	N148 D149 R155 D156	N148-E152 HydrophobicContact CB-CB 4.19Å; N148-E152 HydrophobicContact CB-CG 4.11Å; D149-E152 PolarHBondContact O-N 3.4Å; D149-E152 PolarHBondContact OD1-N 3.34Å; E152-R155 PolarHBondContact O-N 3.25Å; E152-D156 PolarHBondContact O-N 3.04Å; E152-D156 VanDerWaalsContact O-N 3.13Å
153	W	98.7	Very high	98.6	Very high	35 Å²	35	16.2 Å²	16.2	13%	0.133	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-49.1	177.9	-165.3	107.7	0	0	0	111.1	I115 V119 H120 S124 Q147 D149 R155 D156 H157	I115-W153 HydrophobicContact CG2-CZ2 4.03Å; V119-W153 HydrophobicContact CB-CD2 4.26Å; V119-W153 HydrophobicContact CB-CE3 4.17Å; V119-W153 HydrophobicContact CG1-CD2 3.48Å; V119-W153 VanDerWaalsContact CG1-CD2 3.48Å; V119-W153 HydrophobicContact CG1-CE3 3.64Å; V119-W153 HydrophobicContact CG1-CG 3.96Å; V119-W153 HydrophobicContact CG1-CH2 4.17Å; V119-W153 HydrophobicContact CG1-CZ2 4.02Å; V119-W153 HydrophobicContact CG1-CZ3 3.97Å; V119-W153 HydrophobicContact CG2-CB 3.67Å; V119-W153 HydrophobicContact CG2-CD2 3.72Å; V119-W153 HydrophobicContact CG2-CE3 3.58Å; V119-W153 HydrophobicContact CG2-CG 3.76Å; V119-W153 HydrophobicContact CG2-CZ3 4.46Å; H120-W153 HydrophobicContact CB-CH2 3.87Å; H120-W153 HydrophobicContact CB-CZ3 4.17Å; S124-W153 VanDerWaalsContact OG-CZ3 3.31Å; S124-W153 WeakPolarHBondContact OG-CZ3 3.18Å; Q147-W153 VanDerWaalsContact O-CD1 3.28Å; D149-W153 PolarHBondContact O-N 3.46Å; W153-R155 VanDerWaalsContact C-N 3.35Å; W153-R155 PolarHBondContact O-N 3.49Å; W153-D156 PolarHBondContact O-N 3.38Å; W153-H157 HydrophobicContact CE3-CB 3.65Å; W153-H157 HydrophobicContact CH2-CB 4.12Å; W153-H157 AromaticContact CH2-CG 3.67Å; W153-H157 AromaticContact CH2-ND1 3.57Å; W153-H157 HydrophobicContact CZ3-CB 3.38Å; W153-H157 AromaticContact CZ3-CD2 3.74Å; W153-H157 AromaticContact CZ3-CG 3.28Å; W153-H157 AromaticContact CZ3-ND1 3.72Å; W153-H157 WeakPolarHBondContact O-CB 3.29Å; W153-H157 PolarHBondContact O-N 3.44Å
154	A	98.7	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.3	-34.1	-178.3	0	0	0	0	0	113.4	S124 V150 H157 R158 M202 L205	S124-A154 VanDerWaalsContact OG-CA 3.26Å; S124-A154 WeakPolarHBondContact OG-CA 3.31Å; S124-A154 VanDerWaalsContact OG-CB 3.28Å; S124-A154 WeakPolarHBondContact OG-CB 3.31Å; V150-A154 WeakPolarHBondContact O-CB 3.49Å; V150-A154 PolarHBondContact O-N 3.39Å; A154-H157 PolarHBondContact O-N 2.93Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 VanDerWaalsContact O-CG 3.23Å; A154-R158 WeakPolarHBondContact O-CG 3.42Å; A154-R158 PolarHBondContact O-N 3.49Å; A154-M202 HydrophobicContact CB-CE 4.23Å; A154-L205 HydrophobicContact CB-CD1 3.44Å; A154-L205 VanDerWaalsContact CB-CD1 3.44Å
155	R	98.6	Very high	98.5	Very high	73 Å²	73	15.7 Å²	15.7	28%	0.275	7%	0.068	S	C	.	.	H	α-helix	trans	-63.2	-47.2	173.7	-179.5	-172.9	61.5	-166.7	-8	111	Y151 E152 W153 H157 A159 M202	Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 PolarHBondContact O-N 3.15Å; Y151-R155 VanDerWaalsContact O-N 3.12Å; E152-R155 PolarHBondContact O-N 3.25Å; W153-R155 VanDerWaalsContact C-N 3.35Å; W153-R155 PolarHBondContact O-N 3.49Å; R155-H157 VanDerWaalsContact C-N 3.31Å; R155-A159 PolarHBondContact O-N 3.17Å; R155-A159 VanDerWaalsContact O-N 3.11Å; R155-M202 HydrophobicContact CB-CE 3.88Å; R155-M202 HydrophobicContact CB-SD 4.07Å; R155-M202 HydrophobicContact CG-SD 4.3Å
156	D	98.3	Very high	98.4	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.053	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-40.2	178.2	-71.3	-10.2	0	0	0	110.7	E152 W153 A159 H160 P170 K189	E152-D156 PolarHBondContact O-N 3.04Å; E152-D156 VanDerWaalsContact O-N 3.13Å; W153-D156 PolarHBondContact O-N 3.38Å; D156-A159 PolarHBondContact O-N 3.08Å; D156-H160 WeakPolarHBondContact O-CB 3.31Å; D156-H160 PolarHBondContact O-N 3.28Å; D156-P170 HydrophobicContact CB-CG 3.95Å; D156-P170 WeakPolarHBondContact O-CG 3.37Å; D156-K189 IonicContact OD1-NZ 3.99Å; D156-K189 PolarHBondContact OD1-NZ 3.14Å; D156-K189 IonicContact OD2-NZ 2.89Å; D156-K189 PolarHBondContact OD2-NZ 3.1Å
157	H	98.7	Very high	98.4	Very high	11 Å²	11	16.2 Å²	16.2	5%	0.051	7%	0.072	C	C	.	.	H	α-helix	trans	-69.9	-40.1	179.7	-162.4	66.6	0	0	0	113.5	H120 H125 W153 A154 R155 A159 H160 H161 H301	H120-H157 AromaticContact CD2-CD2 3.72Å; H120-H157 AromaticContact CD2-CE1 3.8Å; H120-H157 AromaticContact CD2-NE2 3.16Å; H120-H157 PolarHBondContact CD2-NE2 3.38Å; H120-H157 AromaticContact NE2-CE1 3.82Å; H120-H157 AromaticContact NE2-NE2 3.24Å; H120-H157 PolarHBondContact NE2-NE2 3.04Å; H125-H157 AromaticContact CE1-CD2 3.76Å; H125-H157 AromaticContact CE1-NE2 3.68Å; H125-H157 AromaticContact NE2-CD2 3.19Å; H125-H157 PolarHBondContact NE2-CD2 3.35Å; H125-H157 AromaticContact NE2-NE2 2.94Å; H125-H157 PolarHBondContact NE2-NE2 3.01Å; W153-H157 HydrophobicContact CE3-CB 3.65Å; W153-H157 HydrophobicContact CH2-CB 4.12Å; W153-H157 AromaticContact CH2-CG 3.67Å; W153-H157 AromaticContact CH2-ND1 3.57Å; W153-H157 HydrophobicContact CZ3-CB 3.38Å; W153-H157 AromaticContact CZ3-CD2 3.74Å; W153-H157 AromaticContact CZ3-CG 3.28Å; W153-H157 AromaticContact CZ3-ND1 3.72Å; W153-H157 WeakPolarHBondContact O-CB 3.29Å; W153-H157 PolarHBondContact O-N 3.44Å; A154-H157 PolarHBondContact O-N 2.93Å; R155-H157 VanDerWaalsContact C-N 3.31Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.24Å; H157-H160 WeakPolarHBondContact O-CB 3.49Å; H157-H160 PolarHBondContact O-N 3.01Å; H157-H161 AromaticContact CD2-CD2 3.62Å; H157-H161 AromaticContact CD2-NE2 3.85Å; H157-H161 AromaticContact CE1-CD2 3.66Å; H157-H161 AromaticContact CE1-NE2 3.47Å; H157-H161 PolarHBondContact CE1-NE2 3.43Å; H157-H161 AromaticContact NE2-CD2 3.22Å; H157-H161 PolarHBondContact NE2-CD2 3.07Å; H157-H161 AromaticContact NE2-NE2 3Å; H157-H161 PolarHBondContact NE2-NE2 3.22Å; H157-H161 PolarHBondContact O-CD2 3.41Å; H157-H161 PolarHBondContact O-N 2.9Å; H157-H301 AromaticContact NE2-NE2 3.96Å
158	R	98.7	Very high	98.4	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-41.2	172.5	-72	167.4	-176.5	-167.1	4.2	111	M50 D53 W123 S124 A154 H161 K162 L200 D201 M202 D204	M50-R158 HydrophobicContact CE-CG 3.82Å; M50-R158 VanDerWaalsContact CE-CZ 3.44Å; D53-R158 HydrophobicContact CB-CG 4.49Å; W123-R158 PolarHBondContact O-NH2 2.98Å; S124-R158 PolarHBondContact O-NE 3.4Å; S124-R158 VanDerWaalsContact O-NE 3.13Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 VanDerWaalsContact O-CG 3.23Å; A154-R158 WeakPolarHBondContact O-CG 3.42Å; A154-R158 PolarHBondContact O-N 3.49Å; R158-H161 PolarHBondContact O-N 2.93Å; R158-K162 WeakPolarHBondContact O-CB 3.35Å; R158-K162 PolarHBondContact O-N 2.68Å; R158-L200 HydrophobicContact CB-CD1 3.78Å; R158-D201 PolarHBondContact NH1-O 3.22Å; R158-M202 VanDerWaalsContact CD-SD 3.57Å; R158-M202 PolarHBondContact NH1-SD 3.34Å; R158-D204 IonicContact CZ-OD1 3.82Å; R158-D204 IonicContact CZ-OD2 3.43Å; R158-D204 IonicContact NH1-OD1 2.92Å; R158-D204 PolarHBondContact NH1-OD1 3.19Å; R158-D204 IonicContact NH1-OD2 3.26Å; R158-D204 VanDerWaalsContact NH2-CG 3.34Å; R158-D204 IonicContact NH2-OD1 3.46Å; R158-D204 PolarHBondContact NH2-OD1 3.1Å; R158-D204 VanDerWaalsContact NH2-OD1 3.12Å; R158-D204 IonicContact NH2-OD2 3.63Å; R158-D204 PolarHBondContact NH2-OD2 3.24Å
159	A	98.5	Very high	98.4	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-41.6	174.5	0	0	0	0	0	112.3	R155 D156 H157 K162 F163 L200	R155-A159 PolarHBondContact O-N 3.17Å; R155-A159 VanDerWaalsContact O-N 3.11Å; D156-A159 PolarHBondContact O-N 3.08Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.24Å; A159-K162 PolarHBondContact O-N 2.72Å; A159-F163 HydrophobicContact CB-CD2 4.4Å; A159-F163 WeakPolarHBondContact O-CD2 3.09Å; A159-F163 PolarHBondContact O-N 2.89Å; A159-L200 HydrophobicContact CB-CD1 3.86Å
160	H	98.6	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57	-47.9	173.9	169	65.9	0	0	0	111.8	D156 H157 S164 D169 H171 H269 H302	D156-H160 WeakPolarHBondContact O-CB 3.31Å; D156-H160 PolarHBondContact O-N 3.28Å; H157-H160 WeakPolarHBondContact O-CB 3.49Å; H157-H160 PolarHBondContact O-N 3.01Å; H160-S164 WeakPolarHBondContact O-CA 3.47Å; H160-S164 VanDerWaalsContact O-CB 3.25Å; H160-S164 WeakPolarHBondContact O-CB 3.44Å; H160-S164 PolarHBondContact O-N 3.33Å; H160-D169 IonicContact CE1-OD2 2.84Å; H160-D169 IonicContact CG-OD1 2.79Å; H160-D169 VanDerWaalsContact ND1-CG 3.29Å; H160-D169 IonicContact ND1-OD1 2.82Å; H160-D169 PolarHBondContact ND1-OD1 3.37Å; H160-D169 IonicContact ND1-OD2 3.23Å; H160-D169 PolarHBondContact ND1-OD2 3.22Å; H160-H171 AromaticContact CD2-NE2 3.51Å; H160-H171 AromaticContact CE1-CD2 3.55Å; H160-H171 AromaticContact CE1-NE2 3.4Å; H160-H171 PolarHBondContact CE1-NE2 3.21Å; H160-H171 AromaticContact CG-CD2 3.91Å; H160-H171 AromaticContact CG-CE1 3.83Å; H160-H171 AromaticContact CG-NE2 3.15Å; H160-H171 AromaticContact ND1-CD2 3.35Å; H160-H171 PolarHBondContact ND1-CD2 3.48Å; H160-H171 AromaticContact ND1-NE2 3.1Å; H160-H171 PolarHBondContact ND1-NE2 3.44Å; H160-H171 VanDerWaalsContact ND1-NE2 3.1Å; H160-H171 AromaticContact NE2-NE2 3.66Å; H160-H269 AromaticContact CE1-CE1 3.46Å; H160-H269 PolarHBondContact CE1-CE1 3.34Å; H160-H269 VanDerWaalsContact CE1-CE1 3.46Å; H160-H269 AromaticContact CE1-NE2 3.45Å; H160-H269 PolarHBondContact CE1-NE2 3Å; H160-H269 AromaticContact NE2-CE1 3.9Å; H160-H269 AromaticContact NE2-NE2 3.62Å; H160-H302 AromaticContact CD2-CE1 3.85Å; H160-H302 AromaticContact CE1-CE1 3.92Å; H160-H302 AromaticContact NE2-CE1 3.26Å; H160-H302 PolarHBondContact NE2-CE1 3.17Å; H160-H302 VanDerWaalsContact NE2-CE1 3.26Å; H160-H302 AromaticContact NE2-NE2 3.34Å; H160-H302 PolarHBondContact NE2-NE2 3.29Å
161	H	98.5	Very high	98.3	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-48.2	177.3	-88.8	-92.1	0	0	0	113.6	D53 Y55 H125 H157 R158 H301 H302	D53-H161 HydrophobicContact CB-CB 4.08Å; D53-H161 WeakPolarHBondContact O-CB 3.5Å; Y55-H161 WeakPolarHBondContact CA-O 3.22Å; Y55-H161 WeakPolarHBondContact CD2-O 3.29Å; H125-H161 AromaticContact CE1-CD2 3.49Å; H125-H161 PolarHBondContact CE1-CD2 3.09Å; H125-H161 VanDerWaalsContact CE1-CD2 3.49Å; H125-H161 AromaticContact CE1-CE1 3.62Å; H125-H161 AromaticContact CE1-CG 3.84Å; H125-H161 AromaticContact CE1-ND1 3.91Å; H125-H161 AromaticContact CE1-NE2 3.32Å; H125-H161 PolarHBondContact CE1-NE2 3.26Å; H125-H161 VanDerWaalsContact CE1-NE2 3.32Å; H125-H161 AromaticContact NE2-CD2 3.9Å; H125-H161 AromaticContact NE2-NE2 3.46Å; H125-H161 PolarHBondContact NE2-NE2 2.96Å; H157-H161 AromaticContact CD2-CD2 3.62Å; H157-H161 AromaticContact CD2-NE2 3.85Å; H157-H161 AromaticContact CE1-CD2 3.66Å; H157-H161 AromaticContact CE1-NE2 3.47Å; H157-H161 PolarHBondContact CE1-NE2 3.43Å; H157-H161 AromaticContact NE2-CD2 3.22Å; H157-H161 PolarHBondContact NE2-CD2 3.07Å; H157-H161 AromaticContact NE2-NE2 3Å; H157-H161 PolarHBondContact NE2-NE2 3.22Å; H157-H161 PolarHBondContact O-CD2 3.41Å; H157-H161 PolarHBondContact O-N 2.9Å; R158-H161 PolarHBondContact O-N 2.93Å; H161-H301 AromaticContact CE1-CD2 3.53Å; H161-H301 AromaticContact CE1-CE1 3.8Å; H161-H301 AromaticContact CE1-NE2 3.07Å; H161-H301 PolarHBondContact CE1-NE2 3.43Å; H161-H301 AromaticContact NE2-CD2 3.72Å; H161-H301 AromaticContact NE2-CE1 3.96Å; H161-H301 AromaticContact NE2-NE2 3.02Å; H161-H301 PolarHBondContact NE2-NE2 3.44Å; H161-H302 AromaticContact CE1-CD2 3.9Å; H161-H302 AromaticContact CE1-CE1 3.96Å; H161-H302 AromaticContact CE1-NE2 3.85Å; H161-H302 AromaticContact ND1-ND1 3.98Å
162	K	98.2	Very high	98.3	Very high	42 Å²	42	13.9 Å²	13.9	18%	0.183	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-37.9	-174.2	-174	178.7	-89.7	-91.7	0	111.8	E52 D56 R158 A159 L200	E52-K162 WeakPolarHBondContact O-CE 3.3Å; D56-K162 HydrophobicContact CB-CG 3.8Å; D56-K162 PolarHBondContact N-O 2.94Å; R158-K162 WeakPolarHBondContact O-CB 3.35Å; R158-K162 PolarHBondContact O-N 2.68Å; A159-K162 PolarHBondContact O-N 2.72Å; K162-L200 HydrophobicContact CD-CD2 3.7Å
163	F	98.1	Very high	98.3	Very high	8 Å²	8	13 Å²	13	4%	0.035	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	32.9	-174	-44.4	-67	0	0	0	112.6	Y59 A159 T166 A168 K196 L200	Y59-F163 HydrophobicContact CD1-CB 4.02Å; 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 4.09Å; Y59-F163 HydrophobicContact CE1-CB 4.31Å; Y59-F163 HydrophobicContact CE1-CD1 4.28Å; Y59-F163 HydrophobicContact CE1-CG 4.48Å; Y59-F163 AromaticContact CG-CD1 3.79Å; Y59-F163 HydrophobicContact CG-CD1 3.79Å; Y59-F163 HydrophobicContact CG-CE1 4.24Å; A159-F163 HydrophobicContact CB-CD2 4.4Å; A159-F163 WeakPolarHBondContact O-CD2 3.09Å; A159-F163 PolarHBondContact O-N 2.89Å; F163-T166 WeakPolarHBondContact CB-OG1 3.37Å; F163-T166 WeakPolarHBondContact O-CB 3.48Å; F163-T166 WeakPolarHBondContact O-CG2 3.31Å; F163-T166 PolarHBondContact O-N 3.02Å; F163-T166 PolarHBondContact O-OG1 2.86Å; F163-A168 HydrophobicContact CB-CB 3.64Å; F163-A168 HydrophobicContact CD2-CB 3.94Å; F163-A168 HydrophobicContact CG-CB 3.87Å; F163-K196 HydrophobicContact CD2-CB 3.96Å; F163-K196 HydrophobicContact CE2-CB 3.56Å; F163-K196 HydrophobicContact CZ-CB 3.89Å; F163-L200 HydrophobicContact CE2-CD2 4.13Å; F163-L200 HydrophobicContact CZ-CD2 4.46Å
164	S	98	Very high	98.2	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.028	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	140.1	-179.7	-158.6	0	0	0	0	111.3	H160 T166	H160-S164 WeakPolarHBondContact O-CA 3.47Å; H160-S164 VanDerWaalsContact O-CB 3.25Å; H160-S164 WeakPolarHBondContact O-CB 3.44Å; H160-S164 PolarHBondContact O-N 3.33Å; S164-T166 VanDerWaalsContact C-N 3.26Å; S164-T166 PolarHBondContact O-N 3.27Å
165	E	97.7	Very high	98.2	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.089	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.9	179.4	-78	65.5	-131.8	0	0	115.1	S173 R174 H269 D281	E165-S173 PolarHBondContact OE1-OG 2.8Å; E165-R174 HydrophobicContact CB-CG 4.24Å; E165-R174 HydrophobicContact CG-CG 4.22Å; E165-R174 WeakPolarHBondContact O-CD 3.28Å; E165-R174 PolarHBondContact O-NH1 3.17Å; E165-H269 IonicContact OE1-CE1 3.12Å; E165-H269 PolarHBondContact OE1-CE1 3.43Å; E165-H269 IonicContact OE1-CG 3.23Å; E165-H269 IonicContact OE1-ND1 3.54Å; E165-H269 PolarHBondContact OE1-ND1 3.2Å; E165-D281 HydrophobicContact CG-CB 3.92Å; E165-D281 WeakPolarHBondContact CG-OD2 3.36Å
166	T	98	Very high	98.2	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.055	10%	0.097	C	C	.	.	S	Bend	trans	-123.9	175.2	173.5	75.5	0	0	0	0	112.1	Y59 D61 F163 S164 A168 D169 N172	Y59-T166 HydrophobicContact CD1-CG2 3.99Å; Y59-T166 HydrophobicContact CE1-CG2 4.14Å; Y59-T166 WeakPolarHBondContact CE1-OG1 3.39Å; D61-T166 WeakPolarHBondContact OD1-CB 3.49Å; F163-T166 WeakPolarHBondContact CB-OG1 3.37Å; F163-T166 WeakPolarHBondContact O-CB 3.48Å; F163-T166 WeakPolarHBondContact O-CG2 3.31Å; F163-T166 PolarHBondContact O-N 3.02Å; F163-T166 PolarHBondContact O-OG1 2.86Å; S164-T166 VanDerWaalsContact C-N 3.26Å; S164-T166 PolarHBondContact O-N 3.27Å; T166-A168 PolarHBondContact O-N 3.31Å; T166-A168 PolarHBondContact OG1-N 3.26Å; T166-A168 VanDerWaalsContact OG1-N 3.1Å; T166-D169 WeakPolarHBondContact O-CB 3.45Å; T166-D169 PolarHBondContact O-N 3.24Å; T166-D169 VanDerWaalsContact O-N 3.14Å; T166-N172 WeakPolarHBondContact O-CB 3.44Å; T166-N172 VanDerWaalsContact O-CG 3.24Å; T166-N172 PolarHBondContact O-ND2 2.94Å
167	H	97.9	Very high	98.2	Very high	33 Å²	33	24 Å²	24	15%	0.153	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.9	170.3	-68.2	154.9	0	0	0	114.2	D61 R175 H190 A192 V193	D61-H167 WeakPolarHBondContact OD1-CB 3.43Å; D61-H167 IonicContact OD1-CG 2.63Å; D61-H167 VanDerWaalsContact OD1-CG 3.28Å; D61-H167 PolarHBondContact OD1-N 3.11Å; D61-H167 IonicContact OD1-ND1 2.73Å; D61-H167 PolarHBondContact OD1-ND1 2.56Å; D61-H167 IonicContact OD2-CG 3.45Å; D61-H167 PolarHBondContact OD2-N 2.89Å; H167-R175 PolarHBondContact CD2-NH2 3.28Å; H167-R175 PolarHBondContact NE2-NH2 3.43Å; H167-H190 AromaticContact CG-CE1 3.96Å; H167-H190 AromaticContact CG-NE2 3.93Å; H167-H190 AromaticContact ND1-CE1 3.99Å; H167-H190 AromaticContact ND1-NE2 3.85Å; H167-A192 HydrophobicContact CB-CB 4.17Å; H167-V193 VanDerWaalsContact O-CG2 3.31Å; H167-V193 WeakPolarHBondContact O-CG2 3.47Å
168	A	97.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.8	172.1	0	0	0	0	0	113.1	Y59 F163 T166 P170 A192 K196	Y59-A168 HydrophobicContact CE1-CB 3.69Å; F163-A168 HydrophobicContact CB-CB 3.64Å; F163-A168 HydrophobicContact CD2-CB 3.94Å; F163-A168 HydrophobicContact CG-CB 3.87Å; T166-A168 PolarHBondContact O-N 3.31Å; T166-A168 PolarHBondContact OG1-N 3.26Å; T166-A168 VanDerWaalsContact OG1-N 3.1Å; A168-P170 WeakPolarHBondContact O-CD 3.24Å; A168-A192 HydrophobicContact CB-CB 4.13Å; A168-K196 HydrophobicContact CB-CB 3.88Å; A168-K196 HydrophobicContact CB-CG 3.83Å
169	D	98.4	Very high	98.2	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-76.6	118.2	168.3	176.6	3	0	0	0	110.2	H160 T166 H171 N172	H160-D169 IonicContact CE1-OD2 2.84Å; H160-D169 IonicContact CG-OD1 2.79Å; H160-D169 VanDerWaalsContact ND1-CG 3.29Å; H160-D169 IonicContact ND1-OD1 2.82Å; H160-D169 PolarHBondContact ND1-OD1 3.37Å; H160-D169 IonicContact ND1-OD2 3.23Å; H160-D169 PolarHBondContact ND1-OD2 3.22Å; T166-D169 WeakPolarHBondContact O-CB 3.45Å; T166-D169 PolarHBondContact O-N 3.24Å; T166-D169 VanDerWaalsContact O-N 3.14Å; D169-H171 PolarHBondContact O-N 3.34Å; D169-H171 VanDerWaalsContact O-N 3.16Å; D169-H171 IonicContact OD1-CD2 3.28Å; D169-H171 IonicContact OD1-CG 3.94Å; D169-H171 PolarHBondContact OD1-N 3.49Å; D169-N172 HydrophobicContact CB-CB 4.15Å; D169-N172 PolarHBondContact O-N 2.99Å; D169-N172 VanDerWaalsContact OD2-CA 3.3Å; D169-N172 WeakPolarHBondContact OD2-CA 3.41Å; D169-N172 PolarHBondContact OD2-N 3Å
170	P	98	Very high	98.2	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.039	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.9	179.6	-23.5	32.2	0	0	0	114.7	D156 A168 W184 V193	D156-P170 HydrophobicContact CB-CG 3.95Å; D156-P170 WeakPolarHBondContact O-CG 3.37Å; A168-P170 WeakPolarHBondContact O-CD 3.24Å; P170-W184 HydrophobicContact CB-CE3 4.29Å; P170-W184 HydrophobicContact CB-CZ3 4.22Å; P170-W184 VanDerWaalsContact O-CB 3.31Å; P170-W184 WeakPolarHBondContact O-CB 3.27Å; P170-V193 HydrophobicContact CB-CG1 4.37Å; P170-V193 HydrophobicContact CG-CG1 3.86Å
171	H	98	Very high	98.2	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.042	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	36.8	-177.1	37.7	-94.1	0	0	0	112.3	H160 D169 S173 S180 W184 N265	H160-H171 AromaticContact CD2-NE2 3.51Å; H160-H171 AromaticContact CE1-CD2 3.55Å; H160-H171 AromaticContact CE1-NE2 3.4Å; H160-H171 PolarHBondContact CE1-NE2 3.21Å; H160-H171 AromaticContact CG-CD2 3.91Å; H160-H171 AromaticContact CG-CE1 3.83Å; H160-H171 AromaticContact CG-NE2 3.15Å; H160-H171 AromaticContact ND1-CD2 3.35Å; H160-H171 PolarHBondContact ND1-CD2 3.48Å; H160-H171 AromaticContact ND1-NE2 3.1Å; H160-H171 PolarHBondContact ND1-NE2 3.44Å; H160-H171 VanDerWaalsContact ND1-NE2 3.1Å; H160-H171 AromaticContact NE2-NE2 3.66Å; D169-H171 PolarHBondContact O-N 3.34Å; D169-H171 VanDerWaalsContact O-N 3.16Å; D169-H171 IonicContact OD1-CD2 3.28Å; D169-H171 IonicContact OD1-CG 3.94Å; D169-H171 PolarHBondContact OD1-N 3.49Å; H171-S173 PolarHBondContact O-N 2.66Å; H171-S180 WeakPolarHBondContact O-CA 3.3Å; H171-S180 WeakPolarHBondContact O-CB 3.42Å; H171-W184 HydrophobicContact CB-CD2 4.12Å; H171-W184 HydrophobicContact CB-CG 3.93Å; H171-N265 HydrophobicContact CB-CB 4.42Å; H171-N265 VanDerWaalsContact CD2-CG 3.48Å; H171-N265 PolarHBondContact CD2-ND2 3.44Å; H171-N265 VanDerWaalsContact CG-ND2 3.34Å; H171-N265 PolarHBondContact ND1-ND2 3.45Å
172	N	98.2	Very high	98.2	Very high	3 Å²	3	33 Å²	33	2%	0.016	15%	0.151	C	C	.	.			trans	-36.6	107.8	178.9	-177.2	-6.2	0	0	0	114	T166 D169 R174 R175 F179	T166-N172 WeakPolarHBondContact O-CB 3.44Å; T166-N172 VanDerWaalsContact O-CG 3.24Å; T166-N172 PolarHBondContact O-ND2 2.94Å; D169-N172 HydrophobicContact CB-CB 4.15Å; D169-N172 PolarHBondContact O-N 2.99Å; D169-N172 VanDerWaalsContact OD2-CA 3.3Å; D169-N172 WeakPolarHBondContact OD2-CA 3.41Å; D169-N172 PolarHBondContact OD2-N 3Å; N172-R174 PolarHBondContact O-N 3.34Å; N172-R174 WeakPolarHBondContact OD1-CB 3.34Å; N172-R174 PolarHBondContact OD1-N 3.35Å; N172-R175 WeakPolarHBondContact O-CB 3.41Å; N172-R175 PolarHBondContact O-N 3.01Å; N172-R175 VanDerWaalsContact O-N 3.14Å; N172-F179 HydrophobicContact CB-CE1 4.38Å
173	S	98.1	Very high	98.2	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.028	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.4	-178.8	66.9	0	0	0	0	113.5	E165 H171 R175 G176	E165-S173 PolarHBondContact OE1-OG 2.8Å; H171-S173 PolarHBondContact O-N 2.66Å; S173-R175 PolarHBondContact O-N 3.41Å; S173-R175 VanDerWaalsContact O-N 3.16Å; S173-G176 PolarHBondContact O-N 3.03Å
174	R	97.5	Very high	98.2	Very high	164 Å²	164	32.1 Å²	32.1	62%	0.619	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-65.4	-17.5	176.5	-61.3	171.2	67.2	-172.2	-0.5	113.3	D61 E165 N172 G176	D61-R174 IonicContact OD2-NH1 2.8Å; D61-R174 PolarHBondContact OD2-NH1 3.46Å; E165-R174 HydrophobicContact CB-CG 4.24Å; E165-R174 HydrophobicContact CG-CG 4.22Å; E165-R174 WeakPolarHBondContact O-CD 3.28Å; E165-R174 PolarHBondContact O-NH1 3.17Å; N172-R174 PolarHBondContact O-N 3.34Å; N172-R174 WeakPolarHBondContact OD1-CB 3.34Å; N172-R174 PolarHBondContact OD1-N 3.35Å; R174-G176 PolarHBondContact O-N 3.36Å
175	R	97.6	Very high	98.2	Very high	73 Å²	73	32.7 Å²	32.7	28%	0.275	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-83.2	6.8	172.9	-65.8	177.4	171.9	-109.9	-3	112.9	H167 N172 S173 F179	H167-R175 PolarHBondContact CD2-NH2 3.28Å; H167-R175 PolarHBondContact NE2-NH2 3.43Å; N172-R175 WeakPolarHBondContact O-CB 3.41Å; N172-R175 PolarHBondContact O-N 3.01Å; N172-R175 VanDerWaalsContact O-N 3.14Å; S173-R175 PolarHBondContact O-N 3.41Å; S173-R175 VanDerWaalsContact O-N 3.16Å; R175-F179 HydrophobicContact CB-CB 3.64Å; R175-F179 HydrophobicContact CB-CD1 3.57Å; R175-F179 HydrophobicContact CB-CD2 4.27Å; R175-F179 HydrophobicContact CB-CE1 4.3Å; R175-F179 HydrophobicContact CB-CG 3.55Å; R175-F179 HydrophobicContact CG-CD1 4.23Å; R175-F179 HydrophobicContact CG-CE1 4.49Å; R175-F179 HydrophobicContact CG-CG 4.42Å
176	G	98.3	Very high	98.3	Very high	31 Å²	31	32.9 Å²	32.9	32%	0.32	15%	0.152	S	C	.	.			trans	87.8	166.1	174	0	0	0	0	0	113.7	S173 R174 F178 F179 S180	S173-G176 PolarHBondContact O-N 3.03Å; R174-G176 PolarHBondContact O-N 3.36Å; G176-F178 VanDerWaalsContact C-N 3.32Å; G176-F178 PolarHBondContact O-N 2.87Å; G176-F179 PolarHBondContact O-N 3.24Å; G176-F179 VanDerWaalsContact O-N 3.11Å; G176-S180 PolarHBondContact O-N 3.4Å; G176-S180 PolarHBondContact O-OG 3.38Å
177	F	98.6	Very high	98.3	Very high	79 Å²	79	33.2 Å²	33.2	35%	0.346	15%	0.154	S	C	.	.	H	α-helix	trans	-51.5	-46.1	-172.5	-175.1	-82.9	0	0	0	113.2	F179 S180 H181 L263 S266 A267 L270 Y271	F177-F179 PolarHBondContact O-N 3.11Å; F177-S180 PolarHBondContact O-OG 2.86Å; F177-H181 HydrophobicContact CD1-CB 4.29Å; F177-H181 HydrophobicContact CE1-CB 4.08Å; F177-H181 WeakPolarHBondContact O-CB 3.44Å; F177-H181 PolarHBondContact O-N 2.96Å; F177-L263 HydrophobicContact CZ-CD2 4.4Å; F177-S266 VanDerWaalsContact CE2-OG 3.28Å; F177-S266 WeakPolarHBondContact CE2-OG 3.26Å; F177-S266 WeakPolarHBondContact CZ-OG 3.48Å; F177-A267 HydrophobicContact CE2-CB 4.33Å; F177-L270 HydrophobicContact CB-CD1 3.83Å; F177-L270 HydrophobicContact CD2-CD1 3.88Å; F177-L270 HydrophobicContact CG-CD1 4.35Å; F177-Y271 AromaticContact CD2-CE2 3.95Å; F177-Y271 HydrophobicContact CD2-CE2 3.95Å; F177-Y271 HydrophobicContact CE2-CE2 4.1Å
178	F	98.7	Very high	98.3	Very high	139 Å²	139	38 Å²	38	61%	0.61	17%	0.171	S	C	*	.	H	α-helix	trans	-63.4	-42.1	-177.2	-178.7	-100.6	0	0	0	112.1	G176 V182 G183 L186	G176-F178 VanDerWaalsContact C-N 3.32Å; G176-F178 PolarHBondContact O-N 2.87Å; F178-V182 HydrophobicContact CD2-CG1 4.16Å; F178-V182 HydrophobicContact CE2-CG1 3.72Å; F178-V182 HydrophobicContact CZ-CG1 4.1Å; F178-V182 PolarHBondContact O-N 3.13Å; F178-V182 VanDerWaalsContact O-N 3.08Å; F178-G183 PolarHBondContact O-N 3.1Å; F178-L186 HydrophobicContact CZ-CD1 4.29Å
179	F	98.7	Very high	98.3	Very high	29 Å²	29	40.6 Å²	40.6	13%	0.127	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-50.2	-179.8	-177	-90.2	0	0	0	111.2	L69 N172 R175 G176 F177 H181 G183 W184 V187	L69-F179 HydrophobicContact CD1-CD2 4.48Å; L69-F179 HydrophobicContact CD2-CE2 4.25Å; N172-F179 HydrophobicContact CB-CE1 4.38Å; R175-F179 HydrophobicContact CB-CB 3.64Å; R175-F179 HydrophobicContact CB-CD1 3.57Å; R175-F179 HydrophobicContact CB-CD2 4.27Å; R175-F179 HydrophobicContact CB-CE1 4.3Å; R175-F179 HydrophobicContact CB-CG 3.55Å; R175-F179 HydrophobicContact CG-CD1 4.23Å; R175-F179 HydrophobicContact CG-CE1 4.49Å; R175-F179 HydrophobicContact CG-CG 4.42Å; G176-F179 PolarHBondContact O-N 3.24Å; G176-F179 VanDerWaalsContact O-N 3.11Å; F177-F179 PolarHBondContact O-N 3.11Å; F179-H181 VanDerWaalsContact C-N 3.32Å; F179-H181 PolarHBondContact O-N 3.41Å; F179-G183 PolarHBondContact O-N 2.96Å; F179-W184 HydrophobicContact CD1-CB 4.24Å; F179-W184 HydrophobicContact CE1-CB 3.8Å; F179-W184 HydrophobicContact CE2-CB 4.15Å; F179-W184 HydrophobicContact CZ-CB 3.74Å; F179-W184 WeakPolarHBondContact O-CB 3.47Å; F179-W184 VanDerWaalsContact O-CD1 3.23Å; F179-W184 PolarHBondContact O-N 2.86Å; F179-V187 HydrophobicContact CE2-CG2 4.01Å
180	S	98.5	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-27.1	-178.4	57.2	0	0	0	0	113.5	H171 G176 F177 N265 S266	H171-S180 WeakPolarHBondContact O-CA 3.3Å; H171-S180 WeakPolarHBondContact O-CB 3.42Å; G176-S180 PolarHBondContact O-N 3.4Å; G176-S180 PolarHBondContact O-OG 3.38Å; F177-S180 PolarHBondContact O-OG 2.86Å; S180-N265 VanDerWaalsContact O-CB 3.31Å; S180-N265 WeakPolarHBondContact O-CB 3.49Å; S180-S266 WeakPolarHBondContact OG-CA 3.39Å; S180-S266 WeakPolarHBondContact OG-CB 3.48Å
181	H	98.8	Very high	98.1	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-74.6	-59.2	176.6	-164.1	71.9	0	0	0	112	F177 F179 N259 W262 S266	F177-H181 HydrophobicContact CD1-CB 4.29Å; F177-H181 HydrophobicContact CE1-CB 4.08Å; F177-H181 WeakPolarHBondContact O-CB 3.44Å; F177-H181 PolarHBondContact O-N 2.96Å; F179-H181 VanDerWaalsContact C-N 3.32Å; F179-H181 PolarHBondContact O-N 3.41Å; H181-N259 PolarHBondContact NE2-OD1 2.96Å; H181-N259 VanDerWaalsContact NE2-OD1 3.14Å; H181-W262 AromaticContact CD2-CE3 3.92Å; H181-W262 VanDerWaalsContact CE1-CB 3.48Å; H181-W262 WeakPolarHBondContact CE1-CB 3.43Å; H181-W262 WeakPolarHBondContact ND1-CB 3.39Å; H181-W262 PolarHBondContact ND1-O 3.12Å; H181-W262 AromaticContact NE2-CE3 3.8Å; H181-W262 VanDerWaalsContact O-CB 3.26Å; H181-W262 WeakPolarHBondContact O-CB 3.49Å; H181-S266 PolarHBondContact ND1-OG 2.98Å
182	V	98.7	Very high	98.1	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-25.1	-173.6	68.2	0	0	0	0	113.4	M79 F178 W184 L185 W262	M79-V182 HydrophobicContact CE-CG2 4.25Å; M79-V182 HydrophobicContact CG-CG2 4.1Å; F178-V182 HydrophobicContact CD2-CG1 4.16Å; F178-V182 HydrophobicContact CE2-CG1 3.72Å; F178-V182 HydrophobicContact CZ-CG1 4.1Å; F178-V182 PolarHBondContact O-N 3.13Å; F178-V182 VanDerWaalsContact O-N 3.08Å; V182-W184 VanDerWaalsContact C-N 3.26Å; V182-W184 PolarHBondContact O-N 3.07Å; V182-L185 HydrophobicContact CG2-CD1 4.45Å; V182-L185 VanDerWaalsContact O-CB 3.27Å; V182-L185 WeakPolarHBondContact O-CB 3.31Å; V182-L185 PolarHBondContact O-N 3.07Å; V182-W262 HydrophobicContact CB-CE3 3.98Å; V182-W262 HydrophobicContact CB-CH2 4.39Å; V182-W262 HydrophobicContact CB-CZ3 3.9Å; V182-W262 HydrophobicContact CG2-CE3 4.13Å; V182-W262 HydrophobicContact CG2-CH2 3.63Å; V182-W262 HydrophobicContact CG2-CZ2 4.24Å; V182-W262 HydrophobicContact CG2-CZ3 3.56Å
183	G	98.6	Very high	98	Very high	4 Å²	4	46.4 Å²	46.4	4%	0.041	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58.6	-34.8	-173.8	0	0	0	0	0	113.6	F178 F179 L185 L186	F178-G183 PolarHBondContact O-N 3.1Å; F179-G183 PolarHBondContact O-N 2.96Å; G183-L185 PolarHBondContact O-N 3.18Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.28Å
184	W	98.5	Very high	97.9	Very high	28 Å²	28	53.4 Å²	53.4	11%	0.106	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.9	176.5	76.4	-86.4	0	0	0	113.8	P170 H171 F179 V182 L186	P170-W184 HydrophobicContact CB-CE3 4.29Å; P170-W184 HydrophobicContact CB-CZ3 4.22Å; P170-W184 VanDerWaalsContact O-CB 3.31Å; P170-W184 WeakPolarHBondContact O-CB 3.27Å; H171-W184 HydrophobicContact CB-CD2 4.12Å; H171-W184 HydrophobicContact CB-CG 3.93Å; F179-W184 HydrophobicContact CD1-CB 4.24Å; F179-W184 HydrophobicContact CE1-CB 3.8Å; F179-W184 HydrophobicContact CE2-CB 4.15Å; F179-W184 HydrophobicContact CZ-CB 3.74Å; F179-W184 WeakPolarHBondContact O-CB 3.47Å; F179-W184 VanDerWaalsContact O-CD1 3.23Å; F179-W184 PolarHBondContact O-N 2.86Å; V182-W184 VanDerWaalsContact C-N 3.26Å; V182-W184 PolarHBondContact O-N 3.07Å; W184-L186 VanDerWaalsContact C-N 3.26Å; W184-L186 PolarHBondContact O-N 2.68Å
185	L	97.9	Very high	97.8	Very high	17 Å²	17	50.4 Å²	50.4	9%	0.089	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-75.7	-16.3	176.1	-66.6	175.6	0	0	0	112.7	M1 N75 M79 V182 G183 W262	M1-L185 HydrophobicContact CE-CB 3.45Å; M1-L185 VanDerWaalsContact CE-CB 3.45Å; M1-L185 HydrophobicContact CE-CD1 4.38Å; M1-L185 HydrophobicContact CE-CD2 3.43Å; M1-L185 VanDerWaalsContact CE-CD2 3.43Å; M1-L185 HydrophobicContact CE-CG 3.91Å; M1-L185 WeakPolarHBondContact CE-O 3.34Å; N75-L185 PolarHBondContact ND2-O 3.34Å; M79-L185 HydrophobicContact CE-CD1 4.28Å; V182-L185 HydrophobicContact CG2-CD1 4.45Å; V182-L185 VanDerWaalsContact O-CB 3.27Å; V182-L185 WeakPolarHBondContact O-CB 3.31Å; V182-L185 PolarHBondContact O-N 3.07Å; G183-L185 PolarHBondContact O-N 3.18Å; L185-W262 HydrophobicContact CD1-CH2 4.34Å; L185-W262 HydrophobicContact CD1-CZ2 3.41Å; L185-W262 VanDerWaalsContact CD1-CZ2 3.41Å
186	L	98.6	Very high	97.8	Very high	22 Å²	22	48.6 Å²	48.6	12%	0.115	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-100.9	-4.4	-172.7	-54.2	-174.9	0	0	0	112.9	V72 N75 I76 M79 F178 G183 W184	V72-L186 PolarHBondContact N-O 2.83Å; N75-L186 HydrophobicContact CB-CD2 4.22Å; I76-L186 HydrophobicContact CG1-CB 3.83Å; I76-L186 HydrophobicContact CG1-CD1 4.34Å; I76-L186 HydrophobicContact CG1-CD2 4.25Å; I76-L186 HydrophobicContact CG1-CG 4.35Å; M79-L186 HydrophobicContact CB-CD2 3.99Å; M79-L186 HydrophobicContact CG-CD2 4.33Å; F178-L186 HydrophobicContact CZ-CD1 4.29Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.28Å; W184-L186 VanDerWaalsContact C-N 3.26Å; W184-L186 PolarHBondContact O-N 2.68Å
187	V	98.6	Very high	97.6	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.097	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-130.5	166.5	-176	-55.2	0	0	0	0	111	L69 E70 Y71 F179	L69-V187 HydrophobicContact CB-CG1 4.21Å; L69-V187 HydrophobicContact CD1-CG1 4.38Å; L69-V187 HydrophobicContact CD2-CG2 4.22Å; E70-V187 CarbonylContact O-C 3.44Å; E70-V187 WeakPolarHBondContact O-CA 3.27Å; E70-V187 WeakPolarHBondContact O-CB 3.43Å; Y71-V187 HydrophobicContact CD1-CG1 3.7Å; Y71-V187 HydrophobicContact CE1-CG1 4.15Å; F179-V187 HydrophobicContact CE2-CG2 4.01Å
188	R	97.8	Very high	97.4	Very high	134 Å²	134	46.5 Å²	46.5	51%	0.506	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-68.7	137	169.6	-61.6	-60.3	-171.9	178.4	1.9	109.7	E70 V72	E70-R188 HydrophobicContact CB-CB 4.12Å; E70-R188 HydrophobicContact CB-CG 3.83Å; E70-R188 PolarHBondContact O-N 3.35Å; V72-R188 HydrophobicContact CG2-CG 4.14Å
189	K	97.5	Very high	97.3	Very high	55 Å²	55	46.3 Å²	46.3	24%	0.239	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-56.9	141.6	172.3	-69.6	177.3	173	176.8	0	110.1	D156 V193	D156-K189 IonicContact OD1-NZ 3.99Å; D156-K189 PolarHBondContact OD1-NZ 3.14Å; D156-K189 IonicContact OD2-NZ 2.89Å; D156-K189 PolarHBondContact OD2-NZ 3.1Å; K189-V193 HydrophobicContact CB-CB 4.26Å; K189-V193 HydrophobicContact CB-CG1 4.46Å; K189-V193 HydrophobicContact CB-CG2 4.48Å; K189-V193 HydrophobicContact CD-CG1 4Å
190	H	97.3	Very high	97.3	Very high	43 Å²	43	45.6 Å²	45.6	20%	0.199	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.2	144.4	173.6	-171.1	-86.8	0	0	0	110.6	P67 H167 A192 V193	P67-H190 VanDerWaalsContact CD-NE2 3.34Å; P67-H190 WeakPolarHBondContact CD-NE2 3.39Å; H167-H190 AromaticContact CG-CE1 3.96Å; H167-H190 AromaticContact CG-NE2 3.93Å; H167-H190 AromaticContact ND1-CE1 3.99Å; H167-H190 AromaticContact ND1-NE2 3.85Å; H190-A192 VanDerWaalsContact ND1-CB 3.32Å; H190-A192 WeakPolarHBondContact ND1-CB 3.29Å; H190-A192 PolarHBondContact ND1-N 2.88Å; H190-A192 VanDerWaalsContact ND1-N 3.14Å; H190-A192 PolarHBondContact O-N 3.26Å; H190-V193 HydrophobicContact CB-CG2 4.28Å; H190-V193 WeakPolarHBondContact O-CB 3.44Å; H190-V193 PolarHBondContact O-N 3.26Å
191	P	96.3	Very high	97.2	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-51.3	-40.5	179.4	-30.5	36.5	0	0	0	114.1	V193 K194 E195	P191-V193 VanDerWaalsContact C-N 3.26Å; P191-V193 PolarHBondContact O-N 3.37Å; P191-K194 WeakPolarHBondContact O-CB 3.29Å; P191-K194 PolarHBondContact O-N 2.88Å; P191-E195 PolarHBondContact O-N 3.2Å
192	A	97.2	Very high	97.2	Very high	8 Å²	8	48.7 Å²	48.7	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-34.7	176.9	0	0	0	0	0	113.6	H167 A168 H190 K194 E195 K196	H167-A192 HydrophobicContact CB-CB 4.17Å; A168-A192 HydrophobicContact CB-CB 4.13Å; H190-A192 VanDerWaalsContact ND1-CB 3.32Å; H190-A192 WeakPolarHBondContact ND1-CB 3.29Å; H190-A192 PolarHBondContact ND1-N 2.88Å; H190-A192 VanDerWaalsContact ND1-N 3.14Å; H190-A192 PolarHBondContact O-N 3.26Å; A192-K194 VanDerWaalsContact C-N 3.32Å; A192-K194 PolarHBondContact O-N 3.43Å; A192-E195 PolarHBondContact O-N 2.82Å; A192-K196 VanDerWaalsContact O-CB 3.24Å; A192-K196 WeakPolarHBondContact O-CB 3.45Å; A192-K196 WeakPolarHBondContact O-CG 3.44Å; A192-K196 PolarHBondContact O-N 2.88Å
193	V	97.4	Very high	97.2	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-42	175.5	-178.3	0	0	0	0	110.8	H167 P170 K189 H190 P191 G197	H167-V193 VanDerWaalsContact O-CG2 3.31Å; H167-V193 WeakPolarHBondContact O-CG2 3.47Å; P170-V193 HydrophobicContact CB-CG1 4.37Å; P170-V193 HydrophobicContact CG-CG1 3.86Å; K189-V193 HydrophobicContact CB-CB 4.26Å; K189-V193 HydrophobicContact CB-CG1 4.46Å; K189-V193 HydrophobicContact CB-CG2 4.48Å; K189-V193 HydrophobicContact CD-CG1 4Å; H190-V193 HydrophobicContact CB-CG2 4.28Å; H190-V193 WeakPolarHBondContact O-CB 3.44Å; H190-V193 PolarHBondContact O-N 3.26Å; P191-V193 VanDerWaalsContact C-N 3.26Å; P191-V193 PolarHBondContact O-N 3.37Å; V193-G197 VanDerWaalsContact O-CA 3.29Å; V193-G197 WeakPolarHBondContact O-CA 3.16Å; V193-G197 PolarHBondContact O-N 3.42Å
194	K	95.2	Very high	97.2	Very high	152 Å²	152	52.7 Å²	52.7	66%	0.661	27%	0.273	S	S	*	.	H	α-helix	trans	-71.3	-45	179.6	-64.2	-178	-177.1	176	0	111.3	P191 A192 G198	P191-K194 WeakPolarHBondContact O-CB 3.29Å; P191-K194 PolarHBondContact O-N 2.88Å; A192-K194 VanDerWaalsContact C-N 3.32Å; A192-K194 PolarHBondContact O-N 3.43Å; K194-G198 WeakPolarHBondContact O-CA 3.49Å; K194-G198 PolarHBondContact O-N 3.24Å
195	E	96.2	Very high	97.2	Very high	101 Å²	101	51.3 Å²	51.3	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-66.8	-52.2	-177.2	-169.3	-143.4	140.6	0	0	111.7	P191 A192 G198 K199	P191-E195 PolarHBondContact O-N 3.2Å; A192-E195 PolarHBondContact O-N 2.82Å; E195-G198 PolarHBondContact O-N 3.45Å; E195-K199 WeakPolarHBondContact O-CG 3.42Å; E195-K199 IonicContact OE1-NZ 3.95Å; E195-K199 PolarHBondContact OE1-NZ 3.49Å
196	K	96.4	Very high	97.3	Very high	34 Å²	34	56.4 Å²	56.4	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-74	-41.7	-178.5	-60.4	-67.3	-65.4	-165.1	0	111.4	Y59 F163 A168 A192 G198 K199	Y59-K196 HydrophobicContact CD2-CD 4.18Å; Y59-K196 HydrophobicContact CE2-CD 3.68Å; Y59-K196 HydrophobicContact CE2-CG 4.1Å; F163-K196 HydrophobicContact CD2-CB 3.96Å; F163-K196 HydrophobicContact CE2-CB 3.56Å; F163-K196 HydrophobicContact CZ-CB 3.89Å; A168-K196 HydrophobicContact CB-CB 3.88Å; A168-K196 HydrophobicContact CB-CG 3.83Å; A192-K196 VanDerWaalsContact O-CB 3.24Å; A192-K196 WeakPolarHBondContact O-CB 3.45Å; A192-K196 WeakPolarHBondContact O-CG 3.44Å; A192-K196 PolarHBondContact O-N 2.88Å; K196-G198 PolarHBondContact O-N 3.04Å; K196-K199 PolarHBondContact O-N 3.43Å; K196-K199 VanDerWaalsContact O-N 3.12Å
197	G	93.9	Very high	97.3	Very high	5 Å²	5	59.2 Å²	59.2	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-26.5	174.7	0	0	0	0	0	113.6	V193 K199	V193-G197 VanDerWaalsContact O-CA 3.29Å; V193-G197 WeakPolarHBondContact O-CA 3.16Å; V193-G197 PolarHBondContact O-N 3.42Å; G197-K199 VanDerWaalsContact C-N 3.29Å
198	G	95.3	Very high	97.3	Very high	62 Å²	62	59.3 Å²	59.3	64%	0.639	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-19.8	173.9	0	0	0	0	0	114.2	K194 E195 K196	K194-G198 WeakPolarHBondContact O-CA 3.49Å; K194-G198 PolarHBondContact O-N 3.24Å; E195-G198 PolarHBondContact O-N 3.45Å; K196-G198 PolarHBondContact O-N 3.04Å
199	K	96.6	Very high	97.3	Very high	135 Å²	135	61.7 Å²	61.7	59%	0.587	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-9.1	178.1	-63.8	173.3	-167.8	173.4	0	113.2	E195 K196 G197	E195-K199 WeakPolarHBondContact O-CG 3.42Å; E195-K199 IonicContact OE1-NZ 3.95Å; E195-K199 PolarHBondContact OE1-NZ 3.49Å; K196-K199 PolarHBondContact O-N 3.43Å; K196-K199 VanDerWaalsContact O-N 3.12Å; G197-K199 VanDerWaalsContact C-N 3.29Å
200	L	97.4	Very high	97.4	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.068	33%	0.326	C	S	.	.	S	Bend	trans	-71.6	137.1	177.7	-58.8	177.5	0	0	0	110.6	E52 R158 A159 K162 F163 M202	E52-L200 HydrophobicContact CB-CD2 4.35Å; R158-L200 HydrophobicContact CB-CD1 3.78Å; A159-L200 HydrophobicContact CB-CD1 3.86Å; K162-L200 HydrophobicContact CD-CD2 3.7Å; F163-L200 HydrophobicContact CE2-CD2 4.13Å; F163-L200 HydrophobicContact CZ-CD2 4.46Å; L200-M202 HydrophobicContact CB-SD 4.3Å; L200-M202 PolarHBondContact O-N 2.62Å
201	D	98.3	Very high	97.4	Very high	80 Å²	80	58.4 Å²	58.4	43%	0.428	32%	0.316	S	S	.	.			trans	-69.5	121.8	170	-169	6.5	0	0	0	110.6	E52 R158 S203	E52-D201 HydrophobicContact CG-CB 3.89Å; E52-D201 PolarHBondContact OE2-N 3.28Å; R158-D201 PolarHBondContact NH1-O 3.22Å; D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 WeakPolarHBondContact OD1-CA 3.48Å; D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 3.26Å; D201-S203 PolarHBondContact OD1-OG 3.45Å; D201-S203 PolarHBondContact OD2-OG 3.46Å
202	M	98.5	Very high	97.5	Very high	7 Å²	7	57 Å²	57	3%	0.034	30%	0.303	C	S	.	.			trans	-122.2	13.6	175.9	-54.2	-59.5	-54	0	0	111.4	Y151 A154 R155 R158 L200 D204 L205 K206	Y151-M202 HydrophobicContact CE2-CB 3.68Å; Y151-M202 HydrophobicContact CE2-CG 4.44Å; A154-M202 HydrophobicContact CB-CE 4.23Å; R155-M202 HydrophobicContact CB-CE 3.88Å; R155-M202 HydrophobicContact CB-SD 4.07Å; R155-M202 HydrophobicContact CG-SD 4.3Å; R158-M202 VanDerWaalsContact CD-SD 3.57Å; R158-M202 PolarHBondContact NH1-SD 3.34Å; L200-M202 HydrophobicContact CB-SD 4.3Å; L200-M202 PolarHBondContact O-N 2.62Å; M202-D204 VanDerWaalsContact C-N 3.26Å; M202-D204 PolarHBondContact O-N 3.26Å; M202-L205 HydrophobicContact CE-CD1 3.54Å; M202-L205 HydrophobicContact CE-CG 4.42Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-K206 WeakPolarHBondContact O-CG 3.41Å; M202-K206 PolarHBondContact O-N 3.22Å; M202-K206 VanDerWaalsContact O-N 3.08Å
203	S	98.4	Very high	97.6	Very high	58 Å²	58	62.4 Å²	62.4	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-35.9	-176.2	65	0	0	0	0	112.2	D201 L205 K206 A207	D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 WeakPolarHBondContact OD1-CA 3.48Å; D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 3.26Å; D201-S203 PolarHBondContact OD1-OG 3.45Å; D201-S203 PolarHBondContact OD2-OG 3.46Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.27Å; S203-K206 PolarHBondContact O-N 2.97Å; S203-A207 WeakPolarHBondContact O-CB 3.43Å; S203-A207 PolarHBondContact O-N 2.94Å
204	D	98.5	Very high	97.7	Very high	44 Å²	44	62.5 Å²	62.5	24%	0.235	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-41	177	73.6	-57.1	0	0	0	112.3	R126 R158 M202	R126-D204 IonicContact CZ-OD2 2.7Å; R126-D204 VanDerWaalsContact CZ-OD2 3.23Å; R126-D204 IonicContact NE-OD2 3.69Å; R126-D204 PolarHBondContact NE-OD2 2.78Å; R126-D204 PolarHBondContact NH2-O 3.4Å; R126-D204 IonicContact NH2-OD2 2.67Å; R126-D204 PolarHBondContact NH2-OD2 2.93Å; R158-D204 IonicContact CZ-OD1 3.82Å; R158-D204 IonicContact CZ-OD2 3.43Å; R158-D204 IonicContact NH1-OD1 2.92Å; R158-D204 PolarHBondContact NH1-OD1 3.19Å; R158-D204 IonicContact NH1-OD2 3.26Å; R158-D204 VanDerWaalsContact NH2-CG 3.34Å; R158-D204 IonicContact NH2-OD1 3.46Å; R158-D204 PolarHBondContact NH2-OD1 3.1Å; R158-D204 VanDerWaalsContact NH2-OD1 3.12Å; R158-D204 IonicContact NH2-OD2 3.63Å; R158-D204 PolarHBondContact NH2-OD2 3.24Å; M202-D204 VanDerWaalsContact C-N 3.26Å; M202-D204 PolarHBondContact O-N 3.26Å
205	L	98.6	Very high	97.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-78.6	-35.3	176	-63.5	-177.3	0	0	0	112.3	W123 R126 Y151 A154 M202 S203 A207 E208 V211	W123-L205 HydrophobicContact CB-CD2 3.78Å; W123-L205 HydrophobicContact CG-CD2 4.06Å; R126-L205 VanDerWaalsContact NH2-CD2 3.33Å; Y151-L205 HydrophobicContact CD2-CB 3.99Å; A154-L205 HydrophobicContact CB-CD1 3.44Å; A154-L205 VanDerWaalsContact CB-CD1 3.44Å; M202-L205 HydrophobicContact CE-CD1 3.54Å; M202-L205 HydrophobicContact CE-CG 4.42Å; M202-L205 PolarHBondContact O-N 2.92Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.27Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.5Å; L205-E208 PolarHBondContact O-N 3.41Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L205-V211 HydrophobicContact CB-CG1 4.37Å; L205-V211 HydrophobicContact CD2-CG2 4.45Å
206	K	98.6	Very high	98	Very high	123 Å²	123	62.8 Å²	62.8	54%	0.535	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-37.9	174.9	-68.8	175.5	-174.3	173.4	0	111.8	Y151 M202 S203 E208 M212	Y151-K206 HydrophobicContact CD2-CG 4.49Å; Y151-K206 HydrophobicContact CE2-CD 4.47Å; Y151-K206 HydrophobicContact CE2-CG 3.72Å; Y151-K206 WeakPolarHBondContact OH-CE 3.31Å; M202-K206 WeakPolarHBondContact O-CG 3.41Å; M202-K206 PolarHBondContact O-N 3.22Å; M202-K206 VanDerWaalsContact O-N 3.08Å; S203-K206 PolarHBondContact O-N 2.97Å; K206-E208 PolarHBondContact O-N 3.31Å; K206-M212 WeakPolarHBondContact O-CG 3.32Å
207	A	98.6	Very high	98.1	Very high	82 Å²	82	66 Å²	66	68%	0.678	33%	0.329	S	S	*	.	S	Bend	trans	-70.4	-19.9	176.8	0	0	0	0	0	112.8	S203 L205 K209	S203-A207 WeakPolarHBondContact O-CB 3.43Å; S203-A207 PolarHBondContact O-N 2.94Å; L205-A207 VanDerWaalsContact C-N 3.29Å; L205-A207 PolarHBondContact O-N 3.5Å; A207-K209 PolarHBondContact O-N 3.28Å
208	E	98.5	Very high	98.3	Very high	18 Å²	18	66.2 Å²	66.2	8%	0.084	33%	0.329	C	S	.	.			trans	-84.3	96.9	-176.1	-162.9	172.9	152.6	0	0	112.1	W123 R126 R135 L205 K206 L210 V211 M212	W123-E208 VanDerWaalsContact NE1-CD 3.31Å; W123-E208 PolarHBondContact NE1-OE1 3.35Å; W123-E208 PolarHBondContact NE1-OE2 3.18Å; R126-E208 IonicContact CZ-OE2 3.68Å; R126-E208 IonicContact NH1-OE2 3.36Å; R126-E208 PolarHBondContact NH1-OE2 3.34Å; R126-E208 IonicContact NH2-OE2 3.35Å; R126-E208 PolarHBondContact NH2-OE2 3.36Å; R135-E208 IonicContact CZ-OE1 3.29Å; R135-E208 IonicContact NE-OE1 3.1Å; R135-E208 PolarHBondContact NE-OE1 2.74Å; R135-E208 IonicContact NH2-OE1 2.8Å; R135-E208 PolarHBondContact NH2-OE1 3.48Å; L205-E208 PolarHBondContact O-N 3.41Å; L205-E208 VanDerWaalsContact O-N 3.13Å; K206-E208 PolarHBondContact O-N 3.31Å; E208-L210 PolarHBondContact O-N 2.92Å; E208-V211 HydrophobicContact CB-CB 4.19Å; E208-V211 HydrophobicContact CB-CG2 3.95Å; E208-V211 HydrophobicContact CG-CB 4.47Å; E208-V211 HydrophobicContact CG-CG2 3.86Å; E208-V211 WeakPolarHBondContact O-CB 3.43Å; E208-V211 PolarHBondContact O-N 3.12Å; E208-M212 PolarHBondContact O-N 3.48Å; E208-M212 VanDerWaalsContact O-N 3.13Å
209	K	98.7	Very high	98.4	Very high	184 Å²	184	69.9 Å²	69.9	80%	0.8	33%	0.327	S	S	*	.	H	α-helix	trans	-49	-39.5	-176.1	-62.3	-178.6	-171.5	-74.4	0	114.4	A207 M212 F213	A207-K209 PolarHBondContact O-N 3.28Å; K209-M212 PolarHBondContact O-N 3.09Å; K209-F213 VanDerWaalsContact O-CB 3.31Å; K209-F213 WeakPolarHBondContact O-CB 3.49Å; K209-F213 PolarHBondContact O-N 3.49Å
210	L	98.7	Very high	98.5	Very high	29 Å²	29	67.2 Å²	67.2	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-68.2	-38.5	-179.2	-171.9	66.4	0	0	0	112.4	R135 I136 I139 E208 F213 Q214	R135-L210 HydrophobicContact CB-CD2 3.74Å; R135-L210 WeakPolarHBondContact O-CD2 3.24Å; I136-L210 HydrophobicContact CG1-CD1 4.39Å; I136-L210 HydrophobicContact CG1-CD2 4.17Å; I139-L210 HydrophobicContact CB-CD2 4.25Å; I139-L210 HydrophobicContact CB-CG 4.36Å; I139-L210 HydrophobicContact CG1-CG 4.41Å; I139-L210 HydrophobicContact CG2-CD1 4.09Å; I139-L210 HydrophobicContact CG2-CD2 3.98Å; I139-L210 HydrophobicContact CG2-CG 4.02Å; E208-L210 PolarHBondContact O-N 2.92Å; L210-F213 WeakPolarHBondContact O-CB 3.4Å; L210-F213 PolarHBondContact O-N 3.42Å; L210-Q214 PolarHBondContact O-N 3.2Å
211	V	98.8	Very high	98.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-45.9	176.4	175.9	0	0	0	0	109.8	W123 V150 L205 E208 F213 Q214 R215	W123-V211 HydrophobicContact CD2-CG2 4.49Å; W123-V211 HydrophobicContact CG-CG2 4.39Å; V150-V211 HydrophobicContact CB-CG1 3.98Å; V150-V211 HydrophobicContact CG1-CB 4.47Å; V150-V211 HydrophobicContact CG1-CG1 3.65Å; V150-V211 HydrophobicContact CG1-CG2 4Å; L205-V211 HydrophobicContact CB-CG1 4.37Å; L205-V211 HydrophobicContact CD2-CG2 4.45Å; E208-V211 HydrophobicContact CB-CB 4.19Å; E208-V211 HydrophobicContact CB-CG2 3.95Å; E208-V211 HydrophobicContact CG-CB 4.47Å; E208-V211 HydrophobicContact CG-CG2 3.86Å; E208-V211 WeakPolarHBondContact O-CB 3.43Å; E208-V211 PolarHBondContact O-N 3.12Å; V211-F213 VanDerWaalsContact C-N 3.31Å; V211-F213 PolarHBondContact O-N 3.45Å; V211-Q214 PolarHBondContact O-N 3.21Å; V211-R215 PolarHBondContact O-N 3.37Å
212	M	98.8	Very high	98.6	Very high	53 Å²	53	64.4 Å²	64.4	26%	0.261	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-31.9	176.6	-65.4	-61.3	97.5	0	0	112.8	Y151 K206 E208 K209 R215 R216	Y151-M212 HydrophobicContact CD2-CE 3.63Å; Y151-M212 HydrophobicContact CG-CE 3.96Å; K206-M212 WeakPolarHBondContact O-CG 3.32Å; E208-M212 PolarHBondContact O-N 3.48Å; E208-M212 VanDerWaalsContact O-N 3.13Å; K209-M212 PolarHBondContact O-N 3.09Å; M212-R215 PolarHBondContact O-N 2.7Å; M212-R216 WeakPolarHBondContact O-CB 3.07Å; M212-R216 PolarHBondContact O-N 3.01Å
213	F	98.8	Very high	98.6	Very high	122 Å²	122	68.8 Å²	68.8	54%	0.535	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-49.4	171.6	177.8	-89.5	0	0	0	111.4	K209 L210 V211 R215 R216 Y217	K209-F213 VanDerWaalsContact O-CB 3.31Å; K209-F213 WeakPolarHBondContact O-CB 3.49Å; K209-F213 PolarHBondContact O-N 3.49Å; L210-F213 WeakPolarHBondContact O-CB 3.4Å; L210-F213 PolarHBondContact O-N 3.42Å; V211-F213 VanDerWaalsContact C-N 3.31Å; V211-F213 PolarHBondContact O-N 3.45Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 2.84Å; F213-R216 PolarHBondContact O-N 3.2Å; F213-Y217 HydrophobicContact CD1-CD2 4.36Å; F213-Y217 AromaticContact CD2-CD2 3.71Å; F213-Y217 HydrophobicContact CD2-CD2 3.71Å; F213-Y217 AromaticContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CE1-CD2 4.15Å; F213-Y217 AromaticContact CE2-CD2 3.47Å; F213-Y217 HydrophobicContact CE2-CD2 3.47Å; F213-Y217 VanDerWaalsContact CE2-CD2 3.47Å; F213-Y217 AromaticContact CE2-CE2 3.42Å; F213-Y217 HydrophobicContact CE2-CE2 3.42Å; F213-Y217 VanDerWaalsContact CE2-CE2 3.42Å; F213-Y217 HydrophobicContact CG-CD2 4.15Å; F213-Y217 AromaticContact CZ-CD2 3.7Å; F213-Y217 HydrophobicContact CZ-CD2 3.7Å; F213-Y217 HydrophobicContact CZ-CE2 4.07Å; F213-Y217 WeakPolarHBondContact O-CD2 3.37Å; F213-Y217 PolarHBondContact O-N 3.42Å
214	Q	98.8	Very high	98.6	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-47.5	176.1	-169.2	-149.8	30.6	0	0	110.9	I139 N142 T143 L210 V211 R216 Y217 Y218	I139-Q214 HydrophobicContact CD1-CB 3.76Å; I139-Q214 VanDerWaalsContact CD1-CD 3.46Å; I139-Q214 HydrophobicContact CD1-CG 3.93Å; I139-Q214 HydrophobicContact CG1-CB 3.57Å; I139-Q214 HydrophobicContact CG1-CG 3.73Å; N142-Q214 PolarHBondContact OD1-NE2 3.15Å; T143-Q214 PolarHBondContact OG1-NE2 2.98Å; L210-Q214 PolarHBondContact O-N 3.2Å; V211-Q214 PolarHBondContact O-N 3.21Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 2.97Å; Q214-Y217 CarbonylContact O-C 3.37Å; Q214-Y217 PolarHBondContact O-N 3.25Å; Q214-Y218 HydrophobicContact CG-CD2 4.18Å; Q214-Y218 WeakPolarHBondContact O-CA 2.93Å; Q214-Y218 VanDerWaalsContact O-CB 3.31Å; Q214-Y218 WeakPolarHBondContact O-CB 3.36Å; Q214-Y218 PolarHBondContact O-N 2.63Å
215	R	98.7	Very high	98.6	Very high	66 Å²	66	69.4 Å²	69.4	25%	0.249	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-44.3	178	-177.6	171.6	-178	73.9	4.7	112.4	D149 V211 M212 F213 Y217	D149-R215 HydrophobicContact CB-CB 4.32Å; D149-R215 WeakPolarHBondContact OD1-CG 3.11Å; D149-R215 IonicContact OD1-CZ 3.68Å; D149-R215 IonicContact OD1-NH1 3.85Å; D149-R215 PolarHBondContact OD1-NH1 2.98Å; D149-R215 IonicContact OD2-CZ 3.87Å; D149-R215 IonicContact OD2-NH1 3.44Å; D149-R215 PolarHBondContact OD2-NH1 3.16Å; V211-R215 PolarHBondContact O-N 3.37Å; M212-R215 PolarHBondContact O-N 2.7Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 2.84Å; R215-Y217 PolarHBondContact O-N 3.05Å
216	R	98.6	Very high	98.6	Very high	193 Å²	193	69.4 Å²	69.4	73%	0.728	33%	0.334	S	S	*	.	H	α-helix	trans	-63.5	-40	178.7	-178	174.8	178.2	170.1	0.7	112.5	M212 F213 Q214	M212-R216 WeakPolarHBondContact O-CB 3.07Å; M212-R216 PolarHBondContact O-N 3.01Å; F213-R216 PolarHBondContact O-N 3.2Å; Q214-R216 VanDerWaalsContact C-N 3.33Å; Q214-R216 PolarHBondContact O-N 2.97Å
217	Y	98.6	Very high	98.6	Very high	102 Å²	102	65.8 Å²	65.8	40%	0.4	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	22.3	-176.2	-61.4	-73.1	0	0	0	113.4	F213 Q214 R215 K219 P220 G221	F213-Y217 HydrophobicContact CD1-CD2 4.36Å; F213-Y217 AromaticContact CD2-CD2 3.71Å; F213-Y217 HydrophobicContact CD2-CD2 3.71Å; F213-Y217 AromaticContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CD2-CE2 3.7Å; F213-Y217 HydrophobicContact CE1-CD2 4.15Å; F213-Y217 AromaticContact CE2-CD2 3.47Å; F213-Y217 HydrophobicContact CE2-CD2 3.47Å; F213-Y217 VanDerWaalsContact CE2-CD2 3.47Å; F213-Y217 AromaticContact CE2-CE2 3.42Å; F213-Y217 HydrophobicContact CE2-CE2 3.42Å; F213-Y217 VanDerWaalsContact CE2-CE2 3.42Å; F213-Y217 HydrophobicContact CG-CD2 4.15Å; F213-Y217 AromaticContact CZ-CD2 3.7Å; F213-Y217 HydrophobicContact CZ-CD2 3.7Å; F213-Y217 HydrophobicContact CZ-CE2 4.07Å; F213-Y217 WeakPolarHBondContact O-CD2 3.37Å; F213-Y217 PolarHBondContact O-N 3.42Å; Q214-Y217 CarbonylContact O-C 3.37Å; Q214-Y217 PolarHBondContact O-N 3.25Å; R215-Y217 PolarHBondContact O-N 3.05Å; Y217-K219 PolarHBondContact O-N 3.02Å; Y217-P220 VanDerWaalsContact O-CD 3.26Å; Y217-P220 WeakPolarHBondContact O-CD 3.47Å; Y217-P220 VanDerWaalsContact O-CG 3.32Å; Y217-P220 WeakPolarHBondContact O-CG 3.16Å; Y217-G221 PolarHBondContact O-N 3.23Å
218	Y	98.5	Very high	98.6	Very high	9 Å²	9	65.8 Å²	65.8	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-46.7	-170.4	-169.6	-113.5	0	0	0	111.9	F146 Q147 N148 D149 Q214 G221 I222	F146-Y218 HydrophobicContact CD2-CE1 4.19Å; F146-Y218 HydrophobicContact CE2-CE1 4.31Å; Q147-Y218 PolarHBondContact N-OH 3.22Å; N148-Y218 WeakPolarHBondContact CA-OH 3.39Å; N148-Y218 PolarHBondContact N-OH 3.2Å; N148-Y218 PolarHBondContact O-OH 3.37Å; D149-Y218 HydrophobicContact CB-CD1 4.45Å; D149-Y218 HydrophobicContact CB-CD2 3.63Å; D149-Y218 HydrophobicContact CB-CE2 3.95Å; D149-Y218 HydrophobicContact CB-CG 3.9Å; Q214-Y218 HydrophobicContact CG-CD2 4.18Å; Q214-Y218 WeakPolarHBondContact O-CA 2.93Å; Q214-Y218 VanDerWaalsContact O-CB 3.31Å; Q214-Y218 WeakPolarHBondContact O-CB 3.36Å; Q214-Y218 PolarHBondContact O-N 2.63Å; Y218-G221 PolarHBondContact O-N 3.08Å; Y218-I222 HydrophobicContact CD1-CG2 4.08Å; Y218-I222 HydrophobicContact CD2-CG2 4.06Å; Y218-I222 HydrophobicContact CE1-CD1 4.31Å; Y218-I222 HydrophobicContact CE1-CG2 3.63Å; Y218-I222 HydrophobicContact CE2-CG2 3.64Å; Y218-I222 HydrophobicContact CG-CG2 4.27Å; Y218-I222 WeakPolarHBondContact O-CG1 3.35Å; Y218-I222 WeakPolarHBondContact O-CG2 3.35Å; Y218-I222 PolarHBondContact O-N 3.21Å
219	K	98.1	Very high	98.6	Very high	140 Å²	140	68 Å²	68	61%	0.609	32%	0.318	S	S	*	.	H	α-helix	trans	-57.8	-55.3	-178.6	-69.3	177.7	-176.6	165.8	0	113.6	Y217 G221 I222 L223	Y217-K219 PolarHBondContact O-N 3.02Å; K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.13Å; K219-I222 WeakPolarHBondContact O-CG1 3.26Å; K219-L223 WeakPolarHBondContact O-CG 3.44Å; K219-L223 PolarHBondContact O-N 3.47Å
220	P	98.3	Very high	98.6	Very high	79 Å²	79	59.2 Å²	59.2	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-35.2	175.2	23.5	-32.1	0	0	0	111.9	Y217 L223 L224	Y217-P220 VanDerWaalsContact O-CD 3.26Å; Y217-P220 WeakPolarHBondContact O-CD 3.47Å; Y217-P220 VanDerWaalsContact O-CG 3.32Å; Y217-P220 WeakPolarHBondContact O-CG 3.16Å; P220-L223 PolarHBondContact O-N 3.12Å; P220-L224 PolarHBondContact O-N 3.31Å
221	G	98.6	Very high	98.6	Very high	19 Å²	19	58.1 Å²	58.1	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-50.2	176.9	0	0	0	0	0	113.1	Y217 Y218 K219 L223 L224 M225	Y217-G221 PolarHBondContact O-N 3.23Å; Y218-G221 PolarHBondContact O-N 3.08Å; K219-G221 VanDerWaalsContact C-N 3.28Å; K219-G221 PolarHBondContact O-N 3.13Å; G221-L223 PolarHBondContact O-N 2.98Å; G221-L224 PolarHBondContact O-N 2.94Å; G221-M225 WeakPolarHBondContact O-CB 3.49Å; G221-M225 VanDerWaalsContact O-CG 3.29Å; G221-M225 WeakPolarHBondContact O-CG 3.47Å; G221-M225 PolarHBondContact O-N 2.88Å
222	I	98.1	Very high	98.6	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-35.8	179.9	61.1	170.1	0	0	0	112.4	T143 F146 Y218 K219 L224 C226	T143-I222 HydrophobicContact CG2-CG2 4.09Å; F146-I222 HydrophobicContact CB-CG2 4.31Å; F146-I222 HydrophobicContact CD2-CB 4.06Å; F146-I222 HydrophobicContact CD2-CD1 3.67Å; F146-I222 HydrophobicContact CD2-CG1 4.45Å; F146-I222 HydrophobicContact CD2-CG2 3.74Å; F146-I222 HydrophobicContact CE1-CD1 4.22Å; F146-I222 HydrophobicContact CE2-CB 4.5Å; F146-I222 HydrophobicContact CE2-CD1 3.22Å; F146-I222 HydrophobicContact CE2-CG1 4.4Å; F146-I222 HydrophobicContact CE2-CG2 4.4Å; F146-I222 HydrophobicContact CG-CB 4.21Å; F146-I222 HydrophobicContact CG-CD1 4.35Å; F146-I222 HydrophobicContact CG-CG2 4.17Å; F146-I222 HydrophobicContact CZ-CD1 3.54Å; Y218-I222 HydrophobicContact CD1-CG2 4.08Å; Y218-I222 HydrophobicContact CD2-CG2 4.06Å; Y218-I222 HydrophobicContact CE1-CD1 4.31Å; Y218-I222 HydrophobicContact CE1-CG2 3.63Å; Y218-I222 HydrophobicContact CE2-CG2 3.64Å; Y218-I222 HydrophobicContact CG-CG2 4.27Å; Y218-I222 WeakPolarHBondContact O-CG1 3.35Å; Y218-I222 WeakPolarHBondContact O-CG2 3.35Å; Y218-I222 PolarHBondContact O-N 3.21Å; K219-I222 WeakPolarHBondContact O-CG1 3.26Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.13Å; I222-C226 WeakPolarHBondContact O-CA 3.26Å; I222-C226 WeakPolarHBondContact O-CB 3.3Å; I222-C226 PolarHBondContact O-N 3.49Å
223	L	98.3	Very high	98.6	Very high	99 Å²	99	60 Å²	60	52%	0.518	29%	0.286	S	S	.	.	I	π-helix	trans	-63.2	-45.1	177.4	-70.9	176.7	0	0	0	110.1	K219 P220 G221 F227 I228	K219-L223 WeakPolarHBondContact O-CG 3.44Å; K219-L223 PolarHBondContact O-N 3.47Å; P220-L223 PolarHBondContact O-N 3.12Å; G221-L223 PolarHBondContact O-N 2.98Å; L223-F227 HydrophobicContact CD2-CD2 4.48Å; L223-F227 PolarHBondContact O-N 3.06Å; L223-I228 HydrophobicContact CB-CD1 4.48Å; L223-I228 VanDerWaalsContact O-CG1 3.32Å; L223-I228 WeakPolarHBondContact O-CG1 3.41Å; L223-I228 PolarHBondContact O-N 3.49Å
224	L	98.7	Very high	98.6	Very high	88 Å²	88	54.2 Å²	54.2	46%	0.461	26%	0.261	S	S	.	.	I	π-helix	trans	-66.7	-55.9	177.3	-179.1	60.9	0	0	0	112	P220 G221 I222 I228 L229	P220-L224 PolarHBondContact O-N 3.31Å; G221-L224 PolarHBondContact O-N 2.94Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.13Å; L224-I228 HydrophobicContact CD1-CB 4.45Å; L224-I228 HydrophobicContact CD1-CG2 4.38Å; L224-I228 PolarHBondContact O-N 3.49Å; L224-L229 WeakPolarHBondContact O-CB 3.38Å; L224-L229 PolarHBondContact O-N 3.5Å
225	M	98.7	Very high	98.6	Very high	28 Å²	28	58.5 Å²	58.5	14%	0.138	28%	0.277	C	S	.	.	I	π-helix	trans	-80.9	-34.5	-168.4	-59.6	-52.4	-56.4	0	0	113.3	Y107 I140 T143 M144 G221 L229 P230	Y107-M225 WeakPolarHBondContact CE1-O 3.15Å; Y107-M225 PolarHBondContact OH-O 3.39Å; I140-M225 HydrophobicContact CG2-CE 3.66Å; T143-M225 HydrophobicContact CG2-CB 4.21Å; T143-M225 HydrophobicContact CG2-CG 4.11Å; M144-M225 HydrophobicContact CE-CE 3.35Å; M144-M225 HydrophobicContact CG-CB 3.97Å; M144-M225 HydrophobicContact CG-CE 3.87Å; M144-M225 HydrophobicContact SD-CE 4.46Å; G221-M225 WeakPolarHBondContact O-CB 3.49Å; G221-M225 VanDerWaalsContact O-CG 3.29Å; G221-M225 WeakPolarHBondContact O-CG 3.47Å; G221-M225 PolarHBondContact O-N 2.88Å; M225-L229 HydrophobicContact CE-CD2 3.92Å; M225-L229 HydrophobicContact SD-CD2 4.27Å; M225-P230 WeakPolarHBondContact O-CD 3.48Å
226	C	98.6	Very high	98.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-89.1	-32.6	-178.1	-164.8	0	0	0	0	112.2	M144 F146 I222 P230 R253	M144-C226 PolarHBondContact O-SG 3.4Å; F146-C226 HydrophobicContact CB-CB 4.02Å; I222-C226 WeakPolarHBondContact O-CA 3.26Å; I222-C226 WeakPolarHBondContact O-CB 3.3Å; I222-C226 PolarHBondContact O-N 3.49Å; C226-P230 WeakPolarHBondContact O-CG 3.5Å; C226-R253 PolarHBondContact O-NH2 3.43Å
227	F	98.7	Very high	98.6	Very high	46 Å²	46	58.2 Å²	58.2	20%	0.202	29%	0.289	C	S	.	.	I	π-helix	trans	-116.6	-56.8	-171.1	-60	-79.6	0	0	0	114.4	F146 L223 T231 T250 L251 Y254	F146-F227 AromaticContact CD1-CE2 3.68Å; F146-F227 HydrophobicContact CD1-CE2 3.68Å; F146-F227 AromaticContact CD1-CZ 3.82Å; F146-F227 HydrophobicContact CD1-CZ 3.82Å; F146-F227 AromaticContact CE1-CE2 3.77Å; F146-F227 HydrophobicContact CE1-CE2 3.77Å; F146-F227 AromaticContact CE1-CZ 3.87Å; F146-F227 HydrophobicContact CE1-CZ 3.87Å; L223-F227 HydrophobicContact CD2-CD2 4.48Å; L223-F227 PolarHBondContact O-N 3.06Å; F227-T231 WeakPolarHBondContact O-CB 3.35Å; F227-T231 PolarHBondContact O-N 2.94Å; F227-T231 PolarHBondContact O-OG1 3.38Å; F227-T250 HydrophobicContact CB-CG2 4.4Å; F227-T250 HydrophobicContact CD1-CG2 3.8Å; F227-L251 HydrophobicContact CE1-CD2 4.3Å; F227-Y254 HydrophobicContact CE1-CD1 4.38Å; F227-Y254 HydrophobicContact CZ-CD1 4.3Å; F227-Y254 HydrophobicContact CZ-CE1 4.2Å
228	I	98.7	Very high	98.6	Very high	83 Å²	83	56 Å²	56	43%	0.426	28%	0.281	S	S	.	.	I	π-helix	trans	-69.2	-58.6	-171.2	-64.4	167.5	0	0	0	110.7	L223 L224 T231 L232	L223-I228 HydrophobicContact CB-CD1 4.48Å; L223-I228 VanDerWaalsContact O-CG1 3.32Å; L223-I228 WeakPolarHBondContact O-CG1 3.41Å; L223-I228 PolarHBondContact O-N 3.49Å; L224-I228 HydrophobicContact CD1-CB 4.45Å; L224-I228 HydrophobicContact CD1-CG2 4.38Å; L224-I228 PolarHBondContact O-N 3.49Å; I228-T231 PolarHBondContact O-N 3.47Å; I228-T231 VanDerWaalsContact O-N 3.12Å; I228-L232 HydrophobicContact CG2-CD1 3.6Å; I228-L232 HydrophobicContact CG2-CG 4.06Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 3.38Å
229	L	98.6	Very high	98.6	Very high	64 Å²	64	58 Å²	58	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-48.9	-175.7	-169.1	67.9	0	0	0	113.1	L224 M225 T231 L232 V233	L224-L229 WeakPolarHBondContact O-CB 3.38Å; L224-L229 PolarHBondContact O-N 3.5Å; M225-L229 HydrophobicContact CE-CD2 3.92Å; M225-L229 HydrophobicContact SD-CD2 4.27Å; L229-T231 PolarHBondContact O-N 3.46Å; L229-L232 PolarHBondContact O-N 2.96Å; L229-V233 HydrophobicContact CD1-CG2 3.75Å; L229-V233 HydrophobicContact CG-CG2 4.04Å; L229-V233 WeakPolarHBondContact O-CB 3.38Å; L229-V233 VanDerWaalsContact O-CG2 3.28Å; L229-V233 WeakPolarHBondContact O-CG2 3.32Å; L229-V233 PolarHBondContact O-N 3.32Å
230	P	98.7	Very high	98.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70	-14.6	178.7	26.3	-33.4	0	0	0	114.5	F103 Y107 M225 C226 P234	F103-P230 HydrophobicContact CE1-CB 4.01Å; F103-P230 HydrophobicContact CZ-CB 4.45Å; Y107-P230 HydrophobicContact CD2-CB 4.42Å; Y107-P230 HydrophobicContact CE1-CB 4.26Å; Y107-P230 HydrophobicContact CE1-CG 4.29Å; Y107-P230 HydrophobicContact CE2-CB 4.18Å; M225-P230 WeakPolarHBondContact O-CD 3.48Å; C226-P230 WeakPolarHBondContact O-CG 3.5Å; P230-P234 WeakPolarHBondContact O-CD 3.45Å; P230-P234 WeakPolarHBondContact O-CG 3.28Å
231	T	98.9	Very high	98.6	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-84.8	-44.7	170.2	-58.8	0	0	0	0	111.5	F227 I228 L229 F242 S245 F246 T250	F227-T231 WeakPolarHBondContact O-CB 3.35Å; F227-T231 PolarHBondContact O-N 2.94Å; F227-T231 PolarHBondContact O-OG1 3.38Å; I228-T231 PolarHBondContact O-N 3.47Å; I228-T231 VanDerWaalsContact O-N 3.12Å; L229-T231 PolarHBondContact O-N 3.46Å; T231-F242 HydrophobicContact CG2-CD2 4.11Å; T231-F242 HydrophobicContact CG2-CE2 3.64Å; T231-F242 HydrophobicContact CG2-CZ 3.93Å; T231-S245 WeakPolarHBondContact O-CB 3.29Å; T231-F246 HydrophobicContact CG2-CB 3.94Å; T231-F246 HydrophobicContact CG2-CD2 4.28Å; T231-T250 PolarHBondContact N-OG1 2.95Å; T231-T250 WeakPolarHBondContact OG1-CB 3.08Å; T231-T250 PolarHBondContact OG1-OG1 2.88Å
232	L	98.7	Very high	98.6	Very high	59 Å²	59	55.2 Å²	55.2	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-76.7	-34.8	-173.8	-62.6	-171.8	0	0	0	112.9	I228 L229 W235 Y236 F242	I228-L232 HydrophobicContact CG2-CD1 3.6Å; I228-L232 HydrophobicContact CG2-CG 4.06Å; I228-L232 WeakPolarHBondContact O-CG 3.42Å; I228-L232 PolarHBondContact O-N 3.38Å; L229-L232 PolarHBondContact O-N 2.96Å; L232-W235 HydrophobicContact CD2-CE3 3.68Å; L232-W235 HydrophobicContact CD2-CZ3 3.95Å; L232-W235 PolarHBondContact O-N 2.61Å; L232-Y236 HydrophobicContact CB-CD2 4.07Å; L232-Y236 HydrophobicContact CB-CE2 4.28Å; L232-Y236 HydrophobicContact CD2-CE2 4.14Å; L232-Y236 VanDerWaalsContact O-CD2 3.32Å; L232-Y236 WeakPolarHBondContact O-CD2 3.37Å; L232-Y236 PolarHBondContact O-N 2.88Å; L232-F242 HydrophobicContact CD2-CE2 4.43Å
233	V	98.8	Very high	98.6	Very high	35 Å²	35	58.1 Å²	58.1	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-51.7	-178.2	168	0	0	0	0	111.7	F103 L229 W235 Y236 C237 W238	F103-V233 HydrophobicContact CD2-CG1 4.14Å; F103-V233 HydrophobicContact CE2-CB 4.16Å; F103-V233 HydrophobicContact CE2-CG1 3.58Å; F103-V233 HydrophobicContact CZ-CB 3.87Å; F103-V233 HydrophobicContact CZ-CG1 3.82Å; F103-V233 HydrophobicContact CZ-CG2 4.47Å; L229-V233 HydrophobicContact CD1-CG2 3.75Å; L229-V233 HydrophobicContact CG-CG2 4.04Å; L229-V233 WeakPolarHBondContact O-CB 3.38Å; L229-V233 VanDerWaalsContact O-CG2 3.28Å; L229-V233 WeakPolarHBondContact O-CG2 3.32Å; L229-V233 PolarHBondContact O-N 3.32Å; V233-W235 VanDerWaalsContact C-N 3.3Å; V233-W235 PolarHBondContact O-N 2.86Å; V233-Y236 PolarHBondContact O-N 3.04Å; V233-C237 WeakPolarHBondContact O-CB 3.38Å; V233-C237 PolarHBondContact O-N 3.09Å; V233-C237 PolarHBondContact O-SG 3.25Å; V233-C237 VanDerWaalsContact O-SG 3.4Å; V233-W238 HydrophobicContact CG1-CH2 3.83Å; V233-W238 HydrophobicContact CG1-CZ3 3.82Å
234	P	98.8	Very high	98.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-37.2	176.8	-21.7	32.4	0	0	0	114	T100 F103 P230 W238 G239 E240 A249	T100-P234 HydrophobicContact CG2-CB 4.46Å; F103-P234 HydrophobicContact CD1-CG 3.75Å; F103-P234 HydrophobicContact CE1-CG 3.92Å; F103-P234 HydrophobicContact CG-CG 4.5Å; P230-P234 WeakPolarHBondContact O-CD 3.45Å; P230-P234 WeakPolarHBondContact O-CG 3.28Å; P234-W238 HydrophobicContact CB-CH2 4.06Å; P234-W238 HydrophobicContact CB-CZ2 3.28Å; P234-W238 HydrophobicContact CG-CH2 3.98Å; P234-W238 HydrophobicContact CG-CZ2 3.53Å; P234-G239 PolarHBondContact O-N 3.02Å; P234-E240 HydrophobicContact CB-CB 3.98Å; P234-E240 HydrophobicContact CB-CG 4.4Å; P234-E240 WeakPolarHBondContact O-CB 3.47Å; P234-E240 PolarHBondContact O-N 3.12Å; P234-E240 VanDerWaalsContact O-N 3.13Å; P234-A249 HydrophobicContact CG-CB 3.93Å
235	W	98.7	Very high	98.6	Very high	100 Å²	100	49.6 Å²	49.6	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-46.3	-179.5	-176.1	30.5	0	0	0	112.1	L232 V233 G239 F242	L232-W235 HydrophobicContact CD2-CE3 3.68Å; L232-W235 HydrophobicContact CD2-CZ3 3.95Å; L232-W235 PolarHBondContact O-N 2.61Å; V233-W235 VanDerWaalsContact C-N 3.3Å; V233-W235 PolarHBondContact O-N 2.86Å; W235-G239 WeakPolarHBondContact O-CA 3.35Å; W235-G239 PolarHBondContact O-N 3.22Å; W235-F242 HydrophobicContact CD2-CB 4.48Å; W235-F242 AromaticContact CD2-CD2 3.97Å; W235-F242 HydrophobicContact CD2-CD2 3.97Å; W235-F242 AromaticContact CE3-CD2 3.81Å; W235-F242 HydrophobicContact CE3-CD2 3.81Å; W235-F242 HydrophobicContact CE3-CE2 4.37Å; W235-F242 HydrophobicContact CZ3-CD2 4.11Å; W235-F242 HydrophobicContact CZ3-CE2 4.47Å
236	Y	98.6	Very high	98.6	Very high	163 Å²	163	51.4 Å²	51.4	64%	0.639	26%	0.262	S	S	*	.	H	α-helix	trans	-87.1	-36.7	-177.3	-75	-71.8	0	0	0	114.2	L232 V233	L232-Y236 HydrophobicContact CB-CD2 4.07Å; L232-Y236 HydrophobicContact CB-CE2 4.28Å; L232-Y236 HydrophobicContact CD2-CE2 4.14Å; L232-Y236 VanDerWaalsContact O-CD2 3.32Å; L232-Y236 WeakPolarHBondContact O-CD2 3.37Å; L232-Y236 PolarHBondContact O-N 2.88Å; V233-Y236 PolarHBondContact O-N 3.04Å
237	C	98.6	Very high	98.6	Very high	89 Å²	89	54.5 Å²	54.5	60%	0.601	27%	0.274	S	S	*	.	H	α-helix	trans	-83	-28.8	-169.3	-65.1	0	0	0	0	114	V233	V233-C237 WeakPolarHBondContact O-CB 3.38Å; V233-C237 PolarHBondContact O-N 3.09Å; V233-C237 PolarHBondContact O-SG 3.25Å; V233-C237 VanDerWaalsContact O-SG 3.4Å
238	W	98.5	Very high	98.6	Very high	57 Å²	57	52.7 Å²	52.7	22%	0.216	27%	0.267	C	S	.	.	S	Bend	trans	-140.1	18.8	178.6	56	82.8	0	0	0	113.8	K97 Y99 T100 F103 V233 P234 E240	K97-W238 VanDerWaalsContact CD-O 3.27Å; K97-W238 WeakPolarHBondContact CD-O 2.95Å; K97-W238 WeakPolarHBondContact CE-O 3.33Å; Y99-W238 HydrophobicContact CD2-CB 3.93Å; Y99-W238 HydrophobicContact CD2-CG 4.15Å; Y99-W238 WeakPolarHBondContact O-CZ2 3.41Å; T100-W238 PolarHBondContact OG1-NE1 2.95Å; F103-W238 HydrophobicContact CB-CH2 3.51Å; F103-W238 HydrophobicContact CB-CZ2 3.67Å; F103-W238 HydrophobicContact CD1-CH2 4.19Å; F103-W238 HydrophobicContact CD1-CZ2 4.41Å; F103-W238 AromaticContact CD2-CH2 3.73Å; F103-W238 HydrophobicContact CD2-CH2 3.73Å; F103-W238 HydrophobicContact CE2-CH2 4.48Å; F103-W238 AromaticContact CG-CH2 3.54Å; F103-W238 HydrophobicContact CG-CH2 3.54Å; F103-W238 HydrophobicContact CG-CZ2 4.01Å; V233-W238 HydrophobicContact CG1-CH2 3.83Å; V233-W238 HydrophobicContact CG1-CZ3 3.82Å; P234-W238 HydrophobicContact CB-CH2 4.06Å; P234-W238 HydrophobicContact CB-CZ2 3.28Å; P234-W238 HydrophobicContact CG-CH2 3.98Å; P234-W238 HydrophobicContact CG-CZ2 3.53Å; W238-E240 VanDerWaalsContact C-N 3.32Å; W238-E240 PolarHBondContact O-N 2.87Å
239	G	98.1	Very high	98.6	Very high	50 Å²	50	48.7 Å²	48.7	52%	0.515	25%	0.247	S	C	.	.			trans	63.9	33.4	171.4	0	0	0	0	0	113.8	K97 P234 W235	K97-G239 VanDerWaalsContact CE-C 3.45Å; K97-G239 WeakPolarHBondContact CE-O 3.43Å; P234-G239 PolarHBondContact O-N 3.02Å; W235-G239 WeakPolarHBondContact O-CA 3.35Å; W235-G239 PolarHBondContact O-N 3.22Å
240	E	98.6	Very high	98.7	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.028	23%	0.231	C	C	.	.			trans	-65	152.6	169.6	-175.3	59	-86.2	0	0	110.4	C96 K97 T100 P234 W238 N244 S245	C96-E240 WeakPolarHBondContact CA-OE2 3.42Å; K97-E240 HydrophobicContact CD-CB 4.45Å; K97-E240 PolarHBondContact N-OE2 3Å; T100-E240 WeakPolarHBondContact CB-OE2 3.23Å; T100-E240 HydrophobicContact CG2-CG 4.06Å; T100-E240 VanDerWaalsContact OG1-CG 3.29Å; T100-E240 WeakPolarHBondContact OG1-CG 3.46Å; T100-E240 PolarHBondContact OG1-OE2 3.47Å; P234-E240 HydrophobicContact CB-CB 3.98Å; P234-E240 HydrophobicContact CB-CG 4.4Å; P234-E240 WeakPolarHBondContact O-CB 3.47Å; P234-E240 PolarHBondContact O-N 3.12Å; P234-E240 VanDerWaalsContact O-N 3.13Å; W238-E240 VanDerWaalsContact C-N 3.32Å; W238-E240 PolarHBondContact O-N 2.87Å; E240-N244 HydrophobicContact CG-CB 3.76Å; E240-N244 PolarHBondContact OE1-ND2 2.94Å; E240-S245 WeakPolarHBondContact CG-OG 3.49Å
241	T	98.6	Very high	98.7	Very high	73 Å²	73	46.5 Å²	46.5	45%	0.448	24%	0.235	S	C	.	.			trans	-64.7	146.4	172.6	69.9	0	0	0	0	110.6	L243 N244 S245	T241-L243 PolarHBondContact O-N 3.02Å; T241-N244 PolarHBondContact O-N 3.46Å; T241-N244 VanDerWaalsContact OG1-CB 3.29Å; T241-N244 WeakPolarHBondContact OG1-CB 3.39Å; T241-N244 VanDerWaalsContact OG1-CG 3.23Å; T241-N244 PolarHBondContact OG1-N 3.32Å; T241-N244 VanDerWaalsContact OG1-N 3.13Å; T241-S245 WeakPolarHBondContact O-CB 3.3Å; T241-S245 PolarHBondContact O-N 3.24Å; T241-S245 PolarHBondContact O-OG 3.28Å
242	F	98.6	Very high	98.7	Very high	101 Å²	101	47.4 Å²	47.4	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-56.9	-38.8	175.2	-176.5	-90.5	0	0	0	111.3	T231 L232 W235 S245 F246	T231-F242 HydrophobicContact CG2-CD2 4.11Å; T231-F242 HydrophobicContact CG2-CE2 3.64Å; T231-F242 HydrophobicContact CG2-CZ 3.93Å; L232-F242 HydrophobicContact CD2-CE2 4.43Å; W235-F242 HydrophobicContact CD2-CB 4.48Å; W235-F242 AromaticContact CD2-CD2 3.97Å; W235-F242 HydrophobicContact CD2-CD2 3.97Å; W235-F242 AromaticContact CE3-CD2 3.81Å; W235-F242 HydrophobicContact CE3-CD2 3.81Å; W235-F242 HydrophobicContact CE3-CE2 4.37Å; W235-F242 HydrophobicContact CZ3-CD2 4.11Å; W235-F242 HydrophobicContact CZ3-CE2 4.47Å; F242-S245 PolarHBondContact O-N 3.16Å; F242-F246 HydrophobicContact CE1-CB 4.37Å; F242-F246 WeakPolarHBondContact O-CB 3.31Å; F242-F246 PolarHBondContact O-N 3.35Å
243	L	98.5	Very high	98.7	Very high	75 Å²	75	45.1 Å²	45.1	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-53	178	-169.9	75.9	0	0	0	111.7	Y88 L92 T241 S245 F246 Y247	Y88-L243 HydrophobicContact CE1-CD1 4.45Å; L92-L243 HydrophobicContact CD1-CD2 4.21Å; L92-L243 HydrophobicContact CD1-CG 4.11Å; L92-L243 HydrophobicContact CD2-CD2 4.42Å; T241-L243 PolarHBondContact O-N 3.02Å; L243-S245 PolarHBondContact O-N 3.07Å; L243-F246 PolarHBondContact O-N 3.28Å; L243-Y247 HydrophobicContact CD1-CD2 3.61Å; L243-Y247 HydrophobicContact CD1-CE2 3.48Å; L243-Y247 VanDerWaalsContact CD1-CE2 3.48Å; L243-Y247 HydrophobicContact CG-CD2 4.02Å; L243-Y247 HydrophobicContact CG-CE2 4.38Å; L243-Y247 WeakPolarHBondContact O-CD2 3.25Å; L243-Y247 PolarHBondContact O-N 2.9Å
244	N	98.6	Very high	98.7	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-42.2	178.4	-74.2	3	0	0	0	111.5	S95 E240 T241 F246 V248	S95-N244 PolarHBondContact O-ND2 3.22Å; S95-N244 PolarHBondContact OG-ND2 3.49Å; S95-N244 VanDerWaalsContact OG-ND2 3.16Å; E240-N244 HydrophobicContact CG-CB 3.76Å; E240-N244 PolarHBondContact OE1-ND2 2.94Å; T241-N244 PolarHBondContact O-N 3.46Å; T241-N244 VanDerWaalsContact OG1-CB 3.29Å; T241-N244 WeakPolarHBondContact OG1-CB 3.39Å; T241-N244 VanDerWaalsContact OG1-CG 3.23Å; T241-N244 PolarHBondContact OG1-N 3.32Å; T241-N244 VanDerWaalsContact OG1-N 3.13Å; N244-F246 VanDerWaalsContact C-N 3.33Å; N244-F246 PolarHBondContact O-N 3.38Å; N244-V248 WeakPolarHBondContact O-CA 3.38Å; N244-V248 WeakPolarHBondContact O-CB 3.26Å; N244-V248 PolarHBondContact O-N 3.4Å
245	S	98.7	Very high	98.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-60.2	-43.5	178	-50.3	0	0	0	0	111.9	T231 E240 T241 F242 L243 A249 T250	T231-S245 WeakPolarHBondContact O-CB 3.29Å; E240-S245 WeakPolarHBondContact CG-OG 3.49Å; T241-S245 WeakPolarHBondContact O-CB 3.3Å; T241-S245 PolarHBondContact O-N 3.24Å; T241-S245 PolarHBondContact O-OG 3.28Å; F242-S245 PolarHBondContact O-N 3.16Å; L243-S245 PolarHBondContact O-N 3.07Å; S245-A249 WeakPolarHBondContact O-CB 3.23Å; S245-A249 PolarHBondContact O-N 3.19Å; S245-T250 PolarHBondContact O-N 3.28Å; S245-T250 VanDerWaalsContact O-N 3.16Å
246	F	98.8	Very high	98.7	Very high	66 Å²	66	43 Å²	43	29%	0.289	22%	0.223	S	C	.	.	I	π-helix	trans	-72.8	-50.3	-179.8	-177.6	-111	0	0	0	112.4	T231 F242 L243 N244 T250 L251	T231-F246 HydrophobicContact CG2-CB 3.94Å; T231-F246 HydrophobicContact CG2-CD2 4.28Å; F242-F246 HydrophobicContact CE1-CB 4.37Å; F242-F246 WeakPolarHBondContact O-CB 3.31Å; F242-F246 PolarHBondContact O-N 3.35Å; L243-F246 PolarHBondContact O-N 3.28Å; N244-F246 VanDerWaalsContact C-N 3.33Å; N244-F246 PolarHBondContact O-N 3.38Å; F246-T250 HydrophobicContact CD2-CG2 4.49Å; F246-T250 WeakPolarHBondContact O-CB 3.33Å; F246-T250 PolarHBondContact O-N 3.08Å; F246-L251 HydrophobicContact CD1-CD1 4.17Å; F246-L251 HydrophobicContact CE1-CD1 3.59Å; F246-L251 HydrophobicContact CE1-CG 4.13Å; F246-L251 HydrophobicContact CE2-CD2 4.47Å; F246-L251 HydrophobicContact CE2-CG 4.49Å; F246-L251 HydrophobicContact CZ-CD1 3.91Å; F246-L251 HydrophobicContact CZ-CD2 4.19Å; F246-L251 HydrophobicContact CZ-CG 4.12Å; F246-L251 PolarHBondContact O-N 3.2Å
247	Y	98.8	Very high	98.7	Very high	65 Å²	65	35.3 Å²	35.3	26%	0.255	19%	0.193	S	C	.	.	I	π-helix	trans	-77.9	-34.2	-174.8	-78.2	-76.8	0	0	0	113.4	G85 Y88 L92 L243 L251 L252	G85-Y247 VanDerWaalsContact O-CD1 3.31Å; G85-Y247 WeakPolarHBondContact O-CD1 3.47Å; Y88-Y247 AromaticContact CD1-CD1 3.73Å; Y88-Y247 HydrophobicContact CD1-CD1 3.73Å; Y88-Y247 AromaticContact CD1-CD2 3.97Å; Y88-Y247 HydrophobicContact CD1-CD2 3.97Å; Y88-Y247 AromaticContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE1 3.8Å; Y88-Y247 HydrophobicContact CD1-CE2 4.05Å; Y88-Y247 AromaticContact CD1-CG 3.8Å; Y88-Y247 HydrophobicContact CD1-CG 3.8Å; Y88-Y247 AromaticContact CD1-CZ 3.95Å; Y88-Y247 HydrophobicContact CE1-CD2 4.02Å; Y88-Y247 HydrophobicContact CE1-CE2 4.03Å; Y88-Y247 HydrophobicContact CE1-CG 4.29Å; L92-Y247 HydrophobicContact CD1-CD2 4.39Å; L92-Y247 HydrophobicContact CD1-CG 4.37Å; L243-Y247 HydrophobicContact CD1-CD2 3.61Å; L243-Y247 HydrophobicContact CD1-CE2 3.48Å; L243-Y247 VanDerWaalsContact CD1-CE2 3.48Å; L243-Y247 HydrophobicContact CG-CD2 4.02Å; L243-Y247 HydrophobicContact CG-CE2 4.38Å; L243-Y247 WeakPolarHBondContact O-CD2 3.25Å; L243-Y247 PolarHBondContact O-N 2.9Å; Y247-L251 HydrophobicContact CD1-CD1 3.79Å; Y247-L251 HydrophobicContact CE1-CD1 3.92Å; Y247-L252 VanDerWaalsContact O-CB 3.28Å; Y247-L252 WeakPolarHBondContact O-CB 3.47Å; Y247-L252 PolarHBondContact O-N 2.66Å
248	V	98.8	Very high	98.7	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	17%	0.166	C	C	.	.	I	π-helix	trans	-93.5	-63.7	-177.8	-176.4	0	0	0	0	111.6	G89 L92 V93 N244 T250 L252 R253	G89-V248 WeakPolarHBondContact O-CG2 3.49Å; L92-V248 HydrophobicContact CB-CG2 3.94Å; V93-V248 HydrophobicContact CG2-CG1 4.03Å; V93-V248 HydrophobicContact CG2-CG2 4.33Å; N244-V248 WeakPolarHBondContact O-CA 3.38Å; N244-V248 WeakPolarHBondContact O-CB 3.26Å; N244-V248 PolarHBondContact O-N 3.4Å; V248-T250 PolarHBondContact O-N 2.86Å; V248-L252 HydrophobicContact CG1-CD2 4.43Å; V248-R253 PolarHBondContact O-N 3.42Å; V248-R253 VanDerWaalsContact O-N 3.16Å
249	A	98.7	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-70.6	-18.6	-175	0	0	0	0	0	113.1	T100 F103 A104 P234 S245 R253	T100-A249 HydrophobicContact CG2-CB 4.16Å; F103-A249 HydrophobicContact CD1-CB 4.25Å; A104-A249 HydrophobicContact CB-CB 4.38Å; P234-A249 HydrophobicContact CG-CB 3.93Å; S245-A249 WeakPolarHBondContact O-CB 3.23Å; S245-A249 PolarHBondContact O-N 3.19Å; A249-R253 WeakPolarHBondContact O-CB 3.5Å; A249-R253 PolarHBondContact O-NE 3.39Å; A249-R253 PolarHBondContact O-NH1 3.3Å
250	T	98.8	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-107.3	-69.7	178.1	-65.9	0	0	0	0	114.3	F227 T231 S245 F246 V248 R253 Y254	F227-T250 HydrophobicContact CB-CG2 4.4Å; F227-T250 HydrophobicContact CD1-CG2 3.8Å; T231-T250 PolarHBondContact N-OG1 2.95Å; T231-T250 WeakPolarHBondContact OG1-CB 3.08Å; T231-T250 PolarHBondContact OG1-OG1 2.88Å; S245-T250 PolarHBondContact O-N 3.28Å; S245-T250 VanDerWaalsContact O-N 3.16Å; F246-T250 HydrophobicContact CD2-CG2 4.49Å; F246-T250 WeakPolarHBondContact O-CB 3.33Å; F246-T250 PolarHBondContact O-N 3.08Å; V248-T250 PolarHBondContact O-N 2.86Å; T250-R253 VanDerWaalsContact CA-NH2 3.32Å; T250-R253 PolarHBondContact O-NE 3.48Å; T250-R253 PolarHBondContact O-NH2 3.06Å; T250-Y254 WeakPolarHBondContact O-CB 3.36Å; T250-Y254 PolarHBondContact O-N 2.64Å
251	L	98.8	Very high	98.7	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.089	15%	0.15	C	C	.	.	I	π-helix	trans	-72.1	-52	-171.2	-64.2	-172.9	0	0	0	113.3	L82 F227 F246 Y247 Y254 A255	L82-L251 HydrophobicContact CD1-CB 4.32Å; L82-L251 HydrophobicContact CD1-CD2 3.95Å; F227-L251 HydrophobicContact CE1-CD2 4.3Å; F246-L251 HydrophobicContact CD1-CD1 4.17Å; F246-L251 HydrophobicContact CE1-CD1 3.59Å; F246-L251 HydrophobicContact CE1-CG 4.13Å; F246-L251 HydrophobicContact CE2-CD2 4.47Å; F246-L251 HydrophobicContact CE2-CG 4.49Å; F246-L251 HydrophobicContact CZ-CD1 3.91Å; F246-L251 HydrophobicContact CZ-CD2 4.19Å; F246-L251 HydrophobicContact CZ-CG 4.12Å; F246-L251 PolarHBondContact O-N 3.2Å; Y247-L251 HydrophobicContact CD1-CD1 3.79Å; Y247-L251 HydrophobicContact CE1-CD1 3.92Å; L251-Y254 PolarHBondContact O-N 2.99Å; L251-A255 WeakPolarHBondContact O-CB 3.26Å; L251-A255 PolarHBondContact O-N 3.45Å
252	L	98.9	Very high	98.7	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.126	13%	0.131	C	C	.	.	I	π-helix	trans	-59.6	-51.2	177.2	174.4	58.9	0	0	0	110.6	A86 I90 V93 Y247 V248 Y254 A255 V256	A86-L252 HydrophobicContact CB-CB 4.43Å; A86-L252 HydrophobicContact CB-CD1 4.17Å; I90-L252 HydrophobicContact CD1-CD1 4.26Å; I90-L252 HydrophobicContact CG1-CD1 3.69Å; I90-L252 HydrophobicContact CG1-CD2 3.96Å; I90-L252 HydrophobicContact CG1-CG 4.49Å; V93-L252 HydrophobicContact CG2-CD2 3.84Å; Y247-L252 VanDerWaalsContact O-CB 3.28Å; Y247-L252 WeakPolarHBondContact O-CB 3.47Å; Y247-L252 PolarHBondContact O-N 2.66Å; V248-L252 HydrophobicContact CG1-CD2 4.43Å; L252-Y254 VanDerWaalsContact C-N 3.29Å; L252-Y254 PolarHBondContact O-N 2.72Å; L252-A255 PolarHBondContact O-N 3.29Å; L252-V256 HydrophobicContact CD1-CG2 3.84Å; L252-V256 HydrophobicContact CG-CG2 4.34Å; L252-V256 VanDerWaalsContact O-CG2 3.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.46Å; L252-V256 PolarHBondContact O-N 3.47Å
253	R	98.8	Very high	98.7	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-53.5	-44.3	176.2	175.2	-75.6	-36.7	-112.5	9.1	112.1	A104 C226 V248 A249 T250 V256 V257	A104-R253 HydrophobicContact CB-CB 4.41Å; A104-R253 HydrophobicContact CB-CG 4.44Å; A104-R253 WeakPolarHBondContact O-CG 3.19Å; C226-R253 PolarHBondContact O-NH2 3.43Å; V248-R253 PolarHBondContact O-N 3.42Å; V248-R253 VanDerWaalsContact O-N 3.16Å; A249-R253 WeakPolarHBondContact O-CB 3.5Å; A249-R253 PolarHBondContact O-NE 3.39Å; A249-R253 PolarHBondContact O-NH1 3.3Å; T250-R253 VanDerWaalsContact CA-NH2 3.32Å; T250-R253 PolarHBondContact O-NE 3.48Å; T250-R253 PolarHBondContact O-NH2 3.06Å; R253-V256 PolarHBondContact O-N 2.86Å; R253-V257 WeakPolarHBondContact O-CG2 3.5Å; R253-V257 PolarHBondContact O-N 2.86Å
254	Y	98.8	Very high	98.7	Very high	20 Å²	20	21.6 Å²	21.6	8%	0.078	11%	0.11	C	C	.	.	H	α-helix	trans	-67.9	-44.2	178.2	176.5	-137.5	0	0	0	112.3	L82 A145 F146 F227 T250 L251 L252 V256 V257 L258	L82-Y254 HydrophobicContact CD1-CD1 3.75Å; L82-Y254 HydrophobicContact CD1-CE1 4.39Å; L82-Y254 HydrophobicContact CD2-CD1 3.73Å; L82-Y254 HydrophobicContact CD2-CE1 3.66Å; L82-Y254 HydrophobicContact CG-CD1 4.42Å; A145-Y254 VanDerWaalsContact O-CE2 3.31Å; A145-Y254 WeakPolarHBondContact O-CE2 3.32Å; F146-Y254 HydrophobicContact CB-CE2 3.84Å; F146-Y254 AromaticContact CD1-CE1 3.77Å; F146-Y254 HydrophobicContact CD1-CE1 3.77Å; F146-Y254 HydrophobicContact CD1-CE2 4.19Å; F146-Y254 AromaticContact CD1-CZ 3.42Å; F146-Y254 VanDerWaalsContact CD1-CZ 3.42Å; F146-Y254 WeakPolarHBondContact CD1-OH 3.36Å; F146-Y254 HydrophobicContact CE1-CE1 4.3Å; F146-Y254 HydrophobicContact CG-CE2 4.36Å; F146-Y254 AromaticContact CG-CZ 3.93Å; F146-Y254 WeakPolarHBondContact CG-OH 3.32Å; F146-Y254 PolarHBondContact O-OH 2.86Å; F227-Y254 HydrophobicContact CE1-CD1 4.38Å; F227-Y254 HydrophobicContact CZ-CD1 4.3Å; F227-Y254 HydrophobicContact CZ-CE1 4.2Å; T250-Y254 WeakPolarHBondContact O-CB 3.36Å; T250-Y254 PolarHBondContact O-N 2.64Å; L251-Y254 PolarHBondContact O-N 2.99Å; L252-Y254 VanDerWaalsContact C-N 3.29Å; L252-Y254 PolarHBondContact O-N 2.72Å; Y254-V256 VanDerWaalsContact C-N 3.29Å; Y254-V256 PolarHBondContact O-N 2.64Å; Y254-V257 PolarHBondContact O-N 3.32Å; Y254-L258 HydrophobicContact CD1-CD1 4.43Å; Y254-L258 HydrophobicContact CD2-CD1 4.33Å; Y254-L258 HydrophobicContact CD2-CG 4.01Å; Y254-L258 HydrophobicContact CE1-CD1 3.92Å; Y254-L258 HydrophobicContact CE2-CD1 3.8Å; Y254-L258 HydrophobicContact CE2-CD2 3.66Å; Y254-L258 HydrophobicContact CE2-CG 3.56Å; Y254-L258 WeakPolarHBondContact O-CG 3.33Å; Y254-L258 PolarHBondContact O-N 3.41Å
255	A	98.8	Very high	98.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-38.9	176.3	0	0	0	0	0	112	L82 A86 L251 L252 L258 N259	L82-A255 HydrophobicContact CD1-CB 4.47Å; L82-A255 HydrophobicContact CG-CB 4.36Å; A86-A255 HydrophobicContact CB-CB 3.51Å; L251-A255 WeakPolarHBondContact O-CB 3.26Å; L251-A255 PolarHBondContact O-N 3.45Å; L252-A255 PolarHBondContact O-N 3.29Å; A255-L258 PolarHBondContact O-N 2.85Å; A255-N259 PolarHBondContact O-N 3.25Å; A255-N259 PolarHBondContact O-ND2 3.45Å
256	V	98.7	Very high	98.7	Very high	67 Å²	67	22.1 Å²	22.1	41%	0.406	11%	0.113	S	C	.	.	H	α-helix	trans	-66.2	-43.3	175.7	177.5	0	0	0	0	111	Y108 L252 R253 Y254 L258 N259 A260	Y108-V256 HydrophobicContact CD2-CG1 4.06Å; Y108-V256 HydrophobicContact CE2-CB 4.46Å; Y108-V256 HydrophobicContact CE2-CG1 3.67Å; L252-V256 HydrophobicContact CD1-CG2 3.84Å; L252-V256 HydrophobicContact CG-CG2 4.34Å; L252-V256 VanDerWaalsContact O-CG2 3.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.46Å; L252-V256 PolarHBondContact O-N 3.47Å; R253-V256 PolarHBondContact O-N 2.86Å; Y254-V256 VanDerWaalsContact C-N 3.29Å; Y254-V256 PolarHBondContact O-N 2.64Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3.46Å; V256-N259 PolarHBondContact O-N 3.07Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.45Å; V256-A260 PolarHBondContact O-N 3.03Å
257	V	98.8	Very high	98.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-55.5	-49.1	172.6	170.2	0	0	0	0	110.8	Y108 I112 I115 A145 R253 Y254 A260 T261	Y108-V257 HydrophobicContact CD2-CB 4.41Å; Y108-V257 HydrophobicContact CD2-CG2 3.43Å; Y108-V257 VanDerWaalsContact CD2-CG2 3.43Å; Y108-V257 HydrophobicContact CE2-CB 4.5Å; Y108-V257 HydrophobicContact CE2-CG2 3.92Å; Y108-V257 HydrophobicContact CG-CG2 4.29Å; I112-V257 HydrophobicContact CD1-CG1 4.06Å; I115-V257 HydrophobicContact CD1-CG1 4.15Å; A145-V257 HydrophobicContact CB-CG1 4.43Å; R253-V257 WeakPolarHBondContact O-CG2 3.5Å; R253-V257 PolarHBondContact O-N 2.86Å; Y254-V257 PolarHBondContact O-N 3.32Å; V257-A260 PolarHBondContact O-N 2.89Å; V257-T261 PolarHBondContact O-N 3.11Å; V257-T261 VanDerWaalsContact O-N 3.09Å; V257-T261 PolarHBondContact O-OG1 3.36Å; V257-T261 VanDerWaalsContact O-OG1 3.07Å
258	L	98.7	Very high	98.6	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-53.6	-179.8	-72.4	-179.9	0	0	0	112.2	L82 Q147 Y254 A255 V256 A260 T261 W262	L82-L258 HydrophobicContact CD2-CD1 3.62Å; Q147-L258 HydrophobicContact CG-CD2 3.93Å; Y254-L258 HydrophobicContact CD1-CD1 4.43Å; Y254-L258 HydrophobicContact CD2-CD1 4.33Å; Y254-L258 HydrophobicContact CD2-CG 4.01Å; Y254-L258 HydrophobicContact CE1-CD1 3.92Å; Y254-L258 HydrophobicContact CE2-CD1 3.8Å; Y254-L258 HydrophobicContact CE2-CD2 3.66Å; Y254-L258 HydrophobicContact CE2-CG 3.56Å; Y254-L258 WeakPolarHBondContact O-CG 3.33Å; Y254-L258 PolarHBondContact O-N 3.41Å; A255-L258 PolarHBondContact O-N 2.85Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3.46Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 3.49Å; L258-T261 PolarHBondContact O-N 3.32Å; L258-T261 VanDerWaalsContact O-N 3.14Å; L258-W262 HydrophobicContact CB-CD2 4.27Å; L258-W262 HydrophobicContact CB-CE3 4.43Å; L258-W262 HydrophobicContact CB-CH2 3.84Å; L258-W262 HydrophobicContact CB-CZ2 3.68Å; L258-W262 HydrophobicContact CB-CZ3 4.23Å; L258-W262 HydrophobicContact CD1-CH2 3.81Å; L258-W262 HydrophobicContact CD1-CZ2 3.76Å; L258-W262 HydrophobicContact CD2-CZ2 3.92Å; L258-W262 HydrophobicContact CG-CH2 4.35Å; L258-W262 HydrophobicContact CG-CZ2 4Å; L258-W262 WeakPolarHBondContact O-CB 3.38Å; L258-W262 PolarHBondContact O-N 2.98Å
259	N	98.8	Very high	98.6	Very high	48 Å²	48	16.1 Å²	16.1	26%	0.257	9%	0.089	S	C	.	.	H	α-helix	trans	-65.1	-35.9	-176.9	-76.9	-92.4	0	0	0	111.6	H83 H181 A255 V256 T261 W262 L263	H83-N259 PolarHBondContact NE2-ND2 3.43Å; H181-N259 PolarHBondContact NE2-OD1 2.96Å; H181-N259 VanDerWaalsContact NE2-OD1 3.14Å; A255-N259 PolarHBondContact O-N 3.25Å; A255-N259 PolarHBondContact O-ND2 3.45Å; V256-N259 PolarHBondContact O-N 3.07Å; N259-T261 VanDerWaalsContact C-N 3.35Å; N259-T261 PolarHBondContact O-N 3.28Å; N259-W262 PolarHBondContact O-N 3.12Å; N259-L263 VanDerWaalsContact O-CG 3.28Å; N259-L263 WeakPolarHBondContact O-CG 3.42Å; N259-L263 PolarHBondContact O-N 2.85Å
260	A	98.5	Very high	98.6	Very high	10 Å²	10	19.2 Å²	19.2	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-41.2	173.6	0	0	0	0	0	112.1	Y108 I112 V256 V257 L258	Y108-A260 HydrophobicContact CE2-CB 4.36Å; Y108-A260 VanDerWaalsContact OH-CB 3.27Å; Y108-A260 WeakPolarHBondContact OH-CB 3.39Å; I112-A260 HydrophobicContact CD1-CB 4.43Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.45Å; V256-A260 PolarHBondContact O-N 3.03Å; V257-A260 PolarHBondContact O-N 2.89Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 3.49Å
261	T	98.5	Very high	98.5	Very high	15 Å²	15	25.6 Å²	25.6	9%	0.092	13%	0.13	C	C	.	.	H	α-helix	trans	-69.4	-43.7	174	-50.9	0	0	0	0	112	I115 Q147 V257 L258 N259 L263 V264	I115-T261 WeakPolarHBondContact CD1-OG1 3.39Å; I115-T261 HydrophobicContact CG2-CG2 4.43Å; Q147-T261 PolarHBondContact NE2-OG1 2.66Å; V257-T261 PolarHBondContact O-N 3.11Å; V257-T261 VanDerWaalsContact O-N 3.09Å; V257-T261 PolarHBondContact O-OG1 3.36Å; V257-T261 VanDerWaalsContact O-OG1 3.07Å; L258-T261 PolarHBondContact O-N 3.32Å; L258-T261 VanDerWaalsContact O-N 3.14Å; N259-T261 VanDerWaalsContact C-N 3.35Å; N259-T261 PolarHBondContact O-N 3.28Å; T261-L263 PolarHBondContact O-N 3.49Å; T261-V264 VanDerWaalsContact O-CB 3.24Å; T261-V264 WeakPolarHBondContact O-CB 3.48Å; T261-V264 WeakPolarHBondContact O-CG2 3.29Å; T261-V264 PolarHBondContact O-N 2.79Å
262	W	98.7	Very high	98.5	Very high	10 Å²	10	26.4 Å²	26.4	4%	0.038	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-24.6	-178	-62.8	-16	0	0	0	113.9	M79 H83 H181 V182 L185 L258 N259 V264 N265 S266	M79-W262 HydrophobicContact CE-CH2 3.59Å; M79-W262 HydrophobicContact CE-CZ2 3.83Å; M79-W262 HydrophobicContact SD-CH2 3.58Å; M79-W262 VanDerWaalsContact SD-CH2 3.58Å; M79-W262 HydrophobicContact SD-CZ2 4.38Å; M79-W262 HydrophobicContact SD-CZ3 4.48Å; H83-W262 AromaticContact CE1-CZ3 3.94Å; H83-W262 AromaticContact NE2-CZ3 3.97Å; H181-W262 AromaticContact CD2-CE3 3.92Å; H181-W262 VanDerWaalsContact CE1-CB 3.48Å; H181-W262 WeakPolarHBondContact CE1-CB 3.43Å; H181-W262 WeakPolarHBondContact ND1-CB 3.39Å; H181-W262 PolarHBondContact ND1-O 3.12Å; H181-W262 AromaticContact NE2-CE3 3.8Å; H181-W262 VanDerWaalsContact O-CB 3.26Å; H181-W262 WeakPolarHBondContact O-CB 3.49Å; V182-W262 HydrophobicContact CB-CE3 3.98Å; V182-W262 HydrophobicContact CB-CH2 4.39Å; V182-W262 HydrophobicContact CB-CZ3 3.9Å; V182-W262 HydrophobicContact CG2-CE3 4.13Å; V182-W262 HydrophobicContact CG2-CH2 3.63Å; V182-W262 HydrophobicContact CG2-CZ2 4.24Å; V182-W262 HydrophobicContact CG2-CZ3 3.56Å; L185-W262 HydrophobicContact CD1-CH2 4.34Å; L185-W262 HydrophobicContact CD1-CZ2 3.41Å; L185-W262 VanDerWaalsContact CD1-CZ2 3.41Å; L258-W262 HydrophobicContact CB-CD2 4.27Å; L258-W262 HydrophobicContact CB-CE3 4.43Å; L258-W262 HydrophobicContact CB-CH2 3.84Å; L258-W262 HydrophobicContact CB-CZ2 3.68Å; L258-W262 HydrophobicContact CB-CZ3 4.23Å; L258-W262 HydrophobicContact CD1-CH2 3.81Å; L258-W262 HydrophobicContact CD1-CZ2 3.76Å; L258-W262 HydrophobicContact CD2-CZ2 3.92Å; L258-W262 HydrophobicContact CG-CH2 4.35Å; L258-W262 HydrophobicContact CG-CZ2 4Å; L258-W262 WeakPolarHBondContact O-CB 3.38Å; L258-W262 PolarHBondContact O-N 2.98Å; N259-W262 PolarHBondContact O-N 3.12Å; W262-V264 PolarHBondContact O-N 2.84Å; W262-N265 PolarHBondContact O-N 3.25Å; W262-S266 PolarHBondContact O-N 3.41Å; W262-S266 PolarHBondContact O-OG 3.01Å
263	L	98.7	Very high	98.4	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-25.6	170.6	-79.6	171.7	0	0	0	112.7	F177 N259 T261 A267 A268 V288	F177-L263 HydrophobicContact CZ-CD2 4.4Å; N259-L263 VanDerWaalsContact O-CG 3.28Å; N259-L263 WeakPolarHBondContact O-CG 3.42Å; N259-L263 PolarHBondContact O-N 2.85Å; T261-L263 PolarHBondContact O-N 3.49Å; L263-A267 HydrophobicContact CD2-CB 3.84Å; L263-A267 WeakPolarHBondContact O-CA 3.48Å; L263-A267 WeakPolarHBondContact O-CB 3.25Å; L263-A267 PolarHBondContact O-N 2.98Å; L263-A268 PolarHBondContact O-N 3.37Å; L263-V288 HydrophobicContact CB-CG1 4.4Å; L263-V288 HydrophobicContact CB-CG2 4.22Å
264	V	98.6	Very high	98.4	Very high	13 Å²	13	34.5 Å²	34.5	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-48.1	172.7	-176.4	0	0	0	0	109.5	T261 W262 S266 A268 V288 E295 H298	T261-V264 VanDerWaalsContact O-CB 3.24Å; T261-V264 WeakPolarHBondContact O-CB 3.48Å; T261-V264 WeakPolarHBondContact O-CG2 3.29Å; T261-V264 PolarHBondContact O-N 2.79Å; W262-V264 PolarHBondContact O-N 2.84Å; V264-S266 PolarHBondContact O-N 3.21Å; V264-A268 WeakPolarHBondContact O-CB 3.45Å; V264-A268 PolarHBondContact O-N 3.17Å; V264-V288 HydrophobicContact CB-CG1 4.42Å; V264-V288 HydrophobicContact CG2-CG1 3.71Å; V264-E295 HydrophobicContact CG2-CB 4.06Å; V264-H298 WeakPolarHBondContact CG1-CE1 3.37Å; V264-H298 WeakPolarHBondContact CG1-ND1 2.99Å
265	N	98.4	Very high	98.4	Very high	18 Å²	18	34 Å²	34	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-32.8	-179.5	-59.3	6.9	0	0	0	113.1	H171 S180 W262 H269	H171-N265 HydrophobicContact CB-CB 4.42Å; H171-N265 VanDerWaalsContact CD2-CG 3.48Å; H171-N265 PolarHBondContact CD2-ND2 3.44Å; H171-N265 VanDerWaalsContact CG-ND2 3.34Å; H171-N265 PolarHBondContact ND1-ND2 3.45Å; S180-N265 VanDerWaalsContact O-CB 3.31Å; S180-N265 WeakPolarHBondContact O-CB 3.49Å; W262-N265 PolarHBondContact O-N 3.25Å; N265-H269 PolarHBondContact O-CD2 2.89Å; N265-H269 VanDerWaalsContact O-CD2 3.28Å
266	S	98.4	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-69.3	-177.3	68.4	0	0	0	0	113.1	F177 S180 H181 W262 V264 A268 H269 L270	F177-S266 VanDerWaalsContact CE2-OG 3.28Å; F177-S266 WeakPolarHBondContact CE2-OG 3.26Å; F177-S266 WeakPolarHBondContact CZ-OG 3.48Å; S180-S266 WeakPolarHBondContact OG-CA 3.39Å; S180-S266 WeakPolarHBondContact OG-CB 3.48Å; H181-S266 PolarHBondContact ND1-OG 2.98Å; W262-S266 PolarHBondContact O-N 3.41Å; W262-S266 PolarHBondContact O-OG 3.01Å; V264-S266 PolarHBondContact O-N 3.21Å; S266-A268 PolarHBondContact O-N 3.43Å; S266-H269 PolarHBondContact O-N 2.81Å; S266-L270 WeakPolarHBondContact O-CG 3.43Å; S266-L270 PolarHBondContact O-N 2.78Å
267	A	98.4	Very high	98.4	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-38.3	-174.6	0	0	0	0	0	111.8	F177 L263 H269 L270 Y271 V288	F177-A267 HydrophobicContact CE2-CB 4.33Å; L263-A267 HydrophobicContact CD2-CB 3.84Å; L263-A267 WeakPolarHBondContact O-CA 3.48Å; L263-A267 WeakPolarHBondContact O-CB 3.25Å; L263-A267 PolarHBondContact O-N 2.98Å; A267-H269 PolarHBondContact O-N 2.79Å; A267-L270 PolarHBondContact O-N 2.8Å; A267-Y271 HydrophobicContact CB-CD2 4.15Å; A267-Y271 PolarHBondContact O-N 3.24Å; A267-V288 HydrophobicContact CB-CG2 3.94Å
268	A	98.1	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-78.3	3.8	178.5	0	0	0	0	0	114.4	L263 V264 S266 P282 R283 V288 H298	L263-A268 PolarHBondContact O-N 3.37Å; V264-A268 WeakPolarHBondContact O-CB 3.45Å; V264-A268 PolarHBondContact O-N 3.17Å; S266-A268 PolarHBondContact O-N 3.43Å; A268-P282 CarbonylContact O-C 3.51Å; A268-P282 WeakPolarHBondContact O-CA 3.48Å; A268-R283 PolarHBondContact O-N 3.39Å; A268-V288 HydrophobicContact CB-CG1 4.39Å; A268-H298 HydrophobicContact CB-CB 3.68Å
269	H	98.4	Very high	98.3	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-105.5	-13.3	163.9	-78	-107	0	0	0	113.3	H160 E165 N265 S266 A267 H298	H160-H269 AromaticContact CE1-CE1 3.46Å; H160-H269 PolarHBondContact CE1-CE1 3.34Å; H160-H269 VanDerWaalsContact CE1-CE1 3.46Å; H160-H269 AromaticContact CE1-NE2 3.45Å; H160-H269 PolarHBondContact CE1-NE2 3Å; H160-H269 AromaticContact NE2-CE1 3.9Å; H160-H269 AromaticContact NE2-NE2 3.62Å; E165-H269 IonicContact OE1-CE1 3.12Å; E165-H269 PolarHBondContact OE1-CE1 3.43Å; E165-H269 IonicContact OE1-CG 3.23Å; E165-H269 IonicContact OE1-ND1 3.54Å; E165-H269 PolarHBondContact OE1-ND1 3.2Å; N265-H269 PolarHBondContact O-CD2 2.89Å; N265-H269 VanDerWaalsContact O-CD2 3.28Å; S266-H269 PolarHBondContact O-N 2.81Å; A267-H269 PolarHBondContact O-N 2.79Å; H269-H298 AromaticContact CD2-CD2 3.62Å; H269-H298 AromaticContact CD2-NE2 3.79Å; H269-H298 AromaticContact NE2-CD2 3.34Å; H269-H298 PolarHBondContact NE2-CD2 3.28Å; H269-H298 VanDerWaalsContact NE2-CD2 3.34Å; H269-H298 AromaticContact NE2-NE2 3.18Å; H269-H298 PolarHBondContact NE2-NE2 2.74Å; H269-H298 VanDerWaalsContact NE2-NE2 3.18Å
270	L	97.6	Very high	98.2	Very high	64 Å²	64	40.4 Å²	40.4	34%	0.335	20%	0.197	S	C	.	.	H	α-helix	trans	-116.6	-35.3	-171.2	-66	172.3	0	0	0	113.6	F177 S266 A267	F177-L270 HydrophobicContact CB-CD1 3.83Å; F177-L270 HydrophobicContact CD2-CD1 3.88Å; F177-L270 HydrophobicContact CG-CD1 4.35Å; S266-L270 WeakPolarHBondContact O-CG 3.43Å; S266-L270 PolarHBondContact O-N 2.78Å; A267-L270 PolarHBondContact O-N 2.8Å
271	Y	98.1	Very high	98.2	Very high	135 Å²	135	42.6 Å²	42.6	53%	0.529	21%	0.207	S	C	.	.	S	Bend	trans	-126.7	118.6	-170.1	-48.9	-68.3	0	0	0	111.5	F177 A267 N285	F177-Y271 AromaticContact CD2-CE2 3.95Å; F177-Y271 HydrophobicContact CD2-CE2 3.95Å; F177-Y271 HydrophobicContact CE2-CE2 4.1Å; A267-Y271 HydrophobicContact CB-CD2 4.15Å; A267-Y271 PolarHBondContact O-N 3.24Å; Y271-N285 PolarHBondContact O-ND2 3.42Å
272	G	97.6	Very high	98.2	Very high	33 Å²	33	41.9 Å²	41.9	34%	0.34	20%	0.203	S	C	.	.	S	Bend	trans	138.2	-172.3	176	0	0	0	0	0	113.5	R283 Q284	G272-R283 WeakPolarHBondContact O-CD 3.33Å; G272-R283 PolarHBondContact O-NH1 3.49Å; G272-Q284 VanDerWaalsContact CA-O 3.32Å; G272-Q284 WeakPolarHBondContact CA-O 3.49Å
273	Y	98	Very high	98.2	Very high	159 Å²	159	43.6 Å²	43.6	62%	0.624	21%	0.209	S	C	*	.	B	Isolated β-bridge	trans	-94.9	162.9	-176.2	-62.9	-76.4	0	0	0	113.1	R283 Q284 S355	Y273-R283 CarbonylContact O-C 3.49Å; Y273-R283 WeakPolarHBondContact O-CA 3.49Å; Y273-Q284 PolarHBondContact N-O 2.58Å; Y273-Q284 PolarHBondContact O-N 3.13Å; Y273-S355 WeakPolarHBondContact CB-OG 3.48Å
274	R	98.3	Very high	98.2	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.177	20%	0.2	C	C	.	.			trans	-127.1	63.7	177.2	-66.8	-175.8	-65.5	-165.1	-2.4	112.4	Y276 K278 I280 D281 P282 R283 N299 D353	R274-Y276 PolarHBondContact O-N 2.79Å; R274-K278 HydrophobicContact CB-CB 4.43Å; R274-K278 PolarHBondContact NE-O 3.23Å; R274-K278 PolarHBondContact NH1-O 2.9Å; R274-K278 PolarHBondContact NH2-O 3.27Å; R274-I280 WeakPolarHBondContact CD-O 3.34Å; R274-I280 PolarHBondContact NH1-O 3.4Å; R274-D281 IonicContact NH1-OD1 2.9Å; R274-P282 WeakPolarHBondContact CG-O 3.02Å; R274-R283 VanDerWaalsContact NH1-NH2 3.16Å; R274-R283 VanDerWaalsContact NH2-NH2 3.18Å; R274-N299 VanDerWaalsContact C-OD1 3.31Å; R274-N299 WeakPolarHBondContact CA-OD1 3.42Å; R274-N299 WeakPolarHBondContact CG-ND2 3.47Å; R274-D353 VanDerWaalsContact C-OD1 3.27Å; R274-D353 WeakPolarHBondContact CA-OD2 3.38Å; R274-D353 HydrophobicContact CB-CB 4.38Å; R274-D353 PolarHBondContact N-OD2 2.84Å; R274-D353 WeakPolarHBondContact O-CB 3.49Å; R274-D353 PolarHBondContact O-N 2.82Å; R274-D353 VanDerWaalsContact O-OD1 3.14Å
275	P	98.4	Very high	98.2	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.052	20%	0.202	C	C	.	.	S	Bend	trans	-63.9	-22.2	-176.2	22.2	-30.7	0	0	0	113.9	Q284 G352 D353 H356	P275-Q284 HydrophobicContact CG-CG 3.7Å; P275-G352 WeakPolarHBondContact O-CA 3.49Å; P275-D353 WeakPolarHBondContact CA-OD1 3.41Å; P275-H356 HydrophobicContact CB-CB 3.79Å
276	Y	98.4	Very high	98	Very high	10 Å²	10	44 Å²	44	4%	0.039	22%	0.218	C	C	.	.	S	Bend	trans	-102	-44.5	-175.8	-48.4	-74.8	0	0	0	112.5	R274 Q284 N299 Y300 F304 E312 V344 I348 T351 G352	R274-Y276 PolarHBondContact O-N 2.79Å; Y276-Q284 HydrophobicContact CE2-CG 4.34Å; Y276-N299 WeakPolarHBondContact CB-OD1 3.36Å; Y276-N299 HydrophobicContact CD2-CB 4.38Å; Y276-N299 WeakPolarHBondContact CD2-OD1 3.3Å; Y276-N299 PolarHBondContact N-OD1 3.06Å; Y276-Y300 AromaticContact CD1-CD2 4Å; Y276-Y300 HydrophobicContact CD1-CD2 4Å; Y276-Y300 VanDerWaalsContact CD2-CA 3.47Å; Y276-Y300 HydrophobicContact CD2-CD2 4.05Å; Y276-Y300 HydrophobicContact CD2-CG 4.37Å; Y276-Y300 AromaticContact CE1-CD2 3.7Å; Y276-Y300 HydrophobicContact CE1-CD2 3.7Å; Y276-Y300 HydrophobicContact CE1-CE2 4.31Å; Y276-Y300 VanDerWaalsContact CE2-CB 3.48Å; Y276-Y300 AromaticContact CE2-CD2 3.74Å; Y276-Y300 HydrophobicContact CE2-CD2 3.74Å; Y276-Y300 HydrophobicContact CE2-CG 4.11Å; Y276-Y300 HydrophobicContact CG-CD2 4.18Å; Y276-Y300 AromaticContact CZ-CD2 3.58Å; Y276-F304 HydrophobicContact CD1-CE2 4.36Å; Y276-E312 HydrophobicContact CE1-CB 4.36Å; Y276-E312 VanDerWaalsContact CE1-OE2 3.26Å; Y276-E312 WeakPolarHBondContact CE1-OE2 3.3Å; Y276-E312 WeakPolarHBondContact OH-CB 3.43Å; Y276-E312 PolarHBondContact OH-OE2 3.12Å; Y276-V344 HydrophobicContact CD1-CG1 4.09Å; Y276-V344 HydrophobicContact CE1-CG1 3.84Å; Y276-I348 HydrophobicContact CD1-CD1 4.02Å; Y276-I348 HydrophobicContact CD1-CG1 3.61Å; Y276-I348 HydrophobicContact CE1-CD1 3.91Å; Y276-I348 HydrophobicContact CE1-CG1 4.03Å; Y276-T351 CarbonylContact O-C 3.45Å; Y276-T351 PolarHBondContact O-OG1 2.92Å; Y276-G352 PolarHBondContact O-N 2.88Å
277	D	98.3	Very high	98	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.064	25%	0.251	C	S	.	.			trans	-147.5	109	178	-159.4	-27.6	0	0	0	112.2	N279 I280 N299 R347 T351	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 2.88Å; D277-N279 VanDerWaalsContact OD1-CB 3.3Å; D277-N279 WeakPolarHBondContact OD1-CB 3.16Å; D277-N279 PolarHBondContact OD1-N 2.86Å; D277-N279 PolarHBondContact OD1-ND2 3.21Å; D277-I280 HydrophobicContact CB-CD1 4.15Å; D277-I280 HydrophobicContact CB-CG1 4.06Å; D277-I280 WeakPolarHBondContact O-CG1 3.39Å; D277-N299 PolarHBondContact N-OD1 2.92Å; D277-N299 VanDerWaalsContact N-OD1 3.13Å; D277-N299 PolarHBondContact O-ND2 2.92Å; D277-R347 IonicContact OD2-CZ 2.63Å; D277-R347 IonicContact OD2-NE 2.71Å; D277-R347 PolarHBondContact OD2-NE 3Å; D277-R347 IonicContact OD2-NH2 3.78Å; D277-R347 PolarHBondContact OD2-NH2 3.43Å; D277-T351 CarbonylContact C-O 3.54Å; D277-T351 WeakPolarHBondContact CA-O 3.28Å
278	K	98.2	Very high	98	Very high	105 Å²	105	50.3 Å²	50.3	46%	0.457	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.5	178.5	76.5	-170.9	176	-177.2	0	113.9	R274 T351 D353	R274-K278 HydrophobicContact CB-CB 4.43Å; R274-K278 PolarHBondContact NE-O 3.23Å; R274-K278 PolarHBondContact NH1-O 2.9Å; R274-K278 PolarHBondContact NH2-O 3.27Å; K278-T351 WeakPolarHBondContact CG-O 3.45Å; K278-T351 PolarHBondContact N-O 3.46Å; K278-D353 HydrophobicContact CB-CB 3.93Å
279	N	97.9	Very high	97.9	Very high	113 Å²	113	50.3 Å²	50.3	60%	0.604	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.7	-176.5	-49.9	-56.4	0	0	0	112.8	D277	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 2.88Å; D277-N279 VanDerWaalsContact OD1-CB 3.3Å; D277-N279 WeakPolarHBondContact OD1-CB 3.16Å; D277-N279 PolarHBondContact OD1-N 2.86Å; D277-N279 PolarHBondContact OD1-ND2 3.21Å
280	I	97.9	Very high	97.8	Very high	20 Å²	20	55.2 Å²	55.2	10%	0.103	28%	0.276	C	S	.	.	S	Bend	trans	-111.8	159.3	172.5	65.3	175.1	0	0	0	109.6	R274 D277 P282 H302	R274-I280 WeakPolarHBondContact CD-O 3.34Å; R274-I280 PolarHBondContact NH1-O 3.4Å; D277-I280 HydrophobicContact CB-CD1 4.15Å; D277-I280 HydrophobicContact CB-CG1 4.06Å; D277-I280 WeakPolarHBondContact O-CG1 3.39Å; I280-P282 HydrophobicContact CD1-CB 4.36Å; I280-P282 HydrophobicContact CD1-CG 4.27Å; I280-H302 HydrophobicContact CD1-CB 3.66Å
281	D	97.7	Very high	97.7	Very high	56 Å²	56	53.3 Å²	53.3	30%	0.299	27%	0.271	S	S	.	.	S	Bend	trans	-79.9	-32.5	-179.9	-78.1	-12.5	0	0	0	116	E165 R274 R283	E165-D281 HydrophobicContact CG-CB 3.92Å; E165-D281 WeakPolarHBondContact CG-OD2 3.36Å; R274-D281 IonicContact NH1-OD1 2.9Å; D281-R283 VanDerWaalsContact O-CD 3.26Å; D281-R283 WeakPolarHBondContact O-CD 3.5Å; D281-R283 VanDerWaalsContact O-CG 3.3Å; D281-R283 WeakPolarHBondContact O-CG 3.05Å; D281-R283 PolarHBondContact O-N 3.04Å; D281-R283 PolarHBondContact O-NE 3.25Å; D281-R283 VanDerWaalsContact O-NE 3.09Å
282	P	98.5	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.			trans	-46.7	137.2	175.4	-31.5	34.4	0	0	0	114.3	A268 R274 I280 H298 N299 H302	A268-P282 CarbonylContact O-C 3.51Å; A268-P282 WeakPolarHBondContact O-CA 3.48Å; R274-P282 WeakPolarHBondContact CG-O 3.02Å; I280-P282 HydrophobicContact CD1-CB 4.36Å; I280-P282 HydrophobicContact CD1-CG 4.27Å; P282-H298 HydrophobicContact CB-CB 4.3Å; P282-H298 WeakPolarHBondContact CB-O 3.37Å; P282-N299 VanDerWaalsContact O-CB 3.26Å; P282-N299 WeakPolarHBondContact O-CB 3.42Å; P282-N299 PolarHBondContact O-ND2 3.19Å; P282-H302 HydrophobicContact CB-CB 4.02Å; P282-H302 HydrophobicContact CG-CB 3.79Å
283	R	98.5	Very high	97.6	Very high	46 Å²	46	46.8 Å²	46.8	17%	0.174	24%	0.237	C	C	.	.			trans	-126.8	151.7	-170.4	-59	-53	179.7	139.6	-5	112.3	A268 G272 Y273 R274 D281 H298 N299	A268-R283 PolarHBondContact O-N 3.39Å; G272-R283 WeakPolarHBondContact O-CD 3.33Å; G272-R283 PolarHBondContact O-NH1 3.49Å; Y273-R283 CarbonylContact O-C 3.49Å; Y273-R283 WeakPolarHBondContact O-CA 3.49Å; R274-R283 VanDerWaalsContact NH1-NH2 3.16Å; R274-R283 VanDerWaalsContact NH2-NH2 3.18Å; D281-R283 VanDerWaalsContact O-CD 3.26Å; D281-R283 WeakPolarHBondContact O-CD 3.5Å; D281-R283 VanDerWaalsContact O-CG 3.3Å; D281-R283 WeakPolarHBondContact O-CG 3.05Å; D281-R283 PolarHBondContact O-N 3.04Å; D281-R283 PolarHBondContact O-NE 3.25Å; D281-R283 VanDerWaalsContact O-NE 3.09Å; R283-H298 VanDerWaalsContact O-CB 3.25Å; R283-H298 WeakPolarHBondContact O-CB 3.3Å; R283-H298 PolarHBondContact O-N 3.41Å; R283-N299 PolarHBondContact O-N 3.21Å
284	Q	98.3	Very high	97.6	Very high	26 Å²	26	39.2 Å²	39.2	12%	0.121	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-78.7	120.5	165.6	-57.2	-62.5	85	0	0	109.8	G272 Y273 P275 Y276 F297 N299 Y300	G272-Q284 VanDerWaalsContact CA-O 3.32Å; G272-Q284 WeakPolarHBondContact CA-O 3.49Å; Y273-Q284 PolarHBondContact N-O 2.58Å; Y273-Q284 PolarHBondContact O-N 3.13Å; P275-Q284 HydrophobicContact CG-CG 3.7Å; Y276-Q284 HydrophobicContact CE2-CG 4.34Å; Q284-F297 PolarHBondContact OE1-O 3.36Å; Q284-F297 VanDerWaalsContact OE1-O 3.12Å; Q284-N299 HydrophobicContact CG-CB 4.04Å; Q284-Y300 VanDerWaalsContact OE1-N 3.14Å
285	N	97.9	Very high	97.6	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	20%	0.202	C	C	.	.			trans	-137.6	105.3	178.8	-167	-44.9	0	0	0	111.6	Y271 L287 V288 S289 G296	Y271-N285 PolarHBondContact O-ND2 3.42Å; N285-L287 VanDerWaalsContact C-N 3.33Å; N285-L287 PolarHBondContact O-N 3.18Å; N285-L287 PolarHBondContact OD1-N 2.62Å; N285-V288 HydrophobicContact CB-CB 4.04Å; N285-V288 HydrophobicContact CB-CG2 3.83Å; N285-V288 PolarHBondContact O-N 3.24Å; N285-V288 PolarHBondContact OD1-N 3.13Å; N285-S289 PolarHBondContact O-N 3.18Å; N285-S289 PolarHBondContact O-OG 3.01Å; N285-G296 PolarHBondContact N-O 3.37Å
286	A	96	Very high	97.6	Very high	50 Å²	50	37.3 Å²	37.3	41%	0.413	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-33.4	-176.3	0	0	0	0	0	113.6	V288 S289 L290 I317	A286-V288 VanDerWaalsContact C-N 3.35Å; A286-S289 WeakPolarHBondContact O-CB 3.1Å; A286-S289 PolarHBondContact O-N 3.14Å; A286-L290 WeakPolarHBondContact O-CG 3.5Å; A286-L290 PolarHBondContact O-N 3.21Å; A286-I317 HydrophobicContact CB-CD1 4.14Å
287	L	97	Very high	97.6	Very high	136 Å²	136	37.8 Å²	37.8	71%	0.712	20%	0.202	S	C	*	.	H	α-helix	trans	-67.8	-38.6	176.8	-64.5	179.2	0	0	0	111.2	N285 S289 L290 G291	N285-L287 VanDerWaalsContact C-N 3.33Å; N285-L287 PolarHBondContact O-N 3.18Å; N285-L287 PolarHBondContact OD1-N 2.62Å; L287-S289 VanDerWaalsContact C-N 3.34Å; L287-L290 HydrophobicContact CD2-CD1 4.28Å; L287-L290 PolarHBondContact O-N 3.36Å; L287-G291 PolarHBondContact O-N 3.49Å
288	V	98	Very high	97.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-42.2	172.3	179.1	0	0	0	0	110.2	L263 V264 A267 A268 N285 A286 L290 G291 S292	L263-V288 HydrophobicContact CB-CG1 4.4Å; L263-V288 HydrophobicContact CB-CG2 4.22Å; V264-V288 HydrophobicContact CB-CG1 4.42Å; V264-V288 HydrophobicContact CG2-CG1 3.71Å; A267-V288 HydrophobicContact CB-CG2 3.94Å; A268-V288 HydrophobicContact CB-CG1 4.39Å; N285-V288 HydrophobicContact CB-CB 4.04Å; N285-V288 HydrophobicContact CB-CG2 3.83Å; N285-V288 PolarHBondContact O-N 3.24Å; N285-V288 PolarHBondContact OD1-N 3.13Å; A286-V288 VanDerWaalsContact C-N 3.35Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.48Å; V288-G291 PolarHBondContact O-N 2.7Å; V288-S292 WeakPolarHBondContact O-CB 3.45Å; V288-S292 PolarHBondContact O-N 2.69Å; V288-S292 PolarHBondContact O-OG 3.19Å
289	S	97.4	Very high	97.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-37.3	176.3	-64.4	0	0	0	0	112.9	N285 A286 L287 M293 G294 G296 F297	N285-S289 PolarHBondContact O-N 3.18Å; N285-S289 PolarHBondContact O-OG 3.01Å; A286-S289 WeakPolarHBondContact O-CB 3.1Å; A286-S289 PolarHBondContact O-N 3.14Å; L287-S289 VanDerWaalsContact C-N 3.34Å; S289-M293 CarbonylContact O-C 3.49Å; S289-M293 WeakPolarHBondContact O-CA 3.37Å; S289-M293 PolarHBondContact O-N 3.47Å; S289-G294 PolarHBondContact O-N 3.42Å; S289-G296 WeakPolarHBondContact OG-CA 3.49Å; S289-G296 PolarHBondContact OG-N 2.86Å; S289-F297 WeakPolarHBondContact OG-CE2 3.5Å; S289-F297 PolarHBondContact OG-N 2.97Å
290	L	96.4	Very high	97.7	Very high	108 Å²	108	27 Å²	27	57%	0.565	15%	0.149	S	C	*	.	H	α-helix	trans	-63.4	-44.5	176	-73.1	170.2	0	0	0	112.4	A286 L287 V288 I317	A286-L290 WeakPolarHBondContact O-CG 3.5Å; A286-L290 PolarHBondContact O-N 3.21Å; L287-L290 HydrophobicContact CD2-CD1 4.28Å; L287-L290 PolarHBondContact O-N 3.36Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.48Å; L290-I317 HydrophobicContact CD2-CG2 3.67Å; L290-I317 HydrophobicContact CG-CG2 3.87Å
291	G	95.2	Very high	97.7	Very high	23 Å²	23	26.2 Å²	26.2	24%	0.237	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-49.7	177.3	0	0	0	0	0	112.1	Y108 L287 V288 M293	Y108-G291 PolarHBondContact OH-O 2.67Å; L287-G291 PolarHBondContact O-N 3.49Å; V288-G291 PolarHBondContact O-N 2.7Å; G291-M293 VanDerWaalsContact C-N 3.27Å; G291-M293 PolarHBondContact O-N 2.89Å
292	S	96.8	Very high	97.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-83.2	7.3	-175	63.3	0	0	0	0	114.7	I112 V288 G294 E295 G296	I112-S292 WeakPolarHBondContact CG2-O 3.35Å; V288-S292 WeakPolarHBondContact O-CB 3.45Å; V288-S292 PolarHBondContact O-N 2.69Å; V288-S292 PolarHBondContact O-OG 3.19Å; S292-G294 PolarHBondContact O-N 3.13Å; S292-E295 WeakPolarHBondContact O-CG 3.31Å; S292-E295 PolarHBondContact OG-N 3.17Å; S292-E295 VanDerWaalsContact OG-N 3.15Å; S292-G296 PolarHBondContact OG-N 2.8Å
293	M	97.4	Very high	97.7	Very high	29 Å²	29	24.6 Å²	24.6	14%	0.143	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	18.6	179.8	-60.9	-68.4	168.2	0	0	115.7	Y108 V109 I112 S289 G291 N318 F319 T320	Y108-M293 HydrophobicContact CD1-CE 4.22Å; Y108-M293 HydrophobicContact CE1-CE 3.7Å; V109-M293 HydrophobicContact CG2-CE 3.93Å; I112-M293 HydrophobicContact CB-CG 4.26Å; I112-M293 HydrophobicContact CG2-CB 3.68Å; I112-M293 HydrophobicContact CG2-CG 3.56Å; S289-M293 CarbonylContact O-C 3.49Å; S289-M293 WeakPolarHBondContact O-CA 3.37Å; S289-M293 PolarHBondContact O-N 3.47Å; G291-M293 VanDerWaalsContact C-N 3.27Å; G291-M293 PolarHBondContact O-N 2.89Å; M293-N318 CarbonylContact O-C 3.54Å; M293-F319 HydrophobicContact CB-CB 4.22Å; M293-F319 PolarHBondContact O-N 3.24Å; M293-F319 HydrophobicContact SD-CB 4.07Å; M293-F319 HydrophobicContact SD-CD1 4.27Å; M293-F319 HydrophobicContact SD-CG 4.36Å; M293-T320 PolarHBondContact O-N 2.91Å; M293-T320 PolarHBondContact O-OG1 2.88Å
294	G	97.5	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	141.1	-7.2	175.1	0	0	0	0	0	116.1	S289 S292 G296 F297 I317	S289-G294 PolarHBondContact O-N 3.42Å; S292-G294 PolarHBondContact O-N 3.13Å; G294-G296 VanDerWaalsContact C-N 3.34Å; G294-G296 PolarHBondContact O-N 3.25Å; G294-F297 WeakPolarHBondContact O-CD2 3.28Å; G294-I317 WeakPolarHBondContact CA-O 3.29Å
295	E	98.4	Very high	97.7	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.07	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.5	-167.9	-44.8	-54.9	75.4	0	0	113.8	G116 H120 R121 V264 S292 F297	G116-E295 WeakPolarHBondContact CA-OE2 3.41Å; H120-E295 IonicContact CE1-OE2 3.16Å; H120-E295 PolarHBondContact CE1-OE2 3.17Å; H120-E295 IonicContact CG-OE2 3.83Å; H120-E295 IonicContact ND1-OE2 2.66Å; H120-E295 PolarHBondContact ND1-OE2 3.03Å; R121-E295 IonicContact CZ-OE1 2.62Å; R121-E295 IonicContact NE-OE1 3.61Å; R121-E295 PolarHBondContact NE-OE1 3.48Å; R121-E295 IonicContact NE-OE2 2.86Å; R121-E295 PolarHBondContact NE-OE2 3.2Å; R121-E295 IonicContact NH2-OE1 3.43Å; R121-E295 PolarHBondContact NH2-OE1 2.95Å; V264-E295 HydrophobicContact CG2-CB 4.06Å; S292-E295 WeakPolarHBondContact O-CG 3.31Å; S292-E295 PolarHBondContact OG-N 3.17Å; S292-E295 VanDerWaalsContact OG-N 3.15Å; E295-F297 VanDerWaalsContact C-N 3.3Å; E295-F297 PolarHBondContact O-N 3.49Å
296	G	97.9	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5	-179.8	0	0	0	0	0	115	N285 S289 S292 G294 H298	N285-G296 PolarHBondContact N-O 3.37Å; S289-G296 WeakPolarHBondContact OG-CA 3.49Å; S289-G296 PolarHBondContact OG-N 2.86Å; S292-G296 PolarHBondContact OG-N 2.8Å; G294-G296 VanDerWaalsContact C-N 3.34Å; G294-G296 PolarHBondContact O-N 3.25Å; G296-H298 PolarHBondContact O-N 2.98Å
297	F	98.3	Very high	97.9	Very high	20 Å²	20	19.2 Å²	19.2	9%	0.088	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-81.6	53.3	172.6	-58.6	-66.4	0	0	0	111.4	Q284 S289 G294 E295 N299 Y300 H301 A310 S311 H316 I317 N318	Q284-F297 PolarHBondContact OE1-O 3.36Å; Q284-F297 VanDerWaalsContact OE1-O 3.12Å; S289-F297 WeakPolarHBondContact OG-CE2 3.5Å; S289-F297 PolarHBondContact OG-N 2.97Å; G294-F297 WeakPolarHBondContact O-CD2 3.28Å; E295-F297 VanDerWaalsContact C-N 3.3Å; E295-F297 PolarHBondContact O-N 3.49Å; F297-N299 PolarHBondContact O-N 3.32Å; F297-Y300 WeakPolarHBondContact O-CB 3.2Å; F297-Y300 PolarHBondContact O-N 2.82Å; F297-H301 PolarHBondContact O-N 2.94Å; F297-A310 WeakPolarHBondContact CB-O 3.45Å; F297-S311 VanDerWaalsContact CD2-CB 3.46Å; F297-H316 WeakPolarHBondContact CE2-O 3.31Å; F297-H316 AromaticContact CZ-CD2 3.68Å; F297-H316 VanDerWaalsContact CZ-O 3.28Å; F297-H316 WeakPolarHBondContact CZ-O 3.35Å; F297-I317 HydrophobicContact CE2-CB 4.33Å; F297-I317 HydrophobicContact CZ-CB 4.02Å; F297-N318 HydrophobicContact CE2-CB 4.43Å
298	H	98.4	Very high	97.9	Very high	3 Å²	3	13 Å²	13	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-74.1	-30	-163	-142.6	53.1	0	0	0	113.9	V264 A268 H269 P282 R283 G296 H301 H302	V264-H298 WeakPolarHBondContact CG1-CE1 3.37Å; V264-H298 WeakPolarHBondContact CG1-ND1 2.99Å; A268-H298 HydrophobicContact CB-CB 3.68Å; H269-H298 AromaticContact CD2-CD2 3.62Å; H269-H298 AromaticContact CD2-NE2 3.79Å; H269-H298 AromaticContact NE2-CD2 3.34Å; H269-H298 PolarHBondContact NE2-CD2 3.28Å; H269-H298 VanDerWaalsContact NE2-CD2 3.34Å; H269-H298 AromaticContact NE2-NE2 3.18Å; H269-H298 PolarHBondContact NE2-NE2 2.74Å; H269-H298 VanDerWaalsContact NE2-NE2 3.18Å; P282-H298 HydrophobicContact CB-CB 4.3Å; P282-H298 WeakPolarHBondContact CB-O 3.37Å; R283-H298 VanDerWaalsContact O-CB 3.25Å; R283-H298 WeakPolarHBondContact O-CB 3.3Å; R283-H298 PolarHBondContact O-N 3.41Å; G296-H298 PolarHBondContact O-N 2.98Å; H298-H301 AromaticContact ND1-CD2 3.98Å; H298-H301 PolarHBondContact O-N 3.44Å; H298-H302 AromaticContact CD2-CD2 3.71Å; H298-H302 AromaticContact CD2-NE2 3.62Å; H298-H302 AromaticContact CE1-CD2 3.84Å; H298-H302 AromaticContact CE1-NE2 3.55Å; H298-H302 AromaticContact NE2-CD2 3.62Å; H298-H302 AromaticContact NE2-NE2 3.12Å; H298-H302 PolarHBondContact NE2-NE2 2.94Å; H298-H302 VanDerWaalsContact NE2-NE2 3.12Å; H298-H302 PolarHBondContact O-CD2 2.71Å; H298-H302 PolarHBondContact O-N 3.36Å
299	N	98.7	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-41.5	173.3	-171.2	-114.8	0	0	0	111.6	R274 Y276 D277 P282 R283 Q284 F297 A303	R274-N299 VanDerWaalsContact C-OD1 3.31Å; R274-N299 WeakPolarHBondContact CA-OD1 3.42Å; R274-N299 WeakPolarHBondContact CG-ND2 3.47Å; Y276-N299 WeakPolarHBondContact CB-OD1 3.36Å; Y276-N299 HydrophobicContact CD2-CB 4.38Å; Y276-N299 WeakPolarHBondContact CD2-OD1 3.3Å; Y276-N299 PolarHBondContact N-OD1 3.06Å; D277-N299 PolarHBondContact N-OD1 2.92Å; D277-N299 VanDerWaalsContact N-OD1 3.13Å; D277-N299 PolarHBondContact O-ND2 2.92Å; P282-N299 VanDerWaalsContact O-CB 3.26Å; P282-N299 WeakPolarHBondContact O-CB 3.42Å; P282-N299 PolarHBondContact O-ND2 3.19Å; R283-N299 PolarHBondContact O-N 3.21Å; Q284-N299 HydrophobicContact CG-CB 4.04Å; F297-N299 PolarHBondContact O-N 3.32Å; N299-A303 VanDerWaalsContact O-CB 3.31Å; N299-A303 WeakPolarHBondContact O-CB 3.31Å; N299-A303 PolarHBondContact O-N 2.95Å
300	Y	98.7	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-47.9	173.7	-176.2	-88.5	0	0	0	110.4	Y276 Q284 F297 H302 A303 F304 D307 S311 E312 R338 V344	Y276-Y300 AromaticContact CD1-CD2 4Å; Y276-Y300 HydrophobicContact CD1-CD2 4Å; Y276-Y300 VanDerWaalsContact CD2-CA 3.47Å; Y276-Y300 HydrophobicContact CD2-CD2 4.05Å; Y276-Y300 HydrophobicContact CD2-CG 4.37Å; Y276-Y300 AromaticContact CE1-CD2 3.7Å; Y276-Y300 HydrophobicContact CE1-CD2 3.7Å; Y276-Y300 HydrophobicContact CE1-CE2 4.31Å; Y276-Y300 VanDerWaalsContact CE2-CB 3.48Å; Y276-Y300 AromaticContact CE2-CD2 3.74Å; Y276-Y300 HydrophobicContact CE2-CD2 3.74Å; Y276-Y300 HydrophobicContact CE2-CG 4.11Å; Y276-Y300 HydrophobicContact CG-CD2 4.18Å; Y276-Y300 AromaticContact CZ-CD2 3.58Å; Q284-Y300 VanDerWaalsContact OE1-N 3.14Å; F297-Y300 WeakPolarHBondContact O-CB 3.2Å; F297-Y300 PolarHBondContact O-N 2.82Å; Y300-H302 PolarHBondContact O-N 3.27Å; Y300-A303 PolarHBondContact O-N 2.86Å; Y300-A303 VanDerWaalsContact O-N 3.17Å; Y300-F304 HydrophobicContact CD1-CD2 4.25Å; Y300-F304 AromaticContact CD2-CD2 3.72Å; Y300-F304 HydrophobicContact CD2-CD2 3.72Å; Y300-F304 HydrophobicContact CD2-CE2 4.02Å; Y300-F304 HydrophobicContact CE1-CB 4.15Å; Y300-F304 HydrophobicContact CE1-CD2 4.05Å; Y300-F304 AromaticContact CE2-CD2 3.49Å; Y300-F304 HydrophobicContact CE2-CD2 3.49Å; Y300-F304 VanDerWaalsContact CE2-CD2 3.49Å; Y300-F304 AromaticContact CE2-CE2 3.78Å; Y300-F304 HydrophobicContact CE2-CE2 3.78Å; Y300-F304 HydrophobicContact CG-CD2 4.11Å; Y300-F304 AromaticContact CZ-CD2 3.67Å; Y300-F304 PolarHBondContact O-N 3.3Å; Y300-D307 HydrophobicContact CE1-CB 3.93Å; Y300-D307 PolarHBondContact OH-OD2 3.18Å; Y300-S311 VanDerWaalsContact CD1-CA 3.45Å; Y300-S311 VanDerWaalsContact CD1-N 3.28Å; Y300-S311 VanDerWaalsContact CE1-C 3.48Å; Y300-S311 WeakPolarHBondContact CE1-O 3.41Å; Y300-E312 HydrophobicContact CD2-CB 4.04Å; Y300-E312 HydrophobicContact CE2-CB 3.95Å; Y300-R338 PolarHBondContact OH-NH1 3.32Å; Y300-R338 VanDerWaalsContact OH-NH1 3.11Å; Y300-R338 PolarHBondContact OH-NH2 3.2Å; Y300-V344 HydrophobicContact CE2-CG1 4.26Å; Y300-V344 HydrophobicContact CE2-CG2 3.96Å
301	H	98.7	Very high	98.1	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-60.7	-46.4	-175.2	177.4	53.3	0	0	0	112.8	H120 H125 H157 H161 F297 H298 A303 F304 P305 A310	H120-H301 AromaticContact CE1-CD2 3.99Å; H120-H301 AromaticContact CE1-CE1 3.58Å; H120-H301 AromaticContact CE1-NE2 3.47Å; H120-H301 PolarHBondContact CE1-NE2 3.48Å; H120-H301 AromaticContact NE2-CD2 3.78Å; H120-H301 AromaticContact NE2-CE1 3.2Å; H120-H301 PolarHBondContact NE2-CE1 3.18Å; H120-H301 AromaticContact NE2-NE2 2.9Å; H120-H301 PolarHBondContact NE2-NE2 2.96Å; H125-H301 AromaticContact CD2-CE1 3.69Å; H125-H301 AromaticContact CE1-CE1 3.77Å; H125-H301 AromaticContact CE1-NE2 3.89Å; H125-H301 AromaticContact NE2-CE1 3.28Å; H125-H301 PolarHBondContact NE2-CE1 2.93Å; H125-H301 VanDerWaalsContact NE2-CE1 3.28Å; H125-H301 AromaticContact NE2-NE2 3.35Å; H125-H301 PolarHBondContact NE2-NE2 3.36Å; H157-H301 AromaticContact NE2-NE2 3.96Å; H161-H301 AromaticContact CE1-CD2 3.53Å; H161-H301 AromaticContact CE1-CE1 3.8Å; H161-H301 AromaticContact CE1-NE2 3.07Å; H161-H301 PolarHBondContact CE1-NE2 3.43Å; H161-H301 AromaticContact NE2-CD2 3.72Å; H161-H301 AromaticContact NE2-CE1 3.96Å; H161-H301 AromaticContact NE2-NE2 3.02Å; H161-H301 PolarHBondContact NE2-NE2 3.44Å; F297-H301 PolarHBondContact O-N 2.94Å; H298-H301 AromaticContact ND1-CD2 3.98Å; H298-H301 PolarHBondContact O-N 3.44Å; H301-A303 VanDerWaalsContact C-N 3.33Å; H301-A303 PolarHBondContact O-N 3.01Å; H301-F304 CarbonylContact O-C 3.57Å; H301-F304 PolarHBondContact O-N 2.74Å; H301-P305 WeakPolarHBondContact O-CA 3.26Å; H301-A310 HydrophobicContact CB-CB 4.26Å
302	H	98.6	Very high	98.3	Very high	17 Å²	17	8.4 Å²	8.4	8%	0.079	4%	0.04	C	C	.	.	H	α-helix	trans	-69.4	-29.4	175.2	-83	-110.5	0	0	0	113.4	H160 H161 I280 P282 H298 Y300 F304	H160-H302 AromaticContact CD2-CE1 3.85Å; H160-H302 AromaticContact CE1-CE1 3.92Å; H160-H302 AromaticContact NE2-CE1 3.26Å; H160-H302 PolarHBondContact NE2-CE1 3.17Å; H160-H302 VanDerWaalsContact NE2-CE1 3.26Å; H160-H302 AromaticContact NE2-NE2 3.34Å; H160-H302 PolarHBondContact NE2-NE2 3.29Å; H161-H302 AromaticContact CE1-CD2 3.9Å; H161-H302 AromaticContact CE1-CE1 3.96Å; H161-H302 AromaticContact CE1-NE2 3.85Å; H161-H302 AromaticContact ND1-ND1 3.98Å; I280-H302 HydrophobicContact CD1-CB 3.66Å; P282-H302 HydrophobicContact CB-CB 4.02Å; P282-H302 HydrophobicContact CG-CB 3.79Å; H298-H302 AromaticContact CD2-CD2 3.71Å; H298-H302 AromaticContact CD2-NE2 3.62Å; H298-H302 AromaticContact CE1-CD2 3.84Å; H298-H302 AromaticContact CE1-NE2 3.55Å; H298-H302 AromaticContact NE2-CD2 3.62Å; H298-H302 AromaticContact NE2-NE2 3.12Å; H298-H302 PolarHBondContact NE2-NE2 2.94Å; H298-H302 VanDerWaalsContact NE2-NE2 3.12Å; H298-H302 PolarHBondContact O-CD2 2.71Å; H298-H302 PolarHBondContact O-N 3.36Å; Y300-H302 PolarHBondContact O-N 3.27Å; H302-F304 VanDerWaalsContact C-N 3.31Å
303	A	97.9	Very high	98.3	Very high	5 Å²	5	13.5 Å²	13.5	4%	0.041	6%	0.059	C	C	.	.	H	α-helix	trans	-70.2	-29.8	173.7	0	0	0	0	0	112.5	N299 Y300 H301 R347	N299-A303 VanDerWaalsContact O-CB 3.31Å; N299-A303 WeakPolarHBondContact O-CB 3.31Å; N299-A303 PolarHBondContact O-N 2.95Å; Y300-A303 PolarHBondContact O-N 2.86Å; Y300-A303 VanDerWaalsContact O-N 3.17Å; H301-A303 VanDerWaalsContact C-N 3.33Å; H301-A303 PolarHBondContact O-N 3.01Å; A303-R347 PolarHBondContact O-NH1 3.03Å
304	F	98.3	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	7%	0.072	C	C	.	.			trans	-140.6	66.3	-174.2	-53.9	-65.2	0	0	0	112.1	Y276 Y300 H301 H302 Y306 D307 V339 T343 V344 R347	Y276-F304 HydrophobicContact CD1-CE2 4.36Å; Y300-F304 HydrophobicContact CD1-CD2 4.25Å; Y300-F304 AromaticContact CD2-CD2 3.72Å; Y300-F304 HydrophobicContact CD2-CD2 3.72Å; Y300-F304 HydrophobicContact CD2-CE2 4.02Å; Y300-F304 HydrophobicContact CE1-CB 4.15Å; Y300-F304 HydrophobicContact CE1-CD2 4.05Å; Y300-F304 AromaticContact CE2-CD2 3.49Å; Y300-F304 HydrophobicContact CE2-CD2 3.49Å; Y300-F304 VanDerWaalsContact CE2-CD2 3.49Å; Y300-F304 AromaticContact CE2-CE2 3.78Å; Y300-F304 HydrophobicContact CE2-CE2 3.78Å; Y300-F304 HydrophobicContact CG-CD2 4.11Å; Y300-F304 AromaticContact CZ-CD2 3.67Å; Y300-F304 PolarHBondContact O-N 3.3Å; H301-F304 CarbonylContact O-C 3.57Å; H301-F304 PolarHBondContact O-N 2.74Å; H302-F304 VanDerWaalsContact C-N 3.31Å; F304-Y306 HydrophobicContact CD1-CE2 4.37Å; F304-Y306 PolarHBondContact O-N 3.43Å; F304-D307 HydrophobicContact CB-CB 4.38Å; F304-D307 WeakPolarHBondContact O-CB 3.46Å; F304-D307 PolarHBondContact O-N 3.04Å; F304-D307 VanDerWaalsContact O-N 3.09Å; F304-V339 HydrophobicContact CB-CG2 3.86Å; F304-V339 HydrophobicContact CD1-CG1 4.03Å; F304-V339 HydrophobicContact CD1-CG2 3.96Å; F304-V339 HydrophobicContact CE1-CG1 4.04Å; F304-V339 HydrophobicContact CG-CG2 3.98Å; F304-V339 HydrophobicContact CZ-CG1 4.5Å; F304-T343 HydrophobicContact CE1-CG2 4.17Å; F304-V344 HydrophobicContact CE2-CG2 4.23Å; F304-V344 HydrophobicContact CZ-CG2 4.34Å; F304-R347 HydrophobicContact CE1-CB 4.32Å; F304-R347 HydrophobicContact CE1-CG 4.35Å; F304-R347 HydrophobicContact CE2-CG 4.43Å; F304-R347 HydrophobicContact CZ-CB 3.62Å; F304-R347 HydrophobicContact CZ-CG 3.72Å
305	P	98.4	Very high	98.3	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.032	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	-172.9	28.7	-37.2	0	0	0	113.2	R47 I54 H125 T127 H301 D307	R47-P305 PolarHBondContact NH1-O 3.45Å; I54-P305 HydrophobicContact CD1-CG 4.03Å; H125-P305 WeakPolarHBondContact CB-O 3.08Å; H125-P305 PolarHBondContact ND1-O 3.04Å; T127-P305 WeakPolarHBondContact CG2-O 3.41Å; H301-P305 WeakPolarHBondContact O-CA 3.26Å; P305-D307 VanDerWaalsContact C-N 3.32Å
306	Y	98.3	Very high	98.2	Very high	30 Å²	30	27.7 Å²	27.7	12%	0.118	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.4	177	41.3	-91.8	0	0	0	114.8	I46 R47 I54 T127 F304 K337 V339	I46-Y306 HydrophobicContact CD1-CD2 3.86Å; I46-Y306 HydrophobicContact CD1-CE2 4.32Å; I46-Y306 HydrophobicContact CG1-CD2 3.73Å; I46-Y306 HydrophobicContact CG1-CE2 4.23Å; R47-Y306 VanDerWaalsContact NH1-CA 3.32Å; I54-Y306 HydrophobicContact CD1-CD1 3.93Å; I54-Y306 HydrophobicContact CD1-CE1 4.15Å; T127-Y306 VanDerWaalsContact CG2-C 3.5Å; T127-Y306 WeakPolarHBondContact CG2-O 3.07Å; F304-Y306 HydrophobicContact CD1-CE2 4.37Å; F304-Y306 PolarHBondContact O-N 3.43Å; Y306-K337 WeakPolarHBondContact O-CB 3.48Å; Y306-V339 HydrophobicContact CD2-CG2 3.95Å; Y306-V339 HydrophobicContact CE2-CG2 3.59Å
307	D	98.6	Very high	98.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	13%	0.128	C	C	.	.			trans	-89.8	125.5	178.3	-162.5	-67.2	0	0	0	113.3	Y300 F304 P305 S309 A310 R338 V339	Y300-D307 HydrophobicContact CE1-CB 3.93Å; Y300-D307 PolarHBondContact OH-OD2 3.18Å; F304-D307 HydrophobicContact CB-CB 4.38Å; F304-D307 WeakPolarHBondContact O-CB 3.46Å; F304-D307 PolarHBondContact O-N 3.04Å; F304-D307 VanDerWaalsContact O-N 3.09Å; P305-D307 VanDerWaalsContact C-N 3.32Å; D307-S309 PolarHBondContact O-N 2.82Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.13Å; D307-A310 PolarHBondContact O-N 3.02Å; D307-A310 VanDerWaalsContact O-N 3.17Å; D307-R338 IonicContact OD1-CZ 3.31Å; D307-R338 IonicContact OD1-NH1 2.69Å; D307-R338 PolarHBondContact OD1-NH1 2.98Å; D307-R338 VanDerWaalsContact OD2-CA 3.31Å; D307-R338 WeakPolarHBondContact OD2-CA 3.29Å; D307-R338 WeakPolarHBondContact OD2-CD 3.18Å; D307-R338 IonicContact OD2-CZ 3.7Å; D307-R338 IonicContact OD2-NE 3.66Å; D307-R338 IonicContact OD2-NH1 3.98Å; D307-R338 PolarHBondContact OD2-NH1 3.04Å; D307-V339 HydrophobicContact CB-CG2 4.05Å; D307-V339 PolarHBondContact OD2-N 2.62Å
308	Y	98.7	Very high	98.2	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.5	-177.1	95.7	-73.4	0	0	0	114.7	R121 T127 R314 T321 I324 D325 R336 K337	R121-Y308 WeakPolarHBondContact CD-O 3.45Å; R121-Y308 PolarHBondContact NH1-O 3.32Å; T127-Y308 VanDerWaalsContact CB-CA 3.42Å; T127-Y308 VanDerWaalsContact OG1-CA 3.28Å; T127-Y308 WeakPolarHBondContact OG1-CA 3.42Å; Y308-R314 PolarHBondContact OH-NE 3.13Å; Y308-R314 VanDerWaalsContact OH-NE 3.07Å; Y308-T321 HydrophobicContact CE2-CG2 3.85Å; Y308-I324 HydrophobicContact CD2-CB 4.43Å; Y308-I324 HydrophobicContact CD2-CD1 4.37Å; Y308-I324 HydrophobicContact CD2-CG2 3.81Å; Y308-I324 HydrophobicContact CE2-CB 4.37Å; Y308-I324 HydrophobicContact CE2-CG2 3.93Å; Y308-D325 WeakPolarHBondContact CE2-OD1 3.47Å; Y308-D325 VanDerWaalsContact OH-CG 3.29Å; Y308-D325 PolarHBondContact OH-OD1 3.18Å; Y308-D325 PolarHBondContact OH-OD2 3.06Å; Y308-D325 VanDerWaalsContact OH-OD2 3.14Å; Y308-R336 HydrophobicContact CD1-CB 3.92Å; Y308-R336 HydrophobicContact CD2-CB 3.98Å; Y308-R336 HydrophobicContact CD2-CG 3.91Å; Y308-R336 HydrophobicContact CE1-CB 4.06Å; Y308-R336 HydrophobicContact CE2-CB 4.12Å; Y308-R336 HydrophobicContact CE2-CG 3.98Å; Y308-R336 HydrophobicContact CG-CB 3.85Å; Y308-R336 HydrophobicContact CG-CG 4.27Å; Y308-K337 VanDerWaalsContact CD1-O 3.31Å; Y308-K337 WeakPolarHBondContact CD1-O 3.33Å; Y308-K337 PolarHBondContact N-O 2.82Å
309	S	98.7	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.2	179.7	-168.6	0	0	0	0	112.2	R121 D307 S311 R314 N318 T321	R121-S309 PolarHBondContact NH1-O 3.21Å; R121-S309 PolarHBondContact NH2-O 3.29Å; D307-S309 PolarHBondContact O-N 2.82Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.13Å; S309-S311 PolarHBondContact O-N 3.1Å; S309-S311 PolarHBondContact O-OG 3.48Å; S309-S311 PolarHBondContact OG-OG 2.84Å; S309-R314 WeakPolarHBondContact OG-CA 3.2Å; S309-N318 PolarHBondContact O-ND2 2.91Å; S309-T321 VanDerWaalsContact CA-OG1 3.3Å; S309-T321 WeakPolarHBondContact CA-OG1 3.48Å; S309-T321 PolarHBondContact O-OG1 2.81Å; S309-T321 PolarHBondContact OG-OG1 2.98Å
310	A	98.6	Very high	98.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	14%	0.142	C	C	.	.	S	Bend	trans	53	17.8	-169.9	0	0	0	0	0	114.6	F297 H301 D307	F297-A310 WeakPolarHBondContact CB-O 3.45Å; H301-A310 HydrophobicContact CB-CB 4.26Å; D307-A310 PolarHBondContact O-N 3.02Å; D307-A310 VanDerWaalsContact O-N 3.17Å
311	S	98.6	Very high	98.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	14%	0.142	C	C	.	.	S	Bend	trans	-153.3	159.8	-176.1	63.1	0	0	0	0	111.2	F297 Y300 S309 Y313 N318 R338	F297-S311 VanDerWaalsContact CD2-CB 3.46Å; Y300-S311 VanDerWaalsContact CD1-CA 3.45Å; Y300-S311 VanDerWaalsContact CD1-N 3.28Å; Y300-S311 VanDerWaalsContact CE1-C 3.48Å; Y300-S311 WeakPolarHBondContact CE1-O 3.41Å; S309-S311 PolarHBondContact O-N 3.1Å; S309-S311 PolarHBondContact O-OG 3.48Å; S309-S311 PolarHBondContact OG-OG 2.84Å; S311-Y313 PolarHBondContact OG-O 2.81Å; S311-N318 PolarHBondContact OG-ND2 2.88Å; S311-R338 PolarHBondContact O-NH1 2.82Å; S311-R338 PolarHBondContact O-NH2 3.34Å
312	E	98.2	Very high	98.2	Very high	36 Å²	36	37.4 Å²	37.4	17%	0.168	16%	0.159	C	C	.	.	S	Bend	trans	-71	-29.7	175.1	179.9	178.7	171.1	0	0	113.8	Y276 Y300 R338 V344 H356	Y276-E312 HydrophobicContact CE1-CB 4.36Å; Y276-E312 VanDerWaalsContact CE1-OE2 3.26Å; Y276-E312 WeakPolarHBondContact CE1-OE2 3.3Å; Y276-E312 WeakPolarHBondContact OH-CB 3.43Å; Y276-E312 PolarHBondContact OH-OE2 3.12Å; Y300-E312 HydrophobicContact CD2-CB 4.04Å; Y300-E312 HydrophobicContact CE2-CB 3.95Å; E312-R338 PolarHBondContact O-NH2 3.45Å; E312-V344 HydrophobicContact CG-CG1 4.35Å; E312-H356 IonicContact OE1-CE1 3.28Å; E312-H356 IonicContact OE1-NE2 3.32Å; E312-H356 PolarHBondContact OE1-NE2 2.66Å; E312-H356 IonicContact OE2-CD2 3.45Å; E312-H356 PolarHBondContact OE2-CD2 3.05Å; E312-H356 IonicContact OE2-NE2 3.58Å; E312-H356 PolarHBondContact OE2-NE2 2.89Å
313	Y	97.4	Very high	98.2	Very high	110 Å²	110	38 Å²	38	43%	0.431	16%	0.162	S	C	.	.	S	Bend	trans	-116	131.7	178.7	-55.7	-58	0	0	0	109.7	S311	S311-Y313 PolarHBondContact OG-O 2.81Å
314	R	97.3	Very high	98.2	Very high	109 Å²	109	37.8 Å²	37.8	41%	0.411	16%	0.16	S	C	.	.	S	Bend	trans	-60.4	-55.8	-170	-78.3	166.6	59	-159.6	-2.7	113	Y308 S309 N318 T321 D325	Y308-R314 PolarHBondContact OH-NE 3.13Å; Y308-R314 VanDerWaalsContact OH-NE 3.07Å; S309-R314 WeakPolarHBondContact OG-CA 3.2Å; R314-N318 WeakPolarHBondContact O-CB 3.5Å; R314-T321 HydrophobicContact CB-CG2 3.82Å; R314-T321 HydrophobicContact CG-CG2 4.09Å; R314-T321 WeakPolarHBondContact O-CB 3.37Å; R314-T321 VanDerWaalsContact O-CG2 3.26Å; R314-T321 WeakPolarHBondContact O-CG2 3.42Å; R314-T321 PolarHBondContact O-OG1 3.41Å; R314-D325 IonicContact CZ-OD2 3.2Å; R314-D325 VanDerWaalsContact CZ-OD2 3.31Å; R314-D325 IonicContact NE-OD2 2.82Å; R314-D325 PolarHBondContact NE-OD2 2.71Å; R314-D325 VanDerWaalsContact NE-OD2 3.1Å; R314-D325 VanDerWaalsContact NH2-CG 3.29Å; R314-D325 IonicContact NH2-OD1 3.39Å; R314-D325 IonicContact NH2-OD2 3.79Å; R314-D325 PolarHBondContact NH2-OD2 3.29Å
315	W	97.8	Very high	98.3	Very high	144 Å²	144	38.2 Å²	38.2	55%	0.545	16%	0.162	S	C	.	.	S	Bend	trans	-109	12.4	-172.4	-56.4	-17	0	0	0	113.5	I317 F322 D325	W315-I317 PolarHBondContact O-N 3.18Å; W315-F322 HydrophobicContact CD2-CD2 4.01Å; W315-F322 AromaticContact CE2-CD2 3.9Å; W315-F322 HydrophobicContact CE3-CD2 4.29Å; W315-F322 HydrophobicContact CG-CB 4.29Å; W315-F322 HydrophobicContact CG-CD2 4.47Å; W315-F322 HydrophobicContact CH2-CD2 4.36Å; W315-F322 HydrophobicContact CZ2-CD2 4.09Å; W315-F322 HydrophobicContact CZ3-CD2 4.45Å; W315-D325 HydrophobicContact CZ2-CB 4.15Å; W315-D325 PolarHBondContact NE1-OD2 3.16Å
316	H	96.7	Very high	98.3	Very high	89 Å²	89	40 Å²	40	41%	0.412	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	105.5	176.4	179.7	72.1	0	0	0	109.4	F297 N318	F297-H316 WeakPolarHBondContact CE2-O 3.31Å; F297-H316 AromaticContact CZ-CD2 3.68Å; F297-H316 VanDerWaalsContact CZ-O 3.28Å; F297-H316 WeakPolarHBondContact CZ-O 3.35Å; H316-N318 PolarHBondContact O-N 2.79Å; H316-N318 VanDerWaalsContact O-N 3.17Å
317	I	96.8	Very high	98.3	Very high	57 Å²	57	40 Å²	40	29%	0.292	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	41.5	-177.3	-39.7	178	0	0	0	111.3	A286 L290 G294 F297 W315	A286-I317 HydrophobicContact CB-CD1 4.14Å; L290-I317 HydrophobicContact CD2-CG2 3.67Å; L290-I317 HydrophobicContact CG-CG2 3.87Å; G294-I317 WeakPolarHBondContact CA-O 3.29Å; F297-I317 HydrophobicContact CE2-CB 4.33Å; F297-I317 HydrophobicContact CZ-CB 4.02Å; W315-I317 PolarHBondContact O-N 3.18Å
318	N	98.4	Very high	98.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	18%	0.183	C	C	.	.			trans	-145	82.6	-173.1	-167.5	-22.2	0	0	0	110.1	R121 M293 F297 S309 S311 R314 H316 T320 T321 F322	R121-N318 PolarHBondContact NH2-ND2 3.32Å; R121-N318 PolarHBondContact NH2-OD1 3.42Å; M293-N318 CarbonylContact O-C 3.54Å; F297-N318 HydrophobicContact CE2-CB 4.43Å; S309-N318 PolarHBondContact O-ND2 2.91Å; S311-N318 PolarHBondContact OG-ND2 2.88Å; R314-N318 WeakPolarHBondContact O-CB 3.5Å; H316-N318 PolarHBondContact O-N 2.79Å; H316-N318 VanDerWaalsContact O-N 3.17Å; N318-T320 VanDerWaalsContact C-N 3.35Å; N318-T321 PolarHBondContact ND2-OG1 3.02Å; N318-T321 WeakPolarHBondContact OD1-CB 3.31Å; N318-T321 PolarHBondContact OD1-N 3.33Å; N318-T321 PolarHBondContact OD1-OG1 3.32Å; N318-F322 PolarHBondContact O-N 2.71Å
319	F	98.4	Very high	98.3	Very high	84 Å²	84	44.9 Å²	44.9	37%	0.368	22%	0.217	S	C	.	.	H	α-helix	trans	-70.2	-34.2	179.5	179.4	-100	0	0	0	111.3	V109 E113 M293 T321 F322 F323	V109-F319 HydrophobicContact CG1-CD1 4.33Å; V109-F319 HydrophobicContact CG1-CE1 3.65Å; V109-F319 HydrophobicContact CG1-CZ 4.29Å; E113-F319 HydrophobicContact CG-CD1 4.45Å; E113-F319 HydrophobicContact CG-CE1 4.21Å; E113-F319 WeakPolarHBondContact OE1-CD1 3.43Å; M293-F319 HydrophobicContact CB-CB 4.22Å; M293-F319 PolarHBondContact O-N 3.24Å; M293-F319 HydrophobicContact SD-CB 4.07Å; M293-F319 HydrophobicContact SD-CD1 4.27Å; M293-F319 HydrophobicContact SD-CG 4.36Å; F319-T321 PolarHBondContact O-N 3.43Å; F319-F322 HydrophobicContact CD2-CD1 4.17Å; F319-F322 HydrophobicContact CE2-CD1 4.04Å; F319-F322 HydrophobicContact CE2-CE1 4.44Å; F319-F322 CarbonylContact O-C 3.58Å; F319-F322 WeakPolarHBondContact O-CA 3.43Å; F319-F322 WeakPolarHBondContact O-CB 3.42Å; F319-F322 PolarHBondContact O-N 3.36Å; F319-F322 VanDerWaalsContact O-N 3.11Å; F319-F323 PolarHBondContact O-N 2.88Å
320	T	98.8	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-42.9	177	-60.7	0	0	0	0	112.3	E113 A117 R121 M293 N318 F323 I324	E113-T320 VanDerWaalsContact OE1-CA 3.29Å; E113-T320 WeakPolarHBondContact OE1-CA 3.32Å; E113-T320 PolarHBondContact OE1-OG1 3.27Å; E113-T320 WeakPolarHBondContact OE2-CA 3.48Å; A117-T320 HydrophobicContact CB-CG2 3.87Å; A117-T320 VanDerWaalsContact N-CG2 3.31Å; R121-T320 VanDerWaalsContact CZ-CG2 3.45Å; M293-T320 PolarHBondContact O-N 2.91Å; M293-T320 PolarHBondContact O-OG1 2.88Å; N318-T320 VanDerWaalsContact C-N 3.35Å; T320-F323 PolarHBondContact O-N 2.76Å; T320-I324 HydrophobicContact CG2-CD1 4.14Å; T320-I324 VanDerWaalsContact O-CG1 3.31Å; T320-I324 WeakPolarHBondContact O-CG1 3.29Å; T320-I324 PolarHBondContact O-N 2.8Å
321	T	98.8	Very high	98.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-40.6	174.1	-60.3	0	0	0	0	111.9	R121 Y308 S309 R314 N318 F319 I324 D325	R121-T321 PolarHBondContact NH1-OG1 3.38Å; Y308-T321 HydrophobicContact CE2-CG2 3.85Å; S309-T321 VanDerWaalsContact CA-OG1 3.3Å; S309-T321 WeakPolarHBondContact CA-OG1 3.48Å; S309-T321 PolarHBondContact O-OG1 2.81Å; S309-T321 PolarHBondContact OG-OG1 2.98Å; R314-T321 HydrophobicContact CB-CG2 3.82Å; R314-T321 HydrophobicContact CG-CG2 4.09Å; R314-T321 WeakPolarHBondContact O-CB 3.37Å; R314-T321 VanDerWaalsContact O-CG2 3.26Å; R314-T321 WeakPolarHBondContact O-CG2 3.42Å; R314-T321 PolarHBondContact O-OG1 3.41Å; N318-T321 PolarHBondContact ND2-OG1 3.02Å; N318-T321 WeakPolarHBondContact OD1-CB 3.31Å; N318-T321 PolarHBondContact OD1-N 3.33Å; N318-T321 PolarHBondContact OD1-OG1 3.32Å; F319-T321 PolarHBondContact O-N 3.43Å; T321-I324 PolarHBondContact O-N 3.14Å; T321-D325 WeakPolarHBondContact O-CB 3.47Å; T321-D325 VanDerWaalsContact O-CG 3.24Å; T321-D325 PolarHBondContact O-N 3.38Å
322	F	98.7	Very high	98.3	Very high	85 Å²	85	54.2 Å²	54.2	37%	0.373	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-46.5	175	172	-98.2	0	0	0	111.3	W315 N318 F319 I324 D325 C326	W315-F322 HydrophobicContact CD2-CD2 4.01Å; W315-F322 AromaticContact CE2-CD2 3.9Å; W315-F322 HydrophobicContact CE3-CD2 4.29Å; W315-F322 HydrophobicContact CG-CB 4.29Å; W315-F322 HydrophobicContact CG-CD2 4.47Å; W315-F322 HydrophobicContact CH2-CD2 4.36Å; W315-F322 HydrophobicContact CZ2-CD2 4.09Å; W315-F322 HydrophobicContact CZ3-CD2 4.45Å; N318-F322 PolarHBondContact O-N 2.71Å; F319-F322 HydrophobicContact CD2-CD1 4.17Å; F319-F322 HydrophobicContact CE2-CD1 4.04Å; F319-F322 HydrophobicContact CE2-CE1 4.44Å; F319-F322 CarbonylContact O-C 3.58Å; F319-F322 WeakPolarHBondContact O-CA 3.43Å; F319-F322 WeakPolarHBondContact O-CB 3.42Å; F319-F322 PolarHBondContact O-N 3.36Å; F319-F322 VanDerWaalsContact O-N 3.11Å; F322-I324 PolarHBondContact O-N 3.07Å; F322-D325 PolarHBondContact O-N 3.04Å; F322-C326 VanDerWaalsContact CZ-SG 3.57Å; F322-C326 PolarHBondContact O-N 3.09Å; F322-C326 PolarHBondContact O-SG 2.93Å
323	F	98.8	Very high	98.4	Very high	30 Å²	30	52.7 Å²	52.7	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-49.9	175	169.3	-100.2	0	0	0	111.9	E113 A117 L134 F137 L138 F319 T320 D325 C326 M327	E113-F323 WeakPolarHBondContact OE2-CD1 3.48Å; A117-F323 HydrophobicContact CB-CD1 3.74Å; A117-F323 HydrophobicContact CB-CE1 3.84Å; L134-F323 HydrophobicContact CD1-CE1 4.07Å; L134-F323 HydrophobicContact CD1-CZ 3.8Å; F137-F323 AromaticContact CD1-CZ 3.95Å; F137-F323 HydrophobicContact CD1-CZ 3.95Å; F137-F323 HydrophobicContact CE1-CE1 4.36Å; F137-F323 HydrophobicContact CE1-CE2 4.05Å; F137-F323 AromaticContact CE1-CZ 3.53Å; F137-F323 HydrophobicContact CE1-CZ 3.53Å; F137-F323 HydrophobicContact CZ-CZ 4.46Å; L138-F323 HydrophobicContact CD2-CE1 4.09Å; F319-F323 PolarHBondContact O-N 2.88Å; T320-F323 PolarHBondContact O-N 2.76Å; F323-D325 VanDerWaalsContact C-N 3.26Å; F323-D325 PolarHBondContact O-N 2.74Å; F323-C326 WeakPolarHBondContact O-CB 3.43Å; F323-C326 PolarHBondContact O-N 3.19Å; F323-M327 HydrophobicContact CD1-CG 4.43Å; F323-M327 HydrophobicContact CD2-CE 4.33Å; F323-M327 HydrophobicContact CD2-CG 4.35Å; F323-M327 HydrophobicContact CE1-CG 3.95Å; F323-M327 HydrophobicContact CE2-CE 3.91Å; F323-M327 HydrophobicContact CE2-CG 3.87Å; F323-M327 HydrophobicContact CE2-SD 4Å; F323-M327 HydrophobicContact CZ-CG 3.64Å; F323-M327 HydrophobicContact CZ-SD 4.03Å; F323-M327 WeakPolarHBondContact O-CG 3.47Å; F323-M327 PolarHBondContact O-N 2.63Å
324	I	98.9	Very high	98.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-39.1	177.7	-65.5	164.6	0	0	0	111	A117 Y128 Y308 T320 T321 F322 M327 A328 A333 R336	A117-I324 HydrophobicContact CB-CD1 4.17Å; A117-I324 HydrophobicContact CB-CG1 3.95Å; Y128-I324 HydrophobicContact CD1-CD1 4.47Å; Y128-I324 HydrophobicContact CD2-CG2 4.21Å; Y128-I324 HydrophobicContact CE1-CD1 4.05Å; Y128-I324 HydrophobicContact CE1-CG1 4.45Å; Y128-I324 HydrophobicContact CE2-CG2 4.3Å; Y128-I324 HydrophobicContact CG-CG2 4.36Å; Y308-I324 HydrophobicContact CD2-CB 4.43Å; Y308-I324 HydrophobicContact CD2-CD1 4.37Å; Y308-I324 HydrophobicContact CD2-CG2 3.81Å; Y308-I324 HydrophobicContact CE2-CB 4.37Å; Y308-I324 HydrophobicContact CE2-CG2 3.93Å; T320-I324 HydrophobicContact CG2-CD1 4.14Å; T320-I324 VanDerWaalsContact O-CG1 3.31Å; T320-I324 WeakPolarHBondContact O-CG1 3.29Å; T320-I324 PolarHBondContact O-N 2.8Å; T321-I324 PolarHBondContact O-N 3.14Å; F322-I324 PolarHBondContact O-N 3.07Å; I324-M327 PolarHBondContact O-N 2.67Å; I324-A328 PolarHBondContact O-N 2.71Å; I324-A333 HydrophobicContact CG2-CB 4.48Å; I324-R336 HydrophobicContact CG2-CG 4.27Å
325	D	98.8	Very high	98.5	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.048	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-38.2	178.3	-72.8	-24.6	0	0	0	113	Y308 R314 W315 T321 F322 F323 A328 A329 R336	Y308-D325 WeakPolarHBondContact CE2-OD1 3.47Å; Y308-D325 VanDerWaalsContact OH-CG 3.29Å; Y308-D325 PolarHBondContact OH-OD1 3.18Å; Y308-D325 PolarHBondContact OH-OD2 3.06Å; Y308-D325 VanDerWaalsContact OH-OD2 3.14Å; R314-D325 IonicContact CZ-OD2 3.2Å; R314-D325 VanDerWaalsContact CZ-OD2 3.31Å; R314-D325 IonicContact NE-OD2 2.82Å; R314-D325 PolarHBondContact NE-OD2 2.71Å; R314-D325 VanDerWaalsContact NE-OD2 3.1Å; R314-D325 VanDerWaalsContact NH2-CG 3.29Å; R314-D325 IonicContact NH2-OD1 3.39Å; R314-D325 IonicContact NH2-OD2 3.79Å; R314-D325 PolarHBondContact NH2-OD2 3.29Å; W315-D325 HydrophobicContact CZ2-CB 4.15Å; W315-D325 PolarHBondContact NE1-OD2 3.16Å; T321-D325 WeakPolarHBondContact O-CB 3.47Å; T321-D325 VanDerWaalsContact O-CG 3.24Å; T321-D325 PolarHBondContact O-N 3.38Å; F322-D325 PolarHBondContact O-N 3.04Å; F323-D325 VanDerWaalsContact C-N 3.26Å; F323-D325 PolarHBondContact O-N 2.74Å; D325-A328 PolarHBondContact O-N 2.74Å; D325-A329 PolarHBondContact O-N 2.59Å; D325-R336 IonicContact OD1-CZ 3.1Å; D325-R336 IonicContact OD1-NE 2.82Å; D325-R336 IonicContact OD1-NH1 3.42Å; D325-R336 PolarHBondContact OD1-NH1 3.49Å
326	C	98.8	Very high	98.5	Very high	44 Å²	44	48.6 Å²	48.6	30%	0.297	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-44.4	169.7	-70.8	0	0	0	0	111.1	F322 F323 A328 A329 L330	F322-C326 VanDerWaalsContact CZ-SG 3.57Å; F322-C326 PolarHBondContact O-N 3.09Å; F322-C326 PolarHBondContact O-SG 2.93Å; F323-C326 WeakPolarHBondContact O-CB 3.43Å; F323-C326 PolarHBondContact O-N 3.19Å; C326-A328 VanDerWaalsContact C-N 3.26Å; C326-A328 PolarHBondContact O-N 3.41Å; C326-A329 WeakPolarHBondContact O-CB 3.31Å; C326-A329 PolarHBondContact O-N 2.65Å; C326-A329 VanDerWaalsContact O-N 3.16Å; C326-L330 WeakPolarHBondContact O-CG 3.31Å; C326-L330 PolarHBondContact O-N 3.11Å
327	M	98.8	Very high	98.6	Very high	30 Å²	30	45.3 Å²	45.3	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-32.8	176.6	-65.4	-56.6	102.3	0	0	112.1	L134 F323 I324 L330 G331 L332 A333	L134-M327 HydrophobicContact CD1-CB 4.45Å; L134-M327 HydrophobicContact CD1-CG 3.75Å; L134-M327 HydrophobicContact CD1-SD 3.99Å; L134-M327 HydrophobicContact CD2-CB 3.85Å; L134-M327 HydrophobicContact CD2-CG 4.05Å; F323-M327 HydrophobicContact CD1-CG 4.43Å; F323-M327 HydrophobicContact CD2-CE 4.33Å; F323-M327 HydrophobicContact CD2-CG 4.35Å; F323-M327 HydrophobicContact CE1-CG 3.95Å; F323-M327 HydrophobicContact CE2-CE 3.91Å; F323-M327 HydrophobicContact CE2-CG 3.87Å; F323-M327 HydrophobicContact CE2-SD 4Å; F323-M327 HydrophobicContact CZ-CG 3.64Å; F323-M327 HydrophobicContact CZ-SD 4.03Å; F323-M327 WeakPolarHBondContact O-CG 3.47Å; F323-M327 PolarHBondContact O-N 2.63Å; I324-M327 PolarHBondContact O-N 2.67Å; M327-L330 HydrophobicContact CE-CD1 3.78Å; M327-L330 PolarHBondContact O-N 3.18Å; M327-L330 HydrophobicContact SD-CD1 4.44Å; M327-G331 PolarHBondContact O-N 3.11Å; M327-L332 HydrophobicContact CB-CB 4.36Å; M327-L332 WeakPolarHBondContact O-CA 3.36Å; M327-L332 WeakPolarHBondContact O-CB 3.39Å; M327-L332 PolarHBondContact O-N 3.44Å; M327-L332 HydrophobicContact SD-CD1 4Å; M327-A333 HydrophobicContact CB-CB 4.1Å; M327-A333 PolarHBondContact O-N 3.43Å
328	A	98.8	Very high	98.7	Very high	17 Å²	17	46 Å²	46	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-38.4	173.3	0	0	0	0	0	112.4	I324 D325 C326 L330 G331 A333	I324-A328 PolarHBondContact O-N 2.71Å; D325-A328 PolarHBondContact O-N 2.74Å; C326-A328 VanDerWaalsContact C-N 3.26Å; C326-A328 PolarHBondContact O-N 3.41Å; A328-L330 VanDerWaalsContact C-N 3.26Å; A328-L330 PolarHBondContact O-N 2.78Å; A328-G331 PolarHBondContact O-N 2.69Å; A328-A333 VanDerWaalsContact CA-O 3.29Å; A328-A333 WeakPolarHBondContact CA-O 3.44Å; A328-A333 HydrophobicContact CB-CB 4.16Å; A328-A333 WeakPolarHBondContact CB-O 3.28Å
329	A	98.7	Very high	98.7	Very high	91 Å²	91	46.3 Å²	46.3	75%	0.752	24%	0.242	S	C	*	.	H	α-helix	trans	-62.3	-33.8	173.1	0	0	0	0	0	112.3	D325 C326 G331	D325-A329 PolarHBondContact O-N 2.59Å; C326-A329 WeakPolarHBondContact O-CB 3.31Å; C326-A329 PolarHBondContact O-N 2.65Å; C326-A329 VanDerWaalsContact O-N 3.16Å; A329-G331 PolarHBondContact O-N 3.1Å
330	L	98.6	Very high	98.6	Very high	123 Å²	123	44.3 Å²	44.3	64%	0.644	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2	172.4	-62.5	176.8	0	0	0	113.8	C326 M327 A328 L332	C326-L330 WeakPolarHBondContact O-CG 3.31Å; C326-L330 PolarHBondContact O-N 3.11Å; M327-L330 HydrophobicContact CE-CD1 3.78Å; M327-L330 PolarHBondContact O-N 3.18Å; M327-L330 HydrophobicContact SD-CD1 4.44Å; A328-L330 VanDerWaalsContact C-N 3.26Å; A328-L330 PolarHBondContact O-N 2.78Å; L330-L332 HydrophobicContact CB-CD1 4.37Å; L330-L332 HydrophobicContact CB-CG 4.2Å; L330-L332 PolarHBondContact O-N 2.85Å
331	G	98.6	Very high	98.5	Very high	33 Å²	33	52.8 Å²	52.8	34%	0.34	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	17.8	-177.1	0	0	0	0	0	113.9	R131 M327 A328 A329	R131-G331 VanDerWaalsContact CD-O 3.32Å; R131-G331 WeakPolarHBondContact CD-O 3.41Å; R131-G331 PolarHBondContact NH1-O 2.88Å; M327-G331 PolarHBondContact O-N 3.11Å; A328-G331 PolarHBondContact O-N 2.69Å; A329-G331 PolarHBondContact O-N 3.1Å
332	L	98.8	Very high	98.4	Very high	44 Å²	44	55.5 Å²	55.5	23%	0.23	30%	0.298	C	S	.	.	S	Bend	trans	-92.3	-22.8	177.6	-61	179.2	0	0	0	113.1	A130 R131 P133 L134 M327 L330	A130-L332 WeakPolarHBondContact CA-O 3.49Å; R131-L332 PolarHBondContact N-O 3.14Å; P133-L332 HydrophobicContact CB-CD2 4.12Å; P133-L332 HydrophobicContact CG-CD2 4.18Å; L134-L332 HydrophobicContact CB-CB 4.06Å; L134-L332 HydrophobicContact CD2-CB 4.4Å; M327-L332 HydrophobicContact CB-CB 4.36Å; M327-L332 WeakPolarHBondContact O-CA 3.36Å; M327-L332 WeakPolarHBondContact O-CB 3.39Å; M327-L332 PolarHBondContact O-N 3.44Å; M327-L332 HydrophobicContact SD-CD1 4Å; L330-L332 HydrophobicContact CB-CD1 4.37Å; L330-L332 HydrophobicContact CB-CG 4.2Å; L330-L332 PolarHBondContact O-N 2.85Å
333	A	98.9	Very high	98.4	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.3	174.2	0	0	0	0	0	111.7	Y128 K129 L134 I324 M327 A328	Y128-A333 HydrophobicContact CD2-CB 3.89Å; Y128-A333 HydrophobicContact CE2-CB 4.01Å; K129-A333 CarbonylContact O-C 3.6Å; K129-A333 VanDerWaalsContact O-CA 3.31Å; K129-A333 WeakPolarHBondContact O-CA 3.28Å; L134-A333 HydrophobicContact CD2-CB 3.96Å; I324-A333 HydrophobicContact CG2-CB 4.48Å; M327-A333 HydrophobicContact CB-CB 4.1Å; M327-A333 PolarHBondContact O-N 3.43Å; A328-A333 VanDerWaalsContact CA-O 3.29Å; A328-A333 WeakPolarHBondContact CA-O 3.44Å; A328-A333 HydrophobicContact CB-CB 4.16Å; A328-A333 WeakPolarHBondContact CB-O 3.28Å
334	Y	98.8	Very high	98.3	Very high	110 Å²	110	51.3 Å²	51.3	43%	0.431	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	178.3	178.4	65.6	-78.4	0	0	0	110.9	K129 R131 R336	K129-Y334 HydrophobicContact CB-CD1 4.09Å; K129-Y334 HydrophobicContact CB-CD2 4.13Å; K129-Y334 HydrophobicContact CB-CE1 3.69Å; K129-Y334 HydrophobicContact CB-CE2 3.76Å; K129-Y334 HydrophobicContact CB-CG 4.29Å; K129-Y334 HydrophobicContact CD-CE2 3.73Å; K129-Y334 HydrophobicContact CG-CE2 4.35Å; K129-Y334 PolarHBondContact N-O 2.96Å; K129-Y334 PolarHBondContact O-N 2.84Å; R131-Y334 HydrophobicContact CG-CE1 4.31Å; Y334-R336 VanDerWaalsContact C-N 3.26Å; Y334-R336 PolarHBondContact O-N 3.33Å
335	D	98.6	Very high	98.2	Very high	67 Å²	67	56 Å²	56	36%	0.358	31%	0.307	S	S	.	.			trans	52.6	42.8	-177.7	-169.9	30.7	0	0	0	112.9	Y128 K129 K337	Y128-D335 WeakPolarHBondContact CA-O 3.43Å; K129-D335 HydrophobicContact CB-CB 4.41Å; K129-D335 HydrophobicContact CD-CB 4.14Å; K129-D335 HydrophobicContact CG-CB 4.24Å; K129-D335 IonicContact NZ-OD2 2.62Å; K129-D335 PolarHBondContact NZ-OD2 3.05Å; D335-K337 PolarHBondContact O-N 2.95Å; D335-K337 VanDerWaalsContact O-N 3.17Å; D335-K337 IonicContact OD1-NZ 3.32Å; D335-K337 PolarHBondContact OD1-NZ 3.45Å; D335-K337 IonicContact OD2-NZ 2.74Å; D335-K337 PolarHBondContact OD2-NZ 3.16Å
336	R	98.7	Very high	98.1	Very high	100 Å²	100	57.7 Å²	57.7	38%	0.377	32%	0.322	S	S	.	.			trans	-71.8	104.3	178.4	-68	169.7	-66.5	179.6	-5	109.3	Y308 I324 D325 Y334	Y308-R336 HydrophobicContact CD1-CB 3.92Å; Y308-R336 HydrophobicContact CD2-CB 3.98Å; Y308-R336 HydrophobicContact CD2-CG 3.91Å; Y308-R336 HydrophobicContact CE1-CB 4.06Å; Y308-R336 HydrophobicContact CE2-CB 4.12Å; Y308-R336 HydrophobicContact CE2-CG 3.98Å; Y308-R336 HydrophobicContact CG-CB 3.85Å; Y308-R336 HydrophobicContact CG-CG 4.27Å; I324-R336 HydrophobicContact CG2-CG 4.27Å; D325-R336 IonicContact OD1-CZ 3.1Å; D325-R336 IonicContact OD1-NE 2.82Å; D325-R336 IonicContact OD1-NH1 3.42Å; D325-R336 PolarHBondContact OD1-NH1 3.49Å; Y334-R336 VanDerWaalsContact C-N 3.26Å; Y334-R336 PolarHBondContact O-N 3.33Å
337	K	98.5	Very high	98.1	Very high	20 Å²	20	57 Å²	57	9%	0.087	31%	0.313	C	S	.	.			trans	-79.9	127.3	-174.9	-61.8	178.6	-175	-63	0	110.5	I46 R47 E49 T127 Y306 Y308 D335	I46-K337 HydrophobicContact CD1-CB 4.11Å; I46-K337 HydrophobicContact CG1-CB 4.47Å; I46-K337 WeakPolarHBondContact O-CD 3.33Å; I46-K337 PolarHBondContact O-NZ 3.39Å; R47-K337 HydrophobicContact CB-CD 3.55Å; R47-K337 HydrophobicContact CG-CD 3.53Å; E49-K337 WeakPolarHBondContact OE1-CE 3.26Å; E49-K337 IonicContact OE1-NZ 3.37Å; E49-K337 PolarHBondContact OE1-NZ 3.2Å; E49-K337 IonicContact OE2-NZ 2.64Å; T127-K337 WeakPolarHBondContact O-CB 3.41Å; T127-K337 WeakPolarHBondContact O-CG 3.41Å; T127-K337 PolarHBondContact O-N 3.49Å; Y306-K337 WeakPolarHBondContact O-CB 3.48Å; Y308-K337 VanDerWaalsContact CD1-O 3.31Å; Y308-K337 WeakPolarHBondContact CD1-O 3.33Å; Y308-K337 PolarHBondContact N-O 2.82Å; D335-K337 PolarHBondContact O-N 2.95Å; D335-K337 VanDerWaalsContact O-N 3.17Å; D335-K337 IonicContact OD1-NZ 3.32Å; D335-K337 PolarHBondContact OD1-NZ 3.45Å; D335-K337 IonicContact OD2-NZ 2.74Å; D335-K337 PolarHBondContact OD2-NZ 3.16Å
338	R	98.2	Very high	98	Very high	72 Å²	72	56.9 Å²	56.9	27%	0.272	31%	0.312	S	S	.	.			trans	-132.7	129.1	-175.7	-172.6	74	-167	133.4	5.9	110.1	I46 Y300 D307 S311 E312	I46-R338 WeakPolarHBondContact CD1-O 3.17Å; Y300-R338 PolarHBondContact OH-NH1 3.32Å; Y300-R338 VanDerWaalsContact OH-NH1 3.11Å; Y300-R338 PolarHBondContact OH-NH2 3.2Å; D307-R338 IonicContact OD1-CZ 3.31Å; D307-R338 IonicContact OD1-NH1 2.69Å; D307-R338 PolarHBondContact OD1-NH1 2.98Å; D307-R338 VanDerWaalsContact OD2-CA 3.31Å; D307-R338 WeakPolarHBondContact OD2-CA 3.29Å; D307-R338 WeakPolarHBondContact OD2-CD 3.18Å; D307-R338 IonicContact OD2-CZ 3.7Å; D307-R338 IonicContact OD2-NE 3.66Å; D307-R338 IonicContact OD2-NH1 3.98Å; D307-R338 PolarHBondContact OD2-NH1 3.04Å; S311-R338 PolarHBondContact O-NH1 2.82Å; S311-R338 PolarHBondContact O-NH2 3.34Å; E312-R338 PolarHBondContact O-NH2 3.45Å
339	V	97.9	Very high	98	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.055	35%	0.345	C	S	.	.			trans	-68.7	133.5	175.9	-175.7	0	0	0	0	109.8	I46 F304 Y306 D307 T343 V344	I46-V339 HydrophobicContact CD1-CG2 4.24Å; F304-V339 HydrophobicContact CB-CG2 3.86Å; F304-V339 HydrophobicContact CD1-CG1 4.03Å; F304-V339 HydrophobicContact CD1-CG2 3.96Å; F304-V339 HydrophobicContact CE1-CG1 4.04Å; F304-V339 HydrophobicContact CG-CG2 3.98Å; F304-V339 HydrophobicContact CZ-CG1 4.5Å; Y306-V339 HydrophobicContact CD2-CG2 3.95Å; Y306-V339 HydrophobicContact CE2-CG2 3.59Å; D307-V339 HydrophobicContact CB-CG2 4.05Å; D307-V339 PolarHBondContact OD2-N 2.62Å; V339-T343 HydrophobicContact CG1-CG2 3.66Å; V339-V344 HydrophobicContact CB-CG2 4.09Å; V339-V344 HydrophobicContact CG1-CG2 3.71Å
340	S	97.5	Very high	97.9	Very high	43 Å²	43	67.9 Å²	67.9	30%	0.301	34%	0.336	S	S	.	.			trans	-64.8	145.2	179.3	67.2	0	0	0	0	111.1	A342 T343 V344	S340-A342 PolarHBondContact O-N 2.96Å; S340-A342 VanDerWaalsContact O-N 3.17Å; S340-T343 PolarHBondContact O-N 3.32Å; S340-T343 PolarHBondContact OG-N 3.28Å; S340-T343 PolarHBondContact OG-OG1 3.49Å; S340-V344 PolarHBondContact O-N 2.94Å
341	K	96.9	Very high	97.9	Very high	177 Å²	177	62.8 Å²	62.8	77%	0.77	31%	0.31	S	S	*	.	H	α-helix	trans	-54.7	-36.8	177.6	-66.7	178	-177.4	168.4	0	112	V344 L345	K341-V344 PolarHBondContact O-N 3.17Å; K341-L345 WeakPolarHBondContact O-CB 3.47Å; K341-L345 VanDerWaalsContact O-CG 3.28Å; K341-L345 WeakPolarHBondContact O-CG 3.34Å; K341-L345 PolarHBondContact O-N 3.29Å
342	A	97.2	Very high	97.9	Very high	58 Å²	58	61.9 Å²	61.9	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.7	0	0	0	0	0	112	S340 L345 A346	S340-A342 PolarHBondContact O-N 2.96Å; S340-A342 VanDerWaalsContact O-N 3.17Å; A342-L345 PolarHBondContact O-N 3.01Å; A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.1Å; A342-A346 PolarHBondContact O-N 2.81Å
343	T	97.1	Very high	97.8	Very high	21 Å²	21	62.6 Å²	62.6	13%	0.129	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-43.8	177.2	-57.1	0	0	0	0	111.5	E43 F304 V339 S340 A346 R347	E43-T343 HydrophobicContact CG-CG2 4.35Å; F304-T343 HydrophobicContact CE1-CG2 4.17Å; V339-T343 HydrophobicContact CG1-CG2 3.66Å; S340-T343 PolarHBondContact O-N 3.32Å; S340-T343 PolarHBondContact OG-N 3.28Å; S340-T343 PolarHBondContact OG-OG1 3.49Å; T343-A346 PolarHBondContact O-N 2.9Å; T343-R347 PolarHBondContact O-N 2.62Å
344	V	97.6	Very high	97.7	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-50.3	176.4	177.7	0	0	0	0	111	Y276 Y300 F304 E312 V339 S340 K341 A346 R347 I348	Y276-V344 HydrophobicContact CD1-CG1 4.09Å; Y276-V344 HydrophobicContact CE1-CG1 3.84Å; Y300-V344 HydrophobicContact CE2-CG1 4.26Å; Y300-V344 HydrophobicContact CE2-CG2 3.96Å; F304-V344 HydrophobicContact CE2-CG2 4.23Å; F304-V344 HydrophobicContact CZ-CG2 4.34Å; E312-V344 HydrophobicContact CG-CG1 4.35Å; V339-V344 HydrophobicContact CB-CG2 4.09Å; V339-V344 HydrophobicContact CG1-CG2 3.71Å; S340-V344 PolarHBondContact O-N 2.94Å; K341-V344 PolarHBondContact O-N 3.17Å; V344-A346 VanDerWaalsContact C-N 3.34Å; V344-A346 PolarHBondContact O-N 2.98Å; V344-R347 PolarHBondContact O-N 3.37Å; V344-I348 HydrophobicContact CG1-CD1 3.83Å; V344-I348 HydrophobicContact CG1-CG1 4.47Å; V344-I348 WeakPolarHBondContact O-CG1 3.33Å; V344-I348 PolarHBondContact O-N 3.17Å
345	L	96.9	Very high	97.6	Very high	100 Å²	100	60.7 Å²	60.7	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-38.5	179	-72.6	170.6	0	0	0	112.6	K341 A342 I348 K349	K341-L345 WeakPolarHBondContact O-CB 3.47Å; K341-L345 VanDerWaalsContact O-CG 3.28Å; K341-L345 WeakPolarHBondContact O-CG 3.34Å; K341-L345 PolarHBondContact O-N 3.29Å; A342-L345 PolarHBondContact O-N 3.01Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 PolarHBondContact O-N 2.99Å; L345-K349 WeakPolarHBondContact O-CB 3.48Å; L345-K349 PolarHBondContact O-N 3.03Å
346	A	97.2	Very high	97.5	Very high	43 Å²	43	59.7 Å²	59.7	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-42.4	175.4	0	0	0	0	0	111.6	A342 T343 V344 K349 R350	A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.1Å; A342-A346 PolarHBondContact O-N 2.81Å; T343-A346 PolarHBondContact O-N 2.9Å; V344-A346 VanDerWaalsContact C-N 3.34Å; V344-A346 PolarHBondContact O-N 2.98Å; A346-K349 PolarHBondContact O-N 3.21Å; A346-R350 WeakPolarHBondContact O-CB 3.3Å; A346-R350 PolarHBondContact O-N 3.42Å
347	R	97.5	Very high	96.8	Very high	30 Å²	30	64.5 Å²	64.5	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-64.4	-46.3	176	-173.2	64.4	172.5	-84	-1.1	111.9	D277 A303 F304 T343 V344 K349 R350 T351	D277-R347 IonicContact OD2-CZ 2.63Å; D277-R347 IonicContact OD2-NE 2.71Å; D277-R347 PolarHBondContact OD2-NE 3Å; D277-R347 IonicContact OD2-NH2 3.78Å; D277-R347 PolarHBondContact OD2-NH2 3.43Å; A303-R347 PolarHBondContact O-NH1 3.03Å; F304-R347 HydrophobicContact CE1-CB 4.32Å; F304-R347 HydrophobicContact CE1-CG 4.35Å; F304-R347 HydrophobicContact CE2-CG 4.43Å; F304-R347 HydrophobicContact CZ-CB 3.62Å; F304-R347 HydrophobicContact CZ-CG 3.72Å; T343-R347 PolarHBondContact O-N 2.62Å; V344-R347 PolarHBondContact O-N 3.37Å; R347-K349 VanDerWaalsContact C-N 3.28Å; R347-K349 PolarHBondContact O-N 3.04Å; R347-R350 VanDerWaalsContact CD-NH2 3.27Å; R347-R350 PolarHBondContact O-N 3.42Å; R347-T351 VanDerWaalsContact CD-OG1 3.28Å; R347-T351 WeakPolarHBondContact CD-OG1 3.38Å; R347-T351 PolarHBondContact NE-OG1 2.87Å; R347-T351 PolarHBondContact O-N 2.91Å; R347-T351 PolarHBondContact O-OG1 3.12Å; R347-T351 VanDerWaalsContact O-OG1 3.11Å
348	I	98	Very high	95.6	Very high	27 Å²	27	69.1 Å²	69.1	14%	0.138	37%	0.367	C	S	.	.	H	α-helix	trans	-54.5	-46.5	174.9	-67.2	161.5	0	0	0	110.3	Y276 V344 L345 R350 G352 H356	Y276-I348 HydrophobicContact CD1-CD1 4.02Å; Y276-I348 HydrophobicContact CD1-CG1 3.61Å; Y276-I348 HydrophobicContact CE1-CD1 3.91Å; Y276-I348 HydrophobicContact CE1-CG1 4.03Å; V344-I348 HydrophobicContact CG1-CD1 3.83Å; V344-I348 HydrophobicContact CG1-CG1 4.47Å; V344-I348 WeakPolarHBondContact O-CG1 3.33Å; V344-I348 PolarHBondContact O-N 3.17Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 PolarHBondContact O-N 2.99Å; I348-R350 VanDerWaalsContact C-N 3.33Å; I348-R350 PolarHBondContact O-N 3.37Å; I348-G352 VanDerWaalsContact O-CA 3.29Å; I348-G352 WeakPolarHBondContact O-CA 3.38Å; I348-G352 PolarHBondContact O-N 3.02Å; I348-H356 HydrophobicContact CG2-CB 4.04Å
349	K	97.5	Very high	93.7	Very high	191 Å²	191	70.3 Å²	70.3	83%	0.83	40%	0.402	S	S	*	.	H	α-helix	trans	-64.9	-35.1	178.3	-173.6	178.6	178.4	-178.2	0	112.9	L345 A346 R347	L345-K349 WeakPolarHBondContact O-CB 3.48Å; L345-K349 PolarHBondContact O-N 3.03Å; A346-K349 PolarHBondContact O-N 3.21Å; R347-K349 VanDerWaalsContact C-N 3.28Å; R347-K349 PolarHBondContact O-N 3.04Å
350	R	97.8	Very high	93.5	Very high	148 Å²	148	73.4 Å²	73.4	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-78	-44.4	-176.7	-169.4	176.6	67.7	-158.6	-1.3	112.5	E43 A346 R347 I348	E43-R350 IonicContact OE1-CZ 3.39Å; E43-R350 IonicContact OE1-NH1 3.01Å; E43-R350 PolarHBondContact OE1-NH1 3.27Å; E43-R350 IonicContact OE1-NH2 2.81Å; E43-R350 PolarHBondContact OE1-NH2 3.37Å; A346-R350 WeakPolarHBondContact O-CB 3.3Å; A346-R350 PolarHBondContact O-N 3.42Å; R347-R350 VanDerWaalsContact CD-NH2 3.27Å; R347-R350 PolarHBondContact O-N 3.42Å; I348-R350 VanDerWaalsContact C-N 3.33Å; I348-R350 PolarHBondContact O-N 3.37Å
351	T	98.1	Very high	93.2	Very high	16 Å²	16	75 Å²	75	10%	0.098	43%	0.426	C	S	.	.	H	α-helix	trans	-134.2	-2.5	-166.9	48.8	0	0	0	0	114.9	Y276 D277 K278 R347	Y276-T351 CarbonylContact O-C 3.45Å; Y276-T351 PolarHBondContact O-OG1 2.92Å; D277-T351 CarbonylContact C-O 3.54Å; D277-T351 WeakPolarHBondContact CA-O 3.28Å; K278-T351 WeakPolarHBondContact CG-O 3.45Å; K278-T351 PolarHBondContact N-O 3.46Å; R347-T351 VanDerWaalsContact CD-OG1 3.28Å; R347-T351 WeakPolarHBondContact CD-OG1 3.38Å; R347-T351 PolarHBondContact NE-OG1 2.87Å; R347-T351 PolarHBondContact O-N 2.91Å; R347-T351 PolarHBondContact O-OG1 3.12Å; R347-T351 VanDerWaalsContact O-OG1 3.11Å
352	G	97.8	Very high	93	Very high	14 Å²	14	69.3 Å²	69.3	14%	0.144	41%	0.407	C	S	.	.			trans	-65.5	153.7	-179.8	0	0	0	0	0	113.9	P275 Y276 I348 G354	P275-G352 WeakPolarHBondContact O-CA 3.49Å; Y276-G352 PolarHBondContact O-N 2.88Å; I348-G352 VanDerWaalsContact O-CA 3.29Å; I348-G352 WeakPolarHBondContact O-CA 3.38Å; I348-G352 PolarHBondContact O-N 3.02Å; G352-G354 VanDerWaalsContact C-N 3.32Å
353	D	97.6	Very high	92.8	Very high	60 Å²	60	70 Å²	70	32%	0.321	40%	0.402	S	S	.	.			trans	-82.8	-5.5	174.8	70.6	-4.5	0	0	0	114.1	R274 P275 K278 S355	R274-D353 VanDerWaalsContact C-OD1 3.27Å; R274-D353 WeakPolarHBondContact CA-OD2 3.38Å; R274-D353 HydrophobicContact CB-CB 4.38Å; R274-D353 PolarHBondContact N-OD2 2.84Å; R274-D353 WeakPolarHBondContact O-CB 3.49Å; R274-D353 PolarHBondContact O-N 2.82Å; R274-D353 VanDerWaalsContact O-OD1 3.14Å; P275-D353 WeakPolarHBondContact CA-OD1 3.41Å; K278-D353 HydrophobicContact CB-CB 3.93Å; D353-S355 VanDerWaalsContact OD1-CB 3.3Å; D353-S355 WeakPolarHBondContact OD1-CB 3.28Å; D353-S355 PolarHBondContact OD1-N 3.08Å; D353-S355 PolarHBondContact OD1-OG 2.78Å; D353-S355 VanDerWaalsContact OD1-OG 3.13Å
354	G	96.7	Very high	92.5	Very high	51 Å²	51	73.1 Å²	73.1	53%	0.526	42%	0.419	S	S	.	.	S	Bend	trans	94.5	-4.7	-179.6	0	0	0	0	0	115.2	G352 H356	G352-G354 VanDerWaalsContact C-N 3.32Å; G354-H356 VanDerWaalsContact C-N 3.25Å; G354-H356 PolarHBondContact O-N 3.15Å
355	S	96.8	Very high	92.2	Very high	23 Å²	23	77.6 Å²	77.6	16%	0.161	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-73.5	-13.9	-177.8	83.3	0	0	0	0	114.1	Y273 D353 K357 S358	Y273-S355 WeakPolarHBondContact CB-OG 3.48Å; D353-S355 VanDerWaalsContact OD1-CB 3.3Å; D353-S355 WeakPolarHBondContact OD1-CB 3.28Å; D353-S355 PolarHBondContact OD1-N 3.08Å; D353-S355 PolarHBondContact OD1-OG 2.78Å; D353-S355 VanDerWaalsContact OD1-OG 3.13Å; S355-K357 PolarHBondContact O-N 2.84Å; S355-S358 PolarHBondContact O-N 2.84Å
356	H	95.5	Very high	91.9	Very high	46 Å²	46	76 Å²	76	21%	0.213	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.2	-178.7	-172.7	-99.2	0	0	0	112.8	P275 E312 I348 G354 S358 G359	P275-H356 HydrophobicContact CB-CB 3.79Å; E312-H356 IonicContact OE1-CE1 3.28Å; E312-H356 IonicContact OE1-NE2 3.32Å; E312-H356 PolarHBondContact OE1-NE2 2.66Å; E312-H356 IonicContact OE2-CD2 3.45Å; E312-H356 PolarHBondContact OE2-CD2 3.05Å; E312-H356 IonicContact OE2-NE2 3.58Å; E312-H356 PolarHBondContact OE2-NE2 2.89Å; I348-H356 HydrophobicContact CG2-CB 4.04Å; G354-H356 VanDerWaalsContact C-N 3.25Å; G354-H356 PolarHBondContact O-N 3.15Å; H356-S358 PolarHBondContact O-N 2.98Å; H356-S358 VanDerWaalsContact O-N 3.16Å; H356-G359 PolarHBondContact O-N 2.83Å
357	K	84.5	Confident	91.4	Very high	200 Å²	200	78.5 Å²	78.5	87%	0.87	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.1	177.9	-67.7	-171.7	178.1	-177.9	0	114.1	S355	S355-K357 PolarHBondContact O-N 2.84Å
358	S	74.4	Confident	90.9	Very high	117 Å²	117	82.6 Å²	82.6	82%	0.818	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-116.2	4.9	-172.1	-53.4	0	0	0	0	112.8	S355 H356	S355-S358 PolarHBondContact O-N 2.84Å; H356-S358 PolarHBondContact O-N 2.98Å; H356-S358 VanDerWaalsContact O-N 3.16Å
359	G	56.6	Low	90.3	Very high	98 Å²	98	87.6 Å²	87.6	100%	1.01	51%	0.505	S	S	*	.			trans	-117.3	0	-169.8	0	0	0	0	0	114.9	H356	H356-G359 PolarHBondContact O-N 2.83Å

Retrieved 359 of 359 residues in 71.7 ms (Link to these results)

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