G4VLJ3_SCHMA Loading...

acid phosphatase

AlphaFold DB , UniProt , Accession G4VLJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 456 aa.

Structure Viewer

Loading PAE data...

(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	44.8	Very low	58.6	Low	232 Å²	232	125.3 Å²	125.3	100%	1.143	66%	0.66	S	S	*	*				0	7	0	-75.6	173.9	76.4	0	0	114.1
2	T	50.1	Low	58.8	Low	124 Å²	124	123.4 Å²	123.4	76%	0.761	65%	0.65	S	S	*	*			trans	-96.2	-12.6	-176.3	37	0	0	0	0	115.4
3	C	50.1	Low	58.9	Low	101 Å²	101	119.1 Å²	119.1	68%	0.682	64%	0.636	S	S	*	*	S	Bend	trans	-81.4	-19.9	177.3	-76.6	0	0	0	0	115.1
4	L	49.8	Very low	59.1	Low	139 Å²	139	117.9 Å²	117.9	73%	0.728	63%	0.628	S	S	*	*	H	α-helix	trans	-75.8	-24	-178.8	-114.3	86.4	0	0	0	113.3
5	S	65.1	Low	58.4	Low	78 Å²	78	120.1 Å²	120.1	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-72.6	-34.5	-174.5	177.1	0	0	0	0	113	V9	S5-V9 WeakPolarHBondContact O-CG2 3.34Å; S5-V9 PolarHBondContact O-N 3.39Å
6	I	67.4	Low	57.8	Low	109 Å²	109	120.3 Å²	120.3	56%	0.559	63%	0.631	S	S	*	*	H	α-helix	trans	-73.7	-33.9	-176.4	-59.9	174.1	0	0	0	111.5	K10	I6-K10 PolarHBondContact O-N 3.09Å
7	Y	57	Low	57	Low	172 Å²	172	115.4 Å²	115.4	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-71.4	-37.8	179.4	-85	-84.6	0	0	0	112.6	K10 I11	Y7-K10 PolarHBondContact O-N 3.4Å; Y7-I11 VanDerWaalsContact O-CG1 3.31Å; Y7-I11 WeakPolarHBondContact O-CG1 3.45Å; Y7-I11 PolarHBondContact O-N 2.79Å
8	L	63.4	Low	56	Low	103 Å²	103	115.8 Å²	115.8	54%	0.539	62%	0.618	S	S	.	*	H	α-helix	trans	-64.6	-40.2	176.2	-94	150.6	0	0	0	112.3	I11 L12	L8-I11 PolarHBondContact O-N 3.03Å; L8-L12 PolarHBondContact O-N 3.35Å
9	V	69.7	Low	55.2	Low	98 Å²	98	121.6 Å²	121.6	59%	0.594	63%	0.631	S	S	*	*	H	α-helix	trans	-66.3	-40.3	176.7	177.3	0	0	0	0	111.2	S5 L12 S13	S5-V9 WeakPolarHBondContact O-CG2 3.34Å; S5-V9 PolarHBondContact O-N 3.39Å; V9-L12 PolarHBondContact O-N 3.35Å; V9-S13 PolarHBondContact O-N 3.19Å; V9-S13 PolarHBondContact O-OG 3.05Å; V9-S13 VanDerWaalsContact O-OG 3.09Å
10	K	60.7	Low	54.4	Low	132 Å²	132	120.2 Å²	120.2	57%	0.574	63%	0.632	S	S	*	*	H	α-helix	trans	-65.5	-41.3	176.9	-80.4	-172.7	176	-176.7	0	112.8	I6 Y7 S13 I14	I6-K10 PolarHBondContact O-N 3.09Å; Y7-K10 PolarHBondContact O-N 3.4Å; K10-S13 WeakPolarHBondContact CA-OG 3.33Å; K10-S13 PolarHBondContact O-N 3.01Å; K10-S13 PolarHBondContact O-OG 3.45Å; K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.35Å; K10-I14 VanDerWaalsContact O-N 3.09Å
11	I	66.9	Low	53.6	Low	90 Å²	90	124.8 Å²	124.8	46%	0.462	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-43.7	177.8	-67.5	168.5	0	0	0	110.3	Y7 L8 S13 I14 F15	Y7-I11 VanDerWaalsContact O-CG1 3.31Å; Y7-I11 WeakPolarHBondContact O-CG1 3.45Å; Y7-I11 PolarHBondContact O-N 2.79Å; L8-I11 PolarHBondContact O-N 3.03Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.44Å; I11-I14 PolarHBondContact O-N 2.98Å; I11-I14 VanDerWaalsContact O-N 3.17Å; I11-F15 HydrophobicContact CG2-CD2 3.74Å; I11-F15 HydrophobicContact CG2-CE2 3.74Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 PolarHBondContact O-N 3.04Å
12	L	61.3	Low	53.1	Low	103 Å²	103	120.3 Å²	120.3	54%	0.539	62%	0.621	S	S	.	*	H	α-helix	trans	-61.9	-38.2	175.7	-101.3	122.7	0	0	0	113.1	L8 V9 I14 F15 L16	L8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 3.35Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.49Å; L12-F15 PolarHBondContact O-N 2.91Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.35Å
13	S	59.5	Low	52.5	Low	67 Å²	67	119.2 Å²	119.2	47%	0.469	62%	0.615	S	S	.	*	H	α-helix	trans	-69	-29.4	175.5	49.7	0	0	0	0	113.6	V9 K10 I11 G17	V9-S13 PolarHBondContact O-N 3.19Å; V9-S13 PolarHBondContact O-OG 3.05Å; V9-S13 VanDerWaalsContact O-OG 3.09Å; K10-S13 WeakPolarHBondContact CA-OG 3.33Å; K10-S13 PolarHBondContact O-N 3.01Å; K10-S13 PolarHBondContact O-OG 3.45Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.44Å; S13-G17 PolarHBondContact O-N 3.17Å
14	I	61.4	Low	52.2	Low	102 Å²	102	120.3 Å²	120.3	52%	0.523	62%	0.621	S	S	.	*	H	α-helix	trans	-70.8	-42.8	173.4	-66.8	165.6	0	0	0	109.7	K10 I11 L12 G17 L18	K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.35Å; K10-I14 VanDerWaalsContact O-N 3.09Å; I11-I14 PolarHBondContact O-N 2.98Å; I11-I14 VanDerWaalsContact O-N 3.17Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.49Å; I14-G17 PolarHBondContact O-N 3.09Å; I14-L18 HydrophobicContact CG2-CD1 3.63Å; I14-L18 WeakPolarHBondContact O-CD1 3.34Å; I14-L18 PolarHBondContact O-N 3.02Å
15	F	49.3	Very low	51.7	Low	151 Å²	151	120.8 Å²	120.8	66%	0.662	63%	0.625	S	S	*	*	H	α-helix	trans	-67.6	-37	177.1	-84.4	-77.2	0	0	0	113.1	I11 L12	I11-F15 HydrophobicContact CG2-CD2 3.74Å; I11-F15 HydrophobicContact CG2-CE2 3.74Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 PolarHBondContact O-N 3.04Å; L12-F15 PolarHBondContact O-N 2.91Å
16	L	48.6	Very low	50.3	Low	123 Å²	123	125.9 Å²	125.9	64%	0.644	64%	0.64	S	S	*	*	H	α-helix	trans	-71.6	-33.2	174.5	-74.3	163.1	0	0	0	112.5	L12	L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.35Å
17	G	44.2	Very low	48.8	Very low	37 Å²	37	124.7 Å²	124.7	38%	0.381	65%	0.647	S	S	.	*	H	α-helix	trans	-76.8	-23.4	178	0	0	0	0	0	114.9	S13 I14 S20	S13-G17 PolarHBondContact O-N 3.17Å; I14-G17 PolarHBondContact O-N 3.09Å; G17-S20 PolarHBondContact O-OG 2.97Å
18	L	39.7	Very low	47.8	Very low	123 Å²	123	126.5 Å²	126.5	64%	0.644	65%	0.653	S	S	*	*	H	α-helix	trans	-81	-22.8	175	-96.9	125.4	0	0	0	113	I14 S20	I14-L18 HydrophobicContact CG2-CD1 3.63Å; I14-L18 WeakPolarHBondContact O-CD1 3.34Å; I14-L18 PolarHBondContact O-N 3.02Å; L18-S20 VanDerWaalsContact C-N 3.33Å
19	W	40.9	Very low	46.4	Very low	226 Å²	226	125.8 Å²	125.8	86%	0.856	66%	0.657	S	S	*	*	H	α-helix	trans	-77.2	-18.6	175.5	-123	36.3	0	0	0	113.5
20	S	38.8	Very low	45	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	10.5	178.5	60.9	0	0	0	0	114.9	G17 L18	G17-S20 PolarHBondContact O-OG 2.97Å; L18-S20 VanDerWaalsContact C-N 3.33Å
21	R	36.9	Very low	43.8	Very low	217 Å²	217	129.9 Å²	129.9	82%	0.819	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	21.7	-178.4	-68.3	-163.1	-177	-161.7	2	115.2	P23	R21-P23 WeakPolarHBondContact O-CD 3.33Å
22	L	35.2	Very low	42.3	Very low	139 Å²	139	134.5 Å²	134.5	73%	0.728	69%	0.692	S	S	*	*			trans	-80.8	113.7	159.6	-78.7	161.5	0	0	0	107.3
23	P	37.8	Very low	41.1	Very low	100 Å²	100	136.1 Å²	136.1	65%	0.649	70%	0.701	S	S	*	*			trans	-57.6	143.7	168.4	25.4	-30.1	0	0	0	107.5	R21 N25	R21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-N25 PolarHBondContact O-N 3.46Å
24	P	42.2	Very low	39.8	Very low	124 Å²	124	137.2 Å²	137.2	81%	0.805	71%	0.708	S	S	*	*			trans	-56.8	114.9	175.6	24	-29.9	0	0	0	106.4	E26	P24-E26 PolarHBondContact O-N 3Å
25	N	40.5	Very low	38.7	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	71%	0.714	S	S	*	*			trans	-45.1	131.9	160.6	-91.4	-13.4	0	0	0	105.5	P23 A27	P23-N25 PolarHBondContact O-N 3.46Å; N25-A27 PolarHBondContact O-N 3.2Å
26	E	34.2	Very low	37.9	Very low	184 Å²	184	134.6 Å²	134.6	86%	0.86	71%	0.711	S	S	*	*			trans	-53.7	83.2	163.4	-71.8	174.3	162.1	0	0	106.7	P24 Y28	P24-E26 PolarHBondContact O-N 3Å; E26-Y28 PolarHBondContact O-N 2.87Å
27	A	37.7	Very low	37.3	Very low	85 Å²	85	133.7 Å²	133.7	70%	0.702	72%	0.716	S	S	*	*			trans	-63.1	97.6	164.4	0	0	0	0	0	102.1	N25 S29	N25-A27 PolarHBondContact O-N 3.2Å; A27-S29 PolarHBondContact O-N 3.14Å
28	Y	36	Very low	37	Very low	209 Å²	209	139 Å²	139	82%	0.82	73%	0.73	S	S	*	*			trans	-34.2	109.5	161.3	-94.7	-97.6	0	0	0	106.2	E26 L30	E26-Y28 PolarHBondContact O-N 2.87Å; Y28-L30 VanDerWaalsContact C-N 3.3Å; Y28-L30 PolarHBondContact O-N 3.31Å
29	S	32.2	Very low	37	Very low	89 Å²	89	135.2 Å²	135.2	62%	0.622	71%	0.711	S	S	*	*			trans	-59	98.1	-172.9	54.4	0	0	0	0	107.5	A27 E31	A27-S29 PolarHBondContact O-N 3.14Å; S29-E31 PolarHBondContact O-N 3.3Å
30	L	40.9	Very low	37.1	Very low	132 Å²	132	128.8 Å²	128.8	69%	0.691	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-64.3	-2.3	174.9	-81.9	162.9	0	0	0	111.8	Y28 K32	Y28-L30 VanDerWaalsContact C-N 3.3Å; Y28-L30 PolarHBondContact O-N 3.31Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.43Å
31	E	35.7	Very low	37.8	Very low	183 Å²	183	128.3 Å²	128.3	86%	0.855	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-83.1	0.4	-177.6	-127.9	172.1	-171	0	0	114.8	S29	S29-E31 PolarHBondContact O-N 3.3Å
32	K	36	Very low	39	Very low	187 Å²	187	119.1 Å²	119.1	81%	0.813	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-94.5	-2.1	174.3	-93.6	-174.4	-179.9	179.1	0	116.4	L30 S34	L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.43Å; K32-S34 PolarHBondContact O-N 3.27Å; K32-S34 VanDerWaalsContact O-N 3.1Å
33	L	36.6	Very low	40.4	Very low	138 Å²	138	113.4 Å²	113.4	72%	0.723	63%	0.628	S	S	*	*			trans	-87	56.5	165.3	-70.1	167.7	0	0	0	110.1
34	S	31.2	Very low	41.9	Very low	89 Å²	89	113.2 Å²	113.2	62%	0.622	62%	0.621	S	S	*	*			trans	-63.5	126.3	160.3	-176.2	0	0	0	0	106.9	K32 T36	K32-S34 PolarHBondContact O-N 3.27Å; K32-S34 VanDerWaalsContact O-N 3.1Å; S34-T36 PolarHBondContact O-N 2.91Å
35	P	37.4	Very low	44.1	Very low	100 Å²	100	110.7 Å²	110.7	65%	0.649	60%	0.601	S	S	*	*			trans	-63	105.2	176.7	-8.9	21.9	0	0	0	106.8	S37	P35-S37 PolarHBondContact O-N 3.04Å; P35-S37 VanDerWaalsContact O-N 3.12Å
36	T	33.4	Very low	46.6	Very low	98 Å²	98	103.8 Å²	103.8	60%	0.601	56%	0.564	S	S	*	*			trans	-52.1	125.5	166.8	46	0	0	0	0	106.6	S34 H38 N39	S34-T36 PolarHBondContact O-N 2.91Å; T36-H38 PolarHBondContact O-N 2.56Å; T36-N39 PolarHBondContact O-N 3.17Å
37	S	34.9	Very low	49.3	Very low	105 Å²	105	96.2 Å²	96.2	73%	0.734	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	13.6	-173.6	54.3	0	0	0	0	114.3	P35	P35-S37 PolarHBondContact O-N 3.04Å; P35-S37 VanDerWaalsContact O-N 3.12Å
38	H	37.9	Very low	52	Low	149 Å²	149	92.1 Å²	92.1	69%	0.69	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.9	171.6	-72.3	-64.6	0	0	0	113.9	T36 N40	T36-H38 PolarHBondContact O-N 2.56Å; H38-N40 PolarHBondContact O-N 3.24Å
39	N	40.5	Very low	54.9	Low	43 Å²	43	82.2 Å²	82.2	23%	0.23	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-70.5	-11.1	177.6	-91.2	-6.5	0	0	0	114.9	T36 S41	T36-N39 PolarHBondContact O-N 3.17Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 2.87Å
40	N	42.2	Very low	58	Low	91 Å²	91	78 Å²	78	49%	0.487	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-66.9	-30.9	-177.8	-84	-23.6	0	0	0	113.1	H38 R103	H38-N40 PolarHBondContact O-N 3.24Å; N40-R103 VanDerWaalsContact OD1-CZ 3.3Å; N40-R103 PolarHBondContact OD1-NH1 3.47Å; N40-R103 PolarHBondContact OD1-NH2 3.44Å
41	S	54.7	Low	60.7	Low	83 Å²	83	71.8 Å²	71.8	58%	0.58	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-96.1	-5.9	-173.1	69.5	0	0	0	0	115.3	N39	N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 2.87Å
42	V	61.4	Low	63.7	Low	24 Å²	24	63.3 Å²	63.3	15%	0.145	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-33.5	-174.5	179.2	0	0	0	0	111.5
43	N	65	Low	66.7	Low	19 Å²	19	54.4 Å²	54.4	10%	0.102	32%	0.316	C	S	.	.	S	Bend	trans	-93.8	-17.5	-177.1	-64.3	-45.4	0	0	0	113.1	N45 L46 K100 R103	N43-N45 PolarHBondContact O-N 2.58Å; N43-N45 VanDerWaalsContact O-N 3.13Å; N43-L46 PolarHBondContact O-N 3.33Å; N43-L46 VanDerWaalsContact O-N 3.12Å; N43-K100 PolarHBondContact ND2-O 2.85Å; N43-R103 HydrophobicContact CB-CB 4.14Å
44	D	68.7	Low	69.7	Low	95 Å²	95	48.7 Å²	48.7	51%	0.508	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	115.1	173.6	-63.5	-13.1	0	0	0	107.4
45	N	88.4	Confident	72.9	Confident	72 Å²	72	44.5 Å²	44.5	39%	0.385	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	2.9	-175	-48.3	-66.5	0	0	0	117.1	N43 K47 H336 G337	N43-N45 PolarHBondContact O-N 2.58Å; N43-N45 VanDerWaalsContact O-N 3.13Å; N45-K47 PolarHBondContact O-N 3.35Å; N45-H336 CarbonylContact O-C 3.48Å; N45-H336 VanDerWaalsContact O-CA 3.25Å; N45-H336 WeakPolarHBondContact O-CA 3.4Å; N45-G337 WeakPolarHBondContact CA-O 3.46Å; N45-G337 WeakPolarHBondContact CB-O 3.46Å; N45-G337 PolarHBondContact O-N 3.09Å; N45-G337 VanDerWaalsContact O-O 3.13Å
46	L	93.3	Very high	75.8	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.8	175	-175.4	66.1	0	0	0	110.3	N43 L49 Y101 F104 E334	N43-L46 PolarHBondContact O-N 3.33Å; N43-L46 VanDerWaalsContact O-N 3.12Å; L46-L49 HydrophobicContact CD1-CD2 3.82Å; L46-L49 HydrophobicContact CD1-CG 4.4Å; L46-L49 HydrophobicContact CD2-CD1 4.14Å; L46-L49 HydrophobicContact CD2-CD2 4.06Å; L46-L49 HydrophobicContact CD2-CG 4.11Å; L46-L49 HydrophobicContact CG-CD2 4.47Å; L46-Y101 HydrophobicContact CD2-CD1 3.75Å; L46-Y101 HydrophobicContact CD2-CE1 4.08Å; L46-F104 HydrophobicContact CB-CD2 4.1Å; L46-F104 HydrophobicContact CB-CE2 4.36Å; L46-F104 HydrophobicContact CD2-CB 3.96Å; L46-F104 HydrophobicContact CD2-CD1 3.82Å; L46-F104 HydrophobicContact CD2-CD2 3.81Å; L46-F104 HydrophobicContact CD2-CE1 4.3Å; L46-F104 HydrophobicContact CD2-CE2 4.29Å; L46-F104 HydrophobicContact CD2-CG 3.56Å; L46-F104 HydrophobicContact CG-CD1 4.45Å; L46-F104 HydrophobicContact CG-CD2 3.88Å; L46-F104 HydrophobicContact CG-CE2 3.97Å; L46-F104 HydrophobicContact CG-CG 4.15Å; L46-F104 HydrophobicContact CG-CZ 4.31Å; L46-F104 VanDerWaalsContact O-CE2 3.31Å; L46-F104 WeakPolarHBondContact O-CE2 3.27Å; L46-E334 HydrophobicContact CD1-CB 3.91Å
47	K	91.9	Very high	78.9	Confident	25 Å²	25	35.2 Å²	35.2	11%	0.109	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-31.9	-178.3	-58.5	-56.7	174.7	-173.7	0	113.4	N45 F104 I281 T297 L335 G337 P338 Y347	N45-K47 PolarHBondContact O-N 3.35Å; K47-F104 VanDerWaalsContact C-CZ 3.5Å; K47-F104 WeakPolarHBondContact O-CZ 3.39Å; K47-I281 HydrophobicContact CB-CG2 4.2Å; K47-T297 VanDerWaalsContact O-O 3.12Å; K47-L335 HydrophobicContact CB-CD2 4.11Å; K47-L335 HydrophobicContact CB-CG 4.22Å; K47-L335 PolarHBondContact N-O 3.11Å; K47-G337 WeakPolarHBondContact CE-O 3.01Å; K47-P338 WeakPolarHBondContact CE-O 3.08Å; K47-P338 PolarHBondContact NZ-O 2.96Å; K47-Y347 HydrophobicContact CG-CE1 4.34Å
48	H	93.8	Very high	81.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	153.1	-174.2	174.5	64.5	0	0	0	112.8	H50 I281 H299 L335	H48-H50 AromaticContact CE1-CD2 3.46Å; H48-H50 PolarHBondContact CE1-CD2 2.99Å; H48-H50 VanDerWaalsContact CE1-CD2 3.46Å; H48-H50 AromaticContact CE1-NE2 3.87Å; H48-H50 AromaticContact NE2-CD2 2.95Å; H48-H50 PolarHBondContact NE2-CD2 2.6Å; H48-H50 AromaticContact NE2-CG 3.86Å; H48-H50 AromaticContact NE2-NE2 3.38Å; H48-H50 PolarHBondContact NE2-NE2 2.74Å; H48-I281 HydrophobicContact CB-CD1 3.42Å; H48-I281 VanDerWaalsContact CB-CD1 3.42Å; H48-I281 VanDerWaalsContact CG-CD1 3.43Å; H48-H299 AromaticContact CE1-CD2 3.63Å; H48-H299 AromaticContact CE1-CE1 3.8Å; H48-H299 AromaticContact CE1-NE2 3.15Å; H48-H299 PolarHBondContact CE1-NE2 3.01Å; H48-H299 AromaticContact ND1-CD2 3.61Å; H48-H299 AromaticContact ND1-CE1 3.52Å; H48-H299 AromaticContact ND1-ND1 3.98Å; H48-H299 AromaticContact ND1-NE2 3.28Å; H48-H299 PolarHBondContact ND1-NE2 2.83Å; H48-H299 PolarHBondContact ND1-O 3.36Å; H48-L335 HydrophobicContact CB-CB 4.02Å; H48-L335 HydrophobicContact CB-CD2 4.29Å; H48-L335 PolarHBondContact N-O 2.88Å; H48-L335 PolarHBondContact O-N 3.1Å
49	L	96.3	Very high	84.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.6	176.4	-64	176.8	0	0	0	111.3	L46 I51 Y101 F104 H299 I300 M301 I332 L333 E334	L46-L49 HydrophobicContact CD1-CD2 3.82Å; L46-L49 HydrophobicContact CD1-CG 4.4Å; L46-L49 HydrophobicContact CD2-CD1 4.14Å; L46-L49 HydrophobicContact CD2-CD2 4.06Å; L46-L49 HydrophobicContact CD2-CG 4.11Å; L46-L49 HydrophobicContact CG-CD2 4.47Å; L49-I51 HydrophobicContact CB-CD1 4.49Å; L49-I51 HydrophobicContact CB-CG1 4.33Å; L49-I51 HydrophobicContact CD1-CD1 4.46Å; L49-Y101 HydrophobicContact CD1-CD1 3.59Å; L49-Y101 HydrophobicContact CD1-CD2 3.69Å; L49-Y101 HydrophobicContact CD1-CE1 3.75Å; L49-Y101 HydrophobicContact CD1-CE2 3.85Å; L49-Y101 HydrophobicContact CD1-CG 3.55Å; L49-Y101 HydrophobicContact CD2-CD1 4.42Å; L49-Y101 HydrophobicContact CD2-CE1 3.84Å; L49-Y101 HydrophobicContact CG-CE1 4.47Å; L49-F104 HydrophobicContact CD1-CD1 4.01Å; L49-F104 HydrophobicContact CD1-CE1 4.23Å; L49-F104 HydrophobicContact CG-CD1 4.36Å; L49-F104 HydrophobicContact CG-CE1 4.12Å; L49-H299 PolarHBondContact N-O 3.24Å; L49-I300 HydrophobicContact CB-CB 4.45Å; L49-I300 HydrophobicContact CB-CG1 4.25Å; L49-I300 HydrophobicContact CB-CG2 4.05Å; L49-I300 HydrophobicContact CD1-CD1 3.9Å; L49-I300 HydrophobicContact CD1-CG1 3.93Å; L49-I300 HydrophobicContact CD1-CG2 4.48Å; L49-I300 HydrophobicContact CG-CG1 4.48Å; L49-M301 PolarHBondContact O-N 2.9Å; L49-I332 HydrophobicContact CD2-CG2 4.06Å; L49-L333 WeakPolarHBondContact CA-O 3.09Å; L49-E334 HydrophobicContact CD2-CB 3.95Å; L49-E334 HydrophobicContact CD2-CG 3.65Å
50	H	97.5	Very high	87.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.3	157	-92.4	-158.6	0	0	0	108.6	H48 F270 F274 H277 M301 Y303 I332 L333	H48-H50 AromaticContact CE1-CD2 3.46Å; H48-H50 PolarHBondContact CE1-CD2 2.99Å; H48-H50 VanDerWaalsContact CE1-CD2 3.46Å; H48-H50 AromaticContact CE1-NE2 3.87Å; H48-H50 AromaticContact NE2-CD2 2.95Å; H48-H50 PolarHBondContact NE2-CD2 2.6Å; H48-H50 AromaticContact NE2-CG 3.86Å; H48-H50 AromaticContact NE2-NE2 3.38Å; H48-H50 PolarHBondContact NE2-NE2 2.74Å; H50-F270 AromaticContact ND1-CZ 3.77Å; H50-F274 HydrophobicContact CB-CD2 4.44Å; H50-F274 AromaticContact CE1-CD2 3.9Å; H50-F274 AromaticContact CG-CD2 3.98Å; H50-F274 AromaticContact ND1-CD2 3.42Å; H50-F274 WeakPolarHBondContact ND1-CD2 3.29Å; H50-H277 AromaticContact NE2-CE1 3.97Å; H50-H277 AromaticContact NE2-ND1 3.33Å; H50-H277 PolarHBondContact NE2-ND1 2.85Å; H50-M301 VanDerWaalsContact CD2-CB 3.43Å; H50-M301 WeakPolarHBondContact CD2-CB 3.28Å; H50-Y303 HydrophobicContact CB-CE2 4.46Å; H50-Y303 PolarHBondContact CE1-OH 2.83Å; H50-Y303 AromaticContact CG-CE2 3.91Å; H50-Y303 AromaticContact ND1-CE2 3.89Å; H50-Y303 PolarHBondContact NE2-OH 2.87Å; H50-I332 CarbonylContact O-C 3.6Å; H50-I332 WeakPolarHBondContact O-CA 3.48Å; H50-L333 HydrophobicContact CB-CB 4.16Å; H50-L333 HydrophobicContact CB-CD1 4.41Å; H50-L333 PolarHBondContact N-O 2.95Å; H50-L333 PolarHBondContact O-N 3.48Å
51	I	98.5	Very high	90	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	-179.8	-57	171.1	0	0	0	107.5	L49 F53 L97 I300 M301 I302 Y303 I332	L49-I51 HydrophobicContact CB-CD1 4.49Å; L49-I51 HydrophobicContact CB-CG1 4.33Å; L49-I51 HydrophobicContact CD1-CD1 4.46Å; I51-F53 HydrophobicContact CG2-CD1 4.22Å; I51-L97 HydrophobicContact CD1-CD1 4.3Å; I51-L97 HydrophobicContact CD1-CD2 3.88Å; I51-L97 HydrophobicContact CG2-CD1 4.34Å; I51-I300 HydrophobicContact CD1-CG2 3.65Å; I51-I300 HydrophobicContact CG1-CG2 4.36Å; I51-M301 PolarHBondContact N-O 3.2Å; I51-I302 HydrophobicContact CB-CG1 4.34Å; I51-I302 HydrophobicContact CD1-CG1 4.34Å; I51-I302 CarbonylContact O-C 3.6Å; I51-I302 WeakPolarHBondContact O-CA 3.39Å; I51-Y303 PolarHBondContact O-N 3.06Å; I51-I332 HydrophobicContact CB-CG1 4.49Å; I51-I332 HydrophobicContact CG1-CB 4.48Å; I51-I332 HydrophobicContact CG1-CG1 4.13Å; I51-I332 HydrophobicContact CG1-CG2 3.9Å; I51-I332 HydrophobicContact CG2-CG1 4.08Å
52	L	98.8	Very high	91.9	Very high	6 Å²	6	19 Å²	19	3%	0.031	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.9	171.7	-175.3	147.4	0	0	0	109.4	L166 F270 Y303 A305 D309 V310 I313 S330 V331	L52-L166 HydrophobicContact CD1-CD2 4.44Å; L52-F270 HydrophobicContact CD1-CE2 4.28Å; L52-Y303 WeakPolarHBondContact CA-O 3.44Å; L52-A305 HydrophobicContact CD1-CB 4.44Å; L52-A305 HydrophobicContact CD2-CB 4.41Å; L52-A305 HydrophobicContact CG-CB 4.35Å; L52-D309 HydrophobicContact CD1-CB 4.15Å; L52-D309 HydrophobicContact CD2-CB 3.85Å; L52-V310 HydrophobicContact CD2-CG2 3.66Å; L52-I313 HydrophobicContact CD1-CG1 4.32Å; L52-S330 CarbonylContact O-C 3.57Å; L52-S330 VanDerWaalsContact O-CA 3.3Å; L52-S330 WeakPolarHBondContact O-CA 3.38Å; L52-V331 PolarHBondContact N-O 3.5Å; L52-V331 PolarHBondContact O-N 2.88Å
53	F	98.9	Very high	93.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.4	177.9	55.3	-115.4	0	0	0	113.2	I51 H90 L93 N131 I302 Y303 S304 A305 S329 S330	I51-F53 HydrophobicContact CG2-CD1 4.22Å; F53-H90 AromaticContact CD2-CE1 3.22Å; F53-H90 WeakPolarHBondContact CD2-CE1 3.49Å; F53-H90 AromaticContact CD2-ND1 3.87Å; F53-H90 AromaticContact CE2-CE1 3.39Å; F53-H90 WeakPolarHBondContact CE2-CE1 3.38Å; F53-H90 AromaticContact CE2-ND1 3.64Å; F53-H90 AromaticContact CG-CE1 3.87Å; F53-L93 HydrophobicContact CB-CD2 4.23Å; F53-L93 HydrophobicContact CD1-CD2 4.19Å; F53-L93 HydrophobicContact CG-CD2 4.26Å; F53-N131 HydrophobicContact CE1-CB 4.27Å; F53-N131 HydrophobicContact CZ-CB 3.99Å; F53-I302 HydrophobicContact CD1-CG2 4.17Å; F53-I302 HydrophobicContact CE1-CG2 3.32Å; F53-I302 HydrophobicContact CZ-CG2 3.86Å; F53-Y303 PolarHBondContact N-O 2.98Å; F53-S304 VanDerWaalsContact CE2-OG 3.26Å; F53-S304 WeakPolarHBondContact CE2-OG 3.47Å; F53-A305 CarbonylContact O-C 3.55Å; F53-A305 PolarHBondContact O-N 2.87Å; F53-S329 VanDerWaalsContact CA-O 3.27Å; F53-S329 WeakPolarHBondContact CA-O 3.31Å; F53-S330 WeakPolarHBondContact CB-OG 3.27Å
54	R	98.7	Very high	94.9	Very high	18 Å²	18	20.4 Å²	20.4	7%	0.068	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.4	163.2	-176.6	-171.9	-171.2	-153	-1.2	108.5	H90 D307 V310 I325 N326 Y327 A328 S329	R54-H90 PolarHBondContact O-CE1 2.83Å; R54-H90 VanDerWaalsContact O-CE1 3.28Å; R54-H90 PolarHBondContact O-NE2 2.82Å; R54-H90 VanDerWaalsContact O-NE2 3.13Å; R54-D307 HydrophobicContact CG-CB 4.24Å; R54-D307 IonicContact CZ-OD2 3.73Å; R54-D307 IonicContact NE-OD2 3.79Å; R54-D307 PolarHBondContact NE-OD2 3.47Å; R54-D307 IonicContact NH2-OD2 2.69Å; R54-D307 PolarHBondContact NH2-OD2 3.19Å; R54-V310 HydrophobicContact CB-CG2 4.24Å; R54-I325 HydrophobicContact CB-CG2 4.35Å; R54-I325 VanDerWaalsContact CZ-O 3.25Å; R54-I325 PolarHBondContact NH1-O 3.06Å; R54-N326 WeakPolarHBondContact CD-O 2.95Å; R54-Y327 VanDerWaalsContact CZ-CD1 3.41Å; R54-Y327 VanDerWaalsContact CZ-CE1 3.45Å; R54-Y327 VanDerWaalsContact NH1-CD1 3.26Å; R54-Y327 VanDerWaalsContact NH2-CE1 3.35Å; R54-A328 WeakPolarHBondContact O-CA 3.45Å; R54-S329 PolarHBondContact N-O 2.84Å
55	H	98.8	Very high	96.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.105	C	C	.	.			trans	-51.3	167	167.2	62.8	68.5	0	0	0	113.6	R58 H90 R123 T124 S127 A305 H306 A328	H55-R58 PolarHBondContact CE1-NE 3.45Å; H55-R58 VanDerWaalsContact CE1-NE 3.31Å; H55-H90 WeakPolarHBondContact CA-NE2 3.46Å; H55-R123 HydrophobicContact CB-CG 4.45Å; H55-R123 PolarHBondContact CD2-NE 3.46Å; H55-R123 PolarHBondContact NE2-NE 3.28Å; H55-R123 VanDerWaalsContact NE2-NE 3.16Å; H55-T124 HydrophobicContact CB-CG2 4.02Å; H55-S127 WeakPolarHBondContact CB-OG 3.41Å; H55-A305 PolarHBondContact N-O 2.69Å; H55-H306 AromaticContact CD2-ND1 3.59Å; H55-H306 AromaticContact NE2-ND1 3.84Å; H55-A328 PolarHBondContact O-N 3.48Å
56	G	98.6	Very high	96.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.			trans	-74.9	-177.9	178.9	0	0	0	0	0	112.4	H90 S127 Y327	G56-H90 PolarHBondContact N-CD2 3.29Å; G56-H90 PolarHBondContact N-NE2 3.23Å; G56-S127 PolarHBondContact N-OG 2.96Å; G56-S127 VanDerWaalsContact N-OG 3.12Å; G56-Y327 VanDerWaalsContact C-CD1 3.49Å; G56-Y327 VanDerWaalsContact O-CD1 3.24Å; G56-Y327 WeakPolarHBondContact O-CD1 3.15Å
57	D	98.5	Very high	96.5	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	11%	0.114	C	C	.	.			trans	-51.2	140	172.1	-179.3	85.4	0	0	0	112.6	L82 T83 K85 G86 A227 H228 Y327	D57-L82 VanDerWaalsContact O-CD1 3.31Å; D57-L82 WeakPolarHBondContact O-CD1 3.23Å; D57-T83 PolarHBondContact O-N 3.12Å; D57-T83 VanDerWaalsContact O-N 3.07Å; D57-T83 PolarHBondContact O-OG1 2.95Å; D57-T83 PolarHBondContact OD2-OG1 3.23Å; D57-K85 HydrophobicContact CB-CB 4.19Å; D57-G86 VanDerWaalsContact N-CA 3.32Å; D57-G86 WeakPolarHBondContact O-CA 3.13Å; D57-A227 WeakPolarHBondContact OD1-CB 3.23Å; D57-H228 IonicContact OD1-CE1 3.05Å; D57-H228 IonicContact OD2-CE1 3.95Å; D57-H228 PolarHBondContact OD2-CE1 3.04Å; D57-H228 IonicContact OD2-NE2 3.73Å; D57-H228 PolarHBondContact OD2-NE2 3.02Å; D57-Y327 HydrophobicContact CB-CD2 3.85Å; D57-Y327 HydrophobicContact CB-CE2 4.09Å; D57-Y327 HydrophobicContact CB-CG 4.15Å; D57-Y327 WeakPolarHBondContact OD1-CE2 3.21Å
58	R	98.1	Very high	96.6	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.026	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-143.3	162.7	-173.5	56.7	160.8	172.5	75	1.6	111	H55 M81 D220 C224 Y327	H55-R58 PolarHBondContact CE1-NE 3.45Å; H55-R58 VanDerWaalsContact CE1-NE 3.31Å; R58-M81 CarbonylContact C-O 3.5Å; R58-M81 WeakPolarHBondContact CA-O 3.2Å; R58-M81 WeakPolarHBondContact CB-O 3.24Å; R58-D220 IonicContact CZ-OD1 3.92Å; R58-D220 VanDerWaalsContact CZ-OD1 3.28Å; R58-D220 IonicContact CZ-OD2 2.85Å; R58-D220 IonicContact NH1-OD1 3.12Å; R58-D220 PolarHBondContact NH1-OD1 2.96Å; R58-D220 IonicContact NH1-OD2 2.64Å; R58-D220 PolarHBondContact NH1-OD2 3.39Å; R58-D220 IonicContact NH2-OD1 2.87Å; R58-D220 PolarHBondContact NH2-OD1 2.99Å; R58-D220 IonicContact NH2-OD2 3.7Å; R58-C224 PolarHBondContact O-SG 3.44Å; R58-Y327 HydrophobicContact CG-CE1 3.94Å
59	S	97.9	Very high	96.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.153	C	C	.	.			trans	-66.7	161	164	58.8	0	0	0	0	111.4	G78 F79 G80 M81	S59-G78 WeakPolarHBondContact CB-O 3.33Å; S59-G78 PolarHBondContact OG-O 3.17Å; S59-F79 WeakPolarHBondContact OG-CA 3.45Å; S59-G80 PolarHBondContact OG-N 3.14Å; S59-M81 PolarHBondContact N-O 3.38Å; S59-M81 PolarHBondContact OG-N 3.18Å; S59-M81 VanDerWaalsContact OG-N 3.1Å; S59-M81 PolarHBondContact OG-O 3.12Å
60	P	97.4	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.			trans	-55.5	151.3	175.7	-20.7	28	0	0	0	112.1	W75 F79 G80 F221 C224	P60-W75 HydrophobicContact CG-CE3 4.3Å; P60-W75 HydrophobicContact CG-CH2 3.75Å; P60-W75 HydrophobicContact CG-CZ2 4.15Å; P60-W75 HydrophobicContact CG-CZ3 3.82Å; P60-F79 HydrophobicContact CB-CD1 4.21Å; P60-F79 CarbonylContact O-C 3.51Å; P60-F79 WeakPolarHBondContact O-CA 3.34Å; P60-F79 VanDerWaalsContact O-CB 3.27Å; P60-F79 WeakPolarHBondContact O-CB 3.28Å; P60-F79 VanDerWaalsContact O-CD1 3.32Å; P60-F79 WeakPolarHBondContact O-CD1 3.35Å; P60-G80 PolarHBondContact O-N 3.04Å; P60-F221 HydrophobicContact CB-CB 4.49Å; P60-F221 HydrophobicContact CB-CD2 3.43Å; P60-F221 VanDerWaalsContact CB-CD2 3.43Å; P60-F221 HydrophobicContact CB-CE2 3.92Å; P60-F221 HydrophobicContact CB-CG 4.23Å; P60-F221 HydrophobicContact CG-CD2 3.57Å; P60-F221 HydrophobicContact CG-CE2 3.77Å; P60-F221 HydrophobicContact CG-CG 4.17Å; P60-C224 HydrophobicContact CB-CB 4.49Å; P60-C224 HydrophobicContact CG-CB 3.67Å
61	I	95.5	Very high	95.8	Very high	74 Å²	74	39.9 Å²	39.9	38%	0.379	21%	0.21	S	C	.	.	S	Bend	trans	-80.7	-37.1	174.7	-64.4	168	0	0	0	111.1	D220	I61-D220 PolarHBondContact N-OD2 3.34Å
62	V	94.1	Very high	95.5	Very high	48 Å²	48	41.4 Å²	41.4	29%	0.291	22%	0.22	S	C	.	.	S	Bend	trans	-102.9	132.1	-179.1	179.8	0	0	0	0	108.9	I64 W216 F221	V62-I64 HydrophobicContact CG1-CG1 4.08Å; V62-W216 HydrophobicContact CG2-CH2 4.24Å; V62-F221 WeakPolarHBondContact O-CD2 3.31Å; V62-F221 WeakPolarHBondContact O-CE2 3.47Å
63	N	94.2	Very high	95.3	Very high	72 Å²	72	46.2 Å²	46.2	39%	0.385	26%	0.255	S	S	.	.			trans	-80.6	127.9	170.9	-175.6	14.1	0	0	0	110.1	F79	N63-F79 HydrophobicContact CB-CD1 4.35Å; N63-F79 HydrophobicContact CB-CD2 4.1Å; N63-F79 HydrophobicContact CB-CE1 3.89Å; N63-F79 HydrophobicContact CB-CE2 3.6Å; N63-F79 HydrophobicContact CB-CG 4.46Å; N63-F79 HydrophobicContact CB-CZ 3.49Å; N63-F79 VanDerWaalsContact CB-CZ 3.49Å; N63-F79 WeakPolarHBondContact OD1-CZ 3.49Å
64	I	95.8	Very high	95	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.			trans	-125.3	81.6	177.3	-48.4	-177.2	0	0	0	109.8	V62 A66 I67 L68 A205 I207 I218 F221	V62-I64 HydrophobicContact CG1-CG1 4.08Å; I64-A66 PolarHBondContact O-N 3.03Å; I64-A66 VanDerWaalsContact O-N 3.11Å; I64-I67 HydrophobicContact CB-CB 4.38Å; I64-I67 HydrophobicContact CB-CD1 4.22Å; I64-I67 HydrophobicContact CB-CG1 4.27Å; I64-I67 HydrophobicContact CD1-CD1 4.15Å; I64-I67 HydrophobicContact CG2-CB 4.13Å; I64-I67 HydrophobicContact CG2-CD1 3.7Å; I64-I67 HydrophobicContact CG2-CG1 3.58Å; I64-I67 PolarHBondContact O-N 3.12Å; I64-L68 PolarHBondContact O-N 3.27Å; I64-L68 VanDerWaalsContact O-N 3.13Å; I64-A205 HydrophobicContact CG2-CB 4.33Å; I64-A205 WeakPolarHBondContact CG2-O 3.26Å; I64-I207 HydrophobicContact CG1-CG2 4.32Å; I64-I207 HydrophobicContact CG2-CG2 4.03Å; I64-I218 HydrophobicContact CD1-CG1 3.99Å; I64-F221 HydrophobicContact CB-CD2 4.12Å; I64-F221 HydrophobicContact CB-CE1 4.49Å; I64-F221 HydrophobicContact CB-CE2 4.1Å; I64-F221 HydrophobicContact CB-CG 4.33Å; I64-F221 HydrophobicContact CB-CZ 4.28Å; I64-F221 HydrophobicContact CD1-CB 3.89Å; I64-F221 HydrophobicContact CD1-CD2 4.17Å; I64-F221 HydrophobicContact CD1-CG 4.01Å; I64-F221 HydrophobicContact CG1-CD2 3.88Å; I64-F221 HydrophobicContact CG1-CE2 4.26Å; I64-F221 HydrophobicContact CG1-CG 4.17Å
65	P	94.2	Very high	94.8	Very high	71 Å²	71	47.8 Å²	47.8	46%	0.461	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.4	-174.4	-26	35.3	0	0	0	115	I67 L68 H69	P65-I67 VanDerWaalsContact C-N 3.28Å; P65-L68 CarbonylContact O-C 3.47Å; P65-H69 PolarHBondContact O-N 2.88Å
66	A	94.3	Very high	94.5	Very high	65 Å²	65	52.6 Å²	52.6	54%	0.537	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.9	176	0	0	0	0	0	112.8	I64 V204 A205	I64-A66 PolarHBondContact O-N 3.03Å; I64-A66 VanDerWaalsContact O-N 3.11Å; A66-V204 WeakPolarHBondContact CB-O 3.41Å; A66-A205 WeakPolarHBondContact CB-O 3.24Å
67	I	95	Very high	94.3	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.067	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-45.7	175.8	-60.7	-175.4	0	0	0	110.1	I64 P65 A205 I218 F221 I222 M225 P233 W235	I64-I67 HydrophobicContact CB-CB 4.38Å; I64-I67 HydrophobicContact CB-CD1 4.22Å; I64-I67 HydrophobicContact CB-CG1 4.27Å; I64-I67 HydrophobicContact CD1-CD1 4.15Å; I64-I67 HydrophobicContact CG2-CB 4.13Å; I64-I67 HydrophobicContact CG2-CD1 3.7Å; I64-I67 HydrophobicContact CG2-CG1 3.58Å; I64-I67 PolarHBondContact O-N 3.12Å; P65-I67 VanDerWaalsContact C-N 3.28Å; I67-A205 HydrophobicContact CD1-CB 4.47Å; I67-I218 HydrophobicContact CD1-CG2 4.05Å; I67-F221 HydrophobicContact CB-CD1 4.17Å; I67-F221 HydrophobicContact CB-CE1 3.9Å; I67-F221 HydrophobicContact CD1-CD1 4.4Å; I67-F221 HydrophobicContact CG2-CD1 3.79Å; I67-F221 HydrophobicContact CG2-CE1 3.69Å; I67-I222 HydrophobicContact CD1-CD1 4.49Å; I67-I222 HydrophobicContact CG2-CD1 3.85Å; I67-M225 HydrophobicContact CG2-CE 4.36Å; I67-M225 HydrophobicContact CG2-SD 3.71Å; I67-P233 HydrophobicContact CG2-CG 3.9Å; I67-W235 HydrophobicContact CD1-CH2 4.14Å; I67-W235 HydrophobicContact CD1-CZ2 4.12Å; I67-W235 HydrophobicContact CG1-CH2 4.49Å; I67-W235 HydrophobicContact CG1-CZ2 3.96Å; I67-W235 HydrophobicContact CG2-CZ2 4.34Å
68	L	93.2	Very high	94.1	Very high	34 Å²	34	58.4 Å²	58.4	18%	0.178	34%	0.338	C	S	.	.			trans	-138.1	106.8	179.4	-174.1	67.6	0	0	0	111.1	I64 P65 K70 W75 F221 M225 I230	I64-L68 PolarHBondContact O-N 3.27Å; I64-L68 VanDerWaalsContact O-N 3.13Å; P65-L68 CarbonylContact O-C 3.47Å; L68-K70 WeakPolarHBondContact CG-O 3.11Å; L68-W75 HydrophobicContact CD2-CE3 4.37Å; L68-W75 HydrophobicContact CD2-CH2 3.84Å; L68-W75 HydrophobicContact CD2-CZ3 3.46Å; L68-W75 VanDerWaalsContact CD2-CZ3 3.46Å; L68-F221 HydrophobicContact CB-CE1 3.77Å; L68-F221 HydrophobicContact CB-CZ 3.85Å; L68-M225 HydrophobicContact CB-CE 4.42Å; L68-M225 HydrophobicContact CD1-CE 4.35Å; L68-I230 HydrophobicContact CD1-CG2 4.07Å; L68-I230 HydrophobicContact CD2-CG2 4.24Å
69	H	90	Very high	94.1	Very high	160 Å²	160	61.2 Å²	61.2	74%	0.741	35%	0.35	S	S	*	.	S	Bend	trans	-72.3	-35.6	-175	-174.6	73	0	0	0	113.6	P65	P65-H69 PolarHBondContact O-N 2.88Å
70	K	90.8	Very high	94	Very high	167 Å²	167	61.5 Å²	61.5	73%	0.726	35%	0.354	S	S	*	.	S	Bend	trans	-111.9	127.4	-178.1	-67.6	-174.3	179.9	178.9	0	110.7	L68	L68-K70 WeakPolarHBondContact CG-O 3.11Å
71	I	90.1	Very high	94.1	Very high	97 Å²	97	63.4 Å²	63.4	50%	0.497	36%	0.363	S	S	.	.			trans	-69.2	124.7	174.7	-58	176.7	0	0	0	108.5	W75 F79	I71-W75 HydrophobicContact CG2-CB 3.89Å; I71-F79 HydrophobicContact CD1-CE2 3.63Å; I71-F79 HydrophobicContact CD1-CZ 3.86Å; I71-F79 HydrophobicContact CG1-CE2 4.36Å; I71-F79 HydrophobicContact CG1-CZ 4.08Å
72	P	92.9	Very high	94.2	Very high	32 Å²	32	59.9 Å²	59.9	21%	0.208	35%	0.345	C	S	.	.			trans	-71.6	157.1	178.1	33.2	-38.2	0	0	0	110.9	A74 W75 I230	P72-A74 PolarHBondContact O-N 3.12Å; P72-W75 HydrophobicContact CG-CB 4.2Å; P72-W75 HydrophobicContact CG-CD2 3.39Å; P72-W75 HydrophobicContact CG-CE3 3.5Å; P72-W75 VanDerWaalsContact CG-CE3 3.5Å; P72-W75 HydrophobicContact CG-CG 3.76Å; P72-W75 HydrophobicContact CG-CH2 4.42Å; P72-W75 HydrophobicContact CG-CZ2 4.36Å; P72-W75 HydrophobicContact CG-CZ3 4.03Å; P72-W75 PolarHBondContact O-N 3.46Å; P72-I230 HydrophobicContact CB-CD1 4.18Å; P72-I230 HydrophobicContact CG-CD1 3.64Å
73	S	93.6	Very high	94.4	Very high	108 Å²	108	57.9 Å²	57.9	76%	0.755	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.6	177	54.1	0	0	0	0	113.3	W75 S76	S73-W75 PolarHBondContact O-N 3.46Å; S73-W75 VanDerWaalsContact O-N 3.14Å; S73-S76 WeakPolarHBondContact O-CB 3.25Å; S73-S76 PolarHBondContact O-N 3.47Å; S73-S76 PolarHBondContact O-OG 2.75Å
74	A	93.1	Very high	94.6	Very high	44 Å²	44	60.1 Å²	60.1	36%	0.364	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.8	175.4	0	0	0	0	0	113.2	P72	P72-A74 PolarHBondContact O-N 3.12Å
75	W	95.3	Very high	94.7	Very high	6 Å²	6	64 Å²	64	2%	0.023	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-112	27.8	178	-52	-20.2	0	0	0	111.6	P60 L68 I71 P72 S73 Q77 G78 F221 C224 M225 H228 I230	P60-W75 HydrophobicContact CG-CE3 4.3Å; P60-W75 HydrophobicContact CG-CH2 3.75Å; P60-W75 HydrophobicContact CG-CZ2 4.15Å; P60-W75 HydrophobicContact CG-CZ3 3.82Å; L68-W75 HydrophobicContact CD2-CE3 4.37Å; L68-W75 HydrophobicContact CD2-CH2 3.84Å; L68-W75 HydrophobicContact CD2-CZ3 3.46Å; L68-W75 VanDerWaalsContact CD2-CZ3 3.46Å; I71-W75 HydrophobicContact CG2-CB 3.89Å; P72-W75 HydrophobicContact CG-CB 4.2Å; P72-W75 HydrophobicContact CG-CD2 3.39Å; P72-W75 HydrophobicContact CG-CE3 3.5Å; P72-W75 VanDerWaalsContact CG-CE3 3.5Å; P72-W75 HydrophobicContact CG-CG 3.76Å; P72-W75 HydrophobicContact CG-CH2 4.42Å; P72-W75 HydrophobicContact CG-CZ2 4.36Å; P72-W75 HydrophobicContact CG-CZ3 4.03Å; P72-W75 PolarHBondContact O-N 3.46Å; S73-W75 PolarHBondContact O-N 3.46Å; S73-W75 VanDerWaalsContact O-N 3.14Å; W75-Q77 PolarHBondContact O-N 3.23Å; W75-Q77 VanDerWaalsContact O-N 3.16Å; W75-G78 PolarHBondContact O-N 2.86Å; W75-F221 HydrophobicContact CZ3-CZ 4.4Å; W75-C224 HydrophobicContact CZ2-CB 4.11Å; W75-M225 HydrophobicContact CH2-CG 3.77Å; W75-M225 HydrophobicContact CZ2-CG 4.39Å; W75-H228 AromaticContact NE1-CD2 3.74Å; W75-H228 AromaticContact NE1-CE1 3.4Å; W75-H228 PolarHBondContact NE1-CE1 3.34Å; W75-H228 AromaticContact NE1-CG 3.51Å; W75-H228 AromaticContact NE1-ND1 3.28Å; W75-H228 PolarHBondContact NE1-ND1 3.08Å; W75-H228 AromaticContact NE1-NE2 3.65Å; W75-I230 HydrophobicContact CH2-CD1 3.54Å; W75-I230 HydrophobicContact CZ2-CD1 3.21Å; W75-I230 HydrophobicContact CZ3-CD1 4.33Å
76	S	92.8	Very high	94.9	Very high	102 Å²	102	60.6 Å²	60.6	71%	0.713	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.4	-177.3	52.5	0	0	0	0	114.2	S73 G78	S73-S76 WeakPolarHBondContact O-CB 3.25Å; S73-S76 PolarHBondContact O-N 3.47Å; S73-S76 PolarHBondContact O-OG 2.75Å; S76-G78 PolarHBondContact O-N 3.25Å
77	Q	93.7	Very high	95.1	Very high	99 Å²	99	60.1 Å²	60.1	46%	0.463	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.1	175.3	-63.4	-173.6	62.7	0	0	113.3	W75 M81 L82	W75-Q77 PolarHBondContact O-N 3.23Å; W75-Q77 VanDerWaalsContact O-N 3.16Å; Q77-M81 HydrophobicContact CB-CB 3.88Å; Q77-M81 HydrophobicContact CB-CG 4.11Å; Q77-M81 WeakPolarHBondContact O-CG 3.39Å; Q77-L82 PolarHBondContact NE2-O 3.13Å
78	G	95.3	Very high	95.2	Very high	26 Å²	26	65 Å²	65	27%	0.268	35%	0.352	S	S	.	.			trans	100.7	-175.5	-177.5	0	0	0	0	0	113.5	S59 W75 S76	S59-G78 WeakPolarHBondContact CB-O 3.33Å; S59-G78 PolarHBondContact OG-O 3.17Å; W75-G78 PolarHBondContact O-N 2.86Å; S76-G78 PolarHBondContact O-N 3.25Å
79	F	96.4	Very high	95.5	Very high	65 Å²	65	64.3 Å²	64.3	29%	0.285	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	144.6	-176	-68.9	-78.5	0	0	0	112.3	S59 P60 N63 I71 M81 F221	S59-F79 WeakPolarHBondContact OG-CA 3.45Å; P60-F79 HydrophobicContact CB-CD1 4.21Å; P60-F79 CarbonylContact O-C 3.51Å; P60-F79 WeakPolarHBondContact O-CA 3.34Å; P60-F79 VanDerWaalsContact O-CB 3.27Å; P60-F79 WeakPolarHBondContact O-CB 3.28Å; P60-F79 VanDerWaalsContact O-CD1 3.32Å; P60-F79 WeakPolarHBondContact O-CD1 3.35Å; N63-F79 HydrophobicContact CB-CD1 4.35Å; N63-F79 HydrophobicContact CB-CD2 4.1Å; N63-F79 HydrophobicContact CB-CE1 3.89Å; N63-F79 HydrophobicContact CB-CE2 3.6Å; N63-F79 HydrophobicContact CB-CG 4.46Å; N63-F79 HydrophobicContact CB-CZ 3.49Å; N63-F79 VanDerWaalsContact CB-CZ 3.49Å; N63-F79 WeakPolarHBondContact OD1-CZ 3.49Å; I71-F79 HydrophobicContact CD1-CE2 3.63Å; I71-F79 HydrophobicContact CD1-CZ 3.86Å; I71-F79 HydrophobicContact CG1-CE2 4.36Å; I71-F79 HydrophobicContact CG1-CZ 4.08Å; F79-M81 PolarHBondContact O-N 2.83Å; F79-F221 HydrophobicContact CE1-CE2 4.26Å
80	G	97.1	Very high	95.9	Very high	8 Å²	8	56.7 Å²	56.7	8%	0.082	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	8.3	-179.1	0	0	0	0	0	115.2	S59 P60 R123	S59-G80 PolarHBondContact OG-N 3.14Å; P60-G80 PolarHBondContact O-N 3.04Å; G80-R123 WeakPolarHBondContact O-CD 3.37Å; G80-R123 PolarHBondContact O-NH1 3.41Å
81	M	97.9	Very high	96.3	Very high	40 Å²	40	52 Å²	52	20%	0.197	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-93	148.4	-176.7	-61.8	-56.9	-76.1	0	0	111.7	R58 S59 Q77 F79 D122	R58-M81 CarbonylContact C-O 3.5Å; R58-M81 WeakPolarHBondContact CA-O 3.2Å; R58-M81 WeakPolarHBondContact CB-O 3.24Å; S59-M81 PolarHBondContact N-O 3.38Å; S59-M81 PolarHBondContact OG-N 3.18Å; S59-M81 VanDerWaalsContact OG-N 3.1Å; S59-M81 PolarHBondContact OG-O 3.12Å; Q77-M81 HydrophobicContact CB-CB 3.88Å; Q77-M81 HydrophobicContact CB-CG 4.11Å; Q77-M81 WeakPolarHBondContact O-CG 3.39Å; F79-M81 PolarHBondContact O-N 2.83Å; M81-D122 HydrophobicContact CE-CB 3.95Å; M81-D122 HydrophobicContact SD-CB 4.31Å
82	L	98.3	Very high	96.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-66.4	136.7	175.2	-163.8	75.6	0	0	0	110	D57 Q77 V87 R123 M126 S127	D57-L82 VanDerWaalsContact O-CD1 3.31Å; D57-L82 WeakPolarHBondContact O-CD1 3.23Å; Q77-L82 PolarHBondContact NE2-O 3.13Å; L82-V87 HydrophobicContact CD2-CG2 3.65Å; L82-V87 HydrophobicContact CG-CG2 4.35Å; L82-R123 HydrophobicContact CB-CB 3.93Å; L82-R123 HydrophobicContact CD1-CB 4.26Å; L82-M126 HydrophobicContact CB-CE 4.44Å; L82-M126 HydrophobicContact CB-SD 4.3Å; L82-M126 HydrophobicContact CD2-CB 3.58Å; L82-M126 HydrophobicContact CD2-CE 4.49Å; L82-S127 WeakPolarHBondContact CD1-OG 3.4Å
83	T	98.3	Very high	97	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.031	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-93.7	170.4	176.2	69.4	0	0	0	0	111	D57 K85 G86 V87 H228	D57-T83 PolarHBondContact O-N 3.12Å; D57-T83 VanDerWaalsContact O-N 3.07Å; D57-T83 PolarHBondContact O-OG1 2.95Å; D57-T83 PolarHBondContact OD2-OG1 3.23Å; T83-K85 PolarHBondContact O-N 3.25Å; T83-K85 PolarHBondContact OG1-N 3.46Å; T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 3.42Å; T83-G86 PolarHBondContact OG1-N 3.33Å; T83-V87 PolarHBondContact O-N 3.01Å; T83-H228 VanDerWaalsContact CG2-NE2 3.3Å; T83-H228 WeakPolarHBondContact CG2-NE2 3.09Å
84	D	97.8	Very high	97.2	Very high	120 Å²	120	46.1 Å²	46.1	64%	0.642	25%	0.247	S	C	*	.	H	α-helix	trans	-58	-37.8	173.2	-62.5	-20.3	0	0	0	111.5	G86 V87 E88	D84-G86 VanDerWaalsContact C-N 3.31Å; D84-G86 PolarHBondContact O-N 3.02Å; D84-V87 WeakPolarHBondContact O-CB 3.5Å; D84-V87 PolarHBondContact O-N 2.84Å; D84-E88 PolarHBondContact O-N 2.9Å
85	K	97.8	Very high	97.4	Very high	81 Å²	81	46.8 Å²	46.8	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-42.5	172.5	-67.6	-172.4	178.4	-169.7	0	111.2	D57 T83 V87 E88 Q89 A227	D57-K85 HydrophobicContact CB-CB 4.19Å; T83-K85 PolarHBondContact O-N 3.25Å; T83-K85 PolarHBondContact OG1-N 3.46Å; K85-V87 VanDerWaalsContact C-N 3.33Å; K85-V87 PolarHBondContact O-N 2.92Å; K85-E88 PolarHBondContact O-N 3.25Å; K85-Q89 WeakPolarHBondContact O-CB 3.2Å; K85-Q89 WeakPolarHBondContact O-CG 2.93Å; K85-Q89 PolarHBondContact O-N 3.42Å; K85-A227 PolarHBondContact NZ-O 3.35Å
86	G	98.6	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-37.8	177.7	0	0	0	0	0	113.2	D57 T83 D84 H90	D57-G86 VanDerWaalsContact N-CA 3.32Å; D57-G86 WeakPolarHBondContact O-CA 3.13Å; T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 3.42Å; T83-G86 PolarHBondContact OG1-N 3.33Å; D84-G86 VanDerWaalsContact C-N 3.31Å; D84-G86 PolarHBondContact O-N 3.02Å; G86-H90 PolarHBondContact O-N 2.97Å
87	V	98.6	Very high	97.8	Very high	54 Å²	54	43.8 Å²	43.8	33%	0.327	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-49.3	173.2	175.8	0	0	0	0	110.6	L82 T83 D84 K85 Q89 H90 F91 A130	L82-V87 HydrophobicContact CD2-CG2 3.65Å; L82-V87 HydrophobicContact CG-CG2 4.35Å; T83-V87 PolarHBondContact O-N 3.01Å; D84-V87 WeakPolarHBondContact O-CB 3.5Å; D84-V87 PolarHBondContact O-N 2.84Å; K85-V87 VanDerWaalsContact C-N 3.33Å; K85-V87 PolarHBondContact O-N 2.92Å; V87-Q89 PolarHBondContact O-N 3.44Å; V87-H90 PolarHBondContact O-N 3.46Å; V87-F91 PolarHBondContact O-N 3.49Å; V87-A130 HydrophobicContact CG1-CB 4.05Å
88	E	98.6	Very high	97.9	Very high	116 Å²	116	40.4 Å²	40.4	54%	0.542	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-46.1	178.4	-73.1	-178.5	179.8	0	0	112.2	D84 K85 H90 F91 F92	D84-E88 PolarHBondContact O-N 2.9Å; K85-E88 PolarHBondContact O-N 3.25Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 3.02Å; E88-F91 PolarHBondContact O-N 2.88Å; E88-F92 HydrophobicContact CB-CD2 4.29Å; E88-F92 HydrophobicContact CB-CE2 4.09Å; E88-F92 WeakPolarHBondContact O-CD2 3.31Å; E88-F92 PolarHBondContact O-N 3.49Å
89	Q	98.8	Very high	97.9	Very high	19 Å²	19	42 Å²	42	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-55	-45	178	-72.9	166.6	3.2	0	0	111.7	K85 V87 L93 A328 W357	K85-Q89 WeakPolarHBondContact O-CB 3.2Å; K85-Q89 WeakPolarHBondContact O-CG 2.93Å; K85-Q89 PolarHBondContact O-N 3.42Å; V87-Q89 PolarHBondContact O-N 3.44Å; Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 PolarHBondContact O-N 2.91Å; Q89-A328 HydrophobicContact CB-CB 4.26Å; Q89-W357 HydrophobicContact CB-CB 4.04Å; Q89-W357 HydrophobicContact CG-CB 3.67Å; Q89-W357 HydrophobicContact CG-CD2 4.12Å; Q89-W357 HydrophobicContact CG-CG 3.7Å
90	H	98.9	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-37.3	178.4	-90.6	-73.1	0	0	0	113.4	F53 R54 H55 G56 G86 V87 E88 F92 L93 G94 S127 A130 N131	F53-H90 AromaticContact CD2-CE1 3.22Å; F53-H90 WeakPolarHBondContact CD2-CE1 3.49Å; F53-H90 AromaticContact CD2-ND1 3.87Å; F53-H90 AromaticContact CE2-CE1 3.39Å; F53-H90 WeakPolarHBondContact CE2-CE1 3.38Å; F53-H90 AromaticContact CE2-ND1 3.64Å; F53-H90 AromaticContact CG-CE1 3.87Å; R54-H90 PolarHBondContact O-CE1 2.83Å; R54-H90 VanDerWaalsContact O-CE1 3.28Å; R54-H90 PolarHBondContact O-NE2 2.82Å; R54-H90 VanDerWaalsContact O-NE2 3.13Å; H55-H90 WeakPolarHBondContact CA-NE2 3.46Å; G56-H90 PolarHBondContact N-CD2 3.29Å; G56-H90 PolarHBondContact N-NE2 3.23Å; G86-H90 PolarHBondContact O-N 2.97Å; V87-H90 PolarHBondContact O-N 3.46Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 3.02Å; H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 PolarHBondContact O-N 3.14Å; H90-L93 PolarHBondContact O-N 3.44Å; H90-G94 PolarHBondContact O-N 2.95Å; H90-S127 WeakPolarHBondContact CB-O 3.49Å; H90-S127 WeakPolarHBondContact CD2-CB 3.37Å; H90-S127 PolarHBondContact CD2-OG 2.9Å; H90-S127 VanDerWaalsContact CD2-OG 3.27Å; H90-A130 HydrophobicContact CB-CB 3.88Å; H90-N131 HydrophobicContact CB-CB 4.21Å; H90-N131 VanDerWaalsContact O-CA 3.28Å; H90-N131 WeakPolarHBondContact O-CA 3.05Å; H90-N131 PolarHBondContact O-ND2 3.21Å
91	F	98.7	Very high	97.8	Very high	68 Å²	68	39.7 Å²	39.7	30%	0.298	19%	0.193	S	C	.	.	H	α-helix	trans	-58.8	-46.4	173.5	-178.5	-98	0	0	0	111.3	V87 E88 G94 K95 A130 A133 G134 N137	V87-F91 PolarHBondContact O-N 3.49Å; E88-F91 PolarHBondContact O-N 2.88Å; F91-G94 PolarHBondContact O-N 2.93Å; F91-K95 HydrophobicContact CD1-CD 4.11Å; F91-K95 HydrophobicContact CE1-CD 3.57Å; F91-K95 HydrophobicContact CE1-CG 4.26Å; F91-K95 HydrophobicContact CZ-CD 4.14Å; F91-K95 PolarHBondContact O-N 2.96Å; F91-A130 WeakPolarHBondContact CA-O 3.48Å; F91-A133 HydrophobicContact CD2-CB 4.31Å; F91-A133 HydrophobicContact CE2-CB 4.48Å; F91-G134 VanDerWaalsContact CD2-CA 3.43Å; F91-G134 WeakPolarHBondContact O-CA 3.4Å; F91-N137 HydrophobicContact CE2-CB 4.17Å; F91-N137 HydrophobicContact CZ-CB 4.01Å
92	F	98.6	Very high	97.4	Very high	111 Å²	111	42.2 Å²	42.2	49%	0.487	20%	0.204	S	C	.	.	H	α-helix	trans	-68.3	-36.4	176.7	-67.7	-54.9	0	0	0	112.9	E88 H90 G94 K95 W96	E88-F92 HydrophobicContact CB-CD2 4.29Å; E88-F92 HydrophobicContact CB-CE2 4.09Å; E88-F92 WeakPolarHBondContact O-CD2 3.31Å; E88-F92 PolarHBondContact O-N 3.49Å; H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 PolarHBondContact O-N 3.14Å; F92-G94 VanDerWaalsContact C-N 3.29Å; F92-G94 PolarHBondContact O-N 3.38Å; F92-K95 HydrophobicContact CD1-CD 4.28Å; F92-K95 PolarHBondContact O-N 2.91Å; F92-W96 WeakPolarHBondContact O-CB 3.37Å; F92-W96 PolarHBondContact O-N 2.95Å
93	L	98.8	Very high	97	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-41.3	170.5	178.2	63.1	0	0	0	111.4	F53 Q89 H90 W96 L97 N131 A328 S330 K354	F53-L93 HydrophobicContact CB-CD2 4.23Å; F53-L93 HydrophobicContact CD1-CD2 4.19Å; F53-L93 HydrophobicContact CG-CD2 4.26Å; Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 PolarHBondContact O-N 2.91Å; H90-L93 PolarHBondContact O-N 3.44Å; L93-W96 HydrophobicContact CD1-CE3 4.22Å; L93-W96 WeakPolarHBondContact O-CB 3.32Å; L93-W96 PolarHBondContact O-N 3.46Å; L93-L97 HydrophobicContact CD1-CG 4.46Å; L93-L97 HydrophobicContact CG-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å; L93-N131 WeakPolarHBondContact CG-ND2 3.37Å; L93-A328 HydrophobicContact CD2-CB 4.27Å; L93-S330 WeakPolarHBondContact CD2-OG 3.31Å; L93-K354 HydrophobicContact CD1-CD 3.59Å
94	G	98.3	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-45.9	176.3	0	0	0	0	0	111.9	H90 F91 F92 W96 L97 R98 N131 F135	H90-G94 PolarHBondContact O-N 2.95Å; F91-G94 PolarHBondContact O-N 2.93Å; F92-G94 VanDerWaalsContact C-N 3.29Å; F92-G94 PolarHBondContact O-N 3.38Å; G94-W96 VanDerWaalsContact C-N 3.34Å; G94-W96 PolarHBondContact O-N 2.99Å; G94-L97 PolarHBondContact O-N 3.02Å; G94-R98 PolarHBondContact O-N 2.89Å; G94-N131 WeakPolarHBondContact CA-ND2 3.36Å; G94-N131 WeakPolarHBondContact CA-O 3.33Å; G94-N131 PolarHBondContact N-ND2 3.37Å; G94-N131 VanDerWaalsContact N-ND2 3.14Å; G94-F135 WeakPolarHBondContact O-CA 3.17Å
95	K	97.7	Very high	96.3	Very high	57 Å²	57	44 Å²	44	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-42.3	174.4	-72.6	-176.9	63.8	179.4	0	112.3	F91 F92 R98 S99 G134 N137	F91-K95 HydrophobicContact CD1-CD 4.11Å; F91-K95 HydrophobicContact CE1-CD 3.57Å; F91-K95 HydrophobicContact CE1-CG 4.26Å; F91-K95 HydrophobicContact CZ-CD 4.14Å; F91-K95 PolarHBondContact O-N 2.96Å; F92-K95 HydrophobicContact CD1-CD 4.28Å; F92-K95 PolarHBondContact O-N 2.91Å; K95-R98 PolarHBondContact O-N 3.45Å; K95-S99 WeakPolarHBondContact O-CB 3.5Å; K95-S99 PolarHBondContact O-N 2.75Å; K95-G134 WeakPolarHBondContact CG-O 3.36Å; K95-G134 PolarHBondContact N-O 3.2Å; K95-N137 WeakPolarHBondContact CD-ND2 3.45Å; K95-N137 WeakPolarHBondContact CE-ND2 3.34Å
96	W	98	Very high	96	Very high	46 Å²	46	42.6 Å²	42.6	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-46.8	177.7	179.3	92.8	0	0	0	111.2	F92 L93 G94 R98 S99 K100 I332 L352 K354 E360	F92-W96 WeakPolarHBondContact O-CB 3.37Å; F92-W96 PolarHBondContact O-N 2.95Å; L93-W96 HydrophobicContact CD1-CE3 4.22Å; L93-W96 WeakPolarHBondContact O-CB 3.32Å; L93-W96 PolarHBondContact O-N 3.46Å; G94-W96 VanDerWaalsContact C-N 3.34Å; G94-W96 PolarHBondContact O-N 2.99Å; W96-R98 VanDerWaalsContact C-N 3.35Å; W96-R98 PolarHBondContact O-N 2.85Å; W96-S99 PolarHBondContact O-N 3.33Å; W96-K100 HydrophobicContact CH2-CD 3.7Å; W96-K100 HydrophobicContact CZ2-CD 4.05Å; W96-K100 HydrophobicContact CZ3-CD 4.18Å; W96-K100 PolarHBondContact O-N 2.84Å; W96-I332 HydrophobicContact CH2-CD1 4.04Å; W96-I332 HydrophobicContact CZ3-CD1 3.74Å; W96-L352 HydrophobicContact CH2-CD2 3.93Å; W96-K354 HydrophobicContact CD2-CD 4.36Å; W96-K354 HydrophobicContact CE3-CD 4.23Å; W96-K354 HydrophobicContact CH2-CD 4.44Å; W96-K354 HydrophobicContact CZ3-CD 4.26Å; W96-E360 PolarHBondContact NE1-O 3.03Å
97	L	97.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.2	-74	173.4	0	0	0	111.6	I51 L93 G94 S99 K100 Y101 F135 I332	I51-L97 HydrophobicContact CD1-CD1 4.3Å; I51-L97 HydrophobicContact CD1-CD2 3.88Å; I51-L97 HydrophobicContact CG2-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.46Å; L93-L97 HydrophobicContact CG-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å; G94-L97 PolarHBondContact O-N 3.02Å; L97-S99 PolarHBondContact O-N 2.64Å; L97-K100 PolarHBondContact O-N 2.81Å; L97-Y101 HydrophobicContact CD2-CD2 4.3Å; L97-Y101 HydrophobicContact CD2-CE2 3.92Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.38Å; L97-Y101 PolarHBondContact O-N 2.91Å; L97-F135 HydrophobicContact CB-CD2 3.71Å; L97-F135 HydrophobicContact CB-CE2 3.85Å; L97-I332 HydrophobicContact CD2-CD1 3.9Å
98	R	96.4	Very high	95.4	Very high	27 Å²	27	50.4 Å²	50.4	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-46.4	176.6	177.2	62.2	-175.6	165.2	9.4	111.7	G94 K95 W96 K100 Y101 Q102 V105 P106 F135	G94-R98 PolarHBondContact O-N 2.89Å; K95-R98 PolarHBondContact O-N 3.45Å; W96-R98 VanDerWaalsContact C-N 3.35Å; W96-R98 PolarHBondContact O-N 2.85Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3.46Å; R98-Y101 PolarHBondContact O-N 3.03Å; R98-Q102 WeakPolarHBondContact O-CA 3.07Å; R98-Q102 VanDerWaalsContact O-CB 3.23Å; R98-Q102 WeakPolarHBondContact O-CB 3.44Å; R98-Q102 PolarHBondContact O-N 2.95Å; R98-V105 PolarHBondContact NH1-O 3.34Å; R98-P106 PolarHBondContact NH1-O 2.91Å; R98-F135 HydrophobicContact CB-CD1 4.46Å; R98-F135 HydrophobicContact CB-CD2 4.02Å; R98-F135 HydrophobicContact CB-CE2 4.25Å; R98-F135 HydrophobicContact CB-CG 4.12Å; R98-F135 VanDerWaalsContact CB-O 3.25Å; R98-F135 WeakPolarHBondContact CB-O 3.42Å; R98-F135 VanDerWaalsContact CD-O 3.26Å; R98-F135 WeakPolarHBondContact CD-O 3.37Å; R98-F135 WeakPolarHBondContact CG-O 3.05Å
99	S	95.6	Very high	95.1	Very high	61 Å²	61	47.2 Å²	47.2	43%	0.427	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-43.9	178.7	-176.3	0	0	0	0	111.6	K95 W96 L97	K95-S99 WeakPolarHBondContact O-CB 3.5Å; K95-S99 PolarHBondContact O-N 2.75Å; W96-S99 PolarHBondContact O-N 3.33Å; L97-S99 PolarHBondContact O-N 2.64Å
100	K	95	Very high	94.7	Very high	24 Å²	24	49.9 Å²	49.9	10%	0.104	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-43.1	-179.6	-170.3	176.8	170.8	80.2	0	112.8	N43 W96 L97 R98 E334 L352 Y364	N43-K100 PolarHBondContact ND2-O 2.85Å; W96-K100 HydrophobicContact CH2-CD 3.7Å; W96-K100 HydrophobicContact CZ2-CD 4.05Å; W96-K100 HydrophobicContact CZ3-CD 4.18Å; W96-K100 PolarHBondContact O-N 2.84Å; L97-K100 PolarHBondContact O-N 2.81Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3.46Å; K100-E334 WeakPolarHBondContact CE-OE1 3.38Å; K100-L352 HydrophobicContact CD-CD2 4.04Å; K100-Y364 PolarHBondContact NZ-OH 2.9Å
101	Y	94.9	Very high	94.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-110.5	21.4	-172	-55.1	-64.7	0	0	0	114.1	L46 L49 L97 R98 R103 F104 I332 E334	L46-Y101 HydrophobicContact CD2-CD1 3.75Å; L46-Y101 HydrophobicContact CD2-CE1 4.08Å; L49-Y101 HydrophobicContact CD1-CD1 3.59Å; L49-Y101 HydrophobicContact CD1-CD2 3.69Å; L49-Y101 HydrophobicContact CD1-CE1 3.75Å; L49-Y101 HydrophobicContact CD1-CE2 3.85Å; L49-Y101 HydrophobicContact CD1-CG 3.55Å; L49-Y101 HydrophobicContact CD2-CD1 4.42Å; L49-Y101 HydrophobicContact CD2-CE1 3.84Å; L49-Y101 HydrophobicContact CG-CE1 4.47Å; L97-Y101 HydrophobicContact CD2-CD2 4.3Å; L97-Y101 HydrophobicContact CD2-CE2 3.92Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.38Å; L97-Y101 PolarHBondContact O-N 2.91Å; R98-Y101 PolarHBondContact O-N 3.03Å; Y101-R103 PolarHBondContact O-N 2.82Å; Y101-F104 PolarHBondContact O-N 3.3Å; Y101-I332 WeakPolarHBondContact OH-CG2 3.43Å; Y101-E334 PolarHBondContact OH-OE1 3.34Å
102	Q	90.7	Very high	93.8	Very high	93 Å²	93	49.5 Å²	49.5	44%	0.435	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.7	-172.4	58.7	173.1	-7.8	0	0	115	R98	R98-Q102 WeakPolarHBondContact O-CA 3.07Å; R98-Q102 VanDerWaalsContact O-CB 3.23Å; R98-Q102 WeakPolarHBondContact O-CB 3.44Å; R98-Q102 PolarHBondContact O-N 2.95Å
103	R	89	Confident	93.5	Very high	147 Å²	147	47.7 Å²	47.7	56%	0.555	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.2	-179.6	-66	-171.7	175.8	157.6	4.6	113.2	N40 N43 Y101	N40-R103 VanDerWaalsContact OD1-CZ 3.3Å; N40-R103 PolarHBondContact OD1-NH1 3.47Å; N40-R103 PolarHBondContact OD1-NH2 3.44Å; N43-R103 HydrophobicContact CB-CB 4.14Å; Y101-R103 PolarHBondContact O-N 2.82Å
104	F	91.6	Very high	93.3	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.053	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-32.4	-174.8	-178.9	-116.5	0	0	0	112.5	L46 K47 L49 Y101 E298 H299 I300	L46-F104 HydrophobicContact CB-CD2 4.1Å; L46-F104 HydrophobicContact CB-CE2 4.36Å; L46-F104 HydrophobicContact CD2-CB 3.96Å; L46-F104 HydrophobicContact CD2-CD1 3.82Å; L46-F104 HydrophobicContact CD2-CD2 3.81Å; L46-F104 HydrophobicContact CD2-CE1 4.3Å; L46-F104 HydrophobicContact CD2-CE2 4.29Å; L46-F104 HydrophobicContact CD2-CG 3.56Å; L46-F104 HydrophobicContact CG-CD1 4.45Å; L46-F104 HydrophobicContact CG-CD2 3.88Å; L46-F104 HydrophobicContact CG-CE2 3.97Å; L46-F104 HydrophobicContact CG-CG 4.15Å; L46-F104 HydrophobicContact CG-CZ 4.31Å; L46-F104 VanDerWaalsContact O-CE2 3.31Å; L46-F104 WeakPolarHBondContact O-CE2 3.27Å; K47-F104 VanDerWaalsContact C-CZ 3.5Å; K47-F104 WeakPolarHBondContact O-CZ 3.39Å; L49-F104 HydrophobicContact CD1-CD1 4.01Å; L49-F104 HydrophobicContact CD1-CE1 4.23Å; L49-F104 HydrophobicContact CG-CD1 4.36Å; L49-F104 HydrophobicContact CG-CE1 4.12Å; Y101-F104 PolarHBondContact O-N 3.3Å; F104-E298 HydrophobicContact CE2-CB 3.85Å; F104-E298 HydrophobicContact CE2-CG 4.07Å; F104-E298 HydrophobicContact CZ-CB 4.07Å; F104-H299 WeakPolarHBondContact CE1-O 3.5Å; F104-I300 HydrophobicContact CD1-CD1 4.12Å; F104-I300 HydrophobicContact CD1-CG1 3.9Å; F104-I300 HydrophobicContact CE1-CG1 3.79Å
105	V	89.7	Confident	93.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	24%	0.243	C	C	.	.	S	Bend	trans	-124.4	146.5	175.9	-67.3	0	0	0	0	112.9	R98 F135 I300	R98-V105 PolarHBondContact NH1-O 3.34Å; V105-F135 HydrophobicContact CG2-CE1 3.65Å; V105-F135 HydrophobicContact CG2-CZ 3.56Å; V105-I300 HydrophobicContact CB-CD1 4.28Å; V105-I300 HydrophobicContact CG1-CD1 3.48Å; V105-I300 VanDerWaalsContact CG1-CD1 3.48Å; V105-I300 HydrophobicContact CG1-CG1 3.59Å; V105-I300 HydrophobicContact CG2-CD1 3.77Å
106	P	91.7	Very high	93.1	Very high	52 Å²	52	46.1 Å²	46.1	34%	0.338	23%	0.232	S	C	.	.			trans	-54.5	151.4	-179.4	-25.7	34.2	0	0	0	113.3	R98 K108 Y113	R98-P106 PolarHBondContact NH1-O 2.91Å; P106-K108 PolarHBondContact O-N 3.43Å; P106-Y113 HydrophobicContact CG-CD1 4.15Å; P106-Y113 HydrophobicContact CG-CD2 4.18Å; P106-Y113 HydrophobicContact CG-CE1 4.27Å; P106-Y113 HydrophobicContact CG-CE2 4.29Å; P106-Y113 HydrophobicContact CG-CG 4.1Å
107	S	91.7	Very high	93	Very high	70 Å²	70	45 Å²	45	49%	0.49	23%	0.228	S	C	.	.	S	Bend	trans	-66.5	-26.2	175	58.9	0	0	0	0	113	S139	S107-S139 VanDerWaalsContact O-CB 3.28Å; S107-S139 WeakPolarHBondContact O-CB 3.44Å; S107-S139 PolarHBondContact O-OG 2.79Å
108	K	92.6	Very high	93	Very high	148 Å²	148	45 Å²	45	64%	0.643	23%	0.228	S	C	*	.	S	Bend	trans	-97.6	133.7	174.2	-173.7	177.9	179.8	-179.3	0	109.5	P106 N110	P106-K108 PolarHBondContact O-N 3.43Å; K108-N110 PolarHBondContact O-N 2.93Å
109	Y	92.9	Very high	93.1	Very high	48 Å²	48	43.7 Å²	43.7	19%	0.188	22%	0.223	C	C	.	.			trans	-56.7	137.4	175.7	171.2	-104.8	0	0	0	112.2	G111 Y114 Y136 F151 I153 P154	Y109-G111 WeakPolarHBondContact OH-CA 3.31Å; Y109-Y114 HydrophobicContact CD2-CD1 4.38Å; Y109-Y114 HydrophobicContact CE2-CD1 4.2Å; Y109-Y114 WeakPolarHBondContact CE2-O 3.25Å; Y109-Y136 AromaticContact CD2-CE2 3.8Å; Y109-Y136 HydrophobicContact CD2-CE2 3.8Å; Y109-Y136 AromaticContact CD2-CZ 3.98Å; Y109-Y136 HydrophobicContact CG-CE2 4.44Å; Y109-F151 HydrophobicContact CD1-CD1 4.28Å; Y109-F151 AromaticContact CD1-CE1 3.84Å; Y109-F151 HydrophobicContact CD1-CE1 3.84Å; Y109-I153 HydrophobicContact CD1-CD1 3.88Å; Y109-I153 HydrophobicContact CD2-CD1 3.48Å; Y109-I153 VanDerWaalsContact CD2-CD1 3.48Å; Y109-I153 HydrophobicContact CD2-CG2 4.17Å; Y109-I153 HydrophobicContact CE1-CD1 4.49Å; Y109-I153 HydrophobicContact CE2-CD1 4.15Å; Y109-I153 HydrophobicContact CE2-CG2 3.87Å; Y109-I153 HydrophobicContact CG-CD1 3.31Å; Y109-P154 WeakPolarHBondContact OH-CD 3.43Å
110	N	91	Very high	93.2	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	22%	0.218	S	C	.	.			trans	-149.3	132.2	166.2	177.7	-36.9	0	0	0	107.9	K108 S112 Y113 Y114	K108-N110 PolarHBondContact O-N 2.93Å; N110-S112 PolarHBondContact O-N 2.88Å; N110-S112 VanDerWaalsContact O-N 3.12Å; N110-S112 WeakPolarHBondContact OD1-CB 3.49Å; N110-S112 PolarHBondContact OD1-N 3.3Å; N110-S112 PolarHBondContact OD1-OG 3.22Å; N110-Y113 HydrophobicContact CB-CD2 3.88Å; N110-Y113 HydrophobicContact CB-CE2 4.38Å; N110-Y113 PolarHBondContact O-N 3.49Å; N110-Y114 PolarHBondContact O-N 3.31Å
111	G	89.1	Confident	93.3	Very high	29 Å²	29	43.7 Å²	43.7	30%	0.299	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.3	-176.9	0	0	0	0	0	115	Y109 Y113	Y109-G111 WeakPolarHBondContact OH-CA 3.31Å; G111-Y113 VanDerWaalsContact C-N 3.28Å; G111-Y113 PolarHBondContact O-N 3.48Å
112	S	89.4	Confident	93.5	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.5	174	-63.6	0	0	0	0	113.9	N110 T294 S296 H299	N110-S112 PolarHBondContact O-N 2.88Å; N110-S112 VanDerWaalsContact O-N 3.12Å; N110-S112 WeakPolarHBondContact OD1-CB 3.49Å; N110-S112 PolarHBondContact OD1-N 3.3Å; N110-S112 PolarHBondContact OD1-OG 3.22Å; S112-T294 PolarHBondContact OG-O 2.92Å; S112-S296 VanDerWaalsContact O-CB 3.27Å; S112-S296 WeakPolarHBondContact O-CB 3.18Å; S112-S296 PolarHBondContact O-N 3.13Å; S112-H299 WeakPolarHBondContact O-CB 3Å
113	Y	91.4	Very high	93.8	Very high	73 Å²	73	45.5 Å²	45.5	29%	0.286	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-21.3	-174.6	-61.7	-92.6	0	0	0	113.5	P106 N110 G111 S296 E298 H299 I300	P106-Y113 HydrophobicContact CG-CD1 4.15Å; P106-Y113 HydrophobicContact CG-CD2 4.18Å; P106-Y113 HydrophobicContact CG-CE1 4.27Å; P106-Y113 HydrophobicContact CG-CE2 4.29Å; P106-Y113 HydrophobicContact CG-CG 4.1Å; N110-Y113 HydrophobicContact CB-CD2 3.88Å; N110-Y113 HydrophobicContact CB-CE2 4.38Å; N110-Y113 PolarHBondContact O-N 3.49Å; G111-Y113 VanDerWaalsContact C-N 3.28Å; G111-Y113 PolarHBondContact O-N 3.48Å; Y113-S296 WeakPolarHBondContact CE1-OG 3.26Å; Y113-E298 WeakPolarHBondContact CD1-O 3.38Å; Y113-H299 CarbonylContact O-C 3.56Å; Y113-H299 WeakPolarHBondContact O-CA 3.13Å; Y113-I300 PolarHBondContact O-N 2.96Å
114	Y	94	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.1	-173.7	-171.2	-83.6	0	0	0	110.4	Y109 N110 V116 A132 F135 Y136 I153 I300 I302	Y109-Y114 HydrophobicContact CD2-CD1 4.38Å; Y109-Y114 HydrophobicContact CE2-CD1 4.2Å; Y109-Y114 WeakPolarHBondContact CE2-O 3.25Å; N110-Y114 PolarHBondContact O-N 3.31Å; Y114-V116 HydrophobicContact CD1-CG2 3.87Å; Y114-V116 HydrophobicContact CE1-CG2 3.33Å; Y114-A132 HydrophobicContact CE1-CB 4.34Å; Y114-F135 HydrophobicContact CD2-CD1 4.09Å; Y114-F135 AromaticContact CD2-CE1 3.86Å; Y114-F135 HydrophobicContact CD2-CE1 3.86Å; Y114-F135 HydrophobicContact CD2-CZ 4.2Å; Y114-F135 HydrophobicContact CE2-CB 4.35Å; Y114-F135 AromaticContact CE2-CD1 3.51Å; Y114-F135 HydrophobicContact CE2-CD1 3.51Å; Y114-F135 AromaticContact CE2-CD2 3.89Å; Y114-F135 HydrophobicContact CE2-CD2 3.89Å; Y114-F135 AromaticContact CE2-CE1 3.64Å; Y114-F135 HydrophobicContact CE2-CE1 3.64Å; Y114-F135 HydrophobicContact CE2-CE2 4.01Å; Y114-F135 AromaticContact CE2-CG 3.65Å; Y114-F135 HydrophobicContact CE2-CG 3.65Å; Y114-F135 AromaticContact CE2-CZ 3.89Å; Y114-F135 HydrophobicContact CE2-CZ 3.89Å; Y114-Y136 WeakPolarHBondContact CB-OH 3.42Å; Y114-Y136 AromaticContact CD1-CE2 3.78Å; Y114-Y136 HydrophobicContact CD1-CE2 3.78Å; Y114-Y136 AromaticContact CD2-CE2 3.91Å; Y114-Y136 HydrophobicContact CD2-CE2 3.91Å; Y114-Y136 AromaticContact CE1-CE2 3.93Å; Y114-Y136 HydrophobicContact CE1-CE2 3.93Å; Y114-Y136 HydrophobicContact CE2-CE2 4.05Å; Y114-Y136 AromaticContact CG-CE2 3.76Å; Y114-Y136 HydrophobicContact CG-CE2 3.76Å; Y114-Y136 AromaticContact CG-CZ 4Å; Y114-I153 HydrophobicContact CD1-CG2 4.14Å; Y114-I153 HydrophobicContact CE1-CG2 4.02Å; Y114-I300 HydrophobicContact CD2-CB 4.41Å; Y114-I300 HydrophobicContact CD2-CD1 4.47Å; Y114-I302 HydrophobicContact CD2-CD1 4.28Å; Y114-I302 HydrophobicContact CE1-CD1 3.94Å; Y114-I302 HydrophobicContact CE2-CD1 3.4Å; Y114-I302 WeakPolarHBondContact OH-CD1 3.24Å
115	H	94.7	Very high	94.6	Very high	25 Å²	25	39.2 Å²	39.2	12%	0.116	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.4	-177.2	-171	84.5	0	0	0	111.2	H156 L289 I300 M301 I302	H115-H156 AromaticContact CE1-CD2 3.11Å; H115-H156 PolarHBondContact CE1-CD2 3.19Å; H115-H156 AromaticContact CE1-NE2 3.58Å; H115-H156 AromaticContact ND1-CD2 3.79Å; H115-H156 AromaticContact NE2-CD2 3.58Å; H115-L289 HydrophobicContact CB-CD1 4.31Å; H115-I300 PolarHBondContact N-O 2.92Å; H115-M301 HydrophobicContact CB-CE 4.28Å; H115-M301 HydrophobicContact CB-SD 3.77Å; H115-I302 PolarHBondContact O-N 3.02Å
116	V	97.1	Very high	95	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124	-177.6	-168.8	0	0	0	0	110.6	Y114 A128 I153 V155 H156 I302	Y114-V116 HydrophobicContact CD1-CG2 3.87Å; Y114-V116 HydrophobicContact CE1-CG2 3.33Å; V116-A128 HydrophobicContact CG1-CB 3.89Å; V116-I153 HydrophobicContact CG2-CG2 4.43Å; V116-V155 HydrophobicContact CB-CG2 4.43Å; V116-V155 HydrophobicContact CG1-CG1 4.22Å; V116-V155 HydrophobicContact CG1-CG2 4.1Å; V116-H156 PolarHBondContact O-CD2 3.14Å; V116-H156 PolarHBondContact O-N 2.85Å; V116-I302 HydrophobicContact CG1-CB 4.38Å; V116-I302 HydrophobicContact CG1-CG2 4.2Å; V116-I302 HydrophobicContact CG2-CB 4.33Å
117	R	96.6	Very high	95.4	Very high	22 Å²	22	39.3 Å²	39.3	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.4	172.8	-175.5	77.9	179.3	76.4	15.8	108.6	H156 D163 L165 L166 I302 Y303 S304	R117-H156 CarbonylContact C-O 3.52Å; R117-H156 WeakPolarHBondContact CA-O 3.35Å; R117-H156 WeakPolarHBondContact CD-O 3.45Å; R117-H156 PolarHBondContact NH1-O 3.48Å; R117-D163 IonicContact CZ-OD1 3.57Å; R117-D163 IonicContact CZ-OD2 3.91Å; R117-D163 IonicContact NH1-OD2 3.98Å; R117-D163 IonicContact NH2-OD1 3.52Å; R117-D163 PolarHBondContact NH2-OD1 3.19Å; R117-D163 IonicContact NH2-OD2 3.63Å; R117-D163 PolarHBondContact NH2-OD2 2.98Å; R117-L165 HydrophobicContact CG-CD2 4.42Å; R117-L166 HydrophobicContact CG-CD1 4.03Å; R117-I302 PolarHBondContact N-O 3.43Å; R117-Y303 HydrophobicContact CB-CD1 3.74Å; R117-Y303 HydrophobicContact CB-CE1 4.02Å; R117-Y303 HydrophobicContact CG-CD1 4.08Å; R117-Y303 HydrophobicContact CG-CE1 4.32Å; R117-Y303 CarbonylContact O-C 3.51Å; R117-Y303 VanDerWaalsContact O-CA 3.27Å; R117-Y303 WeakPolarHBondContact O-CA 3.19Å; R117-S304 PolarHBondContact O-N 3.44Å
118	S	98.6	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.8	176.6	-174.5	0	0	0	0	110.7	T124 L125 H156 S304	S118-T124 WeakPolarHBondContact OG-CB 3.39Å; S118-T124 PolarHBondContact OG-O 3.41Å; S118-T124 PolarHBondContact OG-OG1 3.29Å; S118-L125 PolarHBondContact OG-N 2.97Å; S118-H156 PolarHBondContact N-O 3.31Å; S118-S304 WeakPolarHBondContact CA-O 3.49Å
119	T	98.3	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.			trans	-61.4	156.5	160.3	60.7	0	0	0	0	109.8	V121 T124 L166 V168 S304 A305 H306	T119-V121 PolarHBondContact O-N 2.88Å; T119-T124 PolarHBondContact O-OG1 2.83Å; T119-T124 WeakPolarHBondContact OG1-CB 3.33Å; T119-T124 VanDerWaalsContact OG1-CG2 3.31Å; T119-T124 WeakPolarHBondContact OG1-CG2 3.42Å; T119-T124 PolarHBondContact OG1-OG1 3.45Å; T119-L166 HydrophobicContact CG2-CB 3.65Å; T119-L166 HydrophobicContact CG2-CD1 3.81Å; T119-L166 HydrophobicContact CG2-CG 4.38Å; T119-V168 HydrophobicContact CG2-CG1 3.74Å; T119-V168 HydrophobicContact CG2-CG2 4.42Å; T119-S304 PolarHBondContact N-O 3.46Å; T119-A305 HydrophobicContact CG2-CB 4.45Å; T119-H306 PolarHBondContact OG1-NE2 3.41Å
120	D	97.5	Very high	96.3	Very high	59 Å²	59	32 Å²	32	32%	0.316	17%	0.169	S	C	.	.	S	Bend	trans	-85.2	62.7	-177.3	-160.7	32.4	0	0	0	112.1	T157 K158 Q160	D120-T157 WeakPolarHBondContact CA-OG1 3.34Å; D120-T157 WeakPolarHBondContact CB-OG1 3.45Å; D120-T157 PolarHBondContact OD1-OG1 2.94Å; D120-K158 WeakPolarHBondContact CB-O 3.07Å; D120-Q160 HydrophobicContact CB-CG 3.89Å; D120-Q160 PolarHBondContact O-NE2 3.21Å
121	V	97.1	Very high	96.7	Very high	25 Å²	25	28.5 Å²	28.5	15%	0.152	15%	0.15	C	C	.	.	S	Bend	trans	-135.6	131.6	178.7	-171.6	0	0	0	0	108.5	T119 R123 T124 L125	T119-V121 PolarHBondContact O-N 2.88Å; V121-R123 HydrophobicContact CG1-CG 3.93Å; V121-R123 VanDerWaalsContact CG1-NH1 3.35Å; V121-R123 PolarHBondContact O-N 3.15Å; V121-R123 VanDerWaalsContact O-N 3.08Å; V121-T124 HydrophobicContact CB-CG2 4.48Å; V121-T124 PolarHBondContact O-N 3.35Å; V121-T124 PolarHBondContact O-OG1 3.36Å; V121-L125 PolarHBondContact O-N 3.41Å
122	D	97.9	Very high	97.1	Very high	93 Å²	93	27.1 Å²	27.1	50%	0.497	14%	0.136	S	C	.	.	H	α-helix	trans	-49.3	-45.2	-173.4	-68.1	-7.7	0	0	0	113	M81 T124 L125 M126	M81-D122 HydrophobicContact CE-CB 3.95Å; M81-D122 HydrophobicContact SD-CB 4.31Å; D122-T124 VanDerWaalsContact C-N 3.34Å; D122-T124 PolarHBondContact O-N 3.03Å; D122-L125 PolarHBondContact O-N 3.49Å; D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 WeakPolarHBondContact O-CG 3.28Å; D122-M126 PolarHBondContact O-N 3.03Å
123	R	98.2	Very high	97.5	Very high	38 Å²	38	26.6 Å²	26.6	14%	0.143	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-33.2	179.1	65.8	177.8	173.4	-78.8	-7.3	114.5	H55 G80 L82 V121 S127	H55-R123 HydrophobicContact CB-CG 4.45Å; H55-R123 PolarHBondContact CD2-NE 3.46Å; H55-R123 PolarHBondContact NE2-NE 3.28Å; H55-R123 VanDerWaalsContact NE2-NE 3.16Å; G80-R123 WeakPolarHBondContact O-CD 3.37Å; G80-R123 PolarHBondContact O-NH1 3.41Å; L82-R123 HydrophobicContact CB-CB 3.93Å; L82-R123 HydrophobicContact CD1-CB 4.26Å; V121-R123 HydrophobicContact CG1-CG 3.93Å; V121-R123 VanDerWaalsContact CG1-NH1 3.35Å; V121-R123 PolarHBondContact O-N 3.15Å; V121-R123 VanDerWaalsContact O-N 3.08Å; R123-S127 WeakPolarHBondContact O-CB 3.32Å; R123-S127 PolarHBondContact O-N 3.23Å; R123-S127 VanDerWaalsContact O-N 3.1Å; R123-S127 PolarHBondContact O-OG 3.49Å
124	T	98.7	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-79.8	-38.4	178.5	57.1	0	0	0	0	110.4	H55 S118 T119 V121 D122 S127 A128 S304 A305 H306	H55-T124 HydrophobicContact CB-CG2 4.02Å; S118-T124 WeakPolarHBondContact OG-CB 3.39Å; S118-T124 PolarHBondContact OG-O 3.41Å; S118-T124 PolarHBondContact OG-OG1 3.29Å; T119-T124 PolarHBondContact O-OG1 2.83Å; T119-T124 WeakPolarHBondContact OG1-CB 3.33Å; T119-T124 VanDerWaalsContact OG1-CG2 3.31Å; T119-T124 WeakPolarHBondContact OG1-CG2 3.42Å; T119-T124 PolarHBondContact OG1-OG1 3.45Å; V121-T124 HydrophobicContact CB-CG2 4.48Å; V121-T124 PolarHBondContact O-N 3.35Å; V121-T124 PolarHBondContact O-OG1 3.36Å; D122-T124 VanDerWaalsContact C-N 3.34Å; D122-T124 PolarHBondContact O-N 3.03Å; T124-S127 PolarHBondContact O-N 3.01Å; T124-A128 WeakPolarHBondContact O-CB 3.25Å; T124-A128 PolarHBondContact O-N 3.43Å; T124-S304 PolarHBondContact O-OG 3.39Å; T124-A305 WeakPolarHBondContact CG2-O 3.13Å; T124-H306 VanDerWaalsContact CG2-CE1 3.47Å; T124-H306 WeakPolarHBondContact CG2-CE1 3.48Å
125	L	98.7	Very high	98	Very high	28 Å²	28	23 Å²	23	15%	0.147	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-49.3	173.4	-69.4	168.1	0	0	0	111.7	S118 V121 D122 S127 A128 M129 V155	S118-L125 PolarHBondContact OG-N 2.97Å; V121-L125 PolarHBondContact O-N 3.41Å; D122-L125 PolarHBondContact O-N 3.49Å; L125-S127 PolarHBondContact O-N 2.97Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 3.25Å; L125-M129 HydrophobicContact CB-CE 4.45Å; L125-M129 WeakPolarHBondContact O-CG 3.47Å; L125-M129 PolarHBondContact O-N 3.46Å; L125-V155 HydrophobicContact CD2-CG1 3.91Å
126	M	98.7	Very high	98	Very high	58 Å²	58	22.2 Å²	22.2	29%	0.286	12%	0.116	S	C	.	.	H	α-helix	trans	-63.9	-40.8	177.6	-69	172	73.8	0	0	112	L82 D122 A128 M129 A130	L82-M126 HydrophobicContact CB-CE 4.44Å; L82-M126 HydrophobicContact CB-SD 4.3Å; L82-M126 HydrophobicContact CD2-CB 3.58Å; L82-M126 HydrophobicContact CD2-CE 4.49Å; D122-M126 WeakPolarHBondContact O-CB 3.42Å; D122-M126 WeakPolarHBondContact O-CG 3.28Å; D122-M126 PolarHBondContact O-N 3.03Å; M126-A128 VanDerWaalsContact C-N 3.32Å; M126-A128 PolarHBondContact O-N 3.41Å; M126-M129 PolarHBondContact O-N 2.84Å; M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.48Å
127	S	98.9	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-42.8	174.4	-68.1	0	0	0	0	111.8	H55 G56 L82 H90 R123 T124 L125 A130 N131	H55-S127 WeakPolarHBondContact CB-OG 3.41Å; G56-S127 PolarHBondContact N-OG 2.96Å; G56-S127 VanDerWaalsContact N-OG 3.12Å; L82-S127 WeakPolarHBondContact CD1-OG 3.4Å; H90-S127 WeakPolarHBondContact CB-O 3.49Å; H90-S127 WeakPolarHBondContact CD2-CB 3.37Å; H90-S127 PolarHBondContact CD2-OG 2.9Å; H90-S127 VanDerWaalsContact CD2-OG 3.27Å; R123-S127 WeakPolarHBondContact O-CB 3.32Å; R123-S127 PolarHBondContact O-N 3.23Å; R123-S127 VanDerWaalsContact O-N 3.1Å; R123-S127 PolarHBondContact O-OG 3.49Å; T124-S127 PolarHBondContact O-N 3.01Å; L125-S127 PolarHBondContact O-N 2.97Å; S127-A130 PolarHBondContact O-N 3.32Å; S127-N131 VanDerWaalsContact O-CB 3.25Å; S127-N131 WeakPolarHBondContact O-CB 3.47Å; S127-N131 PolarHBondContact O-N 2.9Å
128	A	98.9	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.9	0	0	0	0	0	112.1	V116 T124 L125 M126 N131 A132 V155	V116-A128 HydrophobicContact CG1-CB 3.89Å; T124-A128 WeakPolarHBondContact O-CB 3.25Å; T124-A128 PolarHBondContact O-N 3.43Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 3.25Å; M126-A128 VanDerWaalsContact C-N 3.32Å; M126-A128 PolarHBondContact O-N 3.41Å; A128-N131 PolarHBondContact O-N 3.28Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.44Å; A128-V155 HydrophobicContact CB-CG1 3.8Å; A128-V155 HydrophobicContact CB-CG2 3.89Å
129	M	98.7	Very high	97.5	Very high	102 Å²	102	29.9 Å²	29.9	50%	0.502	15%	0.154	S	C	.	.	H	α-helix	trans	-65.7	-44.6	177.7	-66.1	175.7	-162.1	0	0	112	L125 M126 N131 A132 A133 V155	L125-M129 HydrophobicContact CB-CE 4.45Å; L125-M129 WeakPolarHBondContact O-CG 3.47Å; L125-M129 PolarHBondContact O-N 3.46Å; M126-M129 PolarHBondContact O-N 2.84Å; M129-N131 VanDerWaalsContact C-N 3.33Å; M129-N131 PolarHBondContact O-N 3.04Å; M129-A132 PolarHBondContact O-N 3.24Å; M129-A133 WeakPolarHBondContact O-CB 3.42Å; M129-A133 PolarHBondContact O-N 3.49Å; M129-V155 HydrophobicContact CG-CG2 3.84Å
130	A	98.7	Very high	97.2	Very high	10 Å²	10	34.4 Å²	34.4	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.4	0	0	0	0	0	111.4	V87 H90 F91 M126 S127 A133 G134	V87-A130 HydrophobicContact CG1-CB 4.05Å; H90-A130 HydrophobicContact CB-CB 3.88Å; F91-A130 WeakPolarHBondContact CA-O 3.48Å; M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.48Å; S127-A130 PolarHBondContact O-N 3.32Å; A130-A133 PolarHBondContact O-N 2.89Å; A130-G134 PolarHBondContact O-N 3.11Å
131	N	98.7	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-47.1	175.7	-172.4	-93.6	0	0	0	112.3	F53 H90 L93 G94 S127 A128 M129 A133 G134 F135	F53-N131 HydrophobicContact CE1-CB 4.27Å; F53-N131 HydrophobicContact CZ-CB 3.99Å; H90-N131 HydrophobicContact CB-CB 4.21Å; H90-N131 VanDerWaalsContact O-CA 3.28Å; H90-N131 WeakPolarHBondContact O-CA 3.05Å; H90-N131 PolarHBondContact O-ND2 3.21Å; L93-N131 WeakPolarHBondContact CG-ND2 3.37Å; G94-N131 WeakPolarHBondContact CA-ND2 3.36Å; G94-N131 WeakPolarHBondContact CA-O 3.33Å; G94-N131 PolarHBondContact N-ND2 3.37Å; G94-N131 VanDerWaalsContact N-ND2 3.14Å; S127-N131 VanDerWaalsContact O-CB 3.25Å; S127-N131 WeakPolarHBondContact O-CB 3.47Å; S127-N131 PolarHBondContact O-N 2.9Å; A128-N131 PolarHBondContact O-N 3.28Å; M129-N131 VanDerWaalsContact C-N 3.33Å; M129-N131 PolarHBondContact O-N 3.04Å; N131-A133 VanDerWaalsContact C-N 3.33Å; N131-A133 PolarHBondContact O-N 3.45Å; N131-G134 CarbonylContact O-C 3.57Å; N131-G134 PolarHBondContact O-N 3.12Å; N131-G134 VanDerWaalsContact O-N 3.14Å; N131-F135 WeakPolarHBondContact O-CB 3.48Å; N131-F135 PolarHBondContact O-N 2.79Å
132	A	98.2	Very high	96.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-38.1	177.4	0	0	0	0	0	112.3	Y114 A128 M129 G134 F135 Y136 I153	Y114-A132 HydrophobicContact CE1-CB 4.34Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.44Å; M129-A132 PolarHBondContact O-N 3.24Å; A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 2.96Å; A132-F135 PolarHBondContact O-N 3.27Å; A132-Y136 PolarHBondContact O-N 3.28Å; A132-I153 HydrophobicContact CB-CB 3.78Å; A132-I153 HydrophobicContact CB-CG1 3.96Å; A132-I153 HydrophobicContact CB-CG2 3.98Å
133	A	97.7	Very high	96.6	Very high	19 Å²	19	33.7 Å²	33.7	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-40.1	172.7	0	0	0	0	0	111.9	F91 M129 A130 N131 N137	F91-A133 HydrophobicContact CD2-CB 4.31Å; F91-A133 HydrophobicContact CE2-CB 4.48Å; M129-A133 WeakPolarHBondContact O-CB 3.42Å; M129-A133 PolarHBondContact O-N 3.49Å; A130-A133 PolarHBondContact O-N 2.89Å; N131-A133 VanDerWaalsContact C-N 3.33Å; N131-A133 PolarHBondContact O-N 3.45Å; A133-N137 WeakPolarHBondContact O-CA 3.43Å; A133-N137 VanDerWaalsContact O-CB 3.28Å; A133-N137 WeakPolarHBondContact O-CB 3.28Å; A133-N137 PolarHBondContact O-N 3.09Å; A133-N137 VanDerWaalsContact O-N 3.12Å
134	G	97.7	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-40.6	173.3	0	0	0	0	0	113.3	F91 K95 A130 N131 A132 N137	F91-G134 VanDerWaalsContact CD2-CA 3.43Å; F91-G134 WeakPolarHBondContact O-CA 3.4Å; K95-G134 WeakPolarHBondContact CG-O 3.36Å; K95-G134 PolarHBondContact N-O 3.2Å; A130-G134 PolarHBondContact O-N 3.11Å; N131-G134 CarbonylContact O-C 3.57Å; N131-G134 PolarHBondContact O-N 3.12Å; N131-G134 VanDerWaalsContact O-N 3.14Å; A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 2.96Å; G134-N137 WeakPolarHBondContact O-CB 3.21Å; G134-N137 VanDerWaalsContact O-CG 3.27Å; G134-N137 PolarHBondContact O-N 3.34Å; G134-N137 PolarHBondContact O-OD1 2.6Å
135	F	97.5	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-41.4	-178.7	-167.8	-82.6	0	0	0	112.3	G94 L97 R98 V105 Y114 N131 A132 I300	G94-F135 WeakPolarHBondContact O-CA 3.17Å; L97-F135 HydrophobicContact CB-CD2 3.71Å; L97-F135 HydrophobicContact CB-CE2 3.85Å; R98-F135 HydrophobicContact CB-CD1 4.46Å; R98-F135 HydrophobicContact CB-CD2 4.02Å; R98-F135 HydrophobicContact CB-CE2 4.25Å; R98-F135 HydrophobicContact CB-CG 4.12Å; R98-F135 VanDerWaalsContact CB-O 3.25Å; R98-F135 WeakPolarHBondContact CB-O 3.42Å; R98-F135 VanDerWaalsContact CD-O 3.26Å; R98-F135 WeakPolarHBondContact CD-O 3.37Å; R98-F135 WeakPolarHBondContact CG-O 3.05Å; V105-F135 HydrophobicContact CG2-CE1 3.65Å; V105-F135 HydrophobicContact CG2-CZ 3.56Å; Y114-F135 HydrophobicContact CD2-CD1 4.09Å; Y114-F135 AromaticContact CD2-CE1 3.86Å; Y114-F135 HydrophobicContact CD2-CE1 3.86Å; Y114-F135 HydrophobicContact CD2-CZ 4.2Å; Y114-F135 HydrophobicContact CE2-CB 4.35Å; Y114-F135 AromaticContact CE2-CD1 3.51Å; Y114-F135 HydrophobicContact CE2-CD1 3.51Å; Y114-F135 AromaticContact CE2-CD2 3.89Å; Y114-F135 HydrophobicContact CE2-CD2 3.89Å; Y114-F135 AromaticContact CE2-CE1 3.64Å; Y114-F135 HydrophobicContact CE2-CE1 3.64Å; Y114-F135 HydrophobicContact CE2-CE2 4.01Å; Y114-F135 AromaticContact CE2-CG 3.65Å; Y114-F135 HydrophobicContact CE2-CG 3.65Å; Y114-F135 AromaticContact CE2-CZ 3.89Å; Y114-F135 HydrophobicContact CE2-CZ 3.89Å; N131-F135 WeakPolarHBondContact O-CB 3.48Å; N131-F135 PolarHBondContact O-N 2.79Å; A132-F135 PolarHBondContact O-N 3.27Å; F135-I300 HydrophobicContact CE2-CD1 4.45Å; F135-I300 HydrophobicContact CZ-CD1 3.97Å
136	Y	96.5	Very high	96.2	Very high	7 Å²	7	47 Å²	47	3%	0.027	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	23.4	179.2	-69.9	-67.9	0	0	0	113	Y109 Y114 A132 Q138 S139 I153	Y109-Y136 AromaticContact CD2-CE2 3.8Å; Y109-Y136 HydrophobicContact CD2-CE2 3.8Å; Y109-Y136 AromaticContact CD2-CZ 3.98Å; Y109-Y136 HydrophobicContact CG-CE2 4.44Å; Y114-Y136 WeakPolarHBondContact CB-OH 3.42Å; Y114-Y136 AromaticContact CD1-CE2 3.78Å; Y114-Y136 HydrophobicContact CD1-CE2 3.78Å; Y114-Y136 AromaticContact CD2-CE2 3.91Å; Y114-Y136 HydrophobicContact CD2-CE2 3.91Å; Y114-Y136 AromaticContact CE1-CE2 3.93Å; Y114-Y136 HydrophobicContact CE1-CE2 3.93Å; Y114-Y136 HydrophobicContact CE2-CE2 4.05Å; Y114-Y136 AromaticContact CG-CE2 3.76Å; Y114-Y136 HydrophobicContact CG-CE2 3.76Å; Y114-Y136 AromaticContact CG-CZ 4Å; A132-Y136 PolarHBondContact O-N 3.28Å; Y136-Q138 PolarHBondContact O-N 2.86Å; Y136-S139 WeakPolarHBondContact CA-OG 3.47Å; Y136-S139 WeakPolarHBondContact CB-OG 3.3Å; Y136-S139 VanDerWaalsContact CD1-OG 3.24Å; Y136-S139 WeakPolarHBondContact CD1-OG 3.15Å; Y136-S139 VanDerWaalsContact O-CB 3.29Å; Y136-S139 WeakPolarHBondContact O-CB 3.39Å; Y136-S139 PolarHBondContact O-N 2.9Å; Y136-S139 PolarHBondContact O-OG 2.82Å; Y136-I153 HydrophobicContact CD2-CD1 3.67Å; Y136-I153 HydrophobicContact CD2-CG1 3.99Å; Y136-I153 HydrophobicContact CE2-CD1 4.01Å; Y136-I153 HydrophobicContact CG-CD1 4.4Å
137	N	94.9	Very high	96	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.16	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.6	-175.6	81.2	-37	0	0	0	114.8	F91 K95 A133 G134 N149	F91-N137 HydrophobicContact CE2-CB 4.17Å; F91-N137 HydrophobicContact CZ-CB 4.01Å; K95-N137 WeakPolarHBondContact CD-ND2 3.45Å; K95-N137 WeakPolarHBondContact CE-ND2 3.34Å; A133-N137 WeakPolarHBondContact O-CA 3.43Å; A133-N137 VanDerWaalsContact O-CB 3.28Å; A133-N137 WeakPolarHBondContact O-CB 3.28Å; A133-N137 PolarHBondContact O-N 3.09Å; A133-N137 VanDerWaalsContact O-N 3.12Å; G134-N137 WeakPolarHBondContact O-CB 3.21Å; G134-N137 VanDerWaalsContact O-CG 3.27Å; G134-N137 PolarHBondContact O-N 3.34Å; G134-N137 PolarHBondContact O-OD1 2.6Å; N137-N149 PolarHBondContact O-ND2 2.83Å
138	Q	93.2	Very high	95.7	Very high	146 Å²	146	51.7 Å²	51.7	68%	0.682	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	2.6	176.6	-73.1	176.4	-5.7	0	0	112.1	Y136	Y136-Q138 PolarHBondContact O-N 2.86Å
139	S	93.1	Very high	95.4	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.063	33%	0.326	C	S	.	.	S	Bend	trans	-74.4	150.6	179.5	-57.5	0	0	0	0	111.1	S107 Y136 S141 N149	S107-S139 VanDerWaalsContact O-CB 3.28Å; S107-S139 WeakPolarHBondContact O-CB 3.44Å; S107-S139 PolarHBondContact O-OG 2.79Å; Y136-S139 WeakPolarHBondContact CA-OG 3.47Å; Y136-S139 WeakPolarHBondContact CB-OG 3.3Å; Y136-S139 VanDerWaalsContact CD1-OG 3.24Å; Y136-S139 WeakPolarHBondContact CD1-OG 3.15Å; Y136-S139 VanDerWaalsContact O-CB 3.29Å; Y136-S139 WeakPolarHBondContact O-CB 3.39Å; Y136-S139 PolarHBondContact O-N 2.9Å; Y136-S139 PolarHBondContact O-OG 2.82Å; S139-S141 PolarHBondContact O-N 2.97Å; S139-N149 PolarHBondContact O-OD1 3.12Å
140	P	91.3	Very high	95.2	Very high	96 Å²	96	55.7 Å²	55.7	62%	0.623	32%	0.323	S	S	*	.			trans	-56.9	126.4	169.9	-23.4	33.7	0	0	0	111
141	S	93.4	Very high	94.8	Very high	15 Å²	15	58.8 Å²	58.8	11%	0.105	34%	0.335	C	S	.	.			trans	-105.7	140.1	177.9	176	0	0	0	0	111.8	S139 L143 S144 I148 W150	S139-S141 PolarHBondContact O-N 2.97Å; S141-L143 PolarHBondContact O-N 3.14Å; S141-L143 WeakPolarHBondContact OG-CB 3.47Å; S141-L143 PolarHBondContact OG-N 3.16Å; S141-S144 WeakPolarHBondContact O-CB 3.35Å; S141-S144 PolarHBondContact O-N 3.08Å; S141-S144 PolarHBondContact O-OG 2.99Å; S141-I148 WeakPolarHBondContact CB-O 3.35Å; S141-I148 PolarHBondContact OG-O 3.49Å; S141-I148 VanDerWaalsContact OG-O 3.09Å; S141-W150 WeakPolarHBondContact CB-O 3.42Å; S141-W150 PolarHBondContact OG-N 2.9Å; S141-W150 PolarHBondContact OG-O 2.84Å
142	P	92.6	Very high	94.6	Very high	91 Å²	91	62 Å²	62	59%	0.591	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.8	166.7	29.8	-35	0	0	0	112.6	F151	P142-F151 HydrophobicContact CG-CD2 4.11Å
143	L	94.9	Very high	94.5	Very high	55 Å²	55	63 Å²	63	29%	0.288	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.2	178.6	-53.1	176.4	0	0	0	112.9	S141 A145 Y146 I148 W150	S141-L143 PolarHBondContact O-N 3.14Å; S141-L143 WeakPolarHBondContact OG-CB 3.47Å; S141-L143 PolarHBondContact OG-N 3.16Å; L143-A145 PolarHBondContact O-N 2.7Å; L143-A145 VanDerWaalsContact O-N 3.14Å; L143-Y146 HydrophobicContact CD2-CD2 4.38Å; L143-Y146 WeakPolarHBondContact O-CA 3.36Å; L143-Y146 WeakPolarHBondContact O-CB 3.42Å; L143-Y146 PolarHBondContact O-N 2.83Å; L143-I148 CarbonylContact C-O 3.59Å; L143-I148 VanDerWaalsContact C-O 3.23Å; L143-I148 HydrophobicContact CB-CB 3.81Å; L143-I148 HydrophobicContact CB-CG2 4.1Å; L143-I148 HydrophobicContact CD1-CB 4.41Å; L143-I148 HydrophobicContact CD1-CG2 3.91Å; L143-I148 PolarHBondContact O-N 2.88Å; L143-W150 HydrophobicContact CD1-CE3 3.87Å; L143-W150 HydrophobicContact CD1-CZ3 4.37Å
144	S	94.2	Very high	94.4	Very high	66 Å²	66	64.7 Å²	64.7	46%	0.462	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.3	-32	-180	-66.7	0	0	0	0	113.2	S141 Y146 G147 I148	S141-S144 WeakPolarHBondContact O-CB 3.35Å; S141-S144 PolarHBondContact O-N 3.08Å; S141-S144 PolarHBondContact O-OG 2.99Å; S144-Y146 PolarHBondContact O-N 3.01Å; S144-G147 PolarHBondContact O-N 2.69Å; S144-I148 PolarHBondContact N-O 3.36Å
145	A	96.3	Very high	94.4	Very high	98 Å²	98	66 Å²	66	81%	0.81	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.8	175.5	0	0	0	0	0	113.5	L143	L143-A145 PolarHBondContact O-N 2.7Å; L143-A145 VanDerWaalsContact O-N 3.14Å
146	Y	96.2	Very high	94.3	Very high	182 Å²	182	68 Å²	68	71%	0.714	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-100.7	7.7	175.9	-54.7	-79	0	0	0	112.7	L143 S144 I148	L143-Y146 HydrophobicContact CD2-CD2 4.38Å; L143-Y146 WeakPolarHBondContact O-CA 3.36Å; L143-Y146 WeakPolarHBondContact O-CB 3.42Å; L143-Y146 PolarHBondContact O-N 2.83Å; S144-Y146 PolarHBondContact O-N 3.01Å; Y146-I148 VanDerWaalsContact C-N 3.29Å; Y146-I148 PolarHBondContact O-N 2.82Å
147	G	94.4	Very high	94.3	Very high	72 Å²	72	70.4 Å²	70.4	74%	0.742	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	14.2	-176.6	0	0	0	0	0	114.5	S144	S144-G147 PolarHBondContact O-N 2.69Å
148	I	93.4	Very high	94.3	Very high	84 Å²	84	74.7 Å²	74.7	43%	0.431	42%	0.42	S	S	.	.			trans	-105.3	113.3	-178.6	-60.9	169.6	0	0	0	108.8	S141 L143 S144 Y146 W150	S141-I148 WeakPolarHBondContact CB-O 3.35Å; S141-I148 PolarHBondContact OG-O 3.49Å; S141-I148 VanDerWaalsContact OG-O 3.09Å; L143-I148 CarbonylContact C-O 3.59Å; L143-I148 VanDerWaalsContact C-O 3.23Å; L143-I148 HydrophobicContact CB-CB 3.81Å; L143-I148 HydrophobicContact CB-CG2 4.1Å; L143-I148 HydrophobicContact CD1-CB 4.41Å; L143-I148 HydrophobicContact CD1-CG2 3.91Å; L143-I148 PolarHBondContact O-N 2.88Å; S144-I148 PolarHBondContact N-O 3.36Å; Y146-I148 VanDerWaalsContact C-N 3.29Å; Y146-I148 PolarHBondContact O-N 2.82Å; I148-W150 HydrophobicContact CG2-CB 3.89Å; I148-W150 PolarHBondContact O-N 2.76Å
149	N	91.3	Very high	94.4	Very high	74 Å²	74	71.4 Å²	71.4	40%	0.396	41%	0.411	S	S	.	.			trans	-95.5	72.1	176.7	-158.1	37.5	0	0	0	112	N137 S139	N137-N149 PolarHBondContact O-ND2 2.83Å; S139-N149 PolarHBondContact O-OD1 3.12Å
150	W	94.2	Very high	94.4	Very high	113 Å²	113	75.4 Å²	75.4	43%	0.428	43%	0.429	S	S	.	.			trans	-144.4	147.1	-176.9	176.5	78.7	0	0	0	112.1	S141 L143 I148 P152	S141-W150 WeakPolarHBondContact CB-O 3.42Å; S141-W150 PolarHBondContact OG-N 2.9Å; S141-W150 PolarHBondContact OG-O 2.84Å; L143-W150 HydrophobicContact CD1-CE3 3.87Å; L143-W150 HydrophobicContact CD1-CZ3 4.37Å; I148-W150 HydrophobicContact CG2-CB 3.89Å; I148-W150 PolarHBondContact O-N 2.76Å; W150-P152 HydrophobicContact CH2-CB 3.61Å; W150-P152 HydrophobicContact CH2-CG 4.32Å; W150-P152 HydrophobicContact CZ2-CB 3.92Å; W150-P152 HydrophobicContact CZ3-CB 4.2Å; W150-P152 HydrophobicContact CZ3-CG 4.43Å
151	F	91.7	Very high	94.5	Very high	76 Å²	76	77.1 Å²	77.1	33%	0.333	43%	0.432	S	S	.	.			trans	-131.8	135.1	171	-175	-87.2	0	0	0	108.5	Y109 P142 I153	Y109-F151 HydrophobicContact CD1-CD1 4.28Å; Y109-F151 AromaticContact CD1-CE1 3.84Å; Y109-F151 HydrophobicContact CD1-CE1 3.84Å; P142-F151 HydrophobicContact CG-CD2 4.11Å; F151-I153 HydrophobicContact CD1-CD1 3.91Å; F151-I153 PolarHBondContact O-N 2.95Å
152	P	93.6	Very high	94.5	Very high	69 Å²	69	79.6 Å²	79.6	45%	0.448	45%	0.446	S	S	.	.			trans	-65.2	121.8	178.7	25.2	-32.9	0	0	0	111.2	W150	W150-P152 HydrophobicContact CH2-CB 3.61Å; W150-P152 HydrophobicContact CH2-CG 4.32Å; W150-P152 HydrophobicContact CZ2-CB 3.92Å; W150-P152 HydrophobicContact CZ3-CB 4.2Å; W150-P152 HydrophobicContact CZ3-CG 4.43Å
153	I	95.9	Very high	94.7	Very high	20 Å²	20	75.4 Å²	75.4	10%	0.103	42%	0.419	C	S	.	.			trans	-106.5	126.1	176.7	-52.5	-64.9	0	0	0	109	Y109 Y114 V116 A132 Y136 F151 V155	Y109-I153 HydrophobicContact CD1-CD1 3.88Å; Y109-I153 HydrophobicContact CD2-CD1 3.48Å; Y109-I153 VanDerWaalsContact CD2-CD1 3.48Å; Y109-I153 HydrophobicContact CD2-CG2 4.17Å; Y109-I153 HydrophobicContact CE1-CD1 4.49Å; Y109-I153 HydrophobicContact CE2-CD1 4.15Å; Y109-I153 HydrophobicContact CE2-CG2 3.87Å; Y109-I153 HydrophobicContact CG-CD1 3.31Å; Y114-I153 HydrophobicContact CD1-CG2 4.14Å; Y114-I153 HydrophobicContact CE1-CG2 4.02Å; V116-I153 HydrophobicContact CG2-CG2 4.43Å; A132-I153 HydrophobicContact CB-CB 3.78Å; A132-I153 HydrophobicContact CB-CG1 3.96Å; A132-I153 HydrophobicContact CB-CG2 3.98Å; Y136-I153 HydrophobicContact CD2-CD1 3.67Å; Y136-I153 HydrophobicContact CD2-CG1 3.99Å; Y136-I153 HydrophobicContact CE2-CD1 4.01Å; Y136-I153 HydrophobicContact CG-CD1 4.4Å; F151-I153 HydrophobicContact CD1-CD1 3.91Å; F151-I153 PolarHBondContact O-N 2.95Å; I153-V155 PolarHBondContact O-N 3.38Å
154	P	95.9	Very high	94.7	Very high	56 Å²	56	73.2 Å²	73.2	36%	0.364	41%	0.408	S	S	.	.			trans	-60.1	133.2	177.1	-23.9	33.7	0	0	0	112.7	Y109	Y109-P154 WeakPolarHBondContact OH-CD 3.43Å
155	V	97.7	Very high	94.8	Very high	28 Å²	28	71.6 Å²	71.6	17%	0.17	39%	0.394	C	S	.	.			trans	-114.9	122.9	168.2	178.6	0	0	0	0	107.8	V116 L125 A128 M129 I153	V116-V155 HydrophobicContact CB-CG2 4.43Å; V116-V155 HydrophobicContact CG1-CG1 4.22Å; V116-V155 HydrophobicContact CG1-CG2 4.1Å; L125-V155 HydrophobicContact CD2-CG1 3.91Å; A128-V155 HydrophobicContact CB-CG1 3.8Å; A128-V155 HydrophobicContact CB-CG2 3.89Å; M129-V155 HydrophobicContact CG-CG2 3.84Å; I153-V155 PolarHBondContact O-N 3.38Å
156	H	96.1	Very high	94.8	Very high	41 Å²	41	67 Å²	67	19%	0.19	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-99.5	130.8	-176.8	-60.2	-66.7	0	0	0	111.9	H115 V116 R117 S118 R290	H115-H156 AromaticContact CE1-CD2 3.11Å; H115-H156 PolarHBondContact CE1-CD2 3.19Å; H115-H156 AromaticContact CE1-NE2 3.58Å; H115-H156 AromaticContact ND1-CD2 3.79Å; H115-H156 AromaticContact NE2-CD2 3.58Å; V116-H156 PolarHBondContact O-CD2 3.14Å; V116-H156 PolarHBondContact O-N 2.85Å; R117-H156 CarbonylContact C-O 3.52Å; R117-H156 WeakPolarHBondContact CA-O 3.35Å; R117-H156 WeakPolarHBondContact CD-O 3.45Å; R117-H156 PolarHBondContact NH1-O 3.48Å; S118-H156 PolarHBondContact N-O 3.31Å; H156-R290 PolarHBondContact ND1-NH2 3.47Å; H156-R290 VanDerWaalsContact ND1-NH2 3.12Å
157	T	96.2	Very high	94.4	Very high	57 Å²	57	58.8 Å²	58.8	35%	0.35	33%	0.326	S	S	.	.			trans	-117.6	161	177.5	-165.3	0	0	0	0	112.1	D120	D120-T157 WeakPolarHBondContact CA-OG1 3.34Å; D120-T157 WeakPolarHBondContact CB-OG1 3.45Å; D120-T157 PolarHBondContact OD1-OG1 2.94Å
158	K	94.8	Very high	94.2	Very high	120 Å²	120	57.3 Å²	57.3	52%	0.522	30%	0.303	S	S	.	.			trans	-127.6	145.6	162.2	-74.5	-79.5	-170.7	170.7	0	106.7	D120 Q160 D163	D120-K158 WeakPolarHBondContact CB-O 3.07Å; K158-Q160 PolarHBondContact O-N 2.94Å; K158-D163 HydrophobicContact CB-CB 4.08Å
159	P	95.8	Very high	94.1	Very high	77 Å²	77	53.3 Å²	53.3	50%	0.5	28%	0.283	S	S	.	.			trans	-52.6	136.9	173.8	-24.6	33.8	0	0	0	111.2	L161 T162 D163	P159-L161 PolarHBondContact O-N 3.42Å; P159-L161 VanDerWaalsContact O-N 3.1Å; P159-T162 PolarHBondContact O-N 3.49Å; P159-T162 PolarHBondContact O-OG1 3.31Å; P159-D163 PolarHBondContact O-N 2.82Å
160	Q	92.9	Very high	94.3	Very high	94 Å²	94	53.3 Å²	53.3	44%	0.439	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-49.4	-43.1	-174.1	-59.1	-177.8	24.6	0	0	112.7	D120 K158 T162 D163 V168 A169	D120-Q160 HydrophobicContact CB-CG 3.89Å; D120-Q160 PolarHBondContact O-NE2 3.21Å; K158-Q160 PolarHBondContact O-N 2.94Å; Q160-T162 PolarHBondContact O-N 3.33Å; Q160-D163 PolarHBondContact O-N 2.98Å; Q160-V168 HydrophobicContact CB-CG2 4.26Å; Q160-V168 CarbonylContact O-C 3.58Å; Q160-A169 WeakPolarHBondContact O-CA 3.37Å; Q160-A169 PolarHBondContact O-N 3.03Å
161	L	92.7	Very high	94.3	Very high	131 Å²	131	48 Å²	48	69%	0.686	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.2	-17	-179.8	-63.2	178	0	0	0	114.9	P159 P170	P159-L161 PolarHBondContact O-N 3.42Å; P159-L161 VanDerWaalsContact O-N 3.1Å; L161-P170 HydrophobicContact CD2-CG 3.81Å
162	T	94.1	Very high	94.5	Very high	67 Å²	67	47.3 Å²	47.3	41%	0.411	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-123.9	2	-175.2	61.7	0	0	0	0	113.1	P159 Q160 T164	P159-T162 PolarHBondContact O-N 3.49Å; P159-T162 PolarHBondContact O-OG1 3.31Å; Q160-T162 PolarHBondContact O-N 3.33Å; T162-T164 PolarHBondContact O-N 3.48Å; T162-T164 VanDerWaalsContact O-N 3.14Å
163	D	95.8	Very high	94.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.258	C	S	.	.			trans	-90.1	76.5	-176.9	-167.4	2.3	0	0	0	111	R117 K158 P159 Q160 L165 L166 V168 A169	R117-D163 IonicContact CZ-OD1 3.57Å; R117-D163 IonicContact CZ-OD2 3.91Å; R117-D163 IonicContact NH1-OD2 3.98Å; R117-D163 IonicContact NH2-OD1 3.52Å; R117-D163 PolarHBondContact NH2-OD1 3.19Å; R117-D163 IonicContact NH2-OD2 3.63Å; R117-D163 PolarHBondContact NH2-OD2 2.98Å; K158-D163 HydrophobicContact CB-CB 4.08Å; P159-D163 PolarHBondContact O-N 2.82Å; Q160-D163 PolarHBondContact O-N 2.98Å; D163-L165 VanDerWaalsContact C-N 3.27Å; D163-L165 PolarHBondContact OD1-N 3.41Å; D163-L166 PolarHBondContact OD1-N 3.32Å; D163-V168 HydrophobicContact CB-CG2 3.61Å; D163-V168 PolarHBondContact O-N 2.6Å; D163-A169 PolarHBondContact O-N 3.27Å
164	T	95.9	Very high	94.6	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.5	176.2	63	0	0	0	0	112.8	T162 A169 V269 F398 Y399	T162-T164 PolarHBondContact O-N 3.48Å; T162-T164 VanDerWaalsContact O-N 3.14Å; T164-A169 HydrophobicContact CG2-CB 3.94Å; T164-V269 WeakPolarHBondContact O-CB 3.44Å; T164-F398 HydrophobicContact CG2-CD1 3.43Å; T164-F398 VanDerWaalsContact CG2-CD1 3.43Å; T164-F398 HydrophobicContact CG2-CE1 3.49Å; T164-F398 VanDerWaalsContact CG2-CE1 3.49Å; T164-F398 HydrophobicContact CG2-CG 4.25Å; T164-F398 HydrophobicContact CG2-CZ 4.31Å; T164-Y399 HydrophobicContact CG2-CE1 3.99Å; T164-Y399 HydrophobicContact CG2-CE2 4.13Å
165	L	95.8	Very high	94.6	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-40.7	-179	-177.8	72.7	0	0	0	111.6	R117 D163 V269 F270 T273 Y303	R117-L165 HydrophobicContact CG-CD2 4.42Å; D163-L165 VanDerWaalsContact C-N 3.27Å; D163-L165 PolarHBondContact OD1-N 3.41Å; L165-V269 HydrophobicContact CD1-CG1 4.37Å; L165-F270 WeakPolarHBondContact O-CB 3.37Å; L165-T273 HydrophobicContact CD1-CG2 4.22Å; L165-T273 WeakPolarHBondContact CD1-OG1 3.44Å; L165-Y303 HydrophobicContact CD2-CE1 4.08Å
166	L	96.4	Very high	94.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	29	-179.8	-61.7	-179.9	0	0	0	112	L52 R117 T119 D163 V168 Y303	L52-L166 HydrophobicContact CD1-CD2 4.44Å; R117-L166 HydrophobicContact CG-CD1 4.03Å; T119-L166 HydrophobicContact CG2-CB 3.65Å; T119-L166 HydrophobicContact CG2-CD1 3.81Å; T119-L166 HydrophobicContact CG2-CG 4.38Å; D163-L166 PolarHBondContact OD1-N 3.32Å; L166-V168 PolarHBondContact O-N 3.31Å; L166-Y303 HydrophobicContact CD2-CD1 3.89Å; L166-Y303 HydrophobicContact CD2-CG 4.29Å
167	G	87.3	Confident	94.5	Very high	8 Å²	8	46.2 Å²	46.2	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	0.8	167.9	0	0	0	0	0	117.7	R174	G167-R174 PolarHBondContact O-NH1 3.13Å
168	V	89.8	Confident	94.6	Very high	41 Å²	41	44.2 Å²	44.2	25%	0.248	24%	0.241	C	C	.	.			trans	-86.4	-9	-175	-61.7	0	0	0	0	114.1	T119 Q160 D163 L166	T119-V168 HydrophobicContact CG2-CG1 3.74Å; T119-V168 HydrophobicContact CG2-CG2 4.42Å; Q160-V168 HydrophobicContact CB-CG2 4.26Å; Q160-V168 CarbonylContact O-C 3.58Å; D163-V168 HydrophobicContact CB-CG2 3.61Å; D163-V168 PolarHBondContact O-N 2.6Å; L166-V168 PolarHBondContact O-N 3.31Å
169	A	93.2	Very high	94.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	23%	0.233	C	C	.	.	S	Bend	trans	-62.6	139.7	172.7	0	0	0	0	0	111.2	Q160 D163 T164 C171 R174 F398	Q160-A169 WeakPolarHBondContact O-CA 3.37Å; Q160-A169 PolarHBondContact O-N 3.03Å; D163-A169 PolarHBondContact O-N 3.27Å; T164-A169 HydrophobicContact CG2-CB 3.94Å; A169-C171 PolarHBondContact O-N 3.12Å; A169-R174 PolarHBondContact O-NH1 3.28Å; A169-F398 HydrophobicContact CB-CE1 4Å; A169-F398 HydrophobicContact CB-CZ 4.08Å
170	P	93.8	Very high	94.8	Very high	74 Å²	74	42.1 Å²	42.1	48%	0.481	23%	0.23	S	C	.	.			trans	-57.2	137.3	175.9	-26	34.4	0	0	0	112.4	L161	L161-P170 HydrophobicContact CD2-CG 3.81Å
171	C	95.9	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.			trans	-144.4	87.1	174.8	-172.1	0	0	0	0	110.5	A169 Y173 R174 D175 F398 C402	A169-C171 PolarHBondContact O-N 3.12Å; C171-Y173 PolarHBondContact O-N 2.67Å; C171-Y173 VanDerWaalsContact O-N 3.11Å; C171-R174 HydrophobicContact CB-CB 3.83Å; C171-R174 WeakPolarHBondContact O-CB 3.21Å; C171-R174 PolarHBondContact O-N 2.9Å; C171-D175 VanDerWaalsContact O-CG 3.31Å; C171-D175 PolarHBondContact O-N 3.15Å; C171-F398 HydrophobicContact CB-CE2 4.45Å; C171-F398 HydrophobicContact CB-CZ 4.1Å; C171-C402 HydrophobicContact CB-CB 3.74Å; C171-C402 WeakPolarHBondContact CB-SG 2.95Å; C171-C402 WeakPolarHBondContact SG-CB 3.49Å; C171-C402 CovalentContact SG-SG 2.04Å; C171-C402 PolarHBondContact SG-SG 2.94Å
172	P	95.6	Very high	95.3	Very high	62 Å²	62	34.3 Å²	34.3	40%	0.403	19%	0.19	S	C	.	.	H	α-helix	trans	-48.8	-37.8	176.7	-30.5	33.2	0	0	0	113.9	D175 S176 C402	P172-D175 PolarHBondContact O-N 2.87Å; P172-S176 PolarHBondContact O-N 3.44Å; P172-C402 WeakPolarHBondContact CD-O 3.35Å
173	Y	95.4	Very high	95.5	Very high	52 Å²	52	34.1 Å²	34.1	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-48.9	177.4	-179	-135.3	0	0	0	112.2	C171 D175 S176 L177 L265 E401 Q406	C171-Y173 PolarHBondContact O-N 2.67Å; C171-Y173 VanDerWaalsContact O-N 3.11Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; Y173-D175 PolarHBondContact O-N 2.81Å; Y173-S176 WeakPolarHBondContact O-CB 3.34Å; Y173-S176 PolarHBondContact O-N 3.45Å; Y173-S176 PolarHBondContact O-OG 3.03Å; Y173-L177 HydrophobicContact CD2-CG 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 4.06Å; Y173-L177 HydrophobicContact CE2-CD1 4.2Å; Y173-L177 HydrophobicContact CE2-CD2 4Å; Y173-L177 HydrophobicContact CE2-CG 4.02Å; Y173-L177 WeakPolarHBondContact O-CG 3.22Å; Y173-L177 PolarHBondContact O-N 2.97Å; Y173-L265 HydrophobicContact CD1-CD1 3.7Å; Y173-L265 HydrophobicContact CE1-CD1 4.05Å; Y173-E401 WeakPolarHBondContact CB-O 3.49Å; Y173-Q406 HydrophobicContact CD2-CG 4.24Å
174	R	95.7	Very high	95.6	Very high	20 Å²	20	35.3 Å²	35.3	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-47.6	173.4	176.2	-158.5	59.1	-138.8	-6.6	110.9	G167 A169 C171 S176 L177 Q178 I262 L265 E266	G167-R174 PolarHBondContact O-NH1 3.13Å; A169-R174 PolarHBondContact O-NH1 3.28Å; C171-R174 HydrophobicContact CB-CB 3.83Å; C171-R174 WeakPolarHBondContact O-CB 3.21Å; C171-R174 PolarHBondContact O-N 2.9Å; R174-S176 PolarHBondContact O-N 3.33Å; R174-L177 WeakPolarHBondContact O-CB 3.37Å; R174-L177 PolarHBondContact O-N 3.18Å; R174-Q178 HydrophobicContact CG-CG 4.34Å; R174-Q178 WeakPolarHBondContact O-CG 3.27Å; R174-Q178 PolarHBondContact O-N 3.14Å; R174-I262 HydrophobicContact CG-CG2 4.49Å; R174-L265 HydrophobicContact CB-CB 4.37Å; R174-L265 HydrophobicContact CB-CD1 3.9Å; R174-E266 WeakPolarHBondContact CD-OE1 3.2Å; R174-E266 WeakPolarHBondContact CD-OE2 3.47Å; R174-E266 HydrophobicContact CG-CG 4.39Å; R174-E266 IonicContact CZ-OE1 3.77Å; R174-E266 IonicContact CZ-OE2 2.89Å; R174-E266 IonicContact NE-OE1 3.91Å; R174-E266 IonicContact NE-OE2 3.91Å; R174-E266 IonicContact NH1-OE1 2.82Å; R174-E266 IonicContact NH1-OE2 3.3Å; R174-E266 PolarHBondContact NH1-OE2 2.91Å
175	D	95.5	Very high	95.8	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-36.1	-177.6	-59.5	-15.4	0	0	0	110.8	C171 P172 Y173 Q178 S179	C171-D175 VanDerWaalsContact O-CG 3.31Å; C171-D175 PolarHBondContact O-N 3.15Å; P172-D175 PolarHBondContact O-N 2.87Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; Y173-D175 PolarHBondContact O-N 2.81Å; D175-Q178 PolarHBondContact O-N 3.05Å; D175-S179 PolarHBondContact O-N 3.1Å
176	S	96	Very high	95.9	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-40.2	172.6	85	0	0	0	0	113	P172 Y173 R174 S179 K180	P172-S176 PolarHBondContact O-N 3.44Å; Y173-S176 WeakPolarHBondContact O-CB 3.34Å; Y173-S176 PolarHBondContact O-N 3.45Å; Y173-S176 PolarHBondContact O-OG 3.03Å; R174-S176 PolarHBondContact O-N 3.33Å; S176-S179 PolarHBondContact O-N 3.4Å; S176-K180 VanDerWaalsContact O-CG 3.3Å; S176-K180 WeakPolarHBondContact O-CG 3.16Å; S176-K180 PolarHBondContact O-N 2.86Å
177	L	96.8	Very high	96	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-44.1	176.4	-66.6	176	0	0	0	110.5	Y173 R174 K180 Q181 D261 I262 L265	Y173-L177 HydrophobicContact CD2-CG 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 4.06Å; Y173-L177 HydrophobicContact CE2-CD1 4.2Å; Y173-L177 HydrophobicContact CE2-CD2 4Å; Y173-L177 HydrophobicContact CE2-CG 4.02Å; Y173-L177 WeakPolarHBondContact O-CG 3.22Å; Y173-L177 PolarHBondContact O-N 2.97Å; R174-L177 WeakPolarHBondContact O-CB 3.37Å; R174-L177 PolarHBondContact O-N 3.18Å; L177-K180 WeakPolarHBondContact O-CB 3.39Å; L177-K180 PolarHBondContact O-N 3.14Å; L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.18Å; L177-D261 HydrophobicContact CD1-CB 3.75Å; L177-I262 HydrophobicContact CB-CD1 4.09Å; L177-I262 HydrophobicContact CB-CG1 3.71Å; L177-I262 HydrophobicContact CD1-CG1 4.31Å; L177-L265 HydrophobicContact CD1-CD1 3.98Å
178	Q	97.5	Very high	96.5	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-47.4	174.6	-68.2	-174.6	-8.6	0	0	111	R174 D175 K180 Q181 M182 K255 I262 Y312	R174-Q178 HydrophobicContact CG-CG 4.34Å; R174-Q178 WeakPolarHBondContact O-CG 3.27Å; R174-Q178 PolarHBondContact O-N 3.14Å; D175-Q178 PolarHBondContact O-N 3.05Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 2.98Å; Q178-Q181 WeakPolarHBondContact O-CB 3.26Å; Q178-Q181 PolarHBondContact O-N 3.39Å; Q178-Q181 VanDerWaalsContact O-N 3.14Å; Q178-M182 VanDerWaalsContact O-CG 3.3Å; Q178-M182 WeakPolarHBondContact O-CG 3.47Å; Q178-M182 PolarHBondContact O-N 2.93Å; Q178-K255 HydrophobicContact CB-CG 4.11Å; Q178-K255 HydrophobicContact CG-CG 4.26Å; Q178-K255 WeakPolarHBondContact CG-O 3.5Å; Q178-I262 HydrophobicContact CG-CD1 3.97Å; Q178-I262 HydrophobicContact CG-CG1 4.39Å; Q178-I262 HydrophobicContact CG-CG2 4.19Å; Q178-Y312 PolarHBondContact NE2-OH 3.33Å; Q178-Y312 VanDerWaalsContact NE2-OH 3.14Å
179	S	97.3	Very high	96.9	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-43.7	176.5	-161.7	0	0	0	0	111.7	D175 S176 Q181 M182 D183	D175-S179 PolarHBondContact O-N 3.1Å; S176-S179 PolarHBondContact O-N 3.4Å; S179-Q181 VanDerWaalsContact C-N 3.28Å; S179-Q181 PolarHBondContact O-N 3.01Å; S179-M182 CarbonylContact O-C 3.52Å; S179-M182 WeakPolarHBondContact O-CA 3.4Å; S179-M182 WeakPolarHBondContact O-CB 3.37Å; S179-M182 PolarHBondContact O-N 3.35Å; S179-M182 VanDerWaalsContact O-N 3.09Å; S179-D183 WeakPolarHBondContact O-CB 3.2Å; S179-D183 PolarHBondContact O-N 3.31Å; S179-D183 VanDerWaalsContact O-OD2 3.1Å; S179-D183 PolarHBondContact OG-OD2 2.91Å; S179-D183 VanDerWaalsContact OG-OD2 3.08Å
180	K	97.6	Very high	97.2	Very high	103 Å²	103	47.8 Å²	47.8	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-37.5	176.2	-75.4	171.6	-178.7	174.7	0	112.6	S176 L177 Q178 D183 S184	S176-K180 VanDerWaalsContact O-CG 3.3Å; S176-K180 WeakPolarHBondContact O-CG 3.16Å; S176-K180 PolarHBondContact O-N 2.86Å; L177-K180 WeakPolarHBondContact O-CB 3.39Å; L177-K180 PolarHBondContact O-N 3.14Å; Q178-K180 VanDerWaalsContact C-N 3.33Å; Q178-K180 PolarHBondContact O-N 2.98Å; K180-D183 PolarHBondContact O-N 2.66Å; K180-S184 PolarHBondContact O-N 3.16Å; K180-S184 VanDerWaalsContact O-N 3.07Å
181	Q	98.2	Very high	97.4	Very high	53 Å²	53	46 Å²	46	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-68.4	-41.9	175.1	-64.1	-59.2	-43.9	0	0	111.9	L177 Q178 S179 D183 S184 S187 K254 S258 I262	L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.18Å; Q178-Q181 WeakPolarHBondContact O-CB 3.26Å; Q178-Q181 PolarHBondContact O-N 3.39Å; Q178-Q181 VanDerWaalsContact O-N 3.14Å; S179-Q181 VanDerWaalsContact C-N 3.28Å; S179-Q181 PolarHBondContact O-N 3.01Å; Q181-D183 VanDerWaalsContact C-N 3.3Å; Q181-D183 PolarHBondContact O-N 3.36Å; Q181-S184 WeakPolarHBondContact O-CB 3.35Å; Q181-S184 PolarHBondContact O-N 3.2Å; Q181-S184 PolarHBondContact O-OG 3.02Å; Q181-S187 PolarHBondContact O-OG 2.79Å; Q181-K254 WeakPolarHBondContact CB-O 3.46Å; Q181-S258 VanDerWaalsContact CD-OG 3.28Å; Q181-S258 VanDerWaalsContact CG-OG 3.3Å; Q181-S258 WeakPolarHBondContact CG-OG 3.4Å; Q181-S258 PolarHBondContact OE1-OG 2.91Å; Q181-I262 HydrophobicContact CG-CD1 3.92Å
182	M	98.3	Very high	97.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-33.4	175.6	-63.8	-56.9	-65.9	0	0	111.9	Q178 S179 S187 R212 H213 Y251 K254 K255	Q178-M182 VanDerWaalsContact O-CG 3.3Å; Q178-M182 WeakPolarHBondContact O-CG 3.47Å; Q178-M182 PolarHBondContact O-N 2.93Å; S179-M182 CarbonylContact O-C 3.52Å; S179-M182 WeakPolarHBondContact O-CA 3.4Å; S179-M182 WeakPolarHBondContact O-CB 3.37Å; S179-M182 PolarHBondContact O-N 3.35Å; S179-M182 VanDerWaalsContact O-N 3.09Å; M182-S187 WeakPolarHBondContact O-CB 3.43Å; M182-R212 HydrophobicContact CE-CB 4.11Å; M182-R212 HydrophobicContact CE-CG 4.44Å; M182-R212 WeakPolarHBondContact CE-O 3.45Å; M182-R212 WeakPolarHBondContact O-CD 3.31Å; M182-R212 PolarHBondContact O-NE 3.13Å; M182-H213 VanDerWaalsContact CB-CE1 3.42Å; M182-H213 WeakPolarHBondContact CB-CE1 3.34Å; M182-Y251 HydrophobicContact CE-CD1 3.47Å; M182-Y251 VanDerWaalsContact CE-CD1 3.47Å; M182-Y251 HydrophobicContact CE-CE1 4.28Å; M182-Y251 HydrophobicContact CE-CG 3.88Å; M182-Y251 HydrophobicContact SD-CD1 4.08Å; M182-K254 HydrophobicContact SD-CB 4.18Å; M182-K255 HydrophobicContact CG-CB 4.5Å; M182-K255 HydrophobicContact CG-CG 4.49Å; M182-K255 HydrophobicContact SD-CB 3.85Å; M182-K255 HydrophobicContact SD-CG 4.4Å
183	D	98.2	Very high	97.7	Very high	63 Å²	63	56.6 Å²	56.6	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.4	179.7	-62.9	-42.8	0	0	0	113.9	S179 K180 Q181 I188 R212 H213	S179-D183 WeakPolarHBondContact O-CB 3.2Å; S179-D183 PolarHBondContact O-N 3.31Å; S179-D183 VanDerWaalsContact O-OD2 3.1Å; S179-D183 PolarHBondContact OG-OD2 2.91Å; S179-D183 VanDerWaalsContact OG-OD2 3.08Å; K180-D183 PolarHBondContact O-N 2.66Å; Q181-D183 VanDerWaalsContact C-N 3.3Å; Q181-D183 PolarHBondContact O-N 3.36Å; D183-I188 WeakPolarHBondContact O-CD1 3.34Å; D183-R212 IonicContact OD1-CZ 2.85Å; D183-R212 IonicContact OD1-NE 2.86Å; D183-R212 PolarHBondContact OD1-NE 2.96Å; D183-R212 IonicContact OD1-NH2 3.41Å; D183-R212 PolarHBondContact OD1-NH2 3.18Å; D183-H213 IonicContact OD1-CE1 3.74Å; D183-H213 PolarHBondContact OD1-CE1 2.96Å; D183-H213 IonicContact OD1-NE2 3.28Å; D183-H213 PolarHBondContact OD1-NE2 2.59Å; D183-H213 IonicContact OD2-CE1 2.92Å; D183-H213 IonicContact OD2-NE2 3.08Å
184	S	98.3	Very high	97.9	Very high	29 Å²	29	55.2 Å²	55.2	20%	0.203	28%	0.28	C	S	.	.	S	Bend	trans	-62.3	152.4	175.3	73	0	0	0	0	111.8	K180 Q181 S186 S187 I188	K180-S184 PolarHBondContact O-N 3.16Å; K180-S184 VanDerWaalsContact O-N 3.07Å; Q181-S184 WeakPolarHBondContact O-CB 3.35Å; Q181-S184 PolarHBondContact O-N 3.2Å; Q181-S184 PolarHBondContact O-OG 3.02Å; S184-S186 PolarHBondContact O-N 3.06Å; S184-S186 PolarHBondContact OG-OG 3.2Å; S184-S186 VanDerWaalsContact OG-OG 3.04Å; S184-S187 WeakPolarHBondContact O-CA 3.21Å; S184-S187 WeakPolarHBondContact O-CB 3.45Å; S184-S187 PolarHBondContact O-N 3.47Å; S184-S187 PolarHBondContact OG-N 2.85Å; S184-S187 PolarHBondContact OG-OG 2.83Å; S184-S187 VanDerWaalsContact OG-OG 3.13Å; S184-I188 PolarHBondContact O-N 3.29Å
185	Q	98.4	Very high	98	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-53.1	-42.6	178.8	-175.8	60.2	27.1	0	0	112.2	S187 I188 E189	Q185-S187 VanDerWaalsContact C-N 3.28Å; Q185-S187 PolarHBondContact O-N 2.71Å; Q185-I188 PolarHBondContact O-N 2.9Å; Q185-E189 HydrophobicContact CG-CG 4.48Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.39Å; Q185-E189 PolarHBondContact NE2-OE1 3.26Å; Q185-E189 WeakPolarHBondContact O-CB 3.25Å; Q185-E189 WeakPolarHBondContact O-CG 3.24Å; Q185-E189 PolarHBondContact O-N 2.84Å
186	S	98.3	Very high	98.1	Very high	45 Å²	45	59.9 Å²	59.9	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-33.1	176.3	64.3	0	0	0	0	113.6	S184 F190 Y250 K254	S184-S186 PolarHBondContact O-N 3.06Å; S184-S186 PolarHBondContact OG-OG 3.2Å; S184-S186 VanDerWaalsContact OG-OG 3.04Å; S186-F190 VanDerWaalsContact O-CB 3.26Å; S186-F190 WeakPolarHBondContact O-CB 3.44Å; S186-F190 PolarHBondContact O-N 2.98Å; S186-F190 VanDerWaalsContact O-N 3.09Å; S186-Y250 VanDerWaalsContact C-OH 3.29Å; S186-Y250 PolarHBondContact O-OH 3.46Å; S186-K254 PolarHBondContact OG-NZ 3.21Å
187	S	98.6	Very high	98.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-75.1	-36.2	178.2	-68.6	0	0	0	0	111.8	Q181 M182 S184 Q185 E191 Y251	Q181-S187 PolarHBondContact O-OG 2.79Å; M182-S187 WeakPolarHBondContact O-CB 3.43Å; S184-S187 WeakPolarHBondContact O-CA 3.21Å; S184-S187 WeakPolarHBondContact O-CB 3.45Å; S184-S187 PolarHBondContact O-N 3.47Å; S184-S187 PolarHBondContact OG-N 2.85Å; S184-S187 PolarHBondContact OG-OG 2.83Å; S184-S187 VanDerWaalsContact OG-OG 3.13Å; Q185-S187 VanDerWaalsContact C-N 3.28Å; Q185-S187 PolarHBondContact O-N 2.71Å; S187-E191 PolarHBondContact O-N 3.05Å; S187-E191 VanDerWaalsContact O-N 3.12Å; S187-Y251 PolarHBondContact O-OH 2.8Å
188	I	98.7	Very high	98.3	Very high	67 Å²	67	58.2 Å²	58.2	34%	0.344	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-44.4	174.9	-65.1	168.8	0	0	0	110.9	D183 S184 Q185 F190 E191 K192	D183-I188 WeakPolarHBondContact O-CD1 3.34Å; S184-I188 PolarHBondContact O-N 3.29Å; Q185-I188 PolarHBondContact O-N 2.9Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 3.22Å; I188-E191 WeakPolarHBondContact O-CB 3.28Å; I188-E191 PolarHBondContact O-N 3.22Å; I188-K192 PolarHBondContact O-N 3Å
189	E	98.7	Very high	98.4	Very high	94 Å²	94	61.6 Å²	61.6	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-40	176.9	-74.4	171.5	-175.9	0	0	111.9	Q185 E191 K192 N193	Q185-E189 HydrophobicContact CG-CG 4.48Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.39Å; Q185-E189 PolarHBondContact NE2-OE1 3.26Å; Q185-E189 WeakPolarHBondContact O-CB 3.25Å; Q185-E189 WeakPolarHBondContact O-CG 3.24Å; Q185-E189 PolarHBondContact O-N 2.84Å; E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.86Å; E189-K192 WeakPolarHBondContact O-CB 3.34Å; E189-K192 PolarHBondContact O-N 3.38Å; E189-N193 VanDerWaalsContact O-CG 3.24Å; E189-N193 PolarHBondContact O-N 3.41Å; E189-N193 PolarHBondContact O-ND2 2.87Å; E189-N193 PolarHBondContact O-OD1 2.83Å
190	F	98.7	Very high	98.4	Very high	29 Å²	29	63.4 Å²	63.4	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-39.9	175.6	-168.3	-88.3	0	0	0	112	S186 I188 K192 N193 H194 E246 V247 Y250 Y251	S186-F190 VanDerWaalsContact O-CB 3.26Å; S186-F190 WeakPolarHBondContact O-CB 3.44Å; S186-F190 PolarHBondContact O-N 2.98Å; S186-F190 VanDerWaalsContact O-N 3.09Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 3.22Å; F190-K192 VanDerWaalsContact C-N 3.35Å; F190-N193 PolarHBondContact O-N 3.04Å; F190-H194 AromaticContact CD1-ND1 3.77Å; F190-H194 AromaticContact CE1-CE1 3.51Å; F190-H194 AromaticContact CE1-ND1 3.57Å; F190-H194 AromaticContact CE2-CE1 3.54Å; F190-H194 AromaticContact CZ-CE1 3.23Å; F190-H194 WeakPolarHBondContact CZ-CE1 3.5Å; F190-H194 AromaticContact CZ-ND1 3.8Å; F190-H194 AromaticContact CZ-NE2 3.96Å; F190-H194 PolarHBondContact O-N 3.07Å; F190-H194 PolarHBondContact O-ND1 3.23Å; F190-E246 HydrophobicContact CZ-CG 4.42Å; F190-V247 HydrophobicContact CE1-CB 4.31Å; F190-V247 HydrophobicContact CE1-CG1 4.49Å; F190-V247 HydrophobicContact CE1-CG2 3.91Å; F190-V247 HydrophobicContact CZ-CG2 4.48Å; F190-Y250 HydrophobicContact CB-CD1 4.16Å; F190-Y250 HydrophobicContact CB-CE1 3.56Å; F190-Y250 HydrophobicContact CB-CE2 4.5Å; F190-Y250 AromaticContact CD1-CD1 3.4Å; F190-Y250 HydrophobicContact CD1-CD1 3.4Å; F190-Y250 VanDerWaalsContact CD1-CD1 3.4Å; F190-Y250 HydrophobicContact CD1-CD2 4.48Å; F190-Y250 AromaticContact CD1-CE1 3.74Å; F190-Y250 HydrophobicContact CD1-CE1 3.74Å; F190-Y250 AromaticContact CD1-CG 3.81Å; F190-Y250 HydrophobicContact CD1-CG 3.81Å; F190-Y250 HydrophobicContact CD2-CD1 4.08Å; F190-Y250 AromaticContact CD2-CD2 3.79Å; F190-Y250 HydrophobicContact CD2-CD2 3.79Å; F190-Y250 HydrophobicContact CD2-CE1 4.04Å; F190-Y250 AromaticContact CD2-CE2 3.75Å; F190-Y250 HydrophobicContact CD2-CE2 3.75Å; F190-Y250 AromaticContact CD2-CG 3.94Å; F190-Y250 HydrophobicContact CD2-CG 3.94Å; F190-Y250 AromaticContact CD2-CZ 3.85Å; F190-Y250 AromaticContact CE1-CD1 3.71Å; F190-Y250 HydrophobicContact CE1-CD1 3.71Å; F190-Y250 HydrophobicContact CE1-CD2 4.42Å; F190-Y250 HydrophobicContact CE1-CE1 4.45Å; F190-Y250 AromaticContact CE1-CG 3.68Å; F190-Y250 HydrophobicContact CE1-CG 3.68Å; F190-Y250 HydrophobicContact CE2-CD1 4.35Å; F190-Y250 AromaticContact CE2-CD2 3.72Å; F190-Y250 HydrophobicContact CE2-CD2 3.72Å; F190-Y250 HydrophobicContact CE2-CE2 4.15Å; F190-Y250 AromaticContact CE2-CG 3.82Å; F190-Y250 HydrophobicContact CE2-CG 3.82Å; F190-Y250 AromaticContact CG-CD1 3.6Å; F190-Y250 HydrophobicContact CG-CD1 3.6Å; F190-Y250 HydrophobicContact CG-CD2 4.18Å; F190-Y250 AromaticContact CG-CE1 3.49Å; F190-Y250 HydrophobicContact CG-CE1 3.49Å; F190-Y250 VanDerWaalsContact CG-CE1 3.49Å; F190-Y250 HydrophobicContact CG-CE2 4.1Å; F190-Y250 AromaticContact CG-CG 3.94Å; F190-Y250 HydrophobicContact CG-CG 3.94Å; F190-Y250 AromaticContact CG-CZ 3.73Å; F190-Y250 HydrophobicContact CZ-CD1 4.18Å; F190-Y250 HydrophobicContact CZ-CD2 4.06Å; F190-Y250 AromaticContact CZ-CG 3.69Å; F190-Y250 HydrophobicContact CZ-CG 3.69Å; F190-Y251 HydrophobicContact CD1-CE2 4.05Å; F190-Y251 AromaticContact CD1-CZ 3.97Å; F190-Y251 HydrophobicContact CE1-CE2 4.44Å
191	E	98.7	Very high	98.4	Very high	37 Å²	37	58.5 Å²	58.5	17%	0.173	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.6	-165	177.3	150.4	0	0	110.8	S187 I188 E189 N193 H194 S195 F198 N211 R212 Y251	S187-E191 PolarHBondContact O-N 3.05Å; S187-E191 VanDerWaalsContact O-N 3.12Å; I188-E191 WeakPolarHBondContact O-CB 3.28Å; I188-E191 PolarHBondContact O-N 3.22Å; E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.86Å; E191-N193 VanDerWaalsContact C-N 3.34Å; E191-N193 PolarHBondContact O-N 2.93Å; E191-H194 CarbonylContact O-C 3.33Å; E191-H194 PolarHBondContact O-N 3.19Å; E191-H194 VanDerWaalsContact O-N 3.14Å; E191-S195 PolarHBondContact O-N 2.92Å; E191-S195 VanDerWaalsContact O-N 3.12Å; E191-F198 HydrophobicContact CB-CE2 4.22Å; E191-F198 HydrophobicContact CG-CD1 4.35Å; E191-F198 HydrophobicContact CG-CD2 3.72Å; E191-F198 HydrophobicContact CG-CE1 4.21Å; E191-F198 HydrophobicContact CG-CE2 3.58Å; E191-F198 HydrophobicContact CG-CG 4.13Å; E191-F198 HydrophobicContact CG-CZ 3.85Å; E191-N211 WeakPolarHBondContact OE1-CB 3.22Å; E191-R212 WeakPolarHBondContact OE2-CB 3.36Å; E191-R212 WeakPolarHBondContact OE2-CD 3.32Å; E191-R212 VanDerWaalsContact OE2-CG 3.25Å; E191-R212 WeakPolarHBondContact OE2-CG 3.49Å; E191-R212 IonicContact OE2-CZ 3.78Å; E191-R212 PolarHBondContact OE2-N 3.43Å; E191-R212 IonicContact OE2-NE 2.71Å; E191-R212 IonicContact OE2-NH1 3.4Å; E191-R212 PolarHBondContact OE2-NH1 3.19Å; E191-Y251 WeakPolarHBondContact CA-OH 3.48Å; E191-Y251 VanDerWaalsContact CB-OH 3.3Å; E191-Y251 WeakPolarHBondContact CB-OH 3.39Å; E191-Y251 PolarHBondContact N-OH 3.11Å; E191-Y251 VanDerWaalsContact N-OH 3.12Å
192	K	98.6	Very high	98.4	Very high	157 Å²	157	58 Å²	58	68%	0.683	30%	0.301	S	S	*	.	H	α-helix	trans	-61.7	-40.6	179.1	-175	-179.2	178	-177	0	112.3	I188 E189 F190 H194 S195	I188-K192 PolarHBondContact O-N 3Å; E189-K192 WeakPolarHBondContact O-CB 3.34Å; E189-K192 PolarHBondContact O-N 3.38Å; F190-K192 VanDerWaalsContact C-N 3.35Å; K192-H194 PolarHBondContact O-N 3.14Å; K192-S195 VanDerWaalsContact O-CB 3.22Å; K192-S195 WeakPolarHBondContact O-CB 3.32Å; K192-S195 PolarHBondContact O-N 2.95Å; K192-S195 PolarHBondContact O-OG 3.44Å
193	N	98.5	Very high	98.3	Very high	128 Å²	128	63.5 Å²	63.5	68%	0.684	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-26.5	178	-69	-13.7	0	0	0	112.6	E189 F190 E191	E189-N193 VanDerWaalsContact O-CG 3.24Å; E189-N193 PolarHBondContact O-N 3.41Å; E189-N193 PolarHBondContact O-ND2 2.87Å; E189-N193 PolarHBondContact O-OD1 2.83Å; F190-N193 PolarHBondContact O-N 3.04Å; E191-N193 VanDerWaalsContact C-N 3.34Å; E191-N193 PolarHBondContact O-N 2.93Å
194	H	98.7	Very high	98.2	Very high	22 Å²	22	61.8 Å²	61.8	10%	0.102	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	23	176.5	-60.7	85.3	0	0	0	112.3	F190 E191 K192 N196 L197 F198 E243 V247	F190-H194 AromaticContact CD1-ND1 3.77Å; F190-H194 AromaticContact CE1-CE1 3.51Å; F190-H194 AromaticContact CE1-ND1 3.57Å; F190-H194 AromaticContact CE2-CE1 3.54Å; F190-H194 AromaticContact CZ-CE1 3.23Å; F190-H194 WeakPolarHBondContact CZ-CE1 3.5Å; F190-H194 AromaticContact CZ-ND1 3.8Å; F190-H194 AromaticContact CZ-NE2 3.96Å; F190-H194 PolarHBondContact O-N 3.07Å; F190-H194 PolarHBondContact O-ND1 3.23Å; E191-H194 CarbonylContact O-C 3.33Å; E191-H194 PolarHBondContact O-N 3.19Å; E191-H194 VanDerWaalsContact O-N 3.14Å; K192-H194 PolarHBondContact O-N 3.14Å; H194-N196 PolarHBondContact O-N 3.17Å; H194-N196 VanDerWaalsContact O-N 3.11Å; H194-L197 WeakPolarHBondContact O-CB 3.18Å; H194-L197 PolarHBondContact O-N 3.5Å; H194-F198 HydrophobicContact CB-CD2 4.16Å; H194-F198 HydrophobicContact CB-CE2 3.96Å; H194-F198 VanDerWaalsContact O-CD2 3.28Å; H194-F198 WeakPolarHBondContact O-CD2 3.27Å; H194-F198 PolarHBondContact O-N 3.39Å; H194-E243 IonicContact CD2-OE1 3.85Å; H194-E243 PolarHBondContact CD2-OE1 2.95Å; H194-E243 VanDerWaalsContact CD2-OE1 3.3Å; H194-E243 IonicContact CG-OE1 2.82Å; H194-V247 HydrophobicContact CB-CG2 3.97Å; H194-V247 VanDerWaalsContact CD2-CG2 3.45Å; H194-V247 WeakPolarHBondContact CD2-CG2 3.41Å
195	S	98.4	Very high	97.9	Very high	56 Å²	56	60.4 Å²	60.4	39%	0.392	31%	0.314	S	S	.	.	H	α-helix	trans	-55.7	-34.3	-172.2	48.9	0	0	0	0	113.9	E191 K192 L197 F198 V199	E191-S195 PolarHBondContact O-N 2.92Å; E191-S195 VanDerWaalsContact O-N 3.12Å; K192-S195 VanDerWaalsContact O-CB 3.22Å; K192-S195 WeakPolarHBondContact O-CB 3.32Å; K192-S195 PolarHBondContact O-N 2.95Å; K192-S195 PolarHBondContact O-OG 3.44Å; S195-L197 PolarHBondContact O-N 2.82Å; S195-F198 PolarHBondContact O-N 3.11Å; S195-V199 WeakPolarHBondContact O-CG2 3.24Å; S195-V199 PolarHBondContact O-N 2.81Å
196	N	98.3	Very high	97.5	Very high	135 Å²	135	57.8 Å²	57.8	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-43.4	176	-71.6	-21.9	0	0	0	112.2	H194 K200	H194-N196 PolarHBondContact O-N 3.17Å; H194-N196 VanDerWaalsContact O-N 3.11Å; N196-K200 VanDerWaalsContact O-CB 3.26Å; N196-K200 WeakPolarHBondContact O-CB 3.35Å; N196-K200 PolarHBondContact O-N 3.31Å
197	L	98.6	Very high	97.2	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-50.1	174.1	179.3	71.5	0	0	0	110.4	H194 S195 V199 K200 L201 L240 E243 V247	H194-L197 WeakPolarHBondContact O-CB 3.18Å; H194-L197 PolarHBondContact O-N 3.5Å; S195-L197 PolarHBondContact O-N 2.82Å; L197-V199 PolarHBondContact O-N 3.05Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 3.28Å; L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CD2 4.48Å; L197-L201 HydrophobicContact CD1-CG 4.05Å; L197-L201 HydrophobicContact CD2-CD1 4.36Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.19Å; L197-L201 WeakPolarHBondContact O-CB 3.31Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.48Å; L197-L201 PolarHBondContact O-N 2.87Å; L197-L240 HydrophobicContact CD1-CD1 4.14Å; L197-L240 HydrophobicContact CD1-CD2 4.18Å; L197-L240 HydrophobicContact CD1-CG 3.77Å; L197-E243 HydrophobicContact CD2-CG 4.12Å; L197-V247 HydrophobicContact CD2-CB 4.16Å; L197-V247 HydrophobicContact CD2-CG1 4.45Å; L197-V247 HydrophobicContact CD2-CG2 3.78Å
198	F	98.6	Very high	96.9	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-43	-178.6	-76.3	-75.8	0	0	0	113.1	E191 H194 S195 T202 V210 V215 V247 Y251	E191-F198 HydrophobicContact CB-CE2 4.22Å; E191-F198 HydrophobicContact CG-CD1 4.35Å; E191-F198 HydrophobicContact CG-CD2 3.72Å; E191-F198 HydrophobicContact CG-CE1 4.21Å; E191-F198 HydrophobicContact CG-CE2 3.58Å; E191-F198 HydrophobicContact CG-CG 4.13Å; E191-F198 HydrophobicContact CG-CZ 3.85Å; H194-F198 HydrophobicContact CB-CD2 4.16Å; H194-F198 HydrophobicContact CB-CE2 3.96Å; H194-F198 VanDerWaalsContact O-CD2 3.28Å; H194-F198 WeakPolarHBondContact O-CD2 3.27Å; H194-F198 PolarHBondContact O-N 3.39Å; S195-F198 PolarHBondContact O-N 3.11Å; F198-T202 WeakPolarHBondContact O-CB 3.3Å; F198-T202 PolarHBondContact O-N 3.48Å; F198-T202 PolarHBondContact O-OG1 3.23Å; F198-V210 HydrophobicContact CD1-CG1 4.05Å; F198-V210 WeakPolarHBondContact CD1-O 3.31Å; F198-V210 HydrophobicContact CE1-CG1 4.43Å; F198-V215 HydrophobicContact CE1-CB 3.83Å; F198-V215 HydrophobicContact CE1-CG1 4.12Å; F198-V215 HydrophobicContact CE1-CG2 4.07Å; F198-V215 HydrophobicContact CZ-CB 4.47Å; F198-V215 HydrophobicContact CZ-CG1 4.36Å; F198-V247 HydrophobicContact CE2-CG1 4.22Å; F198-V247 HydrophobicContact CZ-CG1 3.77Å; F198-Y251 AromaticContact CZ-CE2 3.94Å; F198-Y251 HydrophobicContact CZ-CE2 3.94Å
199	V	98.2	Very high	96.8	Very high	86 Å²	86	61.7 Å²	61.7	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-45.7	174.5	170.4	0	0	0	0	110.6	S195 L197 T202 N203	S195-V199 WeakPolarHBondContact O-CG2 3.24Å; S195-V199 PolarHBondContact O-N 2.81Å; L197-V199 PolarHBondContact O-N 3.05Å; V199-T202 PolarHBondContact O-N 3.07Å; V199-N203 VanDerWaalsContact O-CG 3.32Å; V199-N203 PolarHBondContact O-N 2.76Å; V199-N203 VanDerWaalsContact O-N 3.16Å; V199-N203 PolarHBondContact O-ND2 3.03Å
200	K	98.2	Very high	96.8	Very high	88 Å²	88	57.6 Å²	57.6	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-50.8	178.5	179	62.9	174.3	-174	0	111.2	N196 L197 T202 N203 V204 L240	N196-K200 VanDerWaalsContact O-CB 3.26Å; N196-K200 WeakPolarHBondContact O-CB 3.35Å; N196-K200 PolarHBondContact O-N 3.31Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 3.28Å; K200-T202 VanDerWaalsContact C-N 3.35Å; K200-T202 PolarHBondContact O-N 3.31Å; K200-N203 PolarHBondContact O-N 3.12Å; K200-N203 VanDerWaalsContact O-N 3.16Å; K200-V204 HydrophobicContact CD-CG1 4.17Å; K200-V204 WeakPolarHBondContact O-CG2 3.3Å; K200-V204 PolarHBondContact O-N 3.28Å; K200-V204 VanDerWaalsContact O-N 3.1Å; K200-L240 HydrophobicContact CG-CD1 4.02Å
201	L	98.3	Very high	96.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-41.2	-179.8	-69.5	-176.2	0	0	0	112.1	L197 N203 V204 A205 V210 V215 I218 W235 L244	L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CD2 4.48Å; L197-L201 HydrophobicContact CD1-CG 4.05Å; L197-L201 HydrophobicContact CD2-CD1 4.36Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.19Å; L197-L201 WeakPolarHBondContact O-CB 3.31Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.48Å; L197-L201 PolarHBondContact O-N 2.87Å; L201-N203 VanDerWaalsContact C-N 3.27Å; L201-N203 PolarHBondContact O-N 3.4Å; L201-V204 HydrophobicContact CD2-CG2 4.46Å; L201-V204 PolarHBondContact O-N 2.81Å; L201-A205 WeakPolarHBondContact O-CB 3.16Å; L201-A205 PolarHBondContact O-N 2.89Å; L201-V210 HydrophobicContact CB-CB 4.16Å; L201-V210 HydrophobicContact CB-CG1 4.01Å; L201-V210 HydrophobicContact CB-CG2 4.13Å; L201-V210 HydrophobicContact CD1-CG1 4.29Å; L201-V215 HydrophobicContact CD1-CG2 3.89Å; L201-I218 HydrophobicContact CB-CD1 3.9Å; L201-I218 HydrophobicContact CD1-CD1 4.19Å; L201-I218 HydrophobicContact CD2-CD1 4.36Å; L201-I218 HydrophobicContact CD2-CG2 4.1Å; L201-I218 HydrophobicContact CG-CD1 4.37Å; L201-W235 HydrophobicContact CD2-CZ3 4.06Å; L201-L244 HydrophobicContact CD1-CD1 3.99Å
202	T	97.7	Very high	96.8	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-56.2	-43.1	174.1	-62.9	0	0	0	0	111.8	F198 V199 K200 V210	F198-T202 WeakPolarHBondContact O-CB 3.3Å; F198-T202 PolarHBondContact O-N 3.48Å; F198-T202 PolarHBondContact O-OG1 3.23Å; V199-T202 PolarHBondContact O-N 3.07Å; K200-T202 VanDerWaalsContact C-N 3.35Å; K200-T202 PolarHBondContact O-N 3.31Å; T202-V210 PolarHBondContact OG1-N 2.86Å
203	N	96.4	Very high	96.7	Very high	124 Å²	124	54.7 Å²	54.7	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-73.9	-31.3	-177.9	-68.4	-27.2	0	0	0	113.4	V199 K200 L201	V199-N203 VanDerWaalsContact O-CG 3.32Å; V199-N203 PolarHBondContact O-N 2.76Å; V199-N203 VanDerWaalsContact O-N 3.16Å; V199-N203 PolarHBondContact O-ND2 3.03Å; K200-N203 PolarHBondContact O-N 3.12Å; K200-N203 VanDerWaalsContact O-N 3.16Å; L201-N203 VanDerWaalsContact C-N 3.27Å; L201-N203 PolarHBondContact O-N 3.4Å
204	V	94.9	Very high	96.6	Very high	27 Å²	27	50.5 Å²	50.5	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-99.3	-26.4	-174	-56.6	0	0	0	0	114.4	A66 K200 L201 W235	A66-V204 WeakPolarHBondContact CB-O 3.41Å; K200-V204 HydrophobicContact CD-CG1 4.17Å; K200-V204 WeakPolarHBondContact O-CG2 3.3Å; K200-V204 PolarHBondContact O-N 3.28Å; K200-V204 VanDerWaalsContact O-N 3.1Å; L201-V204 HydrophobicContact CD2-CG2 4.46Å; L201-V204 PolarHBondContact O-N 2.81Å; V204-W235 HydrophobicContact CB-CD2 4.35Å; V204-W235 HydrophobicContact CB-CZ2 4.42Å; V204-W235 HydrophobicContact CG1-CD2 4.45Å; V204-W235 HydrophobicContact CG1-CG 4.23Å; V204-W235 HydrophobicContact CG2-CD2 3.91Å; V204-W235 HydrophobicContact CG2-CE3 4.16Å; V204-W235 HydrophobicContact CG2-CH2 4.1Å; V204-W235 HydrophobicContact CG2-CZ2 3.82Å; V204-W235 HydrophobicContact CG2-CZ3 4.24Å
205	A	92.9	Very high	96.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-82.2	-24.9	-174.2	0	0	0	0	0	113.3	I64 A66 I67 L201 I207 I218	I64-A205 HydrophobicContact CG2-CB 4.33Å; I64-A205 WeakPolarHBondContact CG2-O 3.26Å; A66-A205 WeakPolarHBondContact CB-O 3.24Å; I67-A205 HydrophobicContact CD1-CB 4.47Å; L201-A205 WeakPolarHBondContact O-CB 3.16Å; L201-A205 PolarHBondContact O-N 2.89Å; A205-I207 HydrophobicContact CB-CD1 4.38Å; A205-I207 HydrophobicContact CB-CG1 3.97Å; A205-I207 PolarHBondContact O-N 3.17Å; A205-I218 HydrophobicContact CB-CD1 3.53Å; A205-I218 HydrophobicContact CB-CG1 4.06Å
206	G	90.6	Very high	96.5	Very high	64 Å²	64	51.6 Å²	51.6	66%	0.66	29%	0.292	S	S	*	.			trans	65.9	18.6	177.2	0	0	0	0	0	115
207	I	91.9	Very high	96.5	Very high	61 Å²	61	45.5 Å²	45.5	31%	0.313	26%	0.26	S	S	.	.	S	Bend	trans	-103.4	16.3	-179.9	60.8	172.8	0	0	0	113.1	I64 A205 V210 I218	I64-I207 HydrophobicContact CG1-CG2 4.32Å; I64-I207 HydrophobicContact CG2-CG2 4.03Å; A205-I207 HydrophobicContact CB-CD1 4.38Å; A205-I207 HydrophobicContact CB-CG1 3.97Å; A205-I207 PolarHBondContact O-N 3.17Å; I207-V210 HydrophobicContact CD1-CG2 4.41Å; I207-V210 HydrophobicContact CG1-CG2 4.27Å; I207-I218 HydrophobicContact CD1-CD1 4.18Å; I207-I218 HydrophobicContact CD1-CG1 4.04Å
208	G	92.2	Very high	96.5	Very high	35 Å²	35	45.4 Å²	45.4	36%	0.361	26%	0.259	S	S	.	.	S	Bend	trans	84.8	-166.8	-171	0	0	0	0	0	112.8	V210	G208-V210 PolarHBondContact O-N 3.35Å
209	P	96.8	Very high	96.4	Very high	99 Å²	99	45 Å²	45	64%	0.643	26%	0.258	S	S	*	.			trans	-58.2	122.1	-179.5	-24.6	35	0	0	0	112.1	N214	P209-N214 PolarHBondContact O-ND2 3.03Å
210	V	98.1	Very high	96.4	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.042	24%	0.238	C	C	.	.			trans	-89.1	131.5	173.5	-178.9	0	0	0	0	108.6	F198 L201 T202 I207 G208 N214 V215 I218	F198-V210 HydrophobicContact CD1-CG1 4.05Å; F198-V210 WeakPolarHBondContact CD1-O 3.31Å; F198-V210 HydrophobicContact CE1-CG1 4.43Å; L201-V210 HydrophobicContact CB-CB 4.16Å; L201-V210 HydrophobicContact CB-CG1 4.01Å; L201-V210 HydrophobicContact CB-CG2 4.13Å; L201-V210 HydrophobicContact CD1-CG1 4.29Å; T202-V210 PolarHBondContact OG1-N 2.86Å; I207-V210 HydrophobicContact CD1-CG2 4.41Å; I207-V210 HydrophobicContact CG1-CG2 4.27Å; G208-V210 PolarHBondContact O-N 3.35Å; V210-N214 VanDerWaalsContact CA-OD1 3.31Å; V210-N214 WeakPolarHBondContact CA-OD1 3.28Å; V210-V215 HydrophobicContact CG1-CB 3.99Å; V210-V215 HydrophobicContact CG1-CG2 4.23Å; V210-I218 HydrophobicContact CB-CD1 4.45Å; V210-I218 HydrophobicContact CG1-CD1 3.95Å; V210-I218 HydrophobicContact CG2-CD1 3.61Å
211	N	97.9	Very high	96.3	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.241	22%	0.22	C	C	.	.			trans	-150	-176.6	-178.6	62	52.9	0	0	0	110.3	E191 H213 N214 V215	E191-N211 WeakPolarHBondContact OE1-CB 3.22Å; N211-H213 PolarHBondContact O-N 3.34Å; N211-H213 WeakPolarHBondContact OD1-CA 3.35Å; N211-H213 VanDerWaalsContact OD1-CB 3.3Å; N211-H213 WeakPolarHBondContact OD1-CB 3.5Å; N211-H213 PolarHBondContact OD1-N 3.4Å; N211-N214 PolarHBondContact N-OD1 3.1Å; N211-N214 PolarHBondContact O-N 3.11Å; N211-N214 PolarHBondContact O-OD1 3.05Å; N211-N214 VanDerWaalsContact O-OD1 3.1Å; N211-V215 WeakPolarHBondContact O-CB 3.18Å; N211-V215 PolarHBondContact O-N 2.89Å
212	R	98	Very high	96.3	Very high	46 Å²	46	37.7 Å²	37.7	17%	0.174	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.3	179.4	63	-167.6	-179.3	-86.4	-1.5	115.5	M182 D183 E191 Y251	M182-R212 HydrophobicContact CE-CB 4.11Å; M182-R212 HydrophobicContact CE-CG 4.44Å; M182-R212 WeakPolarHBondContact CE-O 3.45Å; M182-R212 WeakPolarHBondContact O-CD 3.31Å; M182-R212 PolarHBondContact O-NE 3.13Å; D183-R212 IonicContact OD1-CZ 2.85Å; D183-R212 IonicContact OD1-NE 2.86Å; D183-R212 PolarHBondContact OD1-NE 2.96Å; D183-R212 IonicContact OD1-NH2 3.41Å; D183-R212 PolarHBondContact OD1-NH2 3.18Å; E191-R212 WeakPolarHBondContact OE2-CB 3.36Å; E191-R212 WeakPolarHBondContact OE2-CD 3.32Å; E191-R212 VanDerWaalsContact OE2-CG 3.25Å; E191-R212 WeakPolarHBondContact OE2-CG 3.49Å; E191-R212 IonicContact OE2-CZ 3.78Å; E191-R212 PolarHBondContact OE2-N 3.43Å; E191-R212 IonicContact OE2-NE 2.71Å; E191-R212 IonicContact OE2-NH1 3.4Å; E191-R212 PolarHBondContact OE2-NH1 3.19Å; R212-Y251 HydrophobicContact CB-CD1 3.95Å; R212-Y251 HydrophobicContact CB-CD2 4.37Å; R212-Y251 HydrophobicContact CB-CE1 3.4Å; R212-Y251 VanDerWaalsContact CB-CE1 3.4Å; R212-Y251 HydrophobicContact CB-CE2 3.87Å; R212-Y251 HydrophobicContact CB-CG 4.41Å; R212-Y251 HydrophobicContact CG-CE1 4.48Å
213	H	97.2	Very high	96.3	Very high	71 Å²	71	38.1 Å²	38.1	33%	0.329	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.4	-176.5	-66.7	-78.3	0	0	0	114.1	M182 D183 N211 W216	M182-H213 VanDerWaalsContact CB-CE1 3.42Å; M182-H213 WeakPolarHBondContact CB-CE1 3.34Å; D183-H213 IonicContact OD1-CE1 3.74Å; D183-H213 PolarHBondContact OD1-CE1 2.96Å; D183-H213 IonicContact OD1-NE2 3.28Å; D183-H213 PolarHBondContact OD1-NE2 2.59Å; D183-H213 IonicContact OD2-CE1 2.92Å; D183-H213 IonicContact OD2-NE2 3.08Å; N211-H213 PolarHBondContact O-N 3.34Å; N211-H213 WeakPolarHBondContact OD1-CA 3.35Å; N211-H213 VanDerWaalsContact OD1-CB 3.3Å; N211-H213 WeakPolarHBondContact OD1-CB 3.5Å; N211-H213 PolarHBondContact OD1-N 3.4Å; H213-W216 VanDerWaalsContact O-CD1 3.22Å; H213-W216 PolarHBondContact O-NE1 3.47Å; H213-W216 VanDerWaalsContact O-NE1 3.11Å
214	N	97	Very high	96.3	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.219	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-7.1	-173.2	68.1	3.9	0	0	0	115.2	P209 V210 N211 W216 S217	P209-N214 PolarHBondContact O-ND2 3.03Å; V210-N214 VanDerWaalsContact CA-OD1 3.31Å; V210-N214 WeakPolarHBondContact CA-OD1 3.28Å; N211-N214 PolarHBondContact N-OD1 3.1Å; N211-N214 PolarHBondContact O-N 3.11Å; N211-N214 PolarHBondContact O-OD1 3.05Å; N211-N214 VanDerWaalsContact O-OD1 3.1Å; N214-W216 PolarHBondContact O-N 3.16Å; N214-W216 VanDerWaalsContact O-N 3.12Å; N214-S217 WeakPolarHBondContact O-CB 3.16Å; N214-S217 PolarHBondContact O-N 3.06Å; N214-S217 PolarHBondContact O-OG 2.84Å
215	V	98.1	Very high	96.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-29.9	178	63.6	0	0	0	0	113.4	F198 L201 V210 N211 S217 I218 S219 L244 V247 Y251	F198-V215 HydrophobicContact CE1-CB 3.83Å; F198-V215 HydrophobicContact CE1-CG1 4.12Å; F198-V215 HydrophobicContact CE1-CG2 4.07Å; F198-V215 HydrophobicContact CZ-CB 4.47Å; F198-V215 HydrophobicContact CZ-CG1 4.36Å; L201-V215 HydrophobicContact CD1-CG2 3.89Å; V210-V215 HydrophobicContact CG1-CB 3.99Å; V210-V215 HydrophobicContact CG1-CG2 4.23Å; N211-V215 WeakPolarHBondContact O-CB 3.18Å; N211-V215 PolarHBondContact O-N 2.89Å; V215-S217 PolarHBondContact O-N 3.35Å; V215-I218 PolarHBondContact O-N 2.94Å; V215-I218 VanDerWaalsContact O-N 3.16Å; V215-S219 PolarHBondContact O-N 3.01Å; V215-L244 HydrophobicContact CG2-CD1 3.85Å; V215-V247 HydrophobicContact CG1-CG1 4.18Å; V215-V247 HydrophobicContact CG2-CG1 4.25Å; V215-Y251 HydrophobicContact CG1-CD2 4.05Å
216	W	97.2	Very high	96.6	Very high	99 Å²	99	34.4 Å²	34.4	38%	0.375	20%	0.201	S	C	.	.	H	α-helix	trans	-55.8	-32.1	175.1	71.1	-93.8	0	0	0	112.8	V62 H213 N214 I218 S219 D220 N248	V62-W216 HydrophobicContact CG2-CH2 4.24Å; H213-W216 VanDerWaalsContact O-CD1 3.22Å; H213-W216 PolarHBondContact O-NE1 3.47Å; H213-W216 VanDerWaalsContact O-NE1 3.11Å; N214-W216 PolarHBondContact O-N 3.16Å; N214-W216 VanDerWaalsContact O-N 3.12Å; W216-I218 VanDerWaalsContact C-N 3.32Å; W216-I218 PolarHBondContact O-N 2.83Å; W216-S219 PolarHBondContact O-N 2.95Å; W216-D220 HydrophobicContact CE3-CB 4.44Å; W216-D220 WeakPolarHBondContact O-CB 3.41Å; W216-D220 PolarHBondContact O-N 3.44Å; W216-N248 WeakPolarHBondContact CA-OD1 3.21Å; W216-N248 WeakPolarHBondContact CB-OD1 3.48Å
217	S	97.1	Very high	96.9	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-178.3	64.9	0	0	0	0	112	N214 V215 F221	N214-S217 WeakPolarHBondContact O-CB 3.16Å; N214-S217 PolarHBondContact O-N 3.06Å; N214-S217 PolarHBondContact O-OG 2.84Å; V215-S217 PolarHBondContact O-N 3.35Å; S217-F221 WeakPolarHBondContact O-CB 3.41Å; S217-F221 PolarHBondContact O-N 3.08Å; S217-F221 VanDerWaalsContact O-N 3.07Å
218	I	98.1	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73	-43.5	175	-61.2	169.7	0	0	0	109.7	I64 I67 L201 A205 I207 V210 V215 W216 D220 F221 I222 L244	I64-I218 HydrophobicContact CD1-CG1 3.99Å; I67-I218 HydrophobicContact CD1-CG2 4.05Å; L201-I218 HydrophobicContact CB-CD1 3.9Å; L201-I218 HydrophobicContact CD1-CD1 4.19Å; L201-I218 HydrophobicContact CD2-CD1 4.36Å; L201-I218 HydrophobicContact CD2-CG2 4.1Å; L201-I218 HydrophobicContact CG-CD1 4.37Å; A205-I218 HydrophobicContact CB-CD1 3.53Å; A205-I218 HydrophobicContact CB-CG1 4.06Å; I207-I218 HydrophobicContact CD1-CD1 4.18Å; I207-I218 HydrophobicContact CD1-CG1 4.04Å; V210-I218 HydrophobicContact CB-CD1 4.45Å; V210-I218 HydrophobicContact CG1-CD1 3.95Å; V210-I218 HydrophobicContact CG2-CD1 3.61Å; V215-I218 PolarHBondContact O-N 2.94Å; V215-I218 VanDerWaalsContact O-N 3.16Å; W216-I218 VanDerWaalsContact C-N 3.32Å; W216-I218 PolarHBondContact O-N 2.83Å; I218-D220 VanDerWaalsContact C-N 3.34Å; I218-D220 PolarHBondContact O-N 3.3Å; I218-F221 PolarHBondContact O-N 3.01Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.34Å; I218-I222 PolarHBondContact O-N 2.82Å; I218-L244 HydrophobicContact CG2-CD2 4.42Å
219	S	97.7	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-43.6	176.6	-165.8	0	0	0	0	112	V215 W216 T223 N248	V215-S219 PolarHBondContact O-N 3.01Å; W216-S219 PolarHBondContact O-N 2.95Å; S219-T223 VanDerWaalsContact O-CB 3.29Å; S219-T223 WeakPolarHBondContact O-CB 3.39Å; S219-T223 PolarHBondContact O-N 3.1Å; S219-T223 PolarHBondContact O-OG1 2.95Å; S219-N248 WeakPolarHBondContact OG-CB 3.39Å; S219-N248 PolarHBondContact OG-ND2 2.95Å
220	D	97.5	Very high	97.2	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-47	174.4	-176.2	74.7	0	0	0	111.3	R58 I61 W216 I218 I222 T223 C224	R58-D220 IonicContact CZ-OD1 3.92Å; R58-D220 VanDerWaalsContact CZ-OD1 3.28Å; R58-D220 IonicContact CZ-OD2 2.85Å; R58-D220 IonicContact NH1-OD1 3.12Å; R58-D220 PolarHBondContact NH1-OD1 2.96Å; R58-D220 IonicContact NH1-OD2 2.64Å; R58-D220 PolarHBondContact NH1-OD2 3.39Å; R58-D220 IonicContact NH2-OD1 2.87Å; R58-D220 PolarHBondContact NH2-OD1 2.99Å; R58-D220 IonicContact NH2-OD2 3.7Å; I61-D220 PolarHBondContact N-OD2 3.34Å; W216-D220 HydrophobicContact CE3-CB 4.44Å; W216-D220 WeakPolarHBondContact O-CB 3.41Å; W216-D220 PolarHBondContact O-N 3.44Å; I218-D220 VanDerWaalsContact C-N 3.34Å; I218-D220 PolarHBondContact O-N 3.3Å; D220-I222 PolarHBondContact O-N 2.69Å; D220-T223 PolarHBondContact O-N 2.89Å; D220-C224 PolarHBondContact O-N 3.28Å; D220-C224 PolarHBondContact O-SG 3.2Å
221	F	97.5	Very high	97.1	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-50.2	179.9	-163	-89.9	0	0	0	112.1	P60 V62 I64 I67 L68 W75 F79 S217 I218 C224 M225	P60-F221 HydrophobicContact CB-CB 4.49Å; P60-F221 HydrophobicContact CB-CD2 3.43Å; P60-F221 VanDerWaalsContact CB-CD2 3.43Å; P60-F221 HydrophobicContact CB-CE2 3.92Å; P60-F221 HydrophobicContact CB-CG 4.23Å; P60-F221 HydrophobicContact CG-CD2 3.57Å; P60-F221 HydrophobicContact CG-CE2 3.77Å; P60-F221 HydrophobicContact CG-CG 4.17Å; V62-F221 WeakPolarHBondContact O-CD2 3.31Å; V62-F221 WeakPolarHBondContact O-CE2 3.47Å; I64-F221 HydrophobicContact CB-CD2 4.12Å; I64-F221 HydrophobicContact CB-CE1 4.49Å; I64-F221 HydrophobicContact CB-CE2 4.1Å; I64-F221 HydrophobicContact CB-CG 4.33Å; I64-F221 HydrophobicContact CB-CZ 4.28Å; I64-F221 HydrophobicContact CD1-CB 3.89Å; I64-F221 HydrophobicContact CD1-CD2 4.17Å; I64-F221 HydrophobicContact CD1-CG 4.01Å; I64-F221 HydrophobicContact CG1-CD2 3.88Å; I64-F221 HydrophobicContact CG1-CE2 4.26Å; I64-F221 HydrophobicContact CG1-CG 4.17Å; I67-F221 HydrophobicContact CB-CD1 4.17Å; I67-F221 HydrophobicContact CB-CE1 3.9Å; I67-F221 HydrophobicContact CD1-CD1 4.4Å; I67-F221 HydrophobicContact CG2-CD1 3.79Å; I67-F221 HydrophobicContact CG2-CE1 3.69Å; L68-F221 HydrophobicContact CB-CE1 3.77Å; L68-F221 HydrophobicContact CB-CZ 3.85Å; W75-F221 HydrophobicContact CZ3-CZ 4.4Å; F79-F221 HydrophobicContact CE1-CE2 4.26Å; S217-F221 WeakPolarHBondContact O-CB 3.41Å; S217-F221 PolarHBondContact O-N 3.08Å; S217-F221 VanDerWaalsContact O-N 3.07Å; I218-F221 PolarHBondContact O-N 3.01Å; F221-C224 PolarHBondContact O-N 3.48Å; F221-M225 HydrophobicContact CD1-CG 4.22Å; F221-M225 HydrophobicContact CD1-SD 3.65Å; F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CE1-SD 3.56Å; F221-M225 VanDerWaalsContact CE1-SD 3.56Å; F221-M225 WeakPolarHBondContact O-CG 3.39Å; F221-M225 PolarHBondContact O-N 3.41Å
222	I	97.7	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-39.4	178.8	-64.6	-61.6	0	0	0	111.2	I67 I218 D220 C224 M225 I226 L232 W235 L241	I67-I222 HydrophobicContact CD1-CD1 4.49Å; I67-I222 HydrophobicContact CG2-CD1 3.85Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.34Å; I218-I222 PolarHBondContact O-N 2.82Å; D220-I222 PolarHBondContact O-N 2.69Å; I222-C224 VanDerWaalsContact C-N 3.31Å; I222-C224 PolarHBondContact O-N 2.85Å; I222-M225 HydrophobicContact CD1-SD 3.94Å; I222-M225 WeakPolarHBondContact O-CB 3.42Å; I222-M225 PolarHBondContact O-N 3.39Å; I222-M225 VanDerWaalsContact O-N 3.09Å; I222-I226 HydrophobicContact CG2-CD1 3.9Å; I222-I226 HydrophobicContact CG2-CG1 4.38Å; I222-I226 WeakPolarHBondContact O-CG1 3.1Å; I222-I226 PolarHBondContact O-N 2.64Å; I222-L232 HydrophobicContact CD1-CD2 4.46Å; I222-L232 HydrophobicContact CG2-CD2 4.27Å; I222-W235 HydrophobicContact CD1-CH2 4.17Å; I222-L241 HydrophobicContact CG2-CD2 3.48Å; I222-L241 VanDerWaalsContact CG2-CD2 3.48Å
223	T	96.9	Very high	96.8	Very high	51 Å²	51	37.7 Å²	37.7	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-43.7	175.3	-61.3	0	0	0	0	111.3	S219 D220 M225 I226 A227	S219-T223 VanDerWaalsContact O-CB 3.29Å; S219-T223 WeakPolarHBondContact O-CB 3.39Å; S219-T223 PolarHBondContact O-N 3.1Å; S219-T223 PolarHBondContact O-OG1 2.95Å; D220-T223 PolarHBondContact O-N 2.89Å; T223-M225 VanDerWaalsContact C-N 3.35Å; T223-I226 PolarHBondContact O-N 2.04Å; T223-A227 WeakPolarHBondContact O-CB 3.44Å; T223-A227 PolarHBondContact O-N 3.14Å
224	C	97.9	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-37.9	175.5	-63.5	0	0	0	0	111.6	R58 P60 W75 D220 F221 I222 A227 H228	R58-C224 PolarHBondContact O-SG 3.44Å; P60-C224 HydrophobicContact CB-CB 4.49Å; P60-C224 HydrophobicContact CG-CB 3.67Å; W75-C224 HydrophobicContact CZ2-CB 4.11Å; D220-C224 PolarHBondContact O-N 3.28Å; D220-C224 PolarHBondContact O-SG 3.2Å; F221-C224 PolarHBondContact O-N 3.48Å; I222-C224 VanDerWaalsContact C-N 3.31Å; I222-C224 PolarHBondContact O-N 2.85Å; C224-A227 PolarHBondContact O-N 2.92Å; C224-H228 PolarHBondContact O-N 3.21Å; C224-H228 PolarHBondContact O-ND1 3.23Å
225	M	97.3	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-47.8	175	-70.7	176.3	74	0	0	111.9	I67 L68 W75 F221 I222 T223 A227 H228 N229 I230 T231 L232	I67-M225 HydrophobicContact CG2-CE 4.36Å; I67-M225 HydrophobicContact CG2-SD 3.71Å; L68-M225 HydrophobicContact CB-CE 4.42Å; L68-M225 HydrophobicContact CD1-CE 4.35Å; W75-M225 HydrophobicContact CH2-CG 3.77Å; W75-M225 HydrophobicContact CZ2-CG 4.39Å; F221-M225 HydrophobicContact CD1-CG 4.22Å; F221-M225 HydrophobicContact CD1-SD 3.65Å; F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CE1-SD 3.56Å; F221-M225 VanDerWaalsContact CE1-SD 3.56Å; F221-M225 WeakPolarHBondContact O-CG 3.39Å; F221-M225 PolarHBondContact O-N 3.41Å; I222-M225 HydrophobicContact CD1-SD 3.94Å; I222-M225 WeakPolarHBondContact O-CB 3.42Å; I222-M225 PolarHBondContact O-N 3.39Å; I222-M225 VanDerWaalsContact O-N 3.09Å; T223-M225 VanDerWaalsContact C-N 3.35Å; M225-A227 PolarHBondContact O-N 3.08Å; M225-H228 CarbonylContact O-C 3.6Å; M225-H228 PolarHBondContact O-N 2.93Å; M225-H228 VanDerWaalsContact O-N 3.12Å; M225-N229 PolarHBondContact O-N 3.03Å; M225-I230 HydrophobicContact CB-CB 4.09Å; M225-I230 HydrophobicContact CB-CG2 4.47Å; M225-I230 HydrophobicContact CE-CB 4.42Å; M225-I230 HydrophobicContact CE-CG2 3.62Å; M225-I230 HydrophobicContact CG-CB 4.38Å; M225-I230 HydrophobicContact CG-CG2 4.31Å; M225-I230 PolarHBondContact O-N 3.35Å; M225-T231 VanDerWaalsContact CE-O 3.29Å; M225-T231 WeakPolarHBondContact CE-O 3.01Å; M225-L232 HydrophobicContact CB-CD2 3.72Å; M225-L232 HydrophobicContact CE-CD2 4.07Å; M225-L232 HydrophobicContact SD-CD2 4.33Å
226	I	96.5	Very high	96.6	Very high	73 Å²	73	42.7 Å²	42.7	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-59.4	-47.5	177.2	-67.8	168.3	0	0	0	110.3	I222 T223 H228 N229 L232 L241	I222-I226 HydrophobicContact CG2-CD1 3.9Å; I222-I226 HydrophobicContact CG2-CG1 4.38Å; I222-I226 WeakPolarHBondContact O-CG1 3.1Å; I222-I226 PolarHBondContact O-N 2.64Å; T223-I226 PolarHBondContact O-N 2.04Å; I226-H228 PolarHBondContact O-N 3.43Å; I226-N229 PolarHBondContact O-N 3.38Å; I226-L232 HydrophobicContact CD1-CD1 4.31Å; I226-L232 HydrophobicContact CG1-CD1 3.98Å; I226-L232 HydrophobicContact CG1-CD2 4.13Å; I226-L241 HydrophobicContact CD1-CD2 4.4Å
227	A	96.3	Very high	96.6	Very high	30 Å²	30	40.9 Å²	40.9	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-21.9	179.5	0	0	0	0	0	113.3	D57 K85 T223 C224 M225	D57-A227 WeakPolarHBondContact OD1-CB 3.23Å; K85-A227 PolarHBondContact NZ-O 3.35Å; T223-A227 WeakPolarHBondContact O-CB 3.44Å; T223-A227 PolarHBondContact O-N 3.14Å; C224-A227 PolarHBondContact O-N 2.92Å; M225-A227 PolarHBondContact O-N 3.08Å
228	H	96.7	Very high	96.6	Very high	22 Å²	22	47 Å²	47	10%	0.102	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	10.2	-179.4	-67.4	87.9	0	0	0	114.4	D57 W75 T83 C224 M225 I226 I230	D57-H228 IonicContact OD1-CE1 3.05Å; D57-H228 IonicContact OD2-CE1 3.95Å; D57-H228 PolarHBondContact OD2-CE1 3.04Å; D57-H228 IonicContact OD2-NE2 3.73Å; D57-H228 PolarHBondContact OD2-NE2 3.02Å; W75-H228 AromaticContact NE1-CD2 3.74Å; W75-H228 AromaticContact NE1-CE1 3.4Å; W75-H228 PolarHBondContact NE1-CE1 3.34Å; W75-H228 AromaticContact NE1-CG 3.51Å; W75-H228 AromaticContact NE1-ND1 3.28Å; W75-H228 PolarHBondContact NE1-ND1 3.08Å; W75-H228 AromaticContact NE1-NE2 3.65Å; T83-H228 VanDerWaalsContact CG2-NE2 3.3Å; T83-H228 WeakPolarHBondContact CG2-NE2 3.09Å; C224-H228 PolarHBondContact O-N 3.21Å; C224-H228 PolarHBondContact O-ND1 3.23Å; M225-H228 CarbonylContact O-C 3.6Å; M225-H228 PolarHBondContact O-N 2.93Å; M225-H228 VanDerWaalsContact O-N 3.12Å; I226-H228 PolarHBondContact O-N 3.43Å; H228-I230 HydrophobicContact CB-CD1 3.72Å; H228-I230 HydrophobicContact CB-CG1 3.9Å; H228-I230 PolarHBondContact O-N 3.05Å
229	N	95.7	Very high	96.6	Very high	144 Å²	144	53.7 Å²	53.7	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	34	-176.3	-57	-34.7	0	0	0	112.9	M225 I226	M225-N229 PolarHBondContact O-N 3.03Å; I226-N229 PolarHBondContact O-N 3.38Å
230	I	95.6	Very high	96.6	Very high	30 Å²	30	54.6 Å²	54.6	15%	0.154	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-81.4	133.6	176.8	-64.6	163.8	0	0	0	108.1	L68 P72 W75 M225 H228 L232	L68-I230 HydrophobicContact CD1-CG2 4.07Å; L68-I230 HydrophobicContact CD2-CG2 4.24Å; P72-I230 HydrophobicContact CB-CD1 4.18Å; P72-I230 HydrophobicContact CG-CD1 3.64Å; W75-I230 HydrophobicContact CH2-CD1 3.54Å; W75-I230 HydrophobicContact CZ2-CD1 3.21Å; W75-I230 HydrophobicContact CZ3-CD1 4.33Å; M225-I230 HydrophobicContact CB-CB 4.09Å; M225-I230 HydrophobicContact CB-CG2 4.47Å; M225-I230 HydrophobicContact CE-CB 4.42Å; M225-I230 HydrophobicContact CE-CG2 3.62Å; M225-I230 HydrophobicContact CG-CB 4.38Å; M225-I230 HydrophobicContact CG-CG2 4.31Å; M225-I230 PolarHBondContact O-N 3.35Å; H228-I230 HydrophobicContact CB-CD1 3.72Å; H228-I230 HydrophobicContact CB-CG1 3.9Å; H228-I230 PolarHBondContact O-N 3.05Å; I230-L232 PolarHBondContact O-N 3.32Å; I230-L232 VanDerWaalsContact O-N 3.16Å
231	T	94.9	Very high	96.7	Very high	129 Å²	129	54.5 Å²	54.5	79%	0.791	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.1	120.8	177.6	-52.6	0	0	0	0	110.4	M225	M225-T231 VanDerWaalsContact CE-O 3.29Å; M225-T231 WeakPolarHBondContact CE-O 3.01Å
232	L	95.7	Very high	96.7	Very high	45 Å²	45	57.4 Å²	57.4	24%	0.236	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-76.5	149.8	175.5	-58	-176.9	0	0	0	110	I222 M225 I226 I230 C236 L241	I222-L232 HydrophobicContact CD1-CD2 4.46Å; I222-L232 HydrophobicContact CG2-CD2 4.27Å; M225-L232 HydrophobicContact CB-CD2 3.72Å; M225-L232 HydrophobicContact CE-CD2 4.07Å; M225-L232 HydrophobicContact SD-CD2 4.33Å; I226-L232 HydrophobicContact CD1-CD1 4.31Å; I226-L232 HydrophobicContact CG1-CD1 3.98Å; I226-L232 HydrophobicContact CG1-CD2 4.13Å; I230-L232 PolarHBondContact O-N 3.32Å; I230-L232 VanDerWaalsContact O-N 3.16Å; L232-C236 HydrophobicContact CB-CB 3.99Å; L232-C236 HydrophobicContact CD1-CB 4.42Å; L232-L241 HydrophobicContact CD1-CD1 3.84Å
233	P	95.2	Very high	96.8	Very high	27 Å²	27	60.2 Å²	60.2	18%	0.175	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-61.1	151.1	171.8	-22.3	34.3	0	0	0	112	I67 W235 C236	I67-P233 HydrophobicContact CG2-CG 3.9Å; P233-W235 HydrophobicContact CB-CD2 4.21Å; P233-W235 HydrophobicContact CB-CG 4.21Å; P233-W235 HydrophobicContact CB-CZ2 4.05Å; P233-W235 HydrophobicContact CG-CZ2 3.79Å; P233-W235 PolarHBondContact O-N 3.02Å; P233-C236 WeakPolarHBondContact O-CB 3.5Å; P233-C236 PolarHBondContact O-N 3.42Å
234	D	95.6	Very high	96.8	Very high	164 Å²	164	57.8 Å²	57.8	88%	0.877	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.4	-177.1	-60	-20.9	0	0	0	114.5	C236	D234-C236 PolarHBondContact O-N 3.48Å
235	W	95.2	Very high	96.8	Very high	42 Å²	42	60.9 Å²	60.9	16%	0.159	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.3	177.4	58.8	-102.3	0	0	0	113.2	I67 L201 V204 I222 P233 T237 L240	I67-W235 HydrophobicContact CD1-CH2 4.14Å; I67-W235 HydrophobicContact CD1-CZ2 4.12Å; I67-W235 HydrophobicContact CG1-CH2 4.49Å; I67-W235 HydrophobicContact CG1-CZ2 3.96Å; I67-W235 HydrophobicContact CG2-CZ2 4.34Å; L201-W235 HydrophobicContact CD2-CZ3 4.06Å; V204-W235 HydrophobicContact CB-CD2 4.35Å; V204-W235 HydrophobicContact CB-CZ2 4.42Å; V204-W235 HydrophobicContact CG1-CD2 4.45Å; V204-W235 HydrophobicContact CG1-CG 4.23Å; V204-W235 HydrophobicContact CG2-CD2 3.91Å; V204-W235 HydrophobicContact CG2-CE3 4.16Å; V204-W235 HydrophobicContact CG2-CH2 4.1Å; V204-W235 HydrophobicContact CG2-CZ2 3.82Å; V204-W235 HydrophobicContact CG2-CZ3 4.24Å; I222-W235 HydrophobicContact CD1-CH2 4.17Å; P233-W235 HydrophobicContact CB-CD2 4.21Å; P233-W235 HydrophobicContact CB-CG 4.21Å; P233-W235 HydrophobicContact CB-CZ2 4.05Å; P233-W235 HydrophobicContact CG-CZ2 3.79Å; P233-W235 PolarHBondContact O-N 3.02Å; W235-T237 PolarHBondContact O-N 3.21Å; W235-T237 VanDerWaalsContact O-N 3.07Å; W235-L240 HydrophobicContact CE3-CD1 4.22Å; W235-L240 HydrophobicContact CE3-CD2 4.07Å; W235-L240 HydrophobicContact CZ3-CD2 3.88Å
236	C	96.6	Very high	96.9	Very high	11 Å²	11	65.5 Å²	65.5	7%	0.074	36%	0.355	C	S	.	.			trans	-84.7	62.3	179.7	-129.2	0	0	0	0	110.2	L232 P233 D234 L241	L232-C236 HydrophobicContact CB-CB 3.99Å; L232-C236 HydrophobicContact CD1-CB 4.42Å; P233-C236 WeakPolarHBondContact O-CB 3.5Å; P233-C236 PolarHBondContact O-N 3.42Å; D234-C236 PolarHBondContact O-N 3.48Å; C236-L241 VanDerWaalsContact SG-CD2 3.55Å
237	T	97.3	Very high	97	Very high	62 Å²	62	62 Å²	62	38%	0.38	34%	0.337	S	S	.	.			trans	-71.2	162.9	177.6	76.3	0	0	0	0	111.2	W235 E239 L240 L241	W235-T237 PolarHBondContact O-N 3.21Å; W235-T237 VanDerWaalsContact O-N 3.07Å; T237-E239 VanDerWaalsContact CB-OE2 3.32Å; T237-E239 WeakPolarHBondContact CB-OE2 3.25Å; T237-E239 PolarHBondContact O-N 3.48Å; T237-E239 PolarHBondContact OG1-OE2 2.95Å; T237-L240 PolarHBondContact O-N 3.09Å; T237-L240 VanDerWaalsContact O-N 3.13Å; T237-L240 PolarHBondContact OG1-N 3.16Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.27Å; T237-L241 PolarHBondContact O-N 3.4Å
238	D	97.4	Very high	97.1	Very high	135 Å²	135	61.6 Å²	61.6	72%	0.722	33%	0.331	S	S	*	.	H	α-helix	trans	-57.6	-37.3	177.9	-69.5	-23.7	0	0	0	112	L241 A242	D238-L241 PolarHBondContact O-N 2.68Å; D238-A242 WeakPolarHBondContact O-CB 3.46Å; D238-A242 PolarHBondContact O-N 3.41Å
239	E	98.1	Very high	97.1	Very high	141 Å²	141	64.5 Å²	64.5	66%	0.659	34%	0.341	S	S	*	.	H	α-helix	trans	-65.9	-45.5	176	-57.4	80	-172.5	0	0	111.8	T237 L241 A242 E243	T237-E239 VanDerWaalsContact CB-OE2 3.32Å; T237-E239 WeakPolarHBondContact CB-OE2 3.25Å; T237-E239 PolarHBondContact O-N 3.48Å; T237-E239 PolarHBondContact OG1-OE2 2.95Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 3.01Å; E239-A242 PolarHBondContact O-N 3.42Å; E239-E243 PolarHBondContact O-N 3.45Å
240	L	98	Very high	97.3	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-38.8	177.9	-175	146	0	0	0	111.1	L197 K200 W235 T237 E243 L244	L197-L240 HydrophobicContact CD1-CD1 4.14Å; L197-L240 HydrophobicContact CD1-CD2 4.18Å; L197-L240 HydrophobicContact CD1-CG 3.77Å; K200-L240 HydrophobicContact CG-CD1 4.02Å; W235-L240 HydrophobicContact CE3-CD1 4.22Å; W235-L240 HydrophobicContact CE3-CD2 4.07Å; W235-L240 HydrophobicContact CZ3-CD2 3.88Å; T237-L240 PolarHBondContact O-N 3.09Å; T237-L240 VanDerWaalsContact O-N 3.13Å; T237-L240 PolarHBondContact OG1-N 3.16Å; L240-E243 PolarHBondContact O-N 3.03Å; L240-L244 VanDerWaalsContact O-CB 3.24Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 2.9Å
241	L	98	Very high	97.4	Very high	18 Å²	18	59.4 Å²	59.4	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-43.5	175.8	-74.1	174.4	0	0	0	111.5	I222 I226 L232 C236 T237 D238 E239 L244 H245	I222-L241 HydrophobicContact CG2-CD2 3.48Å; I222-L241 VanDerWaalsContact CG2-CD2 3.48Å; I226-L241 HydrophobicContact CD1-CD2 4.4Å; L232-L241 HydrophobicContact CD1-CD1 3.84Å; C236-L241 VanDerWaalsContact SG-CD2 3.55Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.27Å; T237-L241 PolarHBondContact O-N 3.4Å; D238-L241 PolarHBondContact O-N 2.68Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 3.01Å; L241-L244 PolarHBondContact O-N 3.08Å; L241-H245 WeakPolarHBondContact O-CB 3.47Å; L241-H245 PolarHBondContact O-CD2 2.97Å; L241-H245 VanDerWaalsContact O-CG 3.29Å; L241-H245 PolarHBondContact O-N 3.34Å
242	A	98.3	Very high	97.6	Very high	62 Å²	62	54.7 Å²	54.7	51%	0.512	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-47	176.4	0	0	0	0	0	111.5	D238 E239 H245 E246	D238-A242 WeakPolarHBondContact O-CB 3.46Å; D238-A242 PolarHBondContact O-N 3.41Å; E239-A242 PolarHBondContact O-N 3.42Å; A242-H245 PolarHBondContact O-N 2.97Å; A242-E246 PolarHBondContact O-N 3.31Å
243	E	98.6	Very high	97.7	Very high	59 Å²	59	54 Å²	54	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-44.9	176.3	-164.7	-174.2	175.6	0	0	111.4	H194 L197 E239 L240 H245 E246 V247	H194-E243 IonicContact CD2-OE1 3.85Å; H194-E243 PolarHBondContact CD2-OE1 2.95Å; H194-E243 VanDerWaalsContact CD2-OE1 3.3Å; H194-E243 IonicContact CG-OE1 2.82Å; L197-E243 HydrophobicContact CD2-CG 4.12Å; E239-E243 PolarHBondContact O-N 3.45Å; L240-E243 PolarHBondContact O-N 3.03Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 3.01Å; E243-E246 PolarHBondContact O-N 3.3Å; E243-V247 WeakPolarHBondContact O-CB 3.32Å; E243-V247 VanDerWaalsContact O-CG2 3.29Å; E243-V247 WeakPolarHBondContact O-CG2 3.38Å; E243-V247 PolarHBondContact O-N 2.9Å
244	L	98.6	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-41.5	177	177.4	60	0	0	0	112.1	L201 V215 I218 L240 L241 V247 N248	L201-L244 HydrophobicContact CD1-CD1 3.99Å; V215-L244 HydrophobicContact CG2-CD1 3.85Å; I218-L244 HydrophobicContact CG2-CD2 4.42Å; L240-L244 VanDerWaalsContact O-CB 3.24Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 2.9Å; L241-L244 PolarHBondContact O-N 3.08Å; L244-V247 PolarHBondContact O-N 3.49Å; L244-N248 VanDerWaalsContact O-CB 3.23Å; L244-N248 WeakPolarHBondContact O-CB 3.41Å; L244-N248 PolarHBondContact O-N 3.45Å
245	H	97.7	Very high	98	Very high	65 Å²	65	49.4 Å²	49.4	30%	0.301	24%	0.244	S	C	.	.	H	α-helix	trans	-69.8	-37.3	177.4	-71.9	-45.4	0	0	0	112.5	L241 A242 E243 R249	L241-H245 WeakPolarHBondContact O-CB 3.47Å; L241-H245 PolarHBondContact O-CD2 2.97Å; L241-H245 VanDerWaalsContact O-CG 3.29Å; L241-H245 PolarHBondContact O-N 3.34Å; A242-H245 PolarHBondContact O-N 2.97Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 3.01Å; H245-R249 VanDerWaalsContact O-CB 3.25Å; H245-R249 WeakPolarHBondContact O-CB 3.36Å; H245-R249 PolarHBondContact O-N 3.17Å
246	E	98.3	Very high	98.1	Very high	96 Å²	96	49.2 Å²	49.2	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-50.4	171.3	179.6	177.5	166.8	0	0	111.2	F190 A242 E243 N248 R249 Y250	F190-E246 HydrophobicContact CZ-CG 4.42Å; A242-E246 PolarHBondContact O-N 3.31Å; E243-E246 PolarHBondContact O-N 3.3Å; E246-N248 PolarHBondContact O-N 2.74Å; E246-R249 PolarHBondContact O-N 2.75Å; E246-Y250 PolarHBondContact O-N 3.01Å
247	V	98.7	Very high	98.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-46.3	-179.9	169.3	0	0	0	0	111.5	F190 H194 L197 F198 V215 E243 L244 R249 Y250 Y251	F190-V247 HydrophobicContact CE1-CB 4.31Å; F190-V247 HydrophobicContact CE1-CG1 4.49Å; F190-V247 HydrophobicContact CE1-CG2 3.91Å; F190-V247 HydrophobicContact CZ-CG2 4.48Å; H194-V247 HydrophobicContact CB-CG2 3.97Å; H194-V247 VanDerWaalsContact CD2-CG2 3.45Å; H194-V247 WeakPolarHBondContact CD2-CG2 3.41Å; L197-V247 HydrophobicContact CD2-CB 4.16Å; L197-V247 HydrophobicContact CD2-CG1 4.45Å; L197-V247 HydrophobicContact CD2-CG2 3.78Å; F198-V247 HydrophobicContact CE2-CG1 4.22Å; F198-V247 HydrophobicContact CZ-CG1 3.77Å; V215-V247 HydrophobicContact CG1-CG1 4.18Å; V215-V247 HydrophobicContact CG2-CG1 4.25Å; E243-V247 WeakPolarHBondContact O-CB 3.32Å; E243-V247 VanDerWaalsContact O-CG2 3.29Å; E243-V247 WeakPolarHBondContact O-CG2 3.38Å; E243-V247 PolarHBondContact O-N 2.9Å; L244-V247 PolarHBondContact O-N 3.49Å; V247-R249 VanDerWaalsContact C-N 3.35Å; V247-R249 PolarHBondContact O-N 3.3Å; V247-Y250 PolarHBondContact O-N 3.12Å; V247-Y251 HydrophobicContact CG1-CD2 3.79Å; V247-Y251 HydrophobicContact CG1-CE2 3.73Å; V247-Y251 VanDerWaalsContact O-CD2 3.26Å; V247-Y251 WeakPolarHBondContact O-CD2 3.35Å; V247-Y251 PolarHBondContact O-N 3.35Å; V247-Y251 VanDerWaalsContact O-N 3.11Å
248	N	98.3	Very high	98.1	Very high	22 Å²	22	49 Å²	49	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-41.4	177.6	-173.6	60.5	0	0	0	111.8	W216 S219 L244 E246 Y251 W252	W216-N248 WeakPolarHBondContact CA-OD1 3.21Å; W216-N248 WeakPolarHBondContact CB-OD1 3.48Å; S219-N248 WeakPolarHBondContact OG-CB 3.39Å; S219-N248 PolarHBondContact OG-ND2 2.95Å; L244-N248 VanDerWaalsContact O-CB 3.23Å; L244-N248 WeakPolarHBondContact O-CB 3.41Å; L244-N248 PolarHBondContact O-N 3.45Å; E246-N248 PolarHBondContact O-N 2.74Å; N248-Y251 PolarHBondContact O-N 3.5Å; N248-W252 WeakPolarHBondContact O-CB 3.5Å; N248-W252 PolarHBondContact O-N 3.03Å
249	R	98.3	Very high	98.1	Very high	83 Å²	83	43.5 Å²	43.5	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-44.8	176.6	-174.8	-167.7	-63.4	113.1	2.7	111.5	H245 E246 V247 W252 V253 N322	H245-R249 VanDerWaalsContact O-CB 3.25Å; H245-R249 WeakPolarHBondContact O-CB 3.36Å; H245-R249 PolarHBondContact O-N 3.17Å; E246-R249 PolarHBondContact O-N 2.75Å; V247-R249 VanDerWaalsContact C-N 3.35Å; V247-R249 PolarHBondContact O-N 3.3Å; R249-W252 WeakPolarHBondContact O-CB 3.43Å; R249-W252 PolarHBondContact O-N 2.91Å; R249-V253 WeakPolarHBondContact O-CG2 3.35Å; R249-V253 PolarHBondContact O-N 2.79Å; R249-V253 VanDerWaalsContact O-N 3.08Å; R249-N322 WeakPolarHBondContact CD-O 3.5Å; R249-N322 WeakPolarHBondContact CG-O 3.39Å
250	Y	98.7	Very high	98	Very high	57 Å²	57	42.5 Å²	42.5	22%	0.224	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-51.2	178.4	178.3	-93.6	0	0	0	111.4	S186 F190 E246 V247 W252 V253 K254	S186-Y250 VanDerWaalsContact C-OH 3.29Å; S186-Y250 PolarHBondContact O-OH 3.46Å; F190-Y250 HydrophobicContact CB-CD1 4.16Å; F190-Y250 HydrophobicContact CB-CE1 3.56Å; F190-Y250 HydrophobicContact CB-CE2 4.5Å; F190-Y250 AromaticContact CD1-CD1 3.4Å; F190-Y250 HydrophobicContact CD1-CD1 3.4Å; F190-Y250 VanDerWaalsContact CD1-CD1 3.4Å; F190-Y250 HydrophobicContact CD1-CD2 4.48Å; F190-Y250 AromaticContact CD1-CE1 3.74Å; F190-Y250 HydrophobicContact CD1-CE1 3.74Å; F190-Y250 AromaticContact CD1-CG 3.81Å; F190-Y250 HydrophobicContact CD1-CG 3.81Å; F190-Y250 HydrophobicContact CD2-CD1 4.08Å; F190-Y250 AromaticContact CD2-CD2 3.79Å; F190-Y250 HydrophobicContact CD2-CD2 3.79Å; F190-Y250 HydrophobicContact CD2-CE1 4.04Å; F190-Y250 AromaticContact CD2-CE2 3.75Å; F190-Y250 HydrophobicContact CD2-CE2 3.75Å; F190-Y250 AromaticContact CD2-CG 3.94Å; F190-Y250 HydrophobicContact CD2-CG 3.94Å; F190-Y250 AromaticContact CD2-CZ 3.85Å; F190-Y250 AromaticContact CE1-CD1 3.71Å; F190-Y250 HydrophobicContact CE1-CD1 3.71Å; F190-Y250 HydrophobicContact CE1-CD2 4.42Å; F190-Y250 HydrophobicContact CE1-CE1 4.45Å; F190-Y250 AromaticContact CE1-CG 3.68Å; F190-Y250 HydrophobicContact CE1-CG 3.68Å; F190-Y250 HydrophobicContact CE2-CD1 4.35Å; F190-Y250 AromaticContact CE2-CD2 3.72Å; F190-Y250 HydrophobicContact CE2-CD2 3.72Å; F190-Y250 HydrophobicContact CE2-CE2 4.15Å; F190-Y250 AromaticContact CE2-CG 3.82Å; F190-Y250 HydrophobicContact CE2-CG 3.82Å; F190-Y250 AromaticContact CG-CD1 3.6Å; F190-Y250 HydrophobicContact CG-CD1 3.6Å; F190-Y250 HydrophobicContact CG-CD2 4.18Å; F190-Y250 AromaticContact CG-CE1 3.49Å; F190-Y250 HydrophobicContact CG-CE1 3.49Å; F190-Y250 VanDerWaalsContact CG-CE1 3.49Å; F190-Y250 HydrophobicContact CG-CE2 4.1Å; F190-Y250 AromaticContact CG-CG 3.94Å; F190-Y250 HydrophobicContact CG-CG 3.94Å; F190-Y250 AromaticContact CG-CZ 3.73Å; F190-Y250 HydrophobicContact CZ-CD1 4.18Å; F190-Y250 HydrophobicContact CZ-CD2 4.06Å; F190-Y250 AromaticContact CZ-CG 3.69Å; F190-Y250 HydrophobicContact CZ-CG 3.69Å; E246-Y250 PolarHBondContact O-N 3.01Å; V247-Y250 PolarHBondContact O-N 3.12Å; Y250-W252 PolarHBondContact O-N 3.34Å; Y250-V253 PolarHBondContact O-N 3.27Å; Y250-K254 HydrophobicContact CD1-CG 4.12Å; Y250-K254 HydrophobicContact CE1-CD 4.49Å; Y250-K254 HydrophobicContact CE1-CG 3.78Å; Y250-K254 WeakPolarHBondContact O-CG 3.27Å; Y250-K254 PolarHBondContact O-N 2.93Å; Y250-K254 WeakPolarHBondContact OH-CE 3.39Å
251	Y	98.6	Very high	98	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-30.4	-179.3	-72.6	-55.3	0	0	0	113.5	M182 S187 F190 E191 F198 R212 V215 V247 N248 K254 K255	M182-Y251 HydrophobicContact CE-CD1 3.47Å; M182-Y251 VanDerWaalsContact CE-CD1 3.47Å; M182-Y251 HydrophobicContact CE-CE1 4.28Å; M182-Y251 HydrophobicContact CE-CG 3.88Å; M182-Y251 HydrophobicContact SD-CD1 4.08Å; S187-Y251 PolarHBondContact O-OH 2.8Å; F190-Y251 HydrophobicContact CD1-CE2 4.05Å; F190-Y251 AromaticContact CD1-CZ 3.97Å; F190-Y251 HydrophobicContact CE1-CE2 4.44Å; E191-Y251 WeakPolarHBondContact CA-OH 3.48Å; E191-Y251 VanDerWaalsContact CB-OH 3.3Å; E191-Y251 WeakPolarHBondContact CB-OH 3.39Å; E191-Y251 PolarHBondContact N-OH 3.11Å; E191-Y251 VanDerWaalsContact N-OH 3.12Å; F198-Y251 AromaticContact CZ-CE2 3.94Å; F198-Y251 HydrophobicContact CZ-CE2 3.94Å; R212-Y251 HydrophobicContact CB-CD1 3.95Å; R212-Y251 HydrophobicContact CB-CD2 4.37Å; R212-Y251 HydrophobicContact CB-CE1 3.4Å; R212-Y251 VanDerWaalsContact CB-CE1 3.4Å; R212-Y251 HydrophobicContact CB-CE2 3.87Å; R212-Y251 HydrophobicContact CB-CG 4.41Å; R212-Y251 HydrophobicContact CG-CE1 4.48Å; V215-Y251 HydrophobicContact CG1-CD2 4.05Å; V247-Y251 HydrophobicContact CG1-CD2 3.79Å; V247-Y251 HydrophobicContact CG1-CE2 3.73Å; V247-Y251 VanDerWaalsContact O-CD2 3.26Å; V247-Y251 WeakPolarHBondContact O-CD2 3.35Å; V247-Y251 PolarHBondContact O-N 3.35Å; V247-Y251 VanDerWaalsContact O-N 3.11Å; N248-Y251 PolarHBondContact O-N 3.5Å; Y251-K254 PolarHBondContact O-N 3.07Å; Y251-K255 VanDerWaalsContact O-CB 3.3Å; Y251-K255 WeakPolarHBondContact O-CB 3.36Å; Y251-K255 PolarHBondContact O-N 3.27Å
252	W	98.3	Very high	98	Very high	30 Å²	30	44 Å²	44	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-50.6	170.4	179.4	-87.5	0	0	0	111.4	N248 R249 Y250 K254 K255 Y256 D307 T308 T311 Y320 T324	N248-W252 WeakPolarHBondContact O-CB 3.5Å; N248-W252 PolarHBondContact O-N 3.03Å; R249-W252 WeakPolarHBondContact O-CB 3.43Å; R249-W252 PolarHBondContact O-N 2.91Å; Y250-W252 PolarHBondContact O-N 3.34Å; W252-K254 PolarHBondContact O-N 3.31Å; W252-K255 PolarHBondContact O-N 3.5Å; W252-Y256 AromaticContact CD2-CD2 3.58Å; W252-Y256 HydrophobicContact CD2-CD2 3.58Å; W252-Y256 AromaticContact CD2-CE2 3.87Å; W252-Y256 HydrophobicContact CD2-CE2 3.87Å; W252-Y256 AromaticContact CE2-CD2 3.77Å; W252-Y256 AromaticContact CE3-CD2 3.71Å; W252-Y256 HydrophobicContact CE3-CD2 3.71Å; W252-Y256 AromaticContact CE3-CE2 3.46Å; W252-Y256 HydrophobicContact CE3-CE2 3.46Å; W252-Y256 VanDerWaalsContact CE3-CE2 3.46Å; W252-Y256 HydrophobicContact CG-CD2 4.05Å; W252-Y256 HydrophobicContact CH2-CD2 4.13Å; W252-Y256 AromaticContact CH2-CE2 3.98Å; W252-Y256 HydrophobicContact CH2-CE2 3.98Å; W252-Y256 HydrophobicContact CZ2-CD2 4.05Å; W252-Y256 HydrophobicContact CZ2-CE2 4.37Å; W252-Y256 AromaticContact CZ3-CD2 3.98Å; W252-Y256 HydrophobicContact CZ3-CD2 3.98Å; W252-Y256 AromaticContact CZ3-CE2 3.52Å; W252-Y256 HydrophobicContact CZ3-CE2 3.52Å; W252-Y256 WeakPolarHBondContact O-CB 3.27Å; W252-Y256 VanDerWaalsContact O-CD2 3.28Å; W252-Y256 WeakPolarHBondContact O-CD2 3.42Å; W252-Y256 PolarHBondContact O-N 3.41Å; W252-D307 HydrophobicContact CH2-CB 3.63Å; W252-D307 HydrophobicContact CZ2-CB 3.94Å; W252-T308 HydrophobicContact CH2-CG2 3.71Å; W252-T308 HydrophobicContact CZ2-CG2 4.27Å; W252-T308 HydrophobicContact CZ3-CG2 4.43Å; W252-T311 VanDerWaalsContact CZ2-OG1 3.29Å; W252-T311 WeakPolarHBondContact CZ2-OG1 3.34Å; W252-T311 PolarHBondContact NE1-OG1 2.79Å; W252-T311 VanDerWaalsContact NE1-OG1 3.12Å; W252-Y320 PolarHBondContact NE1-OH 2.89Å; W252-T324 HydrophobicContact CB-CG2 4.33Å; W252-T324 HydrophobicContact CD2-CG2 4.41Å; W252-T324 HydrophobicContact CG-CG2 4.16Å
253	V	98.4	Very high	98	Very high	30 Å²	30	41.2 Å²	41.2	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-44.4	177.6	173.8	0	0	0	0	111	R249 Y250 K255 S257 S258 Y320 N322	R249-V253 WeakPolarHBondContact O-CG2 3.35Å; R249-V253 PolarHBondContact O-N 2.79Å; R249-V253 VanDerWaalsContact O-N 3.08Å; Y250-V253 PolarHBondContact O-N 3.27Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.14Å; V253-S257 PolarHBondContact O-N 3.21Å; V253-S257 PolarHBondContact O-OG 3.24Å; V253-S258 PolarHBondContact O-N 2.99Å; V253-Y320 HydrophobicContact CG2-CE1 4.15Å; V253-N322 HydrophobicContact CG2-CB 3.73Å
254	K	98.1	Very high	97.9	Very high	40 Å²	40	40.2 Å²	40.2	17%	0.174	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-40.9	177	-74	-68	-174.6	176.4	0	112.7	Q181 M182 S186 Y250 Y251 W252 S258	Q181-K254 WeakPolarHBondContact CB-O 3.46Å; M182-K254 HydrophobicContact SD-CB 4.18Å; S186-K254 PolarHBondContact OG-NZ 3.21Å; Y250-K254 HydrophobicContact CD1-CG 4.12Å; Y250-K254 HydrophobicContact CE1-CD 4.49Å; Y250-K254 HydrophobicContact CE1-CG 3.78Å; Y250-K254 WeakPolarHBondContact O-CG 3.27Å; Y250-K254 PolarHBondContact O-N 2.93Å; Y250-K254 WeakPolarHBondContact OH-CE 3.39Å; Y251-K254 PolarHBondContact O-N 3.07Å; W252-K254 PolarHBondContact O-N 3.31Å; K254-S258 PolarHBondContact O-OG 3.32Å
255	K	98	Very high	97.9	Very high	55 Å²	55	40.2 Å²	40.2	24%	0.239	20%	0.195	C	C	.	.	H	α-helix	trans	-76.5	-40.4	-176.5	-166.9	170	178	178.8	0	112.1	Q178 M182 Y251 W252 V253	Q178-K255 HydrophobicContact CB-CG 4.11Å; Q178-K255 HydrophobicContact CG-CG 4.26Å; Q178-K255 WeakPolarHBondContact CG-O 3.5Å; M182-K255 HydrophobicContact CG-CB 4.5Å; M182-K255 HydrophobicContact CG-CG 4.49Å; M182-K255 HydrophobicContact SD-CB 3.85Å; M182-K255 HydrophobicContact SD-CG 4.4Å; Y251-K255 VanDerWaalsContact O-CB 3.3Å; Y251-K255 WeakPolarHBondContact O-CB 3.36Å; Y251-K255 PolarHBondContact O-N 3.27Å; W252-K255 PolarHBondContact O-N 3.5Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.14Å
256	Y	97.8	Very high	97.8	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-111.7	-20.3	-163.7	-58.3	-56.5	0	0	0	114.9	W252 T308 Y312	W252-Y256 AromaticContact CD2-CD2 3.58Å; W252-Y256 HydrophobicContact CD2-CD2 3.58Å; W252-Y256 AromaticContact CD2-CE2 3.87Å; W252-Y256 HydrophobicContact CD2-CE2 3.87Å; W252-Y256 AromaticContact CE2-CD2 3.77Å; W252-Y256 AromaticContact CE3-CD2 3.71Å; W252-Y256 HydrophobicContact CE3-CD2 3.71Å; W252-Y256 AromaticContact CE3-CE2 3.46Å; W252-Y256 HydrophobicContact CE3-CE2 3.46Å; W252-Y256 VanDerWaalsContact CE3-CE2 3.46Å; W252-Y256 HydrophobicContact CG-CD2 4.05Å; W252-Y256 HydrophobicContact CH2-CD2 4.13Å; W252-Y256 AromaticContact CH2-CE2 3.98Å; W252-Y256 HydrophobicContact CH2-CE2 3.98Å; W252-Y256 HydrophobicContact CZ2-CD2 4.05Å; W252-Y256 HydrophobicContact CZ2-CE2 4.37Å; W252-Y256 AromaticContact CZ3-CD2 3.98Å; W252-Y256 HydrophobicContact CZ3-CD2 3.98Å; W252-Y256 AromaticContact CZ3-CE2 3.52Å; W252-Y256 HydrophobicContact CZ3-CE2 3.52Å; W252-Y256 WeakPolarHBondContact O-CB 3.27Å; W252-Y256 VanDerWaalsContact O-CD2 3.28Å; W252-Y256 WeakPolarHBondContact O-CD2 3.42Å; W252-Y256 PolarHBondContact O-N 3.41Å; Y256-T308 HydrophobicContact CD1-CG2 4.1Å; Y256-T308 HydrophobicContact CD2-CG2 4.37Å; Y256-T308 HydrophobicContact CE1-CG2 3.75Å; Y256-T308 HydrophobicContact CE2-CG2 4.1Å; Y256-T308 HydrophobicContact CG-CG2 4.36Å; Y256-Y312 HydrophobicContact CD1-CE1 4.2Å; Y256-Y312 AromaticContact CD1-CZ 3.81Å; Y256-Y312 WeakPolarHBondContact CD1-OH 3.45Å; Y256-Y312 HydrophobicContact CG-CE1 4.47Å; Y256-Y312 WeakPolarHBondContact O-CD1 3.3Å; Y256-Y312 WeakPolarHBondContact O-CE1 3.34Å
257	S	97.4	Very high	97.8	Very high	20 Å²	20	33.4 Å²	33.4	14%	0.14	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	10.5	-171.7	70.7	0	0	0	0	115.1	V253 Y320	V253-S257 PolarHBondContact O-N 3.21Å; V253-S257 PolarHBondContact O-OG 3.24Å; S257-Y320 VanDerWaalsContact OG-CE1 3.27Å; S257-Y320 WeakPolarHBondContact OG-CE1 3.23Å
258	S	96.4	Very high	97.8	Very high	48 Å²	48	33.4 Å²	33.4	34%	0.336	16%	0.163	S	C	.	.	S	Bend	trans	-88.6	-3.3	-177.6	69	0	0	0	0	114.6	Q181 V253 K254	Q181-S258 VanDerWaalsContact CD-OG 3.28Å; Q181-S258 VanDerWaalsContact CG-OG 3.3Å; Q181-S258 WeakPolarHBondContact CG-OG 3.4Å; Q181-S258 PolarHBondContact OE1-OG 2.91Å; V253-S258 PolarHBondContact O-N 2.99Å; K254-S258 PolarHBondContact O-OG 3.32Å
259	S	96.9	Very high	97.8	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.133	16%	0.159	C	C	.	.			trans	-143	128.7	-176.5	172.3	0	0	0	0	111	D261 I262 I263	S259-D261 PolarHBondContact O-N 3.04Å; S259-D261 PolarHBondContact OG-N 2.87Å; S259-I262 PolarHBondContact O-N 2.92Å; S259-I262 VanDerWaalsContact O-N 3.16Å; S259-I263 WeakPolarHBondContact O-CG1 3.46Å; S259-I263 PolarHBondContact O-N 3.2Å; S259-I263 VanDerWaalsContact O-N 3.09Å
260	D	97.3	Very high	97.8	Very high	121 Å²	121	29 Å²	29	65%	0.647	15%	0.145	S	C	*	.	H	α-helix	trans	-62.5	-29.5	174.8	-69.1	-10.7	0	0	0	112	I263 R264 L391	D260-I263 PolarHBondContact O-N 3.13Å; D260-R264 WeakPolarHBondContact O-CB 3.32Å; D260-R264 PolarHBondContact O-N 3.3Å; D260-L391 HydrophobicContact CB-CD2 4.42Å
261	D	97	Very high	97.7	Very high	69 Å²	69	26.2 Å²	26.2	37%	0.369	14%	0.135	S	C	.	.	H	α-helix	trans	-66.6	-40.9	174.6	-74.4	-41.3	0	0	0	111.9	L177 S259 R264 L265	L177-D261 HydrophobicContact CD1-CB 3.75Å; S259-D261 PolarHBondContact O-N 3.04Å; S259-D261 PolarHBondContact OG-N 2.87Å; D261-R264 PolarHBondContact O-N 3.22Å; D261-R264 IonicContact OD1-NE 3.96Å; D261-R264 IonicContact OD1-NH2 3.01Å; D261-L265 WeakPolarHBondContact O-CB 3.27Å; D261-L265 VanDerWaalsContact O-CG 3.27Å; D261-L265 WeakPolarHBondContact O-CG 3.37Å; D261-L265 PolarHBondContact O-N 3.09Å
262	I	97.7	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-48.9	174.9	-64.5	173	0	0	0	109.4	R174 L177 Q178 Q181 S259 R264 L265 E266 Y312	R174-I262 HydrophobicContact CG-CG2 4.49Å; L177-I262 HydrophobicContact CB-CD1 4.09Å; L177-I262 HydrophobicContact CB-CG1 3.71Å; L177-I262 HydrophobicContact CD1-CG1 4.31Å; Q178-I262 HydrophobicContact CG-CD1 3.97Å; Q178-I262 HydrophobicContact CG-CG1 4.39Å; Q178-I262 HydrophobicContact CG-CG2 4.19Å; Q181-I262 HydrophobicContact CG-CD1 3.92Å; S259-I262 PolarHBondContact O-N 2.92Å; S259-I262 VanDerWaalsContact O-N 3.16Å; I262-R264 PolarHBondContact O-N 2.88Å; I262-L265 PolarHBondContact O-N 3.39Å; I262-E266 VanDerWaalsContact O-CG 3.24Å; I262-E266 WeakPolarHBondContact O-CG 3.37Å; I262-E266 PolarHBondContact O-N 3.12Å; I262-E266 VanDerWaalsContact O-N 3.14Å; I262-Y312 HydrophobicContact CG2-CE1 4.06Å
263	I	98.2	Very high	97.4	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-47	179.5	-64.4	164.7	0	0	0	110.3	S259 D260 L265 E266 I267 A315 L391	S259-I263 WeakPolarHBondContact O-CG1 3.46Å; S259-I263 PolarHBondContact O-N 3.2Å; S259-I263 VanDerWaalsContact O-N 3.09Å; D260-I263 PolarHBondContact O-N 3.13Å; I263-L265 PolarHBondContact O-N 2.7Å; I263-E266 PolarHBondContact O-N 2.78Å; I263-E266 VanDerWaalsContact O-N 3.16Å; I263-I267 HydrophobicContact CG2-CD1 3.79Å; I263-I267 HydrophobicContact CG2-CG1 3.85Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.2Å; I263-A315 HydrophobicContact CD1-CB 3.69Å; I263-A315 HydrophobicContact CG1-CB 4.25Å; I263-L391 HydrophobicContact CG2-CD1 4.15Å; I263-L391 HydrophobicContact CG2-CD2 4.28Å
264	R	97.9	Very high	97.3	Very high	37 Å²	37	26.1 Å²	26.1	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-43	179.6	-179.2	177.3	69.7	73.9	3.5	112.4	D260 D261 I262 E266 G268 P390 L391 L393 E401	D260-R264 WeakPolarHBondContact O-CB 3.32Å; D260-R264 PolarHBondContact O-N 3.3Å; D261-R264 PolarHBondContact O-N 3.22Å; D261-R264 IonicContact OD1-NE 3.96Å; D261-R264 IonicContact OD1-NH2 3.01Å; I262-R264 PolarHBondContact O-N 2.88Å; R264-E266 VanDerWaalsContact C-N 3.28Å; R264-E266 PolarHBondContact O-N 2.84Å; R264-G268 WeakPolarHBondContact O-CA 3.48Å; R264-G268 PolarHBondContact O-N 3.49Å; R264-P390 VanDerWaalsContact CD-O 3.31Å; R264-P390 WeakPolarHBondContact CD-O 2.99Å; R264-L391 HydrophobicContact CB-CD2 4.04Å; R264-L391 WeakPolarHBondContact CG-O 3.41Å; R264-L393 VanDerWaalsContact NH1-CD1 3.33Å; R264-E401 IonicContact CZ-OE1 3.17Å; R264-E401 IonicContact CZ-OE2 2.75Å; R264-E401 IonicContact NH1-OE1 3.03Å; R264-E401 PolarHBondContact NH1-OE1 2.86Å; R264-E401 IonicContact NH1-OE2 3.27Å; R264-E401 PolarHBondContact NH1-OE2 2.81Å; R264-E401 VanDerWaalsContact NH1-OE2 3.12Å; R264-E401 IonicContact NH2-OE1 3.76Å; R264-E401 IonicContact NH2-OE2 3.49Å; R264-E401 PolarHBondContact NH2-OE2 3.08Å
265	L	97.3	Very high	97.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-33.3	177.9	-71.7	168	0	0	0	111.8	Y173 R174 L177 D261 I262 I263 L393 F398 E401	Y173-L265 HydrophobicContact CD1-CD1 3.7Å; Y173-L265 HydrophobicContact CE1-CD1 4.05Å; R174-L265 HydrophobicContact CB-CB 4.37Å; R174-L265 HydrophobicContact CB-CD1 3.9Å; L177-L265 HydrophobicContact CD1-CD1 3.98Å; D261-L265 WeakPolarHBondContact O-CB 3.27Å; D261-L265 VanDerWaalsContact O-CG 3.27Å; D261-L265 WeakPolarHBondContact O-CG 3.37Å; D261-L265 PolarHBondContact O-N 3.09Å; I262-L265 PolarHBondContact O-N 3.39Å; I263-L265 PolarHBondContact O-N 2.7Å; L265-L393 HydrophobicContact CD2-CD2 4.13Å; L265-F398 WeakPolarHBondContact O-CD2 3.47Å; L265-F398 VanDerWaalsContact O-CE2 3.27Å; L265-F398 WeakPolarHBondContact O-CE2 3.42Å; L265-E401 HydrophobicContact CD2-CB 4.2Å
266	E	97.2	Very high	96.9	Very high	14 Å²	14	28 Å²	28	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-83.5	-41.9	-175	-68.3	-80.7	-135.1	0	0	113.6	R174 I262 I263 R264 Y312	R174-E266 WeakPolarHBondContact CD-OE1 3.2Å; R174-E266 WeakPolarHBondContact CD-OE2 3.47Å; R174-E266 HydrophobicContact CG-CG 4.39Å; R174-E266 IonicContact CZ-OE1 3.77Å; R174-E266 IonicContact CZ-OE2 2.89Å; R174-E266 IonicContact NE-OE1 3.91Å; R174-E266 IonicContact NE-OE2 3.91Å; R174-E266 IonicContact NH1-OE1 2.82Å; R174-E266 IonicContact NH1-OE2 3.3Å; R174-E266 PolarHBondContact NH1-OE2 2.91Å; I262-E266 VanDerWaalsContact O-CG 3.24Å; I262-E266 WeakPolarHBondContact O-CG 3.37Å; I262-E266 PolarHBondContact O-N 3.12Å; I262-E266 VanDerWaalsContact O-N 3.14Å; I263-E266 PolarHBondContact O-N 2.78Å; I263-E266 VanDerWaalsContact O-N 3.16Å; R264-E266 VanDerWaalsContact C-N 3.28Å; R264-E266 PolarHBondContact O-N 2.84Å; E266-Y312 HydrophobicContact CB-CD1 4.11Å; E266-Y312 HydrophobicContact CB-CD2 3.6Å; E266-Y312 HydrophobicContact CB-CE1 4.13Å; E266-Y312 HydrophobicContact CB-CE2 3.62Å; E266-Y312 HydrophobicContact CB-CG 3.86Å; E266-Y312 VanDerWaalsContact CD-CE2 3.45Å; E266-Y312 HydrophobicContact CG-CD1 4.29Å; E266-Y312 HydrophobicContact CG-CD2 4.03Å; E266-Y312 HydrophobicContact CG-CE1 3.79Å; E266-Y312 HydrophobicContact CG-CE2 3.5Å; E266-Y312 VanDerWaalsContact CG-CE2 3.5Å; E266-Y312 HydrophobicContact CG-CG 4.4Å; E266-Y312 WeakPolarHBondContact CG-OH 3.18Å; E266-Y312 VanDerWaalsContact OE1-CE2 3.26Å; E266-Y312 WeakPolarHBondContact OE1-CE2 3.25Å; E266-Y312 PolarHBondContact OE1-OH 3.19Å
267	I	97.7	Very high	96.6	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-115.1	0.1	-175.9	60	158.1	0	0	0	113.9	I263 V269 F270 L271 Y312 I313	I263-I267 HydrophobicContact CG2-CD1 3.79Å; I263-I267 HydrophobicContact CG2-CG1 3.85Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.2Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.23Å; I267-F270 HydrophobicContact CB-CB 4.49Å; I267-F270 CarbonylContact O-C 3.41Å; I267-F270 WeakPolarHBondContact O-CA 3.43Å; I267-F270 WeakPolarHBondContact O-CB 3.41Å; I267-F270 PolarHBondContact O-N 3.3Å; I267-F270 VanDerWaalsContact O-N 3.12Å; I267-L271 HydrophobicContact CB-CG 4.49Å; I267-L271 HydrophobicContact CD1-CD1 3.66Å; I267-L271 HydrophobicContact CD1-CD2 4.39Å; I267-L271 HydrophobicContact CD1-CG 4Å; I267-L271 HydrophobicContact CG1-CD1 4.1Å; I267-L271 HydrophobicContact CG1-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 2.9Å; I267-Y312 WeakPolarHBondContact CD1-O 3.26Å; I267-Y312 HydrophobicContact CG2-CG 4.33Å; I267-I313 HydrophobicContact CB-CD1 4.04Å; I267-I313 HydrophobicContact CD1-CD1 4.13Å; I267-I313 HydrophobicContact CG2-CD1 3.73Å; I267-I313 HydrophobicContact CG2-CG1 4.18Å
268	G	98.1	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-35.1	-174.4	0	0	0	0	0	114	R264 N272 L391 L393	R264-G268 WeakPolarHBondContact O-CA 3.48Å; R264-G268 PolarHBondContact O-N 3.49Å; G268-N272 VanDerWaalsContact O-CB 3.3Å; G268-N272 WeakPolarHBondContact O-CB 3.27Å; G268-N272 PolarHBondContact O-N 3.07Å; G268-L391 WeakPolarHBondContact CA-O 3.48Å; G268-L393 CarbonylContact C-O 3.48Å; G268-L393 PolarHBondContact O-N 2.95Å
269	V	97.8	Very high	96.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-70.3	-39.9	174	179.9	0	0	0	0	111.1	T164 L165 I267 N272 T273 L393 F398	T164-V269 WeakPolarHBondContact O-CB 3.44Å; L165-V269 HydrophobicContact CD1-CG1 4.37Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.23Å; V269-N272 PolarHBondContact O-N 3.44Å; V269-T273 PolarHBondContact O-N 2.81Å; V269-T273 PolarHBondContact O-OG1 2.95Å; V269-L393 WeakPolarHBondContact CA-O 3.4Å; V269-F398 HydrophobicContact CG2-CB 4Å; V269-F398 HydrophobicContact CG2-CG 4.41Å
270	F	98.1	Very high	95.9	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-51.7	172.5	178	-90.3	0	0	0	111.1	H50 L52 L165 I267 N272 T273 F274 Y303 I313	H50-F270 AromaticContact ND1-CZ 3.77Å; L52-F270 HydrophobicContact CD1-CE2 4.28Å; L165-F270 WeakPolarHBondContact O-CB 3.37Å; I267-F270 HydrophobicContact CB-CB 4.49Å; I267-F270 CarbonylContact O-C 3.41Å; I267-F270 WeakPolarHBondContact O-CA 3.43Å; I267-F270 WeakPolarHBondContact O-CB 3.41Å; I267-F270 PolarHBondContact O-N 3.3Å; I267-F270 VanDerWaalsContact O-N 3.12Å; F270-N272 VanDerWaalsContact C-N 3.34Å; F270-N272 PolarHBondContact O-N 3.24Å; F270-T273 WeakPolarHBondContact O-CA 3.3Å; F270-T273 WeakPolarHBondContact O-CB 3.42Å; F270-T273 PolarHBondContact O-N 2.92Å; F270-T273 VanDerWaalsContact O-N 3.11Å; F270-F274 PolarHBondContact O-N 3.16Å; F270-Y303 HydrophobicContact CE2-CD1 4.36Å; F270-Y303 AromaticContact CE2-CD2 3.79Å; F270-Y303 HydrophobicContact CE2-CD2 3.79Å; F270-Y303 HydrophobicContact CE2-CE1 4.35Å; F270-Y303 AromaticContact CE2-CE2 3.77Å; F270-Y303 HydrophobicContact CE2-CE2 3.77Å; F270-Y303 HydrophobicContact CE2-CG 4.08Å; F270-Y303 HydrophobicContact CZ-CD2 4.33Å; F270-Y303 HydrophobicContact CZ-CE2 4.27Å; F270-I313 HydrophobicContact CD1-CD1 3.36Å; F270-I313 HydrophobicContact CE1-CD1 3.48Å; F270-I313 VanDerWaalsContact CE1-CD1 3.48Å; F270-I313 HydrophobicContact CG-CD1 4.16Å; F270-I313 HydrophobicContact CZ-CD1 4.33Å
271	L	98.1	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-40.6	-179.9	-67.6	179.1	0	0	0	111.4	I267 T273 F274 V275 F317 I388 L391 L392	I267-L271 HydrophobicContact CB-CG 4.49Å; I267-L271 HydrophobicContact CD1-CD1 3.66Å; I267-L271 HydrophobicContact CD1-CD2 4.39Å; I267-L271 HydrophobicContact CD1-CG 4Å; I267-L271 HydrophobicContact CG1-CD1 4.1Å; I267-L271 HydrophobicContact CG1-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 2.9Å; L271-T273 VanDerWaalsContact C-N 3.26Å; L271-T273 PolarHBondContact O-N 3.14Å; L271-F274 WeakPolarHBondContact O-CB 3.29Å; L271-F274 PolarHBondContact O-N 3.14Å; L271-F274 VanDerWaalsContact O-N 3.17Å; L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 3.36Å; L271-F317 HydrophobicContact CD2-CE2 3.82Å; L271-F317 HydrophobicContact CD2-CZ 4.07Å; L271-I388 HydrophobicContact CD1-CB 4.38Å; L271-I388 HydrophobicContact CD2-CD1 4.25Å; L271-L391 HydrophobicContact CD1-CB 3.67Å; L271-L391 HydrophobicContact CD1-CD1 4.14Å; L271-L392 HydrophobicContact CB-CD2 3.56Å
272	N	96.5	Very high	95.2	Very high	32 Å²	32	18.8 Å²	18.8	17%	0.171	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-38.2	175.1	-170.8	38.7	0	0	0	111.9	G268 V269 F270 K276 L393	G268-N272 VanDerWaalsContact O-CB 3.3Å; G268-N272 WeakPolarHBondContact O-CB 3.27Å; G268-N272 PolarHBondContact O-N 3.07Å; V269-N272 PolarHBondContact O-N 3.44Å; F270-N272 VanDerWaalsContact C-N 3.34Å; F270-N272 PolarHBondContact O-N 3.24Å; N272-K276 VanDerWaalsContact O-CG 3.28Å; N272-K276 WeakPolarHBondContact O-CG 3.26Å; N272-K276 PolarHBondContact O-N 3.5Å; N272-K276 VanDerWaalsContact O-N 3.13Å; N272-L393 WeakPolarHBondContact CB-O 3.46Å
273	T	93.3	Very high	94.8	Very high	34 Å²	34	24.2 Å²	24.2	21%	0.209	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-46	173.5	-57.1	0	0	0	0	111.4	L165 V269 F270 L271 V275 K276 H277	L165-T273 HydrophobicContact CD1-CG2 4.22Å; L165-T273 WeakPolarHBondContact CD1-OG1 3.44Å; V269-T273 PolarHBondContact O-N 2.81Å; V269-T273 PolarHBondContact O-OG1 2.95Å; F270-T273 WeakPolarHBondContact O-CA 3.3Å; F270-T273 WeakPolarHBondContact O-CB 3.42Å; F270-T273 PolarHBondContact O-N 2.92Å; F270-T273 VanDerWaalsContact O-N 3.11Å; L271-T273 VanDerWaalsContact C-N 3.26Å; L271-T273 PolarHBondContact O-N 3.14Å; T273-V275 PolarHBondContact O-N 3.01Å; T273-K276 PolarHBondContact O-N 2.55Å; T273-H277 PolarHBondContact O-CD2 3.11Å; T273-H277 PolarHBondContact O-N 3.13Å
274	F	95.6	Very high	94.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-56.3	-50.8	175.2	170	-106.8	0	0	0	111.8	H50 F270 L271 K276 H277 I278 F317 L333 I349 I388	H50-F274 HydrophobicContact CB-CD2 4.44Å; H50-F274 AromaticContact CE1-CD2 3.9Å; H50-F274 AromaticContact CG-CD2 3.98Å; H50-F274 AromaticContact ND1-CD2 3.42Å; H50-F274 WeakPolarHBondContact ND1-CD2 3.29Å; F270-F274 PolarHBondContact O-N 3.16Å; L271-F274 WeakPolarHBondContact O-CB 3.29Å; L271-F274 PolarHBondContact O-N 3.14Å; L271-F274 VanDerWaalsContact O-N 3.17Å; F274-K276 PolarHBondContact O-N 3.45Å; F274-H277 WeakPolarHBondContact O-CB 3.29Å; F274-H277 PolarHBondContact O-N 3.43Å; F274-H277 VanDerWaalsContact O-N 3.11Å; F274-I278 HydrophobicContact CD1-CG1 4.47Å; F274-I278 HydrophobicContact CD2-CD1 4.34Å; F274-I278 HydrophobicContact CD2-CG1 4.07Å; F274-I278 HydrophobicContact CE1-CG1 4.11Å; F274-I278 HydrophobicContact CE2-CD1 3.7Å; F274-I278 HydrophobicContact CE2-CG1 3.7Å; F274-I278 HydrophobicContact CG-CG1 4.46Å; F274-I278 HydrophobicContact CZ-CD1 3.98Å; F274-I278 HydrophobicContact CZ-CG1 3.72Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.36Å; F274-F317 HydrophobicContact CE1-CZ 4.11Å; F274-L333 HydrophobicContact CD2-CD1 4.01Å; F274-L333 HydrophobicContact CE1-CD1 4.45Å; F274-L333 HydrophobicContact CE2-CB 4.01Å; F274-L333 HydrophobicContact CE2-CD1 3.72Å; F274-L333 HydrophobicContact CE2-CG 4.49Å; F274-L333 HydrophobicContact CG-CD1 4.47Å; F274-L333 HydrophobicContact CZ-CB 4.39Å; F274-L333 HydrophobicContact CZ-CD1 3.96Å; F274-I349 HydrophobicContact CE1-CD1 4.14Å; F274-I349 HydrophobicContact CZ-CD1 3.78Å; F274-I349 HydrophobicContact CZ-CG1 4.4Å; F274-I388 HydrophobicContact CD1-CD1 4.17Å; F274-I388 HydrophobicContact CE1-CD1 4.27Å
275	V	95.9	Very high	93.6	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.085	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-44.3	179.4	172.6	0	0	0	0	111.7	L271 T273 H277 I278 H279 L385 I388 L392	L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 3.36Å; T273-V275 PolarHBondContact O-N 3.01Å; V275-H277 VanDerWaalsContact C-N 3.34Å; V275-H277 PolarHBondContact O-N 3.46Å; V275-I278 PolarHBondContact O-N 3.4Å; V275-H279 VanDerWaalsContact CG1-CD2 3.48Å; V275-H279 WeakPolarHBondContact CG1-CD2 3.31Å; V275-H279 PolarHBondContact O-CD2 3.49Å; V275-H279 VanDerWaalsContact O-CD2 3.31Å; V275-H279 PolarHBondContact O-N 3.03Å; V275-L385 HydrophobicContact CB-CD2 4.33Å; V275-L385 HydrophobicContact CG1-CD2 4.19Å; V275-L385 HydrophobicContact CG2-CD2 3.61Å; V275-I388 HydrophobicContact CG2-CD1 3.86Å; V275-L392 HydrophobicContact CG2-CD1 4.27Å; V275-L392 HydrophobicContact CG2-CD2 3.87Å
276	K	92.6	Very high	92.7	Very high	119 Å²	119	36 Å²	36	52%	0.517	19%	0.186	S	C	.	.	H	α-helix	trans	-59	-44.3	174.5	-73.7	173	-178.9	-179.7	0	111.9	N272 T273 F274 H279 S280	N272-K276 VanDerWaalsContact O-CG 3.28Å; N272-K276 WeakPolarHBondContact O-CG 3.26Å; N272-K276 PolarHBondContact O-N 3.5Å; N272-K276 VanDerWaalsContact O-N 3.13Å; T273-K276 PolarHBondContact O-N 2.55Å; F274-K276 PolarHBondContact O-N 3.45Å; K276-H279 PolarHBondContact O-N 3.23Å; K276-S280 PolarHBondContact O-N 2.89Å; K276-S280 PolarHBondContact O-OG 2.88Å
277	H	92.1	Very high	91.7	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-48.1	177.4	-74.7	-147.7	0	0	0	111.5	H50 T273 F274 V275 H279 S280 I281 L287	H50-H277 AromaticContact NE2-CE1 3.97Å; H50-H277 AromaticContact NE2-ND1 3.33Å; H50-H277 PolarHBondContact NE2-ND1 2.85Å; T273-H277 PolarHBondContact O-CD2 3.11Å; T273-H277 PolarHBondContact O-N 3.13Å; F274-H277 WeakPolarHBondContact O-CB 3.29Å; F274-H277 PolarHBondContact O-N 3.43Å; F274-H277 VanDerWaalsContact O-N 3.11Å; V275-H277 VanDerWaalsContact C-N 3.34Å; V275-H277 PolarHBondContact O-N 3.46Å; H277-H279 PolarHBondContact O-N 3.36Å; H277-S280 PolarHBondContact O-N 2.97Å; H277-I281 WeakPolarHBondContact O-CD1 3.34Å; H277-I281 WeakPolarHBondContact O-CG1 3.29Å; H277-I281 PolarHBondContact O-N 3.43Å; H277-L287 HydrophobicContact CB-CD1 4.3Å
278	I	92.9	Very high	90.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-46.4	179.3	-62.2	-58.2	0	0	0	110.9	F274 V275 S280 I281 I282 L335 V381	F274-I278 HydrophobicContact CD1-CG1 4.47Å; F274-I278 HydrophobicContact CD2-CD1 4.34Å; F274-I278 HydrophobicContact CD2-CG1 4.07Å; F274-I278 HydrophobicContact CE1-CG1 4.11Å; F274-I278 HydrophobicContact CE2-CD1 3.7Å; F274-I278 HydrophobicContact CE2-CG1 3.7Å; F274-I278 HydrophobicContact CG-CG1 4.46Å; F274-I278 HydrophobicContact CZ-CD1 3.98Å; F274-I278 HydrophobicContact CZ-CG1 3.72Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.36Å; V275-I278 PolarHBondContact O-N 3.4Å; I278-S280 PolarHBondContact O-N 2.8Å; I278-I281 PolarHBondContact O-N 3.46Å; I278-I282 HydrophobicContact CG2-CD1 3.71Å; I278-I282 HydrophobicContact CG2-CG1 4.45Å; I278-I282 VanDerWaalsContact O-CG1 3.3Å; I278-I282 WeakPolarHBondContact O-CG1 3.37Å; I278-I282 PolarHBondContact O-N 3.41Å; I278-L335 HydrophobicContact CD1-CB 4Å; I278-L335 HydrophobicContact CD1-CD1 4.19Å; I278-L335 HydrophobicContact CD1-CD2 3.82Å; I278-L335 HydrophobicContact CD1-CG 4.21Å; I278-L335 HydrophobicContact CG2-CD1 4.28Å; I278-L335 HydrophobicContact CG2-CD2 4.46Å; I278-V381 HydrophobicContact CG2-CG1 3.8Å; I278-V381 HydrophobicContact CG2-CG2 4.44Å
279	H	92.4	Very high	89.2	Confident	65 Å²	65	44.3 Å²	44.3	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-45.6	177.6	-78.5	-50.8	0	0	0	112.5	V275 K276 H277 I281 I282 H283 E344	V275-H279 VanDerWaalsContact CG1-CD2 3.48Å; V275-H279 WeakPolarHBondContact CG1-CD2 3.31Å; V275-H279 PolarHBondContact O-CD2 3.49Å; V275-H279 VanDerWaalsContact O-CD2 3.31Å; V275-H279 PolarHBondContact O-N 3.03Å; K276-H279 PolarHBondContact O-N 3.23Å; H277-H279 PolarHBondContact O-N 3.36Å; H279-I281 VanDerWaalsContact C-N 3.32Å; H279-I281 PolarHBondContact O-N 3.09Å; H279-I282 PolarHBondContact O-N 2.87Å; H279-H283 WeakPolarHBondContact O-CB 3.03Å; H279-H283 PolarHBondContact O-N 3.28Å; H279-H283 PolarHBondContact O-ND1 3.34Å; H279-E344 IonicContact CE1-OE1 3.82Å
280	S	89.9	Confident	87.4	Confident	13 Å²	13	50 Å²	50	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-38	179.7	-64.3	0	0	0	0	112.3	K276 H277 I278 H283 G284 E285 L287	K276-S280 PolarHBondContact O-N 2.89Å; K276-S280 PolarHBondContact O-OG 2.88Å; H277-S280 PolarHBondContact O-N 2.97Å; I278-S280 PolarHBondContact O-N 2.8Å; S280-H283 PolarHBondContact O-N 3.34Å; S280-G284 CarbonylContact O-C 3.58Å; S280-G284 PolarHBondContact O-N 2.94Å; S280-E285 PolarHBondContact O-N 2.97Å; S280-E285 PolarHBondContact OG-OE2 2.93Å; S280-L287 VanDerWaalsContact CB-CD2 3.47Å; S280-L287 WeakPolarHBondContact OG-CD2 3.48Å
281	I	89.6	Confident	85.4	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-46.4	174.9	-67.1	156.4	0	0	0	111.1	K47 H48 H277 I278 H279 H283 G284 L287 L335	K47-I281 HydrophobicContact CB-CG2 4.2Å; H48-I281 HydrophobicContact CB-CD1 3.42Å; H48-I281 VanDerWaalsContact CB-CD1 3.42Å; H48-I281 VanDerWaalsContact CG-CD1 3.43Å; H277-I281 WeakPolarHBondContact O-CD1 3.34Å; H277-I281 WeakPolarHBondContact O-CG1 3.29Å; H277-I281 PolarHBondContact O-N 3.43Å; I278-I281 PolarHBondContact O-N 3.46Å; H279-I281 VanDerWaalsContact C-N 3.32Å; H279-I281 PolarHBondContact O-N 3.09Å; I281-H283 VanDerWaalsContact C-N 3.31Å; I281-H283 PolarHBondContact O-N 3.31Å; I281-G284 PolarHBondContact O-N 3.28Å; I281-L287 HydrophobicContact CG1-CD1 4.24Å; I281-L335 HydrophobicContact CB-CD2 4.19Å; I281-L335 HydrophobicContact CD1-CD2 4.21Å; I281-L335 HydrophobicContact CG2-CD2 3.78Å
282	I	90.2	Very high	83.5	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-37.8	-178.4	-69.9	173.9	0	0	0	111.6	I278 H279 E344 Y347 V381	I278-I282 HydrophobicContact CG2-CD1 3.71Å; I278-I282 HydrophobicContact CG2-CG1 4.45Å; I278-I282 VanDerWaalsContact O-CG1 3.3Å; I278-I282 WeakPolarHBondContact O-CG1 3.37Å; I278-I282 PolarHBondContact O-N 3.41Å; H279-I282 PolarHBondContact O-N 2.87Å; I282-E344 HydrophobicContact CD1-CG 4.23Å; I282-E344 HydrophobicContact CG2-CB 4.37Å; I282-Y347 HydrophobicContact CB-CE2 4.35Å; I282-Y347 HydrophobicContact CD1-CD1 4.43Å; I282-Y347 HydrophobicContact CD1-CD2 4.16Å; I282-Y347 HydrophobicContact CD1-CG 4.01Å; I282-Y347 HydrophobicContact CG1-CD1 3.9Å; I282-Y347 HydrophobicContact CG1-CD2 3.93Å; I282-Y347 HydrophobicContact CG1-CE1 3.98Å; I282-Y347 HydrophobicContact CG1-CE2 4Å; I282-Y347 HydrophobicContact CG1-CG 3.86Å; I282-Y347 HydrophobicContact CG2-CD2 4.23Å; I282-Y347 HydrophobicContact CG2-CE2 3.91Å; I282-V381 HydrophobicContact CD1-CB 4.46Å; I282-V381 HydrophobicContact CD1-CG1 3.92Å; I282-V381 HydrophobicContact CD1-CG2 4.4Å
283	H	89.1	Confident	82	Confident	113 Å²	113	70.6 Å²	70.6	52%	0.523	35%	0.347	S	S	.	.	H	α-helix	trans	-93.3	0.3	-177.2	-63	88.1	0	0	0	113.8	H279 S280 I281 E285	H279-H283 WeakPolarHBondContact O-CB 3.03Å; H279-H283 PolarHBondContact O-N 3.28Å; H279-H283 PolarHBondContact O-ND1 3.34Å; S280-H283 PolarHBondContact O-N 3.34Å; I281-H283 VanDerWaalsContact C-N 3.31Å; I281-H283 PolarHBondContact O-N 3.31Å; H283-E285 VanDerWaalsContact C-N 3.28Å; H283-E285 HydrophobicContact CB-CG 4Å; H283-E285 PolarHBondContact O-N 3.07Å
284	G	85.3	Confident	81	Confident	51 Å²	51	71.8 Å²	71.8	53%	0.526	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	26.5	-178.9	0	0	0	0	0	113.8	S280 I281	S280-G284 CarbonylContact O-C 3.58Å; S280-G284 PolarHBondContact O-N 2.94Å; I281-G284 PolarHBondContact O-N 3.28Å
285	E	85.8	Confident	80.1	Confident	110 Å²	110	72.3 Å²	72.3	51%	0.514	36%	0.358	S	S	.	.			trans	-82.2	148	177.8	-58.9	174.2	169.6	0	0	111.1	S280 H283 L287	S280-E285 PolarHBondContact O-N 2.97Å; S280-E285 PolarHBondContact OG-OE2 2.93Å; H283-E285 VanDerWaalsContact C-N 3.28Å; H283-E285 HydrophobicContact CB-CG 4Å; H283-E285 PolarHBondContact O-N 3.07Å; E285-L287 PolarHBondContact O-N 3.33Å
286	Q	77.8	Confident	79.1	Confident	128 Å²	128	72.8 Å²	72.8	60%	0.598	36%	0.361	S	S	*	.			trans	-75.8	126.2	178.3	-63.8	-57.1	-33.4	0	0	111	T294	Q286-T294 HydrophobicContact CB-CG2 3.75Å; Q286-T294 HydrophobicContact CG-CG2 4.18Å
287	L	77.2	Confident	78	Confident	22 Å²	22	71.3 Å²	71.3	12%	0.115	36%	0.362	C	S	.	.			trans	-95.1	107.7	174.3	-74.8	167.8	0	0	0	110.2	H277 S280 I281 E285 L295	H277-L287 HydrophobicContact CB-CD1 4.3Å; S280-L287 VanDerWaalsContact CB-CD2 3.47Å; S280-L287 WeakPolarHBondContact OG-CD2 3.48Å; I281-L287 HydrophobicContact CG1-CD1 4.24Å; E285-L287 PolarHBondContact O-N 3.33Å; L287-L295 HydrophobicContact CB-CB 4.15Å; L287-L295 HydrophobicContact CB-CD1 3.95Å; L287-L295 PolarHBondContact O-N 3.28Å
288	N	73.6	Confident	77.4	Confident	107 Å²	107	74.6 Å²	74.6	57%	0.572	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.4	173.4	-65.1	-36.4	0	0	0	109.6	T294	N288-T294 PolarHBondContact OD1-OG1 3.48Å; N288-T294 VanDerWaalsContact OD1-OG1 3.06Å
289	L	69.9	Low	77.2	Confident	64 Å²	64	74.6 Å²	74.6	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-30.8	169.7	-68.3	179.1	0	0	0	112	H115 L295 M301	H115-L289 HydrophobicContact CB-CD1 4.31Å; L289-L295 HydrophobicContact CD1-CD1 3.59Å; L289-L295 HydrophobicContact CD1-CD2 3.76Å; L289-L295 HydrophobicContact CD1-CG 3.83Å; L289-L295 HydrophobicContact CD2-CD1 4.02Å; L289-L295 HydrophobicContact CG-CD1 3.48Å; L289-L295 VanDerWaalsContact CG-CD1 3.48Å; L289-L295 HydrophobicContact CG-CD2 4.39Å; L289-L295 HydrophobicContact CG-CG 3.89Å; L289-M301 HydrophobicContact CD1-CE 3.76Å; L289-M301 HydrophobicContact CD1-SD 3.89Å; L289-M301 HydrophobicContact CD2-CE 4.03Å
290	R	60.4	Low	77.4	Confident	124 Å²	124	71.5 Å²	71.5	47%	0.468	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.3	178.7	-68.7	-174	175.7	-157.6	-5.8	108.8	H156 E292	H156-R290 PolarHBondContact ND1-NH2 3.47Å; H156-R290 VanDerWaalsContact ND1-NH2 3.12Å; R290-E292 PolarHBondContact O-N 2.87Å
291	N	55.1	Low	77.6	Confident	177 Å²	177	71 Å²	71	95%	0.947	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.1	176.4	-65.8	-11.2	0	0	0	113.7
292	E	58.1	Low	78	Confident	136 Å²	136	70.2 Å²	70.2	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-24.7	-168.2	-62.9	177.8	177	0	0	114.3	R290	R290-E292 PolarHBondContact O-N 2.87Å
293	Y	65.7	Low	78.4	Confident	158 Å²	158	69.7 Å²	69.7	62%	0.62	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.4	-177.5	-45.4	-82.4	0	0	0	112
294	T	71.2	Confident	78.9	Confident	60 Å²	60	64.3 Å²	64.3	37%	0.368	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.4	172.2	-49.4	0	0	0	0	109.7	S112 Q286 N288	S112-T294 PolarHBondContact OG-O 2.92Å; Q286-T294 HydrophobicContact CB-CG2 3.75Å; Q286-T294 HydrophobicContact CG-CG2 4.18Å; N288-T294 PolarHBondContact OD1-OG1 3.48Å; N288-T294 VanDerWaalsContact OD1-OG1 3.06Å
295	L	76.8	Confident	79.5	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.063	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-66.5	143.1	175.4	-75.4	171.5	0	0	0	110.4	L287 L289 H299 M301	L287-L295 HydrophobicContact CB-CB 4.15Å; L287-L295 HydrophobicContact CB-CD1 3.95Å; L287-L295 PolarHBondContact O-N 3.28Å; L289-L295 HydrophobicContact CD1-CD1 3.59Å; L289-L295 HydrophobicContact CD1-CD2 3.76Å; L289-L295 HydrophobicContact CD1-CG 3.83Å; L289-L295 HydrophobicContact CD2-CD1 4.02Å; L289-L295 HydrophobicContact CG-CD1 3.48Å; L289-L295 VanDerWaalsContact CG-CD1 3.48Å; L289-L295 HydrophobicContact CG-CD2 4.39Å; L289-L295 HydrophobicContact CG-CG 3.89Å; L295-H299 HydrophobicContact CD2-CB 4.33Å; L295-M301 HydrophobicContact CD1-SD 4.23Å
296	S	74.9	Confident	80.1	Confident	24 Å²	24	57.5 Å²	57.5	17%	0.168	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61	153.3	166.8	177.1	0	0	0	0	109.9	S112 Y113 E298 H299	S112-S296 VanDerWaalsContact O-CB 3.27Å; S112-S296 WeakPolarHBondContact O-CB 3.18Å; S112-S296 PolarHBondContact O-N 3.13Å; Y113-S296 WeakPolarHBondContact CE1-OG 3.26Å; S296-E298 VanDerWaalsContact CB-O 3.32Å; S296-E298 WeakPolarHBondContact CB-O 3.24Å; S296-E298 PolarHBondContact O-N 2.98Å; S296-E298 PolarHBondContact OG-N 2.9Å; S296-E298 VanDerWaalsContact OG-N 3.14Å; S296-E298 PolarHBondContact OG-O 3.39Å; S296-H299 PolarHBondContact O-ND1 3.36Å
297	T	70.9	Confident	81.1	Confident	87 Å²	87	52.5 Å²	52.5	53%	0.534	26%	0.26	S	S	.	.	S	Bend	trans	-60.2	-26	168.6	50	0	0	0	0	111.9	K47	K47-T297 VanDerWaalsContact O-O 3.12Å
298	E	79.3	Confident	82.1	Confident	81 Å²	81	52.8 Å²	52.8	38%	0.379	26%	0.262	S	S	.	.	S	Bend	trans	-110.3	100.2	173.9	-64.3	177.9	164.4	0	0	109	F104 Y113 S296	F104-E298 HydrophobicContact CE2-CB 3.85Å; F104-E298 HydrophobicContact CE2-CG 4.07Å; F104-E298 HydrophobicContact CZ-CB 4.07Å; Y113-E298 WeakPolarHBondContact CD1-O 3.38Å; S296-E298 VanDerWaalsContact CB-O 3.32Å; S296-E298 WeakPolarHBondContact CB-O 3.24Å; S296-E298 PolarHBondContact O-N 2.98Å; S296-E298 PolarHBondContact OG-N 2.9Å; S296-E298 VanDerWaalsContact OG-N 3.14Å; S296-E298 PolarHBondContact OG-O 3.39Å
299	H	88.7	Confident	83.3	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.8	179.8	66.9	-83.3	0	0	0	112.4	H48 L49 F104 S112 Y113 L295 S296	H48-H299 AromaticContact CE1-CD2 3.63Å; H48-H299 AromaticContact CE1-CE1 3.8Å; H48-H299 AromaticContact CE1-NE2 3.15Å; H48-H299 PolarHBondContact CE1-NE2 3.01Å; H48-H299 AromaticContact ND1-CD2 3.61Å; H48-H299 AromaticContact ND1-CE1 3.52Å; H48-H299 AromaticContact ND1-ND1 3.98Å; H48-H299 AromaticContact ND1-NE2 3.28Å; H48-H299 PolarHBondContact ND1-NE2 2.83Å; H48-H299 PolarHBondContact ND1-O 3.36Å; L49-H299 PolarHBondContact N-O 3.24Å; F104-H299 WeakPolarHBondContact CE1-O 3.5Å; S112-H299 WeakPolarHBondContact O-CB 3Å; Y113-H299 CarbonylContact O-C 3.56Å; Y113-H299 WeakPolarHBondContact O-CA 3.13Å; L295-H299 HydrophobicContact CD2-CB 4.33Å; S296-H299 PolarHBondContact O-ND1 3.36Å
300	I	94.8	Very high	84.6	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.7	175.9	-54.8	-178.2	0	0	0	108.5	L49 I51 F104 V105 Y113 Y114 H115 F135 I302	L49-I300 HydrophobicContact CB-CB 4.45Å; L49-I300 HydrophobicContact CB-CG1 4.25Å; L49-I300 HydrophobicContact CB-CG2 4.05Å; L49-I300 HydrophobicContact CD1-CD1 3.9Å; L49-I300 HydrophobicContact CD1-CG1 3.93Å; L49-I300 HydrophobicContact CD1-CG2 4.48Å; L49-I300 HydrophobicContact CG-CG1 4.48Å; I51-I300 HydrophobicContact CD1-CG2 3.65Å; I51-I300 HydrophobicContact CG1-CG2 4.36Å; F104-I300 HydrophobicContact CD1-CD1 4.12Å; F104-I300 HydrophobicContact CD1-CG1 3.9Å; F104-I300 HydrophobicContact CE1-CG1 3.79Å; V105-I300 HydrophobicContact CB-CD1 4.28Å; V105-I300 HydrophobicContact CG1-CD1 3.48Å; V105-I300 VanDerWaalsContact CG1-CD1 3.48Å; V105-I300 HydrophobicContact CG1-CG1 3.59Å; V105-I300 HydrophobicContact CG2-CD1 3.77Å; Y113-I300 PolarHBondContact O-N 2.96Å; Y114-I300 HydrophobicContact CD2-CB 4.41Å; Y114-I300 HydrophobicContact CD2-CD1 4.47Å; H115-I300 PolarHBondContact N-O 2.92Å; F135-I300 HydrophobicContact CE2-CD1 4.45Å; F135-I300 HydrophobicContact CZ-CD1 3.97Å; I300-I302 HydrophobicContact CG2-CD1 4.24Å; I300-I302 HydrophobicContact CG2-CG1 3.78Å
301	M	95.9	Very high	86.4	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.2	168	-58	-67.1	-63.6	0	0	109.5	L49 H50 I51 H115 L289 L295 Y303	L49-M301 PolarHBondContact O-N 2.9Å; H50-M301 VanDerWaalsContact CD2-CB 3.43Å; H50-M301 WeakPolarHBondContact CD2-CB 3.28Å; I51-M301 PolarHBondContact N-O 3.2Å; H115-M301 HydrophobicContact CB-CE 4.28Å; H115-M301 HydrophobicContact CB-SD 3.77Å; L289-M301 HydrophobicContact CD1-CE 3.76Å; L289-M301 HydrophobicContact CD1-SD 3.89Å; L289-M301 HydrophobicContact CD2-CE 4.03Å; L295-M301 HydrophobicContact CD1-SD 4.23Å; M301-Y303 HydrophobicContact CB-CE2 3.66Å; M301-Y303 WeakPolarHBondContact CE-OH 3.48Å
302	I	98.2	Very high	88.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.7	179.1	-60.9	-176.4	0	0	0	109.6	I51 F53 Y114 H115 V116 R117 I300	I51-I302 HydrophobicContact CB-CG1 4.34Å; I51-I302 HydrophobicContact CD1-CG1 4.34Å; I51-I302 CarbonylContact O-C 3.6Å; I51-I302 WeakPolarHBondContact O-CA 3.39Å; F53-I302 HydrophobicContact CD1-CG2 4.17Å; F53-I302 HydrophobicContact CE1-CG2 3.32Å; F53-I302 HydrophobicContact CZ-CG2 3.86Å; Y114-I302 HydrophobicContact CD2-CD1 4.28Å; Y114-I302 HydrophobicContact CE1-CD1 3.94Å; Y114-I302 HydrophobicContact CE2-CD1 3.4Å; Y114-I302 WeakPolarHBondContact OH-CD1 3.24Å; H115-I302 PolarHBondContact O-N 3.02Å; V116-I302 HydrophobicContact CG1-CB 4.38Å; V116-I302 HydrophobicContact CG1-CG2 4.2Å; V116-I302 HydrophobicContact CG2-CB 4.33Å; R117-I302 PolarHBondContact N-O 3.43Å; I300-I302 HydrophobicContact CG2-CD1 4.24Å; I300-I302 HydrophobicContact CG2-CG1 3.78Å
303	Y	98.6	Very high	90.4	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.1	179.9	-56.6	-81.6	0	0	0	109.6	H50 I51 L52 F53 R117 L165 L166 F270 M301	H50-Y303 HydrophobicContact CB-CE2 4.46Å; H50-Y303 PolarHBondContact CE1-OH 2.83Å; H50-Y303 AromaticContact CG-CE2 3.91Å; H50-Y303 AromaticContact ND1-CE2 3.89Å; H50-Y303 PolarHBondContact NE2-OH 2.87Å; I51-Y303 PolarHBondContact O-N 3.06Å; L52-Y303 WeakPolarHBondContact CA-O 3.44Å; F53-Y303 PolarHBondContact N-O 2.98Å; R117-Y303 HydrophobicContact CB-CD1 3.74Å; R117-Y303 HydrophobicContact CB-CE1 4.02Å; R117-Y303 HydrophobicContact CG-CD1 4.08Å; R117-Y303 HydrophobicContact CG-CE1 4.32Å; R117-Y303 CarbonylContact O-C 3.51Å; R117-Y303 VanDerWaalsContact O-CA 3.27Å; R117-Y303 WeakPolarHBondContact O-CA 3.19Å; L165-Y303 HydrophobicContact CD2-CE1 4.08Å; L166-Y303 HydrophobicContact CD2-CD1 3.89Å; L166-Y303 HydrophobicContact CD2-CG 4.29Å; F270-Y303 HydrophobicContact CE2-CD1 4.36Å; F270-Y303 AromaticContact CE2-CD2 3.79Å; F270-Y303 HydrophobicContact CE2-CD2 3.79Å; F270-Y303 HydrophobicContact CE2-CE1 4.35Å; F270-Y303 AromaticContact CE2-CE2 3.77Å; F270-Y303 HydrophobicContact CE2-CE2 3.77Å; F270-Y303 HydrophobicContact CE2-CG 4.08Å; F270-Y303 HydrophobicContact CZ-CD2 4.33Å; F270-Y303 HydrophobicContact CZ-CE2 4.27Å; M301-Y303 HydrophobicContact CB-CE2 3.66Å; M301-Y303 WeakPolarHBondContact CE-OH 3.48Å
304	S	98.8	Very high	92	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.9	173.8	-177	0	0	0	0	110.1	F53 R117 S118 T119 T124	F53-S304 VanDerWaalsContact CE2-OG 3.26Å; F53-S304 WeakPolarHBondContact CE2-OG 3.47Å; R117-S304 PolarHBondContact O-N 3.44Å; S118-S304 WeakPolarHBondContact CA-O 3.49Å; T119-S304 PolarHBondContact N-O 3.46Å; T124-S304 PolarHBondContact O-OG 3.39Å
305	A	98.5	Very high	93.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-149.7	-166.8	0	0	0	0	0	111.4	L52 F53 H55 T119 T124 D309	L52-A305 HydrophobicContact CD1-CB 4.44Å; L52-A305 HydrophobicContact CD2-CB 4.41Å; L52-A305 HydrophobicContact CG-CB 4.35Å; F53-A305 CarbonylContact O-C 3.55Å; F53-A305 PolarHBondContact O-N 2.87Å; H55-A305 PolarHBondContact N-O 2.69Å; T119-A305 HydrophobicContact CG2-CB 4.45Å; T124-A305 WeakPolarHBondContact CG2-O 3.13Å; A305-D309 HydrophobicContact CB-CB 3.81Å; A305-D309 VanDerWaalsContact CB-OD2 3.31Å; A305-D309 WeakPolarHBondContact CB-OD2 3.42Å
306	H	98.3	Very high	94.3	Very high	18 Å²	18	14.8 Å²	14.8	8%	0.083	9%	0.086	C	C	.	.			trans	-117.7	174.4	-171.3	-54.6	-78.8	0	0	0	112.8	H55 T119 T124 T308 D309 V310	H55-H306 AromaticContact CD2-ND1 3.59Å; H55-H306 AromaticContact NE2-ND1 3.84Å; T119-H306 PolarHBondContact OG1-NE2 3.41Å; T124-H306 VanDerWaalsContact CG2-CE1 3.47Å; T124-H306 WeakPolarHBondContact CG2-CE1 3.48Å; H306-T308 VanDerWaalsContact C-N 3.25Å; H306-T308 PolarHBondContact O-N 3.42Å; H306-D309 WeakPolarHBondContact CA-OD2 3.02Å; H306-D309 VanDerWaalsContact CB-OD2 3.27Å; H306-D309 WeakPolarHBondContact CB-OD2 3.27Å; H306-D309 IonicContact CD2-OD2 2.68Å; H306-D309 PolarHBondContact CD2-OD2 2.99Å; H306-D309 IonicContact CG-OD2 3.72Å; H306-D309 PolarHBondContact N-OD2 3.49Å; H306-D309 PolarHBondContact O-N 3.19Å; H306-V310 PolarHBondContact O-N 3.33Å
307	D	98.1	Very high	95.4	Very high	23 Å²	23	13.6 Å²	13.6	12%	0.123	8%	0.078	C	C	.	.	H	α-helix	trans	-62.1	-35.1	172.4	27.8	29.3	0	0	0	111.7	R54 W252 T311 I325	R54-D307 HydrophobicContact CG-CB 4.24Å; R54-D307 IonicContact CZ-OD2 3.73Å; R54-D307 IonicContact NE-OD2 3.79Å; R54-D307 PolarHBondContact NE-OD2 3.47Å; R54-D307 IonicContact NH2-OD2 2.69Å; R54-D307 PolarHBondContact NH2-OD2 3.19Å; W252-D307 HydrophobicContact CH2-CB 3.63Å; W252-D307 HydrophobicContact CZ2-CB 3.94Å; D307-T311 WeakPolarHBondContact O-CB 3.38Å; D307-T311 PolarHBondContact O-N 3.31Å; D307-T311 PolarHBondContact O-OG1 3.08Å; D307-I325 HydrophobicContact CB-CB 3.77Å; D307-I325 HydrophobicContact CB-CG1 4.36Å; D307-I325 HydrophobicContact CB-CG2 4.31Å; D307-I325 WeakPolarHBondContact O-CG1 3.28Å
308	T	97.8	Very high	96.7	Very high	28 Å²	28	11.7 Å²	11.7	17%	0.172	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-47.3	173.2	49.5	0	0	0	0	111.4	W252 Y256 H306 V310 T311 Y312	W252-T308 HydrophobicContact CH2-CG2 3.71Å; W252-T308 HydrophobicContact CZ2-CG2 4.27Å; W252-T308 HydrophobicContact CZ3-CG2 4.43Å; Y256-T308 HydrophobicContact CD1-CG2 4.1Å; Y256-T308 HydrophobicContact CD2-CG2 4.37Å; Y256-T308 HydrophobicContact CE1-CG2 3.75Å; Y256-T308 HydrophobicContact CE2-CG2 4.1Å; Y256-T308 HydrophobicContact CG-CG2 4.36Å; H306-T308 VanDerWaalsContact C-N 3.25Å; H306-T308 PolarHBondContact O-N 3.42Å; T308-V310 PolarHBondContact O-N 3.5Å; T308-T311 WeakPolarHBondContact O-CA 3.41Å; T308-T311 VanDerWaalsContact O-CB 3.31Å; T308-T311 WeakPolarHBondContact O-CB 3.31Å; T308-T311 PolarHBondContact O-N 3Å; T308-T311 VanDerWaalsContact O-N 3.08Å; T308-Y312 WeakPolarHBondContact O-CD2 3.48Å; T308-Y312 VanDerWaalsContact O-CG 3.29Å; T308-Y312 PolarHBondContact O-N 3.09Å
309	D	98.4	Very high	97.6	Very high	8 Å²	8	9 Å²	9	4%	0.043	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-44.9	180	-58	-77.2	0	0	0	112.3	L52 A305 H306 T311 Y312 I313	L52-D309 HydrophobicContact CD1-CB 4.15Å; L52-D309 HydrophobicContact CD2-CB 3.85Å; A305-D309 HydrophobicContact CB-CB 3.81Å; A305-D309 VanDerWaalsContact CB-OD2 3.31Å; A305-D309 WeakPolarHBondContact CB-OD2 3.42Å; H306-D309 WeakPolarHBondContact CA-OD2 3.02Å; H306-D309 VanDerWaalsContact CB-OD2 3.27Å; H306-D309 WeakPolarHBondContact CB-OD2 3.27Å; H306-D309 IonicContact CD2-OD2 2.68Å; H306-D309 PolarHBondContact CD2-OD2 2.99Å; H306-D309 IonicContact CG-OD2 3.72Å; H306-D309 PolarHBondContact N-OD2 3.49Å; H306-D309 PolarHBondContact O-N 3.19Å; D309-T311 VanDerWaalsContact C-N 3.29Å; D309-T311 PolarHBondContact O-N 3.43Å; D309-Y312 PolarHBondContact O-N 3.24Å; D309-I313 VanDerWaalsContact O-CG1 3.27Å; D309-I313 WeakPolarHBondContact O-CG1 3.41Å; D309-I313 PolarHBondContact O-N 3.28Å
310	V	98.7	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-42.6	174.5	172.7	0	0	0	0	110.9	L52 R54 H306 T308 L314 I325 V331 Y353	L52-V310 HydrophobicContact CD2-CG2 3.66Å; R54-V310 HydrophobicContact CB-CG2 4.24Å; H306-V310 PolarHBondContact O-N 3.33Å; T308-V310 PolarHBondContact O-N 3.5Å; V310-L314 HydrophobicContact CG1-CD1 3.88Å; V310-L314 HydrophobicContact CG1-CG 4.45Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.36Å; V310-L314 PolarHBondContact O-N 3.12Å; V310-I325 HydrophobicContact CB-CG1 4.16Å; V310-I325 HydrophobicContact CB-CG2 3.8Å; V310-I325 HydrophobicContact CG1-CB 4.44Å; V310-I325 HydrophobicContact CG1-CD1 3.81Å; V310-I325 HydrophobicContact CG1-CG1 3.96Å; V310-I325 HydrophobicContact CG1-CG2 3.61Å; V310-I325 HydrophobicContact CG2-CG2 4.18Å; V310-V331 HydrophobicContact CG1-CG2 3.94Å; V310-Y353 HydrophobicContact CG1-CE2 4.02Å
311	T	98.7	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.5	-51.3	176.8	-62.7	0	0	0	0	111.2	W252 D307 T308 D309 I313 L314 A315 Y320 I325	W252-T311 VanDerWaalsContact CZ2-OG1 3.29Å; W252-T311 WeakPolarHBondContact CZ2-OG1 3.34Å; W252-T311 PolarHBondContact NE1-OG1 2.79Å; W252-T311 VanDerWaalsContact NE1-OG1 3.12Å; D307-T311 WeakPolarHBondContact O-CB 3.38Å; D307-T311 PolarHBondContact O-N 3.31Å; D307-T311 PolarHBondContact O-OG1 3.08Å; T308-T311 WeakPolarHBondContact O-CA 3.41Å; T308-T311 VanDerWaalsContact O-CB 3.31Å; T308-T311 WeakPolarHBondContact O-CB 3.31Å; T308-T311 PolarHBondContact O-N 3Å; T308-T311 VanDerWaalsContact O-N 3.08Å; D309-T311 VanDerWaalsContact C-N 3.29Å; D309-T311 PolarHBondContact O-N 3.43Å; T311-I313 PolarHBondContact O-N 3.16Å; T311-L314 PolarHBondContact O-N 3.3Å; T311-A315 VanDerWaalsContact O-CB 3.26Å; T311-A315 WeakPolarHBondContact O-CB 3.49Å; T311-A315 PolarHBondContact O-N 2.66Å; T311-Y320 HydrophobicContact CG2-CD1 4.48Å; T311-Y320 HydrophobicContact CG2-CD2 4.45Å; T311-Y320 HydrophobicContact CG2-CE1 3.94Å; T311-Y320 HydrophobicContact CG2-CE2 3.95Å; T311-I325 WeakPolarHBondContact OG1-CG1 3.49Å
312	Y	98.5	Very high	98.3	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-43	-178.3	-62.5	-51.9	0	0	0	111.9	Q178 Y256 I262 E266 I267 T308 D309 A315 G316	Q178-Y312 PolarHBondContact NE2-OH 3.33Å; Q178-Y312 VanDerWaalsContact NE2-OH 3.14Å; Y256-Y312 HydrophobicContact CD1-CE1 4.2Å; Y256-Y312 AromaticContact CD1-CZ 3.81Å; Y256-Y312 WeakPolarHBondContact CD1-OH 3.45Å; Y256-Y312 HydrophobicContact CG-CE1 4.47Å; Y256-Y312 WeakPolarHBondContact O-CD1 3.3Å; Y256-Y312 WeakPolarHBondContact O-CE1 3.34Å; I262-Y312 HydrophobicContact CG2-CE1 4.06Å; E266-Y312 HydrophobicContact CB-CD1 4.11Å; E266-Y312 HydrophobicContact CB-CD2 3.6Å; E266-Y312 HydrophobicContact CB-CE1 4.13Å; E266-Y312 HydrophobicContact CB-CE2 3.62Å; E266-Y312 HydrophobicContact CB-CG 3.86Å; E266-Y312 VanDerWaalsContact CD-CE2 3.45Å; E266-Y312 HydrophobicContact CG-CD1 4.29Å; E266-Y312 HydrophobicContact CG-CD2 4.03Å; E266-Y312 HydrophobicContact CG-CE1 3.79Å; E266-Y312 HydrophobicContact CG-CE2 3.5Å; E266-Y312 VanDerWaalsContact CG-CE2 3.5Å; E266-Y312 HydrophobicContact CG-CG 4.4Å; E266-Y312 WeakPolarHBondContact CG-OH 3.18Å; E266-Y312 VanDerWaalsContact OE1-CE2 3.26Å; E266-Y312 WeakPolarHBondContact OE1-CE2 3.25Å; E266-Y312 PolarHBondContact OE1-OH 3.19Å; I267-Y312 WeakPolarHBondContact CD1-O 3.26Å; I267-Y312 HydrophobicContact CG2-CG 4.33Å; T308-Y312 WeakPolarHBondContact O-CD2 3.48Å; T308-Y312 VanDerWaalsContact O-CG 3.29Å; T308-Y312 PolarHBondContact O-N 3.09Å; D309-Y312 PolarHBondContact O-N 3.24Å; Y312-A315 PolarHBondContact O-N 2.97Å; Y312-G316 PolarHBondContact O-N 3.16Å
313	I	98.5	Very high	98.2	Very high	3 Å²	3	21 Å²	21	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-49.7	177	-66	-64.1	0	0	0	110.7	L52 I267 F270 D309 T311 A315 G316 F317 V331	L52-I313 HydrophobicContact CD1-CG1 4.32Å; I267-I313 HydrophobicContact CB-CD1 4.04Å; I267-I313 HydrophobicContact CD1-CD1 4.13Å; I267-I313 HydrophobicContact CG2-CD1 3.73Å; I267-I313 HydrophobicContact CG2-CG1 4.18Å; F270-I313 HydrophobicContact CD1-CD1 3.36Å; F270-I313 HydrophobicContact CE1-CD1 3.48Å; F270-I313 VanDerWaalsContact CE1-CD1 3.48Å; F270-I313 HydrophobicContact CG-CD1 4.16Å; F270-I313 HydrophobicContact CZ-CD1 4.33Å; D309-I313 VanDerWaalsContact O-CG1 3.27Å; D309-I313 WeakPolarHBondContact O-CG1 3.41Å; D309-I313 PolarHBondContact O-N 3.28Å; T311-I313 PolarHBondContact O-N 3.16Å; I313-A315 VanDerWaalsContact C-N 3.25Å; I313-A315 PolarHBondContact O-N 3.45Å; I313-G316 PolarHBondContact O-N 3.17Å; I313-F317 HydrophobicContact CG2-CD2 3.94Å; I313-F317 HydrophobicContact CG2-CE2 4.15Å; I313-F317 WeakPolarHBondContact O-CD2 3.21Å; I313-F317 PolarHBondContact O-N 3.11Å; I313-V331 HydrophobicContact CG2-CB 4.23Å; I313-V331 HydrophobicContact CG2-CG1 3.81Å; I313-V331 HydrophobicContact CG2-CG2 4.39Å
314	L	98.8	Very high	98.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-39.2	177.4	-69.8	171	0	0	0	111.7	V310 T311 G318 V319 Y320 I325 V331 L351 Y353 L365	V310-L314 HydrophobicContact CG1-CD1 3.88Å; V310-L314 HydrophobicContact CG1-CG 4.45Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.36Å; V310-L314 PolarHBondContact O-N 3.12Å; T311-L314 PolarHBondContact O-N 3.3Å; L314-G318 PolarHBondContact O-N 2.68Å; L314-V319 HydrophobicContact CD2-CG2 3.91Å; L314-V319 WeakPolarHBondContact O-CG2 3.33Å; L314-V319 PolarHBondContact O-N 3.03Å; L314-Y320 HydrophobicContact CB-CD2 4.04Å; L314-Y320 HydrophobicContact CB-CG 4.38Å; L314-Y320 HydrophobicContact CD1-CD2 4.22Å; L314-Y320 PolarHBondContact O-N 3.12Å; L314-Y320 VanDerWaalsContact O-N 3.13Å; L314-I325 HydrophobicContact CD1-CD1 4.26Å; L314-V331 HydrophobicContact CD1-CG2 4.47Å; L314-V331 HydrophobicContact CD2-CG2 3.87Å; L314-V331 HydrophobicContact CG-CG2 3.89Å; L314-L351 HydrophobicContact CD2-CD2 4.2Å; L314-Y353 HydrophobicContact CD1-CD1 4.29Å; L314-Y353 HydrophobicContact CD1-CD2 4.18Å; L314-Y353 HydrophobicContact CD1-CE1 3.95Å; L314-Y353 HydrophobicContact CD1-CE2 3.9Å; L314-Y353 HydrophobicContact CD1-CG 4.41Å; L314-Y353 HydrophobicContact CD2-CD1 4.4Å; L314-Y353 HydrophobicContact CD2-CD2 4.26Å; L314-Y353 HydrophobicContact CD2-CG 4.1Å; L314-L365 HydrophobicContact CD2-CD1 3.88Å
315	A	98.5	Very high	98	Very high	18 Å²	18	23.4 Å²	23.4	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-44.3	-179.7	0	0	0	0	0	111.5	I263 T311 Y312 I313 F317 G318 Y320	I263-A315 HydrophobicContact CD1-CB 3.69Å; I263-A315 HydrophobicContact CG1-CB 4.25Å; T311-A315 VanDerWaalsContact O-CB 3.26Å; T311-A315 WeakPolarHBondContact O-CB 3.49Å; T311-A315 PolarHBondContact O-N 2.66Å; Y312-A315 PolarHBondContact O-N 2.97Å; I313-A315 VanDerWaalsContact C-N 3.25Å; I313-A315 PolarHBondContact O-N 3.45Å; A315-F317 VanDerWaalsContact C-N 3.31Å; A315-F317 PolarHBondContact O-N 3.35Å; A315-G318 WeakPolarHBondContact O-CA 3.11Å; A315-G318 PolarHBondContact O-N 3.43Å; A315-Y320 HydrophobicContact CB-CD1 4.44Å; A315-Y320 HydrophobicContact CB-CG 4.43Å
316	G	98.1	Very high	98	Very high	8 Å²	8	27.5 Å²	27.5	8%	0.082	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-31.1	177.8	0	0	0	0	0	113.9	Y312 I313 G318 L391	Y312-G316 PolarHBondContact O-N 3.16Å; I313-G316 PolarHBondContact O-N 3.17Å; G316-G318 VanDerWaalsContact C-N 3.26Å; G316-L391 VanDerWaalsContact CA-CD1 3.46Å; G316-L391 WeakPolarHBondContact O-CD1 3.43Å
317	F	98.3	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.7	169.8	-79.3	-81.5	0	0	0	113.6	L271 F274 I313 A315 V319 L333 L351 L367 P368 V384 Q387 I388	L271-F317 HydrophobicContact CD2-CE2 3.82Å; L271-F317 HydrophobicContact CD2-CZ 4.07Å; F274-F317 HydrophobicContact CE1-CZ 4.11Å; I313-F317 HydrophobicContact CG2-CD2 3.94Å; I313-F317 HydrophobicContact CG2-CE2 4.15Å; I313-F317 WeakPolarHBondContact O-CD2 3.21Å; I313-F317 PolarHBondContact O-N 3.11Å; A315-F317 VanDerWaalsContact C-N 3.31Å; A315-F317 PolarHBondContact O-N 3.35Å; F317-V319 HydrophobicContact CB-CG2 4.23Å; F317-L333 HydrophobicContact CD2-CD2 4.4Å; F317-L333 HydrophobicContact CE1-CD2 4.19Å; F317-L333 HydrophobicContact CE2-CD1 3.75Å; F317-L333 HydrophobicContact CE2-CD2 3.94Å; F317-L333 HydrophobicContact CE2-CG 4.48Å; F317-L333 HydrophobicContact CZ-CD1 3.7Å; F317-L333 HydrophobicContact CZ-CD2 3.82Å; F317-L333 HydrophobicContact CZ-CG 4.44Å; F317-L351 HydrophobicContact CB-CD1 3.68Å; F317-L351 HydrophobicContact CD1-CD1 4.36Å; F317-L351 HydrophobicContact CD2-CD1 4.16Å; F317-L351 HydrophobicContact CG-CD1 3.81Å; F317-L367 HydrophobicContact CB-CD2 3.99Å; F317-L367 HydrophobicContact CD1-CD2 3.93Å; F317-L367 HydrophobicContact CG-CD2 4.36Å; F317-P368 VanDerWaalsContact O-CD 3.25Å; F317-P368 WeakPolarHBondContact O-CD 3.25Å; F317-V384 HydrophobicContact CD1-CG1 4.26Å; F317-V384 HydrophobicContact CE1-CG1 3.75Å; F317-Q387 PolarHBondContact O-NE2 2.98Å; F317-I388 HydrophobicContact CD1-CG2 3.99Å; F317-I388 HydrophobicContact CE1-CG2 3.89Å; F317-I388 HydrophobicContact CZ-CD1 4.48Å; F317-I388 HydrophobicContact CZ-CG2 4.41Å
318	G	97.9	Very high	98	Very high	47 Å²	47	26.2 Å²	26.2	49%	0.485	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	25.4	175.5	0	0	0	0	0	114.5	L314 A315 G316 P368	L314-G318 PolarHBondContact O-N 2.68Å; A315-G318 WeakPolarHBondContact O-CA 3.11Å; A315-G318 PolarHBondContact O-N 3.43Å; G316-G318 VanDerWaalsContact C-N 3.26Å; G318-P368 WeakPolarHBondContact O-CG 3.4Å
319	V	98.1	Very high	98.1	Very high	24 Å²	24	24.9 Å²	24.9	15%	0.145	15%	0.146	C	C	.	.			trans	-122.5	10.3	-176.5	-62.7	0	0	0	0	113.3	L314 F317 L351 L365 T366 L367	L314-V319 HydrophobicContact CD2-CG2 3.91Å; L314-V319 WeakPolarHBondContact O-CG2 3.33Å; L314-V319 PolarHBondContact O-N 3.03Å; F317-V319 HydrophobicContact CB-CG2 4.23Å; V319-L351 HydrophobicContact CG2-CD1 3.8Å; V319-L351 HydrophobicContact CG2-CD2 4.38Å; V319-L365 HydrophobicContact CB-CB 4.12Å; V319-L365 HydrophobicContact CB-CD1 3.87Å; V319-L365 HydrophobicContact CG1-CB 4.17Å; V319-L365 HydrophobicContact CG2-CB 4.33Å; V319-L365 HydrophobicContact CG2-CD1 3.65Å; V319-T366 WeakPolarHBondContact CG1-O 3.49Å; V319-L367 HydrophobicContact CG1-CD2 4.1Å
320	Y	98.4	Very high	98.1	Very high	29 Å²	29	24.5 Å²	24.5	11%	0.114	14%	0.143	C	C	.	.			trans	-69.5	133.5	176.7	-177.4	-126.8	0	0	0	111.8	W252 V253 S257 T311 L314 A315 N322 Q323 I325	W252-Y320 PolarHBondContact NE1-OH 2.89Å; V253-Y320 HydrophobicContact CG2-CE1 4.15Å; S257-Y320 VanDerWaalsContact OG-CE1 3.27Å; S257-Y320 WeakPolarHBondContact OG-CE1 3.23Å; T311-Y320 HydrophobicContact CG2-CD1 4.48Å; T311-Y320 HydrophobicContact CG2-CD2 4.45Å; T311-Y320 HydrophobicContact CG2-CE1 3.94Å; T311-Y320 HydrophobicContact CG2-CE2 3.95Å; L314-Y320 HydrophobicContact CB-CD2 4.04Å; L314-Y320 HydrophobicContact CB-CG 4.38Å; L314-Y320 HydrophobicContact CD1-CD2 4.22Å; L314-Y320 PolarHBondContact O-N 3.12Å; L314-Y320 VanDerWaalsContact O-N 3.13Å; A315-Y320 HydrophobicContact CB-CD1 4.44Å; A315-Y320 HydrophobicContact CB-CG 4.43Å; Y320-N322 WeakPolarHBondContact CD1-OD1 3.22Å; Y320-N322 VanDerWaalsContact CE1-CA 3.49Å; Y320-N322 HydrophobicContact CE1-CB 4.47Å; Y320-N322 WeakPolarHBondContact CE1-OD1 3.45Å; Y320-Q323 VanDerWaalsContact CE2-O 3.26Å; Y320-Q323 WeakPolarHBondContact CE2-O 3.2Å; Y320-Q323 PolarHBondContact OH-O 3.43Å; Y320-I325 HydrophobicContact CE2-CD1 4.21Å
321	N	97	Very high	98.1	Very high	74 Å²	74	24.6 Å²	24.6	40%	0.396	14%	0.144	S	C	.	.			trans	-102	17.5	-174.2	68.4	-12	0	0	0	113.4	Q323	N321-Q323 PolarHBondContact O-N 3.11Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 PolarHBondContact OD1-N 2.04Å
322	N	97.4	Very high	98.1	Very high	82 Å²	82	24.6 Å²	24.6	44%	0.439	14%	0.144	S	C	.	.	S	Bend	trans	58.6	27.7	179.8	-63.8	-20.5	0	0	0	114.4	R249 V253 Y320	R249-N322 WeakPolarHBondContact CD-O 3.5Å; R249-N322 WeakPolarHBondContact CG-O 3.39Å; V253-N322 HydrophobicContact CG2-CB 3.73Å; Y320-N322 WeakPolarHBondContact CD1-OD1 3.22Å; Y320-N322 VanDerWaalsContact CE1-CA 3.49Å; Y320-N322 HydrophobicContact CE1-CB 4.47Å; Y320-N322 WeakPolarHBondContact CE1-OD1 3.45Å
323	Q	96.6	Very high	98.1	Very high	74 Å²	74	24.8 Å²	24.8	35%	0.346	15%	0.145	S	C	.	.			trans	-105	148.7	174.7	-59.9	-56.7	-45.1	0	0	111.5	Y320 N321	Y320-Q323 VanDerWaalsContact CE2-O 3.26Å; Y320-Q323 WeakPolarHBondContact CE2-O 3.2Å; Y320-Q323 PolarHBondContact OH-O 3.43Å; N321-Q323 PolarHBondContact O-N 3.11Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.49Å; N321-Q323 PolarHBondContact OD1-N 2.04Å
324	T	96	Very high	98	Very high	48 Å²	48	24.7 Å²	24.7	29%	0.294	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-61.8	154.3	167.5	51.6	0	0	0	0	110.8	W252	W252-T324 HydrophobicContact CB-CG2 4.33Å; W252-T324 HydrophobicContact CD2-CG2 4.41Å; W252-T324 HydrophobicContact CG-CG2 4.16Å
325	I	98	Very high	97.9	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-96.9	122.5	-172.8	-54.7	-52.4	0	0	0	110.2	R54 D307 V310 T311 L314 Y320	R54-I325 HydrophobicContact CB-CG2 4.35Å; R54-I325 VanDerWaalsContact CZ-O 3.25Å; R54-I325 PolarHBondContact NH1-O 3.06Å; D307-I325 HydrophobicContact CB-CB 3.77Å; D307-I325 HydrophobicContact CB-CG1 4.36Å; D307-I325 HydrophobicContact CB-CG2 4.31Å; D307-I325 WeakPolarHBondContact O-CG1 3.28Å; V310-I325 HydrophobicContact CB-CG1 4.16Å; V310-I325 HydrophobicContact CB-CG2 3.8Å; V310-I325 HydrophobicContact CG1-CB 4.44Å; V310-I325 HydrophobicContact CG1-CD1 3.81Å; V310-I325 HydrophobicContact CG1-CG1 3.96Å; V310-I325 HydrophobicContact CG1-CG2 3.61Å; V310-I325 HydrophobicContact CG2-CG2 4.18Å; T311-I325 WeakPolarHBondContact OG1-CG1 3.49Å; L314-I325 HydrophobicContact CD1-CD1 4.26Å; Y320-I325 HydrophobicContact CE2-CD1 4.21Å
326	N	97.8	Very high	97.7	Very high	85 Å²	85	24.5 Å²	24.5	46%	0.455	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-74.3	162.9	178.2	-64.1	-41.2	0	0	0	113.1	R54 S329 K355	R54-N326 WeakPolarHBondContact CD-O 2.95Å; N326-S329 PolarHBondContact N-OG 3.46Å; N326-S329 VanDerWaalsContact O-CB 3.24Å; N326-S329 WeakPolarHBondContact O-CB 3.14Å; N326-S329 PolarHBondContact O-N 2.87Å; N326-S329 VanDerWaalsContact O-N 3.17Å; N326-S329 PolarHBondContact O-OG 3.03Å; N326-S329 VanDerWaalsContact O-OG 3.04Å; N326-K355 WeakPolarHBondContact CB-O 3.3Å; N326-K355 PolarHBondContact ND2-O 2.85Å
327	Y	98.6	Very high	97.4	Very high	14 Å²	14	24.3 Å²	24.3	6%	0.055	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	141.3	177.6	-64.5	-58.7	0	0	0	111.4	R54 G56 D57 R58 S329 G356 W357	R54-Y327 VanDerWaalsContact CZ-CD1 3.41Å; R54-Y327 VanDerWaalsContact CZ-CE1 3.45Å; R54-Y327 VanDerWaalsContact NH1-CD1 3.26Å; R54-Y327 VanDerWaalsContact NH2-CE1 3.35Å; G56-Y327 VanDerWaalsContact C-CD1 3.49Å; G56-Y327 VanDerWaalsContact O-CD1 3.24Å; G56-Y327 WeakPolarHBondContact O-CD1 3.15Å; D57-Y327 HydrophobicContact CB-CD2 3.85Å; D57-Y327 HydrophobicContact CB-CE2 4.09Å; D57-Y327 HydrophobicContact CB-CG 4.15Å; D57-Y327 WeakPolarHBondContact OD1-CE2 3.21Å; R58-Y327 HydrophobicContact CG-CE1 3.94Å; Y327-S329 PolarHBondContact O-N 3.34Å; Y327-S329 VanDerWaalsContact O-N 3.14Å; Y327-G356 CarbonylContact O-C 3.51Å; Y327-G356 VanDerWaalsContact O-CA 3.28Å; Y327-G356 WeakPolarHBondContact O-CA 3.4Å; Y327-W357 PolarHBondContact O-N 3.01Å
328	A	98.5	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	15.9	-174.6	0	0	0	0	0	115.2	R54 H55 Q89 L93 S330 W357	R54-A328 WeakPolarHBondContact O-CA 3.45Å; H55-A328 PolarHBondContact O-N 3.48Å; Q89-A328 HydrophobicContact CB-CB 4.26Å; L93-A328 HydrophobicContact CD2-CB 4.27Å; A328-S330 PolarHBondContact O-N 2.63Å; A328-S330 PolarHBondContact O-OG 2.92Å; A328-S330 VanDerWaalsContact O-OG 3.12Å; A328-W357 HydrophobicContact CB-CB 4.15Å
329	S	98.8	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.			trans	-58.3	139.1	168	-78.2	0	0	0	0	110.3	F53 R54 N326 Y327 K354 K355 G356	F53-S329 VanDerWaalsContact CA-O 3.27Å; F53-S329 WeakPolarHBondContact CA-O 3.31Å; R54-S329 PolarHBondContact N-O 2.84Å; N326-S329 PolarHBondContact N-OG 3.46Å; N326-S329 VanDerWaalsContact O-CB 3.24Å; N326-S329 WeakPolarHBondContact O-CB 3.14Å; N326-S329 PolarHBondContact O-N 2.87Å; N326-S329 VanDerWaalsContact O-N 3.17Å; N326-S329 PolarHBondContact O-OG 3.03Å; N326-S329 VanDerWaalsContact O-OG 3.04Å; Y327-S329 PolarHBondContact O-N 3.34Å; Y327-S329 VanDerWaalsContact O-N 3.14Å; S329-K354 CarbonylContact C-O 3.54Å; S329-K354 WeakPolarHBondContact CA-O 3.15Å; S329-K355 PolarHBondContact OG-O 3.39Å; S329-G356 WeakPolarHBondContact OG-CA 3.28Å; S329-G356 PolarHBondContact OG-N 2.91Å
330	S	98.8	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.4	-171.5	-53.3	0	0	0	0	111.6	L52 F53 L93 A328 Y353 K354	L52-S330 CarbonylContact O-C 3.57Å; L52-S330 VanDerWaalsContact O-CA 3.3Å; L52-S330 WeakPolarHBondContact O-CA 3.38Å; F53-S330 WeakPolarHBondContact CB-OG 3.27Å; L93-S330 WeakPolarHBondContact CD2-OG 3.31Å; A328-S330 PolarHBondContact O-N 2.63Å; A328-S330 PolarHBondContact O-OG 2.92Å; A328-S330 VanDerWaalsContact O-OG 3.12Å; S330-Y353 WeakPolarHBondContact O-CA 3.3Å; S330-Y353 WeakPolarHBondContact O-CD2 3.38Å; S330-K354 PolarHBondContact N-O 2.9Å; S330-K354 PolarHBondContact O-N 2.82Å
331	V	98.8	Very high	93.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.2	168.1	-174.5	0	0	0	0	108.5	L52 V310 I313 L314 L351 Y353	L52-V331 PolarHBondContact N-O 3.5Å; L52-V331 PolarHBondContact O-N 2.88Å; V310-V331 HydrophobicContact CG1-CG2 3.94Å; I313-V331 HydrophobicContact CG2-CB 4.23Å; I313-V331 HydrophobicContact CG2-CG1 3.81Å; I313-V331 HydrophobicContact CG2-CG2 4.39Å; L314-V331 HydrophobicContact CD1-CG2 4.47Å; L314-V331 HydrophobicContact CD2-CG2 3.87Å; L314-V331 HydrophobicContact CG-CG2 3.89Å; V331-L351 HydrophobicContact CG1-CD1 4.28Å; V331-L351 HydrophobicContact CG1-CD2 3.85Å; V331-L351 HydrophobicContact CG1-CG 3.9Å; V331-Y353 HydrophobicContact CG2-CD2 4.12Å
332	I	98.7	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.6	-178.6	-53.3	162.6	0	0	0	108.5	L49 H50 I51 W96 L97 Y101 E334 L351 L352	L49-I332 HydrophobicContact CD2-CG2 4.06Å; H50-I332 CarbonylContact O-C 3.6Å; H50-I332 WeakPolarHBondContact O-CA 3.48Å; I51-I332 HydrophobicContact CB-CG1 4.49Å; I51-I332 HydrophobicContact CG1-CB 4.48Å; I51-I332 HydrophobicContact CG1-CG1 4.13Å; I51-I332 HydrophobicContact CG1-CG2 3.9Å; I51-I332 HydrophobicContact CG2-CG1 4.08Å; W96-I332 HydrophobicContact CH2-CD1 4.04Å; W96-I332 HydrophobicContact CZ3-CD1 3.74Å; L97-I332 HydrophobicContact CD2-CD1 3.9Å; Y101-I332 WeakPolarHBondContact OH-CG2 3.43Å; I332-E334 HydrophobicContact CG2-CG 3.98Å; I332-L351 WeakPolarHBondContact O-CA 3.26Å; I332-L352 HydrophobicContact CB-CB 4.2Å; I332-L352 HydrophobicContact CD1-CD2 4.01Å; I332-L352 HydrophobicContact CD1-CG 4.35Å; I332-L352 PolarHBondContact N-O 3.25Å; I332-L352 PolarHBondContact O-N 3.35Å
333	L	98.3	Very high	92.1	Very high	5 Å²	5	43 Å²	43	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.2	172.6	-59.5	171.4	0	0	0	108.1	L49 H50 F274 F317 I349 K350 L351	L49-L333 WeakPolarHBondContact CA-O 3.09Å; H50-L333 HydrophobicContact CB-CB 4.16Å; H50-L333 HydrophobicContact CB-CD1 4.41Å; H50-L333 PolarHBondContact N-O 2.95Å; H50-L333 PolarHBondContact O-N 3.48Å; F274-L333 HydrophobicContact CD2-CD1 4.01Å; F274-L333 HydrophobicContact CE1-CD1 4.45Å; F274-L333 HydrophobicContact CE2-CB 4.01Å; F274-L333 HydrophobicContact CE2-CD1 3.72Å; F274-L333 HydrophobicContact CE2-CG 4.49Å; F274-L333 HydrophobicContact CG-CD1 4.47Å; F274-L333 HydrophobicContact CZ-CB 4.39Å; F274-L333 HydrophobicContact CZ-CD1 3.96Å; F317-L333 HydrophobicContact CD2-CD2 4.4Å; F317-L333 HydrophobicContact CE1-CD2 4.19Å; F317-L333 HydrophobicContact CE2-CD1 3.75Å; F317-L333 HydrophobicContact CE2-CD2 3.94Å; F317-L333 HydrophobicContact CE2-CG 4.48Å; F317-L333 HydrophobicContact CZ-CD1 3.7Å; F317-L333 HydrophobicContact CZ-CD2 3.82Å; F317-L333 HydrophobicContact CZ-CG 4.44Å; L333-I349 HydrophobicContact CD2-CG2 4.43Å; L333-K350 WeakPolarHBondContact CA-O 3.23Å; L333-L351 HydrophobicContact CD2-CB 4.12Å; L333-L351 HydrophobicContact CD2-CD1 3.98Å; L333-L351 HydrophobicContact CD2-CG 3.86Å
334	E	97.1	Very high	91.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.9	179.1	-47.3	-179.1	163.5	0	0	109.8	L46 L49 K100 Y101 I332 H336 I349 K350 Y364	L46-E334 HydrophobicContact CD1-CB 3.91Å; L49-E334 HydrophobicContact CD2-CB 3.95Å; L49-E334 HydrophobicContact CD2-CG 3.65Å; K100-E334 WeakPolarHBondContact CE-OE1 3.38Å; Y101-E334 PolarHBondContact OH-OE1 3.34Å; I332-E334 HydrophobicContact CG2-CG 3.98Å; E334-H336 WeakPolarHBondContact CB-NE2 3.42Å; E334-H336 IonicContact OE2-CD2 3.95Å; E334-H336 IonicContact OE2-CE1 3.68Å; E334-H336 IonicContact OE2-NE2 2.84Å; E334-H336 PolarHBondContact OE2-NE2 2.86Å; E334-I349 CarbonylContact O-C 3.54Å; E334-I349 VanDerWaalsContact O-CA 3.28Å; E334-I349 WeakPolarHBondContact O-CA 3.43Å; E334-K350 HydrophobicContact CB-CB 4.2Å; E334-K350 PolarHBondContact N-O 3.21Å; E334-K350 PolarHBondContact O-N 3.29Å; E334-Y364 PolarHBondContact OE1-OH 3.49Å; E334-Y364 PolarHBondContact OE2-OH 2.99Å
335	L	95.9	Very high	91.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.6	168.1	-179.9	66	0	0	0	109	K47 H48 I278 I281 Y347 I349 V381	K47-L335 HydrophobicContact CB-CD2 4.11Å; K47-L335 HydrophobicContact CB-CG 4.22Å; K47-L335 PolarHBondContact N-O 3.11Å; H48-L335 HydrophobicContact CB-CB 4.02Å; H48-L335 HydrophobicContact CB-CD2 4.29Å; H48-L335 PolarHBondContact N-O 2.88Å; H48-L335 PolarHBondContact O-N 3.1Å; I278-L335 HydrophobicContact CD1-CB 4Å; I278-L335 HydrophobicContact CD1-CD1 4.19Å; I278-L335 HydrophobicContact CD1-CD2 3.82Å; I278-L335 HydrophobicContact CD1-CG 4.21Å; I278-L335 HydrophobicContact CG2-CD1 4.28Å; I278-L335 HydrophobicContact CG2-CD2 4.46Å; I281-L335 HydrophobicContact CB-CD2 4.19Å; I281-L335 HydrophobicContact CD1-CD2 4.21Å; I281-L335 HydrophobicContact CG2-CD2 3.78Å; L335-Y347 HydrophobicContact CD1-CD1 4.16Å; L335-Y347 HydrophobicContact CD2-CD1 4.43Å; L335-Y347 HydrophobicContact CG-CD1 4.32Å; L335-I349 HydrophobicContact CD1-CG1 4.27Å; L335-V381 HydrophobicContact CD1-CG2 3.56Å
336	H	94.7	Very high	90.9	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.069	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.7	173.5	-67.6	-105.3	0	0	0	109.4	N45 E334 Y347 R348	N45-H336 CarbonylContact O-C 3.48Å; N45-H336 VanDerWaalsContact O-CA 3.25Å; N45-H336 WeakPolarHBondContact O-CA 3.4Å; E334-H336 WeakPolarHBondContact CB-NE2 3.42Å; E334-H336 IonicContact OE2-CD2 3.95Å; E334-H336 IonicContact OE2-CE1 3.68Å; E334-H336 IonicContact OE2-NE2 2.84Å; E334-H336 PolarHBondContact OE2-NE2 2.86Å; H336-Y347 CarbonylContact O-C 3.23Å; H336-Y347 VanDerWaalsContact O-CA 3.24Å; H336-Y347 WeakPolarHBondContact O-CA 3.42Å; H336-R348 PolarHBondContact N-O 3.4Å; H336-R348 PolarHBondContact O-N 2.99Å
337	G	92.4	Very high	90.8	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	24%	0.238	C	C	.	.			trans	-170.7	171.4	179.3	0	0	0	0	0	112.7	N45 K47	N45-G337 WeakPolarHBondContact CA-O 3.46Å; N45-G337 WeakPolarHBondContact CB-O 3.46Å; N45-G337 PolarHBondContact O-N 3.09Å; N45-G337 VanDerWaalsContact O-O 3.13Å; K47-G337 WeakPolarHBondContact CE-O 3.01Å
338	P	87.9	Confident	90.6	Very high	35 Å²	35	46.5 Å²	46.5	23%	0.227	25%	0.248	C	C	.	.			trans	-62.5	153.2	-174.5	23	-31	0	0	0	113.3	K47 K340 D346	K47-P338 WeakPolarHBondContact CE-O 3.08Å; K47-P338 PolarHBondContact NZ-O 2.96Å; P338-K340 WeakPolarHBondContact CB-O 3.44Å; P338-K340 WeakPolarHBondContact CG-O 3.48Å; P338-K340 PolarHBondContact O-N 3Å; P338-D346 HydrophobicContact CG-CB 4Å
339	D	78.7	Confident	90.6	Very high	130 Å²	130	46.5 Å²	46.5	70%	0.695	25%	0.249	S	C	*	.	S	Bend	trans	-56.3	-33	176.2	-74.3	-21.2	0	0	0	113.8
340	K	74.7	Confident	90.5	Very high	178 Å²	178	48.5 Å²	48.5	77%	0.774	26%	0.257	S	S	*	.	S	Bend	trans	-110.8	166.3	176.7	-62.9	-179.3	-178.9	178	0	109.9	P338 G342	P338-K340 WeakPolarHBondContact CB-O 3.44Å; P338-K340 WeakPolarHBondContact CG-O 3.48Å; P338-K340 PolarHBondContact O-N 3Å; K340-G342 PolarHBondContact O-N 3.1Å
341	S	73.6	Confident	90.5	Very high	120 Å²	120	48.5 Å²	48.5	84%	0.839	26%	0.257	S	S	*	.			trans	-49	115.3	172.3	57.9	0	0	0	0	110.7
342	G	75.6	Confident	90.5	Very high	29 Å²	29	48.4 Å²	48.4	30%	0.299	26%	0.257	S	S	.	.			trans	-113.2	-180	175.8	0	0	0	0	0	111.8	K340	K340-G342 PolarHBondContact O-N 3.1Å
343	K	84.6	Confident	90.5	Very high	155 Å²	155	48.8 Å²	48.8	67%	0.674	26%	0.258	S	S	*	.			trans	-73.3	153.6	170.4	-64.3	177.3	-178.2	177.4	0	108.7	S345 D346 Y347	K343-S345 WeakPolarHBondContact CB-OG 3.34Å; K343-S345 PolarHBondContact O-N 3.17Å; K343-S345 VanDerWaalsContact O-N 3.08Å; K343-D346 PolarHBondContact N-OD2 3.14Å; K343-D346 VanDerWaalsContact O-CB 3.31Å; K343-D346 WeakPolarHBondContact O-CB 3.25Å; K343-D346 PolarHBondContact O-N 3.05Å; K343-Y347 WeakPolarHBondContact O-CD2 3.24Å
344	E	86.7	Confident	90.5	Very high	68 Å²	68	49 Å²	49	32%	0.318	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-53.6	-32	175.5	-176	173.2	-179.4	0	0	112.5	H279 I282 D346 Y347	H279-E344 IonicContact CE1-OE1 3.82Å; I282-E344 HydrophobicContact CD1-CG 4.23Å; I282-E344 HydrophobicContact CG2-CB 4.37Å; E344-D346 PolarHBondContact O-N 3Å; E344-D346 VanDerWaalsContact O-N 3.16Å; E344-Y347 PolarHBondContact O-N 3.4Å; E344-Y347 VanDerWaalsContact O-N 3.14Å
345	S	87.2	Confident	90.6	Very high	68 Å²	68	52.7 Å²	52.7	48%	0.476	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.2	-21.3	174.7	56.8	0	0	0	0	114.8	K343 Y347	K343-S345 WeakPolarHBondContact CB-OG 3.34Å; K343-S345 PolarHBondContact O-N 3.17Å; K343-S345 VanDerWaalsContact O-N 3.08Å; S345-Y347 VanDerWaalsContact C-N 3.32Å
346	D	91.1	Very high	90.7	Very high	82 Å²	82	52.6 Å²	52.6	44%	0.439	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-86.2	-10.3	-177.5	-52.7	-28.1	0	0	0	111.6	P338 K343 E344	P338-D346 HydrophobicContact CG-CB 4Å; K343-D346 PolarHBondContact N-OD2 3.14Å; K343-D346 VanDerWaalsContact O-CB 3.31Å; K343-D346 WeakPolarHBondContact O-CB 3.25Å; K343-D346 PolarHBondContact O-N 3.05Å; E344-D346 PolarHBondContact O-N 3Å; E344-D346 VanDerWaalsContact O-N 3.16Å
347	Y	95.3	Very high	90.7	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.043	30%	0.297	C	S	.	.			trans	-92.8	143.1	178.4	-65.7	-97.4	0	0	0	111.6	K47 I282 L335 H336 K343 E344 S345 P380 V381	K47-Y347 HydrophobicContact CG-CE1 4.34Å; I282-Y347 HydrophobicContact CB-CE2 4.35Å; I282-Y347 HydrophobicContact CD1-CD1 4.43Å; I282-Y347 HydrophobicContact CD1-CD2 4.16Å; I282-Y347 HydrophobicContact CD1-CG 4.01Å; I282-Y347 HydrophobicContact CG1-CD1 3.9Å; I282-Y347 HydrophobicContact CG1-CD2 3.93Å; I282-Y347 HydrophobicContact CG1-CE1 3.98Å; I282-Y347 HydrophobicContact CG1-CE2 4Å; I282-Y347 HydrophobicContact CG1-CG 3.86Å; I282-Y347 HydrophobicContact CG2-CD2 4.23Å; I282-Y347 HydrophobicContact CG2-CE2 3.91Å; L335-Y347 HydrophobicContact CD1-CD1 4.16Å; L335-Y347 HydrophobicContact CD2-CD1 4.43Å; L335-Y347 HydrophobicContact CG-CD1 4.32Å; H336-Y347 CarbonylContact O-C 3.23Å; H336-Y347 VanDerWaalsContact O-CA 3.24Å; H336-Y347 WeakPolarHBondContact O-CA 3.42Å; K343-Y347 WeakPolarHBondContact O-CD2 3.24Å; E344-Y347 PolarHBondContact O-N 3.4Å; E344-Y347 VanDerWaalsContact O-N 3.14Å; S345-Y347 VanDerWaalsContact C-N 3.32Å; Y347-P380 WeakPolarHBondContact O-CA 3.32Å; Y347-V381 PolarHBondContact O-N 3.06Å
348	R	96.1	Very high	90.9	Very high	71 Å²	71	63 Å²	63	27%	0.268	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.9	-177.8	-53.6	-177	73	84	-3.6	111.1	H336 N377 G378 C379	H336-R348 PolarHBondContact N-O 3.4Å; H336-R348 PolarHBondContact O-N 2.99Å; R348-N377 PolarHBondContact NE-O 2.92Å; R348-G378 PolarHBondContact NH2-O 3.47Å; R348-C379 CarbonylContact C-O 3.58Å; R348-C379 WeakPolarHBondContact CA-O 3.29Å
349	I	97.4	Very high	91.4	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131	171.1	-70.9	158.9	0	0	0	109.3	F274 L333 E334 L335 L367 G378 C379 V381 V384	F274-I349 HydrophobicContact CE1-CD1 4.14Å; F274-I349 HydrophobicContact CZ-CD1 3.78Å; F274-I349 HydrophobicContact CZ-CG1 4.4Å; L333-I349 HydrophobicContact CD2-CG2 4.43Å; E334-I349 CarbonylContact O-C 3.54Å; E334-I349 VanDerWaalsContact O-CA 3.28Å; E334-I349 WeakPolarHBondContact O-CA 3.43Å; L335-I349 HydrophobicContact CD1-CG1 4.27Å; I349-L367 HydrophobicContact CG2-CD1 4.43Å; I349-G378 CarbonylContact O-C 3.51Å; I349-G378 VanDerWaalsContact O-CA 3.25Å; I349-G378 WeakPolarHBondContact O-CA 3.47Å; I349-C379 PolarHBondContact N-O 3.26Å; I349-C379 PolarHBondContact O-N 3.42Å; I349-V381 HydrophobicContact CD1-CG2 3.99Å; I349-V381 HydrophobicContact CG1-CG2 3.93Å; I349-V384 HydrophobicContact CB-CG2 4.25Å; I349-V384 HydrophobicContact CD1-CB 4.04Å; I349-V384 HydrophobicContact CD1-CG1 3.87Å; I349-V384 HydrophobicContact CD1-CG2 4.5Å; I349-V384 HydrophobicContact CG2-CG1 4.49Å
350	K	97.9	Very high	92.2	Very high	41 Å²	41	64.1 Å²	64.1	18%	0.178	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140	166	-54.3	-175	-170.9	-173.7	0	108.9	L333 E334 Y364 Y376	L333-K350 WeakPolarHBondContact CA-O 3.23Å; E334-K350 HydrophobicContact CB-CB 4.2Å; E334-K350 PolarHBondContact N-O 3.21Å; E334-K350 PolarHBondContact O-N 3.29Å; K350-Y364 HydrophobicContact CB-CD1 3.97Å; K350-Y364 HydrophobicContact CB-CE1 3.93Å; K350-Y364 HydrophobicContact CD-CD1 4.34Å; K350-Y364 HydrophobicContact CD-CE1 3.98Å; K350-Y376 WeakPolarHBondContact CD-O 3.49Å; K350-Y376 WeakPolarHBondContact CE-O 3.42Å; K350-Y376 PolarHBondContact NZ-O 2.88Å
351	L	98.5	Very high	93.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.3	171.3	-169.3	165.2	0	0	0	108.2	L314 F317 V319 V331 I332 L333 Y364 L365 L367	L314-L351 HydrophobicContact CD2-CD2 4.2Å; F317-L351 HydrophobicContact CB-CD1 3.68Å; F317-L351 HydrophobicContact CD1-CD1 4.36Å; F317-L351 HydrophobicContact CD2-CD1 4.16Å; F317-L351 HydrophobicContact CG-CD1 3.81Å; V319-L351 HydrophobicContact CG2-CD1 3.8Å; V319-L351 HydrophobicContact CG2-CD2 4.38Å; V331-L351 HydrophobicContact CG1-CD1 4.28Å; V331-L351 HydrophobicContact CG1-CD2 3.85Å; V331-L351 HydrophobicContact CG1-CG 3.9Å; I332-L351 WeakPolarHBondContact O-CA 3.26Å; L333-L351 HydrophobicContact CD2-CB 4.12Å; L333-L351 HydrophobicContact CD2-CD1 3.98Å; L333-L351 HydrophobicContact CD2-CG 3.86Å; L351-Y364 CarbonylContact O-C 3.55Å; L351-Y364 WeakPolarHBondContact O-CA 3.39Å; L351-L365 HydrophobicContact CD2-CB 4.21Å; L351-L365 HydrophobicContact CD2-CD1 3.86Å; L351-L365 HydrophobicContact CD2-CG 4.16Å; L351-L365 PolarHBondContact O-N 2.93Å; L351-L367 HydrophobicContact CB-CD2 4.28Å; L351-L367 HydrophobicContact CD1-CD2 4.05Å
352	L	98.5	Very high	94.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.2	174.5	174.7	63.4	0	0	0	109.3	W96 K100 I332 Y364	W96-L352 HydrophobicContact CH2-CD2 3.93Å; K100-L352 HydrophobicContact CD-CD2 4.04Å; I332-L352 HydrophobicContact CB-CB 4.2Å; I332-L352 HydrophobicContact CD1-CD2 4.01Å; I332-L352 HydrophobicContact CD1-CG 4.35Å; I332-L352 PolarHBondContact N-O 3.25Å; I332-L352 PolarHBondContact O-N 3.35Å; L352-Y364 HydrophobicContact CB-CD1 3.92Å; L352-Y364 HydrophobicContact CB-CE1 3.76Å; L352-Y364 HydrophobicContact CD1-CD1 4.26Å; L352-Y364 HydrophobicContact CD1-CD2 4.12Å; L352-Y364 HydrophobicContact CD1-CE1 4.3Å; L352-Y364 HydrophobicContact CD1-CE2 4.15Å; L352-Y364 HydrophobicContact CD1-CG 4.17Å; L352-Y364 HydrophobicContact CD2-CE1 4.35Å; L352-Y364 HydrophobicContact CG-CE1 4.38Å
353	Y	98.8	Very high	95.4	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.035	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.9	177	179.6	-140.2	0	0	0	110.6	V310 L314 S330 V331 K355 G362 E363 L365	V310-Y353 HydrophobicContact CG1-CE2 4.02Å; L314-Y353 HydrophobicContact CD1-CD1 4.29Å; L314-Y353 HydrophobicContact CD1-CD2 4.18Å; L314-Y353 HydrophobicContact CD1-CE1 3.95Å; L314-Y353 HydrophobicContact CD1-CE2 3.9Å; L314-Y353 HydrophobicContact CD1-CG 4.41Å; L314-Y353 HydrophobicContact CD2-CD1 4.4Å; L314-Y353 HydrophobicContact CD2-CD2 4.26Å; L314-Y353 HydrophobicContact CD2-CG 4.1Å; S330-Y353 WeakPolarHBondContact O-CA 3.3Å; S330-Y353 WeakPolarHBondContact O-CD2 3.38Å; V331-Y353 HydrophobicContact CG2-CD2 4.12Å; Y353-K355 HydrophobicContact CD1-CG 3.71Å; Y353-K355 HydrophobicContact CE1-CB 4.39Å; Y353-K355 HydrophobicContact CE1-CD 4.4Å; Y353-K355 HydrophobicContact CE1-CG 3.44Å; Y353-K355 VanDerWaalsContact CE1-CG 3.44Å; Y353-K355 HydrophobicContact CG-CG 4.49Å; Y353-G362 CarbonylContact O-C 3.5Å; Y353-G362 WeakPolarHBondContact O-CA 2.92Å; Y353-E363 PolarHBondContact N-O 3.29Å; Y353-E363 PolarHBondContact O-N 3.14Å; Y353-L365 HydrophobicContact CD1-CD1 4.21Å; Y353-L365 HydrophobicContact CG-CD1 4.3Å
354	K	98.4	Very high	96.1	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.2	169.2	-167.3	-173.9	-174.4	-50.9	0	108.3	L93 W96 S329 S330 G356 D359	L93-K354 HydrophobicContact CD1-CD 3.59Å; W96-K354 HydrophobicContact CD2-CD 4.36Å; W96-K354 HydrophobicContact CE3-CD 4.23Å; W96-K354 HydrophobicContact CH2-CD 4.44Å; W96-K354 HydrophobicContact CZ3-CD 4.26Å; S329-K354 CarbonylContact C-O 3.54Å; S329-K354 WeakPolarHBondContact CA-O 3.15Å; S330-K354 PolarHBondContact N-O 2.9Å; S330-K354 PolarHBondContact O-N 2.82Å; K354-G356 PolarHBondContact NZ-O 2.88Å; K354-G356 PolarHBondContact O-N 3.45Å; K354-G356 VanDerWaalsContact O-N 3.11Å; K354-D359 WeakPolarHBondContact CA-OD2 3.45Å; K354-D359 WeakPolarHBondContact CE-O 3.41Å; K354-D359 HydrophobicContact CG-CB 4.09Å; K354-D359 PolarHBondContact NZ-O 3.22Å
355	K	97.9	Very high	96.6	Very high	79 Å²	79	51.6 Å²	51.6	34%	0.343	26%	0.257	S	S	.	.			trans	-77.6	10.9	-168.4	-72.3	176.6	-176	169	0	115.6	N326 S329 Y353 D359 E363	N326-K355 WeakPolarHBondContact CB-O 3.3Å; N326-K355 PolarHBondContact ND2-O 2.85Å; S329-K355 PolarHBondContact OG-O 3.39Å; Y353-K355 HydrophobicContact CD1-CG 3.71Å; Y353-K355 HydrophobicContact CE1-CB 4.39Å; Y353-K355 HydrophobicContact CE1-CD 4.4Å; Y353-K355 HydrophobicContact CE1-CG 3.44Å; Y353-K355 VanDerWaalsContact CE1-CG 3.44Å; Y353-K355 HydrophobicContact CG-CG 4.49Å; K355-D359 HydrophobicContact CB-CB 4.3Å; K355-D359 PolarHBondContact N-OD2 2.99Å; K355-E363 VanDerWaalsContact CE-OE2 3.23Å; K355-E363 WeakPolarHBondContact CE-OE2 3.49Å; K355-E363 IonicContact NZ-OE2 3.35Å; K355-E363 PolarHBondContact NZ-OE2 2.86Å
356	G	97.8	Very high	97.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	140.5	-176.5	178.3	0	0	0	0	0	111.9	Y327 S329 K354 T358 D359	Y327-G356 CarbonylContact O-C 3.51Å; Y327-G356 VanDerWaalsContact O-CA 3.28Å; Y327-G356 WeakPolarHBondContact O-CA 3.4Å; S329-G356 WeakPolarHBondContact OG-CA 3.28Å; S329-G356 PolarHBondContact OG-N 2.91Å; K354-G356 PolarHBondContact NZ-O 2.88Å; K354-G356 PolarHBondContact O-N 3.45Å; K354-G356 VanDerWaalsContact O-N 3.11Å; G356-T358 VanDerWaalsContact C-N 3.3Å; G356-T358 PolarHBondContact O-N 3.05Å; G356-D359 PolarHBondContact O-N 2.93Å
357	W	96.4	Very high	97.5	Very high	143 Å²	143	47.7 Å²	47.7	54%	0.542	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.7	-179.1	69.3	-88.6	0	0	0	114	Q89 Y327 A328 D359	Q89-W357 HydrophobicContact CB-CB 4.04Å; Q89-W357 HydrophobicContact CG-CB 3.67Å; Q89-W357 HydrophobicContact CG-CD2 4.12Å; Q89-W357 HydrophobicContact CG-CG 3.7Å; Y327-W357 PolarHBondContact O-N 3.01Å; A328-W357 HydrophobicContact CB-CB 4.15Å; W357-D359 VanDerWaalsContact C-N 3.34Å
358	T	96.1	Very high	97.6	Very high	93 Å²	93	50.1 Å²	50.1	57%	0.571	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.1	178.1	52.5	0	0	0	0	114.6	G356 E360	G356-T358 VanDerWaalsContact C-N 3.3Å; G356-T358 PolarHBondContact O-N 3.05Å; T358-E360 PolarHBondContact O-N 3.28Å
359	D	97.7	Very high	97.5	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.171	25%	0.253	C	S	.	.			trans	-81.4	100.4	-179.7	176.4	3.8	0	0	0	110.9	K354 K355 G356 W357 V361 G362	K354-D359 WeakPolarHBondContact CA-OD2 3.45Å; K354-D359 WeakPolarHBondContact CE-O 3.41Å; K354-D359 HydrophobicContact CG-CB 4.09Å; K354-D359 PolarHBondContact NZ-O 3.22Å; K355-D359 HydrophobicContact CB-CB 4.3Å; K355-D359 PolarHBondContact N-OD2 2.99Å; G356-D359 PolarHBondContact O-N 2.93Å; W357-D359 VanDerWaalsContact C-N 3.34Å; D359-V361 VanDerWaalsContact C-N 3.27Å; D359-V361 PolarHBondContact O-N 3.3Å; D359-V361 PolarHBondContact OD1-N 3.34Å; D359-V361 VanDerWaalsContact OD1-N 3.09Å; D359-G362 PolarHBondContact OD1-N 2.67Å; D359-G362 WeakPolarHBondContact OD2-CA 3.3Å
360	E	96.2	Very high	97.5	Very high	158 Å²	158	49.3 Å²	49.3	74%	0.738	26%	0.258	S	S	*	.	S	Bend	trans	-75	-12.3	-175.5	-61	-175	164.4	0	0	114.5	W96 T358	W96-E360 PolarHBondContact NE1-O 3.03Å; T358-E360 PolarHBondContact O-N 3.28Å
361	V	96.2	Very high	97.3	Very high	110 Å²	110	56.3 Å²	56.3	67%	0.667	29%	0.288	S	S	*	.	S	Bend	trans	-119.3	-41.6	-166.7	-174	0	0	0	0	112.7	D359	D359-V361 VanDerWaalsContact C-N 3.27Å; D359-V361 PolarHBondContact O-N 3.3Å; D359-V361 PolarHBondContact OD1-N 3.34Å; D359-V361 VanDerWaalsContact OD1-N 3.09Å
362	G	97.4	Very high	97	Very high	15 Å²	15	60 Å²	60	16%	0.155	33%	0.326	C	S	.	.			trans	72.3	163.4	-166.3	0	0	0	0	0	113.2	Y353 D359	Y353-G362 CarbonylContact O-C 3.5Å; Y353-G362 WeakPolarHBondContact O-CA 2.92Å; D359-G362 PolarHBondContact OD1-N 2.67Å; D359-G362 WeakPolarHBondContact OD2-CA 3.3Å
363	E	97.9	Very high	96.7	Very high	87 Å²	87	64.3 Å²	64.3	41%	0.407	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.1	-178.2	-172.9	-176.2	171.5	0	0	110.9	Y353 K355 L365	Y353-E363 PolarHBondContact N-O 3.29Å; Y353-E363 PolarHBondContact O-N 3.14Å; K355-E363 VanDerWaalsContact CE-OE2 3.23Å; K355-E363 WeakPolarHBondContact CE-OE2 3.49Å; K355-E363 IonicContact NZ-OE2 3.35Å; K355-E363 PolarHBondContact NZ-OE2 2.86Å; E363-L365 HydrophobicContact CB-CD2 4.28Å; E363-L365 HydrophobicContact CG-CD2 3.87Å; E363-L365 PolarHBondContact O-N 3.23Å
364	Y	98.2	Very high	96.5	Very high	53 Å²	53	66.5 Å²	66.5	21%	0.208	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.1	170.2	-75.7	-76.8	0	0	0	109.8	K100 E334 K350 L351 L352	K100-Y364 PolarHBondContact NZ-OH 2.9Å; E334-Y364 PolarHBondContact OE1-OH 3.49Å; E334-Y364 PolarHBondContact OE2-OH 2.99Å; K350-Y364 HydrophobicContact CB-CD1 3.97Å; K350-Y364 HydrophobicContact CB-CE1 3.93Å; K350-Y364 HydrophobicContact CD-CD1 4.34Å; K350-Y364 HydrophobicContact CD-CE1 3.98Å; L351-Y364 CarbonylContact O-C 3.55Å; L351-Y364 WeakPolarHBondContact O-CA 3.39Å; L352-Y364 HydrophobicContact CB-CD1 3.92Å; L352-Y364 HydrophobicContact CB-CE1 3.76Å; L352-Y364 HydrophobicContact CD1-CD1 4.26Å; L352-Y364 HydrophobicContact CD1-CD2 4.12Å; L352-Y364 HydrophobicContact CD1-CE1 4.3Å; L352-Y364 HydrophobicContact CD1-CE2 4.15Å; L352-Y364 HydrophobicContact CD1-CG 4.17Å; L352-Y364 HydrophobicContact CD2-CE1 4.35Å; L352-Y364 HydrophobicContact CG-CE1 4.38Å
365	L	98.3	Very high	96.4	Very high	21 Å²	21	66.5 Å²	66.5	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	143.3	-177.3	-56.2	-177.8	0	0	0	111.1	L314 V319 L351 Y353 E363 L367 G375	L314-L365 HydrophobicContact CD2-CD1 3.88Å; V319-L365 HydrophobicContact CB-CB 4.12Å; V319-L365 HydrophobicContact CB-CD1 3.87Å; V319-L365 HydrophobicContact CG1-CB 4.17Å; V319-L365 HydrophobicContact CG2-CB 4.33Å; V319-L365 HydrophobicContact CG2-CD1 3.65Å; L351-L365 HydrophobicContact CD2-CB 4.21Å; L351-L365 HydrophobicContact CD2-CD1 3.86Å; L351-L365 HydrophobicContact CD2-CG 4.16Å; L351-L365 PolarHBondContact O-N 2.93Å; Y353-L365 HydrophobicContact CD1-CD1 4.21Å; Y353-L365 HydrophobicContact CG-CD1 4.3Å; E363-L365 HydrophobicContact CB-CD2 4.28Å; E363-L365 HydrophobicContact CG-CD2 3.87Å; E363-L365 PolarHBondContact O-N 3.23Å; L365-L367 PolarHBondContact O-N 3.28Å; L365-G375 WeakPolarHBondContact O-CA 3.3Å
366	T	98.1	Very high	96.3	Very high	62 Å²	62	69.2 Å²	69.2	38%	0.38	37%	0.373	S	S	.	.			trans	-83.8	113.7	177.8	-58.8	0	0	0	0	109.6	V319 Q373 G375	V319-T366 WeakPolarHBondContact CG1-O 3.49Å; T366-Q373 WeakPolarHBondContact CG2-O 3.31Å; T366-Q373 PolarHBondContact OG1-O 3.13Å; T366-G375 PolarHBondContact OG1-N 2.89Å
367	L	97.9	Very high	96.1	Very high	6 Å²	6	72.6 Å²	72.6	3%	0.031	39%	0.391	C	S	.	.			trans	-68	139.2	177	-66.2	174.2	0	0	0	110.9	F317 V319 I349 L351 L365 A369 C370 K371 C379 V384	F317-L367 HydrophobicContact CB-CD2 3.99Å; F317-L367 HydrophobicContact CD1-CD2 3.93Å; F317-L367 HydrophobicContact CG-CD2 4.36Å; V319-L367 HydrophobicContact CG1-CD2 4.1Å; I349-L367 HydrophobicContact CG2-CD1 4.43Å; L351-L367 HydrophobicContact CB-CD2 4.28Å; L351-L367 HydrophobicContact CD1-CD2 4.05Å; L365-L367 PolarHBondContact O-N 3.28Å; L367-A369 VanDerWaalsContact C-N 3.28Å; L367-A369 PolarHBondContact O-N 3.11Å; L367-C370 CarbonylContact O-C 3.5Å; L367-C370 PolarHBondContact O-N 3.3Å; L367-K371 PolarHBondContact O-N 3.12Å; L367-C379 HydrophobicContact CB-CB 4.36Å; L367-C379 HydrophobicContact CD1-CB 3.93Å; L367-V384 HydrophobicContact CD1-CG1 4.19Å; L367-V384 HydrophobicContact CD1-CG2 3.59Å
368	P	97.1	Very high	96.1	Very high	62 Å²	62	66.1 Å²	66.1	40%	0.403	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-53.1	-39.9	-178.8	-28.4	34	0	0	0	114.5	F317 G318 C370 K371	F317-P368 VanDerWaalsContact O-CD 3.25Å; F317-P368 WeakPolarHBondContact O-CD 3.25Å; G318-P368 WeakPolarHBondContact O-CG 3.4Å; P368-C370 PolarHBondContact O-N 3.12Å; P368-C370 VanDerWaalsContact O-N 3.08Å; P368-K371 WeakPolarHBondContact O-CB 3.15Å; P368-K371 PolarHBondContact O-N 2.8Å; P368-K371 VanDerWaalsContact O-N 3.14Å
369	A	95.6	Very high	96.1	Very high	41 Å²	41	61.7 Å²	61.7	34%	0.339	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.2	-15.7	177.8	0	0	0	0	0	114.1	L367 L383 Q387	L367-A369 VanDerWaalsContact C-N 3.28Å; L367-A369 PolarHBondContact O-N 3.11Å; A369-L383 HydrophobicContact CB-CB 4.02Å; A369-Q387 HydrophobicContact CB-CB 4.32Å
370	C	96.5	Very high	96	Very high	14 Å²	14	61.3 Å²	61.3	10%	0.095	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-123.8	34.3	176.8	-70.8	0	0	0	0	112.5	L367 P368 G372 Q373 C379 P380	L367-C370 CarbonylContact O-C 3.5Å; L367-C370 PolarHBondContact O-N 3.3Å; P368-C370 PolarHBondContact O-N 3.12Å; P368-C370 VanDerWaalsContact O-N 3.08Å; C370-G372 PolarHBondContact O-N 3.09Å; C370-Q373 PolarHBondContact O-N 2.83Å; C370-C379 HydrophobicContact CB-CB 3.71Å; C370-C379 WeakPolarHBondContact CB-SG 2.91Å; C370-C379 WeakPolarHBondContact SG-CA 3.3Å; C370-C379 WeakPolarHBondContact SG-CB 3.37Å; C370-C379 CovalentContact SG-SG 2.04Å; C370-C379 PolarHBondContact SG-SG 2.82Å; C370-P380 WeakPolarHBondContact SG-CD 3.09Å
371	K	93.4	Very high	96	Very high	188 Å²	188	53.8 Å²	53.8	82%	0.817	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	135.2	177.2	-172.7	176	-178.5	178.4	0	111.6	L367 P368	L367-K371 PolarHBondContact O-N 3.12Å; P368-K371 WeakPolarHBondContact O-CB 3.15Å; P368-K371 PolarHBondContact O-N 2.8Å; P368-K371 VanDerWaalsContact O-N 3.14Å
372	G	92.2	Very high	96	Very high	77 Å²	77	52 Å²	52	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-4.1	-179.1	0	0	0	0	0	114.5	C370	C370-G372 PolarHBondContact O-N 3.09Å
373	Q	92.1	Very high	96	Very high	93 Å²	93	54.8 Å²	54.8	44%	0.435	30%	0.303	S	S	.	.	S	Bend	trans	-109.4	137.4	170.2	-61.5	-175.3	-10.7	0	0	109.9	T366 C370 G375	T366-Q373 WeakPolarHBondContact CG2-O 3.31Å; T366-Q373 PolarHBondContact OG1-O 3.13Å; C370-Q373 PolarHBondContact O-N 2.83Å; Q373-G375 PolarHBondContact O-N 2.85Å
374	P	95.1	Very high	96	Very high	54 Å²	54	50.7 Å²	50.7	35%	0.351	28%	0.284	S	S	.	.			trans	-58.4	137.7	174.1	-24.6	33.6	0	0	0	112.2	Y376 N377	P374-Y376 HydrophobicContact CB-CD1 3.56Å; P374-Y376 HydrophobicContact CB-CE1 3.14Å; P374-Y376 HydrophobicContact CB-CE2 4.32Å; P374-Y376 HydrophobicContact CB-CG 4.31Å; P374-Y376 HydrophobicContact CG-CE1 3.86Å; P374-Y376 PolarHBondContact O-N 3.42Å; P374-N377 WeakPolarHBondContact O-CB 3.46Å; P374-N377 PolarHBondContact O-N 3.33Å
375	G	96.2	Very high	95.9	Very high	8 Å²	8	49 Å²	49	8%	0.082	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-55.7	-28.3	-176.4	0	0	0	0	0	115	L365 T366 Q373 N377 G378	L365-G375 WeakPolarHBondContact O-CA 3.3Å; T366-G375 PolarHBondContact OG1-N 2.89Å; Q373-G375 PolarHBondContact O-N 2.85Å; G375-N377 PolarHBondContact O-N 3.04Å; G375-G378 PolarHBondContact O-N 3.22Å
376	Y	95.3	Very high	95.9	Very high	136 Å²	136	53.6 Å²	53.6	53%	0.533	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.3	-17.5	178	64.7	-103.7	0	0	0	113.6	K350 P374 G378	K350-Y376 WeakPolarHBondContact CD-O 3.49Å; K350-Y376 WeakPolarHBondContact CE-O 3.42Å; K350-Y376 PolarHBondContact NZ-O 2.88Å; P374-Y376 HydrophobicContact CB-CD1 3.56Å; P374-Y376 HydrophobicContact CB-CE1 3.14Å; P374-Y376 HydrophobicContact CB-CE2 4.32Å; P374-Y376 HydrophobicContact CB-CG 4.31Å; P374-Y376 HydrophobicContact CG-CE1 3.86Å; P374-Y376 PolarHBondContact O-N 3.42Å; Y376-G378 VanDerWaalsContact C-N 3.27Å
377	N	94.6	Very high	95.9	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-76.4	-15.2	172	-71	-18.3	0	0	0	112.4	R348 P374 G375	R348-N377 PolarHBondContact NE-O 2.92Å; P374-N377 WeakPolarHBondContact O-CB 3.46Å; P374-N377 PolarHBondContact O-N 3.33Å; G375-N377 PolarHBondContact O-N 3.04Å
378	G	95.1	Very high	95.9	Very high	6 Å²	6	52.8 Å²	52.8	6%	0.062	29%	0.291	C	S	.	.			trans	66.9	177.9	-172.3	0	0	0	0	0	113.6	R348 I349 G375 Y376	R348-G378 PolarHBondContact NH2-O 3.47Å; I349-G378 CarbonylContact O-C 3.51Å; I349-G378 VanDerWaalsContact O-CA 3.25Å; I349-G378 WeakPolarHBondContact O-CA 3.47Å; G375-G378 PolarHBondContact O-N 3.22Å; Y376-G378 VanDerWaalsContact C-N 3.27Å
379	C	96.8	Very high	95.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.7	179.5	-168.1	0	0	0	0	110.1	R348 I349 L367 C370 V381 V384	R348-C379 CarbonylContact C-O 3.58Å; R348-C379 WeakPolarHBondContact CA-O 3.29Å; I349-C379 PolarHBondContact N-O 3.26Å; I349-C379 PolarHBondContact O-N 3.42Å; L367-C379 HydrophobicContact CB-CB 4.36Å; L367-C379 HydrophobicContact CD1-CB 3.93Å; C370-C379 HydrophobicContact CB-CB 3.71Å; C370-C379 WeakPolarHBondContact CB-SG 2.91Å; C370-C379 WeakPolarHBondContact SG-CA 3.3Å; C370-C379 WeakPolarHBondContact SG-CB 3.37Å; C370-C379 CovalentContact SG-SG 2.04Å; C370-C379 PolarHBondContact SG-SG 2.82Å; C379-V381 PolarHBondContact O-N 2.95Å; C379-V384 HydrophobicContact CB-CG2 3.59Å
380	P	95.9	Very high	96	Very high	23 Å²	23	58 Å²	58	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	133.8	176.3	-27.2	35.4	0	0	0	112.2	Y347 C370 N382 L383 V384	Y347-P380 WeakPolarHBondContact O-CA 3.32Å; C370-P380 WeakPolarHBondContact SG-CD 3.09Å; P380-N382 VanDerWaalsContact C-N 3.29Å; P380-N382 VanDerWaalsContact CB-OD1 3.24Å; P380-N382 WeakPolarHBondContact CB-OD1 3.37Å; P380-N382 PolarHBondContact O-N 3.16Å; P380-L383 HydrophobicContact CB-CD1 4.33Å; P380-L383 HydrophobicContact CB-CG 4.26Å; P380-L383 HydrophobicContact CG-CD1 4.1Å; P380-L383 WeakPolarHBondContact O-CB 3.45Å; P380-L383 PolarHBondContact O-N 3.16Å; P380-V384 PolarHBondContact O-N 3.1Å
381	V	96.7	Very high	96.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-53.1	-47	-174.2	164.5	0	0	0	0	111.6	I278 I282 L335 Y347 I349 C379 L383 V384 L385	I278-V381 HydrophobicContact CG2-CG1 3.8Å; I278-V381 HydrophobicContact CG2-CG2 4.44Å; I282-V381 HydrophobicContact CD1-CB 4.46Å; I282-V381 HydrophobicContact CD1-CG1 3.92Å; I282-V381 HydrophobicContact CD1-CG2 4.4Å; L335-V381 HydrophobicContact CD1-CG2 3.56Å; Y347-V381 PolarHBondContact O-N 3.06Å; I349-V381 HydrophobicContact CD1-CG2 3.99Å; I349-V381 HydrophobicContact CG1-CG2 3.93Å; C379-V381 PolarHBondContact O-N 2.95Å; V381-L383 VanDerWaalsContact C-N 3.26Å; V381-L383 PolarHBondContact O-N 2.79Å; V381-V384 PolarHBondContact O-N 2.82Å; V381-L385 HydrophobicContact CG1-CD1 3.58Å; V381-L385 HydrophobicContact CG1-CG 3.8Å; V381-L385 WeakPolarHBondContact O-CG 3.3Å; V381-L385 PolarHBondContact O-N 3.17Å
382	N	96	Very high	96.3	Very high	74 Å²	74	51.7 Å²	51.7	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-37	-179.3	66.9	-57.4	0	0	0	113.2	P380 E386	P380-N382 VanDerWaalsContact C-N 3.29Å; P380-N382 VanDerWaalsContact CB-OD1 3.24Å; P380-N382 WeakPolarHBondContact CB-OD1 3.37Å; P380-N382 PolarHBondContact O-N 3.16Å; N382-E386 WeakPolarHBondContact O-CB 3.26Å; N382-E386 PolarHBondContact O-N 3.41Å
383	L	96.7	Very high	96.6	Very high	73 Å²	73	48.4 Å²	48.4	38%	0.382	25%	0.248	S	C	.	.	H	α-helix	trans	-70.9	-38.9	177.4	-66.3	-174.9	0	0	0	111.6	A369 P380 V381 Q387	A369-L383 HydrophobicContact CB-CB 4.02Å; P380-L383 HydrophobicContact CB-CD1 4.33Å; P380-L383 HydrophobicContact CB-CG 4.26Å; P380-L383 HydrophobicContact CG-CD1 4.1Å; P380-L383 WeakPolarHBondContact O-CB 3.45Å; P380-L383 PolarHBondContact O-N 3.16Å; V381-L383 VanDerWaalsContact C-N 3.26Å; V381-L383 PolarHBondContact O-N 2.79Å; L383-Q387 WeakPolarHBondContact O-CB 3.48Å; L383-Q387 PolarHBondContact O-N 3.4Å; L383-Q387 VanDerWaalsContact O-N 3.08Å
384	V	97.7	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-44.5	176.6	-178.8	0	0	0	0	110.9	F317 I349 L367 C379 P380 V381 Q387 I388	F317-V384 HydrophobicContact CD1-CG1 4.26Å; F317-V384 HydrophobicContact CE1-CG1 3.75Å; I349-V384 HydrophobicContact CB-CG2 4.25Å; I349-V384 HydrophobicContact CD1-CB 4.04Å; I349-V384 HydrophobicContact CD1-CG1 3.87Å; I349-V384 HydrophobicContact CD1-CG2 4.5Å; I349-V384 HydrophobicContact CG2-CG1 4.49Å; L367-V384 HydrophobicContact CD1-CG1 4.19Å; L367-V384 HydrophobicContact CD1-CG2 3.59Å; C379-V384 HydrophobicContact CB-CG2 3.59Å; P380-V384 PolarHBondContact O-N 3.1Å; V381-V384 PolarHBondContact O-N 2.82Å; V384-Q387 WeakPolarHBondContact O-CB 3.28Å; V384-Q387 PolarHBondContact O-N 3.27Å; V384-I388 WeakPolarHBondContact O-CG1 3.36Å; V384-I388 PolarHBondContact O-N 2.94Å; V384-I388 VanDerWaalsContact O-N 3.09Å
385	L	97.2	Very high	96.8	Very high	18 Å²	18	46.2 Å²	46.2	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.7	-66.5	-173	0	0	0	111.7	V275 V381 Q387 I388 K389	V275-L385 HydrophobicContact CB-CD2 4.33Å; V275-L385 HydrophobicContact CG1-CD2 4.19Å; V275-L385 HydrophobicContact CG2-CD2 3.61Å; V381-L385 HydrophobicContact CG1-CD1 3.58Å; V381-L385 HydrophobicContact CG1-CG 3.8Å; V381-L385 WeakPolarHBondContact O-CG 3.3Å; V381-L385 PolarHBondContact O-N 3.17Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.34Å; L385-I388 HydrophobicContact CD2-CD1 4.3Å; L385-I388 PolarHBondContact O-N 3.07Å; L385-K389 WeakPolarHBondContact O-CB 3.44Å; L385-K389 PolarHBondContact O-N 3.46Å
386	E	97.5	Very high	96.7	Very high	117 Å²	117	52.1 Å²	52.1	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-36	175.4	-168.7	62.2	-159.2	0	0	111.7	N382 K389	N382-E386 WeakPolarHBondContact O-CB 3.26Å; N382-E386 PolarHBondContact O-N 3.41Å; E386-K389 WeakPolarHBondContact O-CB 3.36Å; E386-K389 IonicContact OE1-NZ 3.95Å; E386-K389 PolarHBondContact OE1-NZ 3.46Å; E386-K389 VanDerWaalsContact OE1-NZ 3.08Å; E386-K389 VanDerWaalsContact OE2-CD 3.3Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.74Å; E386-K389 PolarHBondContact OE2-NZ 3.09Å
387	Q	97.3	Very high	96.8	Very high	52 Å²	52	48 Å²	48	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-44.8	176.1	-170.5	-167.3	-68.6	0	0	112.3	F317 A369 L383 V384 L385 P390	F317-Q387 PolarHBondContact O-NE2 2.98Å; A369-Q387 HydrophobicContact CB-CB 4.32Å; L383-Q387 WeakPolarHBondContact O-CB 3.48Å; L383-Q387 PolarHBondContact O-N 3.4Å; L383-Q387 VanDerWaalsContact O-N 3.08Å; V384-Q387 WeakPolarHBondContact O-CB 3.28Å; V384-Q387 PolarHBondContact O-N 3.27Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.34Å; Q387-P390 WeakPolarHBondContact O-CD 3.38Å
388	I	98	Very high	96.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-88.2	-8.9	-175.6	67.9	174.7	0	0	0	113.6	L271 F274 V275 F317 V384 L385 P390 L391	L271-I388 HydrophobicContact CD1-CB 4.38Å; L271-I388 HydrophobicContact CD2-CD1 4.25Å; F274-I388 HydrophobicContact CD1-CD1 4.17Å; F274-I388 HydrophobicContact CE1-CD1 4.27Å; V275-I388 HydrophobicContact CG2-CD1 3.86Å; F317-I388 HydrophobicContact CD1-CG2 3.99Å; F317-I388 HydrophobicContact CE1-CG2 3.89Å; F317-I388 HydrophobicContact CZ-CD1 4.48Å; F317-I388 HydrophobicContact CZ-CG2 4.41Å; V384-I388 WeakPolarHBondContact O-CG1 3.36Å; V384-I388 PolarHBondContact O-N 2.94Å; V384-I388 VanDerWaalsContact O-N 3.09Å; L385-I388 HydrophobicContact CD2-CD1 4.3Å; L385-I388 PolarHBondContact O-N 3.07Å; I388-P390 VanDerWaalsContact C-N 3.34Å; I388-L391 WeakPolarHBondContact O-CB 3.46Å; I388-L391 PolarHBondContact O-N 3.3Å
389	K	98.1	Very high	96.8	Very high	114 Å²	114	48.6 Å²	48.6	50%	0.496	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-50.7	-41.2	-177.1	-178.5	-179	-178.1	-177.2	0	114.6	L385 E386 L391 L392	L385-K389 WeakPolarHBondContact O-CB 3.44Å; L385-K389 PolarHBondContact O-N 3.46Å; E386-K389 WeakPolarHBondContact O-CB 3.36Å; E386-K389 IonicContact OE1-NZ 3.95Å; E386-K389 PolarHBondContact OE1-NZ 3.46Å; E386-K389 VanDerWaalsContact OE1-NZ 3.08Å; E386-K389 VanDerWaalsContact OE2-CD 3.3Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.74Å; E386-K389 PolarHBondContact OE2-NZ 3.09Å; K389-L391 PolarHBondContact O-N 3.25Å; K389-L392 WeakPolarHBondContact O-CG 3.35Å; K389-L392 PolarHBondContact O-N 2.78Å
390	P	98.2	Very high	96.7	Very high	99 Å²	99	56.5 Å²	56.5	64%	0.643	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.2	177.1	-22.4	35.5	0	0	0	114	R264 Q387 I388	R264-P390 VanDerWaalsContact CD-O 3.31Å; R264-P390 WeakPolarHBondContact CD-O 2.99Å; Q387-P390 WeakPolarHBondContact O-CD 3.38Å; I388-P390 VanDerWaalsContact C-N 3.34Å
391	L	98.3	Very high	96.7	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.084	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-91.2	-5.9	-179	-56.4	176.7	0	0	0	113	D260 I263 R264 G268 L271 G316 I388 K389 L393	D260-L391 HydrophobicContact CB-CD2 4.42Å; I263-L391 HydrophobicContact CG2-CD1 4.15Å; I263-L391 HydrophobicContact CG2-CD2 4.28Å; R264-L391 HydrophobicContact CB-CD2 4.04Å; R264-L391 WeakPolarHBondContact CG-O 3.41Å; G268-L391 WeakPolarHBondContact CA-O 3.48Å; L271-L391 HydrophobicContact CD1-CB 3.67Å; L271-L391 HydrophobicContact CD1-CD1 4.14Å; G316-L391 VanDerWaalsContact CA-CD1 3.46Å; G316-L391 WeakPolarHBondContact O-CD1 3.43Å; I388-L391 WeakPolarHBondContact O-CB 3.46Å; I388-L391 PolarHBondContact O-N 3.3Å; K389-L391 PolarHBondContact O-N 3.25Å; L391-L393 PolarHBondContact O-N 2.92Å
392	L	98.4	Very high	96.5	Very high	53 Å²	53	57.8 Å²	57.8	28%	0.277	30%	0.297	S	S	.	.			trans	-70.2	134.3	-177	-58.4	-176.4	0	0	0	111.2	L271 V275 K389	L271-L392 HydrophobicContact CB-CD2 3.56Å; V275-L392 HydrophobicContact CG2-CD1 4.27Å; V275-L392 HydrophobicContact CG2-CD2 3.87Å; K389-L392 WeakPolarHBondContact O-CG 3.35Å; K389-L392 PolarHBondContact O-N 2.78Å
393	L	97.4	Very high	96.1	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	31%	0.307	C	S	.	.			trans	-136.6	133	179.1	-164.5	57.5	0	0	0	110.7	R264 L265 G268 V269 N272 L391 F398	R264-L393 VanDerWaalsContact NH1-CD1 3.33Å; L265-L393 HydrophobicContact CD2-CD2 4.13Å; G268-L393 CarbonylContact C-O 3.48Å; G268-L393 PolarHBondContact O-N 2.95Å; V269-L393 WeakPolarHBondContact CA-O 3.4Å; N272-L393 WeakPolarHBondContact CB-O 3.46Å; L391-L393 PolarHBondContact O-N 2.92Å; L393-F398 HydrophobicContact CD2-CB 3.84Å; L393-F398 HydrophobicContact CD2-CD2 4.07Å; L393-F398 HydrophobicContact CD2-CG 4.47Å; L393-F398 HydrophobicContact CG-CB 4.2Å
394	S	96.6	Very high	95	Very high	44 Å²	44	58.6 Å²	58.6	31%	0.308	31%	0.308	S	S	.	.			trans	-79.2	155.3	170.1	84.1	0	0	0	0	110.5	D396 S397 F398	S394-D396 VanDerWaalsContact C-N 3.27Å; S394-D396 PolarHBondContact O-N 2.82Å; S394-S397 PolarHBondContact O-N 3.4Å; S394-S397 VanDerWaalsContact OG-CB 3.31Å; S394-S397 WeakPolarHBondContact OG-CB 3.4Å; S394-S397 PolarHBondContact OG-N 2.71Å; S394-S397 PolarHBondContact OG-OG 2.62Å; S394-F398 PolarHBondContact O-N 3.08Å
395	T	94.9	Very high	93.2	Very high	57 Å²	57	64.8 Å²	64.8	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-40.7	175.4	-56.6	0	0	0	0	112.2	F398 Y399	T395-F398 WeakPolarHBondContact O-CB 3.35Å; T395-F398 PolarHBondContact O-N 2.99Å; T395-Y399 HydrophobicContact CG2-CD2 3.93Å; T395-Y399 HydrophobicContact CG2-CE2 3.5Å; T395-Y399 VanDerWaalsContact CG2-CE2 3.5Å; T395-Y399 WeakPolarHBondContact O-CD2 3.21Å; T395-Y399 PolarHBondContact O-N 3.47Å; T395-Y399 VanDerWaalsContact O-N 3.09Å
396	D	95.1	Very high	91.1	Very high	132 Å²	132	67.4 Å²	67.4	71%	0.706	35%	0.352	S	S	*	.	H	α-helix	trans	-67.8	-40	178.9	-63.7	-19.7	0	0	0	111.7	S394 Y399 K400	S394-D396 VanDerWaalsContact C-N 3.27Å; S394-D396 PolarHBondContact O-N 2.82Å; D396-Y399 PolarHBondContact O-N 3.45Å; D396-K400 WeakPolarHBondContact O-CB 3.25Å; D396-K400 PolarHBondContact O-N 2.93Å
397	S	95.6	Very high	88.8	Confident	48 Å²	48	66 Å²	66	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-42	174.3	-59.3	0	0	0	0	111.5	S394 K400 E401	S394-S397 PolarHBondContact O-N 3.4Å; S394-S397 VanDerWaalsContact OG-CB 3.31Å; S394-S397 WeakPolarHBondContact OG-CB 3.4Å; S394-S397 PolarHBondContact OG-N 2.71Å; S394-S397 PolarHBondContact OG-OG 2.62Å; S397-K400 PolarHBondContact O-N 2.91Å; S397-E401 WeakPolarHBondContact O-CG 3.3Å; S397-E401 PolarHBondContact O-N 2.98Å
398	F	96.1	Very high	86.4	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-55.9	-53.4	174.3	174.3	-85.6	0	0	0	110.8	T164 A169 C171 L265 V269 L393 S394 T395 K400 E401 C402	T164-F398 HydrophobicContact CG2-CD1 3.43Å; T164-F398 VanDerWaalsContact CG2-CD1 3.43Å; T164-F398 HydrophobicContact CG2-CE1 3.49Å; T164-F398 VanDerWaalsContact CG2-CE1 3.49Å; T164-F398 HydrophobicContact CG2-CG 4.25Å; T164-F398 HydrophobicContact CG2-CZ 4.31Å; A169-F398 HydrophobicContact CB-CE1 4Å; A169-F398 HydrophobicContact CB-CZ 4.08Å; C171-F398 HydrophobicContact CB-CE2 4.45Å; C171-F398 HydrophobicContact CB-CZ 4.1Å; L265-F398 WeakPolarHBondContact O-CD2 3.47Å; L265-F398 VanDerWaalsContact O-CE2 3.27Å; L265-F398 WeakPolarHBondContact O-CE2 3.42Å; V269-F398 HydrophobicContact CG2-CB 4Å; V269-F398 HydrophobicContact CG2-CG 4.41Å; L393-F398 HydrophobicContact CD2-CB 3.84Å; L393-F398 HydrophobicContact CD2-CD2 4.07Å; L393-F398 HydrophobicContact CD2-CG 4.47Å; L393-F398 HydrophobicContact CG-CB 4.2Å; S394-F398 PolarHBondContact O-N 3.08Å; T395-F398 WeakPolarHBondContact O-CB 3.35Å; T395-F398 PolarHBondContact O-N 2.99Å; F398-K400 VanDerWaalsContact C-N 3.3Å; F398-K400 PolarHBondContact O-N 2.83Å; F398-E401 PolarHBondContact O-N 3.26Å; F398-C402 HydrophobicContact CE1-CB 4.31Å; F398-C402 VanDerWaalsContact CE2-SG 3.54Å; F398-C402 VanDerWaalsContact CZ-SG 3.52Å; F398-C402 VanDerWaalsContact O-CB 3.25Å; F398-C402 WeakPolarHBondContact O-CB 3.03Å; F398-C402 PolarHBondContact O-N 3.39Å; F398-C402 PolarHBondContact O-SG 3.33Å
399	Y	95	Very high	83.9	Confident	91 Å²	91	71.6 Å²	71.6	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-40.8	179.4	-74.3	-59.5	0	0	0	112.2	T164 T395 D396 S403	T164-Y399 HydrophobicContact CG2-CE1 3.99Å; T164-Y399 HydrophobicContact CG2-CE2 4.13Å; T395-Y399 HydrophobicContact CG2-CD2 3.93Å; T395-Y399 HydrophobicContact CG2-CE2 3.5Å; T395-Y399 VanDerWaalsContact CG2-CE2 3.5Å; T395-Y399 WeakPolarHBondContact O-CD2 3.21Å; T395-Y399 PolarHBondContact O-N 3.47Å; T395-Y399 VanDerWaalsContact O-N 3.09Å; D396-Y399 PolarHBondContact O-N 3.45Å; Y399-S403 VanDerWaalsContact O-CB 3.25Å; Y399-S403 WeakPolarHBondContact O-CB 3.2Å; Y399-S403 PolarHBondContact O-N 2.82Å; Y399-S403 PolarHBondContact O-OG 3.26Å
400	K	94.9	Very high	81.5	Confident	166 Å²	166	71.3 Å²	71.3	72%	0.722	40%	0.396	S	S	*	.	H	α-helix	trans	-61.7	-45.4	178.3	-175.6	179.5	178.2	-178	0	112.3	D396 S397 F398	D396-K400 WeakPolarHBondContact O-CB 3.25Å; D396-K400 PolarHBondContact O-N 2.93Å; S397-K400 PolarHBondContact O-N 2.91Å; F398-K400 VanDerWaalsContact C-N 3.3Å; F398-K400 PolarHBondContact O-N 2.83Å
401	E	94.9	Very high	79.2	Confident	44 Å²	44	72.4 Å²	72.4	21%	0.206	40%	0.397	C	S	.	.	H	α-helix	trans	-73.2	-37.8	-179.6	-69.4	-175.4	-133.8	0	0	112.2	Y173 R264 L265 S397 F398 I404	Y173-E401 WeakPolarHBondContact CB-O 3.49Å; R264-E401 IonicContact CZ-OE1 3.17Å; R264-E401 IonicContact CZ-OE2 2.75Å; R264-E401 IonicContact NH1-OE1 3.03Å; R264-E401 PolarHBondContact NH1-OE1 2.86Å; R264-E401 IonicContact NH1-OE2 3.27Å; R264-E401 PolarHBondContact NH1-OE2 2.81Å; R264-E401 VanDerWaalsContact NH1-OE2 3.12Å; R264-E401 IonicContact NH2-OE1 3.76Å; R264-E401 IonicContact NH2-OE2 3.49Å; R264-E401 PolarHBondContact NH2-OE2 3.08Å; L265-E401 HydrophobicContact CD2-CB 4.2Å; S397-E401 WeakPolarHBondContact O-CG 3.3Å; S397-E401 PolarHBondContact O-N 2.98Å; F398-E401 PolarHBondContact O-N 3.26Å; E401-I404 WeakPolarHBondContact O-CG1 3.42Å; E401-I404 PolarHBondContact O-N 3.48Å
402	C	93.6	Very high	77	Confident	6 Å²	6	76 Å²	76	4%	0.041	42%	0.416	C	S	.	.	H	α-helix	trans	-77.2	-19.3	179.6	-67.3	0	0	0	0	113.6	C171 P172 F398 I404	C171-C402 HydrophobicContact CB-CB 3.74Å; C171-C402 WeakPolarHBondContact CB-SG 2.95Å; C171-C402 WeakPolarHBondContact SG-CB 3.49Å; C171-C402 CovalentContact SG-SG 2.04Å; C171-C402 PolarHBondContact SG-SG 2.94Å; P172-C402 WeakPolarHBondContact CD-O 3.35Å; F398-C402 HydrophobicContact CE1-CB 4.31Å; F398-C402 VanDerWaalsContact CE2-SG 3.54Å; F398-C402 VanDerWaalsContact CZ-SG 3.52Å; F398-C402 VanDerWaalsContact O-CB 3.25Å; F398-C402 WeakPolarHBondContact O-CB 3.03Å; F398-C402 PolarHBondContact O-N 3.39Å; F398-C402 PolarHBondContact O-SG 3.33Å; C402-I404 VanDerWaalsContact C-N 3.26Å; C402-I404 PolarHBondContact O-N 3.26Å
403	S	86.7	Confident	74.7	Confident	86 Å²	86	82 Å²	82	60%	0.601	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.1	174	-56.7	0	0	0	0	113.5	Y399 D405	Y399-S403 VanDerWaalsContact O-CB 3.25Å; Y399-S403 WeakPolarHBondContact O-CB 3.2Å; Y399-S403 PolarHBondContact O-N 2.82Å; Y399-S403 PolarHBondContact O-OG 3.26Å; S403-D405 PolarHBondContact O-N 2.9Å
404	I	74.4	Confident	72.8	Confident	79 Å²	79	85.7 Å²	85.7	41%	0.405	45%	0.454	S	S	.	.			trans	-73.8	99.6	176.6	-56.9	174.7	0	0	0	107.7	E401 C402 Q406	E401-I404 WeakPolarHBondContact O-CG1 3.42Å; E401-I404 PolarHBondContact O-N 3.48Å; C402-I404 VanDerWaalsContact C-N 3.26Å; C402-I404 PolarHBondContact O-N 3.26Å; I404-Q406 HydrophobicContact CG2-CG 4.32Å; I404-Q406 VanDerWaalsContact CG2-NE2 3.28Å; I404-Q406 PolarHBondContact O-N 3.42Å
405	D	58.8	Low	71.1	Confident	130 Å²	130	88.7 Å²	88.7	70%	0.695	46%	0.463	S	S	*	.			trans	-60.4	105.4	165	-73.5	-24.5	0	0	0	108.2	S403	S403-D405 PolarHBondContact O-N 2.9Å
406	Q	53.1	Low	69.8	Low	73 Å²	73	89.3 Å²	89.3	34%	0.341	47%	0.468	S	S	.	.			trans	-84.2	134.8	170.8	-74.4	-71.7	-58.7	0	0	108.8	Y173 I404 D408	Y173-Q406 HydrophobicContact CD2-CG 4.24Å; I404-Q406 HydrophobicContact CG2-CG 4.32Å; I404-Q406 VanDerWaalsContact CG2-NE2 3.28Å; I404-Q406 PolarHBondContact O-N 3.42Å; Q406-D408 PolarHBondContact O-N 3.22Å
407	P	50.8	Low	68.8	Low	86 Å²	86	87.2 Å²	87.2	56%	0.558	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	10.3	-167.7	23.8	-32.7	0	0	0	117
408	D	46.4	Very low	68	Low	125 Å²	125	88.2 Å²	88.2	67%	0.668	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	4.7	-176.1	-68.1	-23.9	0	0	0	114.7	Q406 V410	Q406-D408 PolarHBondContact O-N 3.22Å; D408-V410 VanDerWaalsContact C-N 3.27Å; D408-V410 PolarHBondContact O-N 3.34Å
409	S	45.8	Very low	67.2	Low	46 Å²	46	94.7 Å²	94.7	32%	0.322	49%	0.489	S	S	.	.			trans	-74.1	85.1	163.1	57.9	0	0	0	0	109.4	N411 D412	S409-N411 PolarHBondContact O-N 2.86Å; S409-D412 WeakPolarHBondContact CB-OD2 3.37Å; S409-D412 PolarHBondContact O-N 3.48Å; S409-D412 WeakPolarHBondContact OG-CB 3.47Å; S409-D412 PolarHBondContact OG-OD2 3.49Å
410	V	47.9	Very low	66.7	Low	108 Å²	108	96.1 Å²	96.1	66%	0.655	50%	0.501	S	S	*	.	H	α-helix	trans	-48.6	-29.2	168.5	177.2	0	0	0	0	110.9	D408 R413 L414	D408-V410 VanDerWaalsContact C-N 3.27Å; D408-V410 PolarHBondContact O-N 3.34Å; V410-R413 PolarHBondContact O-N 3.46Å; V410-L414 HydrophobicContact CG1-CD1 4.15Å; V410-L414 PolarHBondContact O-N 3.26Å
411	N	48.7	Very low	66.2	Low	122 Å²	122	94.9 Å²	94.9	65%	0.652	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-34.6	178.8	-138.7	22.3	0	0	0	114	S409 R413 L414 H415	S409-N411 PolarHBondContact O-N 2.86Å; N411-R413 VanDerWaalsContact C-N 3.33Å; N411-R413 PolarHBondContact O-N 3.43Å; N411-L414 PolarHBondContact O-N 2.91Å; N411-H415 PolarHBondContact O-N 2.88Å
412	D	52.1	Low	65.8	Low	92 Å²	92	96.2 Å²	96.2	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-75.2	-23.9	-179.7	-71.6	-33.7	0	0	0	112.3	S409 P416	S409-D412 WeakPolarHBondContact CB-OD2 3.37Å; S409-D412 PolarHBondContact O-N 3.48Å; S409-D412 WeakPolarHBondContact OG-CB 3.47Å; S409-D412 PolarHBondContact OG-OD2 3.49Å; D412-P416 WeakPolarHBondContact O-CD 3.08Å
413	R	50.7	Low	65.4	Low	178 Å²	178	97.8 Å²	97.8	67%	0.672	52%	0.524	S	S	*	.	H	α-helix	trans	-77.4	-26.7	171	-62	-162.3	-164.3	-162.3	7.5	113	V410 N411 I417	V410-R413 PolarHBondContact O-N 3.46Å; N411-R413 VanDerWaalsContact C-N 3.33Å; N411-R413 PolarHBondContact O-N 3.43Å; R413-I417 WeakPolarHBondContact O-CD1 3.3Å; R413-I417 WeakPolarHBondContact O-CG1 3.32Å
414	L	56.6	Low	65.4	Low	86 Å²	86	96 Å²	96	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-69.7	-35	175.2	-98.6	129	0	0	0	111.4	V410 N411 I417 V418	V410-L414 HydrophobicContact CG1-CD1 4.15Å; V410-L414 PolarHBondContact O-N 3.26Å; N411-L414 PolarHBondContact O-N 2.91Å; L414-I417 PolarHBondContact O-N 3.27Å; L414-V418 HydrophobicContact CD2-CG2 4.29Å; L414-V418 WeakPolarHBondContact O-CB 3.32Å; L414-V418 WeakPolarHBondContact O-CG2 3.3Å; L414-V418 PolarHBondContact O-N 3.29Å
415	H	61	Low	66	Low	106 Å²	106	95.5 Å²	95.5	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-49	-174.3	-130.3	-57.1	0	0	0	114.3	N411 V418 F419	N411-H415 PolarHBondContact O-N 2.88Å; H415-V418 PolarHBondContact O-N 2.93Å; H415-F419 AromaticContact CE1-CE2 3.3Å; H415-F419 WeakPolarHBondContact CE1-CE2 3.33Å; H415-F419 AromaticContact CE1-CZ 3.66Å; H415-F419 AromaticContact ND1-CD2 3.37Å; H415-F419 WeakPolarHBondContact ND1-CD2 3.47Å; H415-F419 AromaticContact ND1-CE2 2.91Å; H415-F419 WeakPolarHBondContact ND1-CE2 3.21Å; H415-F419 AromaticContact ND1-CZ 3.72Å; H415-F419 WeakPolarHBondContact O-CB 3.24Å; H415-F419 WeakPolarHBondContact O-CD2 3.39Å; H415-F419 PolarHBondContact O-N 2.96Å
416	P	67.4	Low	67.5	Low	70 Å²	70	94 Å²	94	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.5	-20.1	29.9	0	0	0	112.3	D412 F419 I420	D412-P416 WeakPolarHBondContact O-CD 3.08Å; P416-F419 PolarHBondContact O-N 3.47Å; P416-I420 WeakPolarHBondContact O-CD1 3.35Å; P416-I420 WeakPolarHBondContact O-CG1 3.3Å; P416-I420 PolarHBondContact O-N 2.95Å
417	I	75	Confident	69.3	Low	88 Å²	88	93.7 Å²	93.7	45%	0.451	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-46.9	-180	-65.4	174.6	0	0	0	109.9	R413 L414 F419 I420 F421	R413-I417 WeakPolarHBondContact O-CD1 3.3Å; R413-I417 WeakPolarHBondContact O-CG1 3.32Å; L414-I417 PolarHBondContact O-N 3.27Å; I417-F419 PolarHBondContact O-N 3.21Å; I417-I420 PolarHBondContact O-N 3.42Å; I417-F421 HydrophobicContact CG2-CD2 3.58Å; I417-F421 HydrophobicContact CG2-CE2 3.48Å; I417-F421 VanDerWaalsContact CG2-CE2 3.48Å; I417-F421 WeakPolarHBondContact O-CD2 3.31Å; I417-F421 PolarHBondContact O-N 2.87Å
418	V	78.1	Confident	71.1	Confident	70 Å²	70	92.9 Å²	92.9	42%	0.424	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-44	175.7	172.3	0	0	0	0	110.7	L414 H415 I420 F421 V422	L414-V418 HydrophobicContact CD2-CG2 4.29Å; L414-V418 WeakPolarHBondContact O-CB 3.32Å; L414-V418 WeakPolarHBondContact O-CG2 3.3Å; L414-V418 PolarHBondContact O-N 3.29Å; H415-V418 PolarHBondContact O-N 2.93Å; V418-I420 VanDerWaalsContact C-N 3.33Å; V418-I420 PolarHBondContact O-N 3.4Å; V418-F421 PolarHBondContact O-N 2.93Å; V418-V422 HydrophobicContact CG1-CG2 4.1Å; V418-V422 WeakPolarHBondContact O-CB 3.46Å; V418-V422 VanDerWaalsContact O-CG2 3.24Å; V418-V422 WeakPolarHBondContact O-CG2 3.24Å; V418-V422 PolarHBondContact O-N 3.34Å
419	F	79.8	Confident	73.3	Confident	137 Å²	137	90.9 Å²	90.9	60%	0.601	50%	0.504	S	S	*	.	H	α-helix	trans	-61.6	-39.1	175.7	-83.2	-59.3	0	0	0	112.8	H415 P416 I417 G423	H415-F419 AromaticContact CE1-CE2 3.3Å; H415-F419 WeakPolarHBondContact CE1-CE2 3.33Å; H415-F419 AromaticContact CE1-CZ 3.66Å; H415-F419 AromaticContact ND1-CD2 3.37Å; H415-F419 WeakPolarHBondContact ND1-CD2 3.47Å; H415-F419 AromaticContact ND1-CE2 2.91Å; H415-F419 WeakPolarHBondContact ND1-CE2 3.21Å; H415-F419 AromaticContact ND1-CZ 3.72Å; H415-F419 WeakPolarHBondContact O-CB 3.24Å; H415-F419 WeakPolarHBondContact O-CD2 3.39Å; H415-F419 PolarHBondContact O-N 2.96Å; P416-F419 PolarHBondContact O-N 3.47Å; I417-F419 PolarHBondContact O-N 3.21Å; F419-G423 PolarHBondContact O-N 2.89Å
420	I	84.2	Confident	75.6	Confident	121 Å²	121	93.1 Å²	93.1	62%	0.621	51%	0.511	S	S	*	.	H	α-helix	trans	-64.3	-46.1	174.8	-69.4	163.6	0	0	0	110.5	P416 I417 V418 G423 A424	P416-I420 WeakPolarHBondContact O-CD1 3.35Å; P416-I420 WeakPolarHBondContact O-CG1 3.3Å; P416-I420 PolarHBondContact O-N 2.95Å; I417-I420 PolarHBondContact O-N 3.42Å; V418-I420 VanDerWaalsContact C-N 3.33Å; V418-I420 PolarHBondContact O-N 3.4Å; I420-G423 PolarHBondContact O-N 3.38Å; I420-A424 VanDerWaalsContact O-CB 3.28Å; I420-A424 WeakPolarHBondContact O-CB 3.38Å; I420-A424 PolarHBondContact O-N 3.45Å
421	F	84.5	Confident	77.8	Confident	139 Å²	139	94 Å²	94	61%	0.61	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-41.3	179	-82.9	-70.4	0	0	0	112.7	I417 V418 A424 S425	I417-F421 HydrophobicContact CG2-CD2 3.58Å; I417-F421 HydrophobicContact CG2-CE2 3.48Å; I417-F421 VanDerWaalsContact CG2-CE2 3.48Å; I417-F421 WeakPolarHBondContact O-CD2 3.31Å; I417-F421 PolarHBondContact O-N 2.87Å; V418-F421 PolarHBondContact O-N 2.93Å; F421-A424 PolarHBondContact O-N 3.44Å; F421-S425 WeakPolarHBondContact O-CB 3.46Å; F421-S425 PolarHBondContact O-N 3.32Å; F421-S425 PolarHBondContact O-OG 3.5Å
422	V	86	Confident	79.9	Confident	72 Å²	72	94 Å²	94	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-45.1	175.8	172.1	0	0	0	0	110.1	V418 A424 S425 I426	V418-V422 HydrophobicContact CG1-CG2 4.1Å; V418-V422 WeakPolarHBondContact O-CB 3.46Å; V418-V422 VanDerWaalsContact O-CG2 3.24Å; V418-V422 WeakPolarHBondContact O-CG2 3.24Å; V418-V422 PolarHBondContact O-N 3.34Å; V422-A424 PolarHBondContact O-N 2.9Å; V422-S425 PolarHBondContact O-N 3.32Å; V422-I426 HydrophobicContact CG1-CD1 3.76Å; V422-I426 HydrophobicContact CG1-CG1 4.43Å; V422-I426 VanDerWaalsContact O-CG1 3.3Å; V422-I426 WeakPolarHBondContact O-CG1 3.4Å; V422-I426 PolarHBondContact O-N 3.5Å
423	G	85.3	Confident	81.9	Confident	40 Å²	40	94.3 Å²	94.3	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-44.2	175.6	0	0	0	0	0	113	F419 I420 S425 I426 S427	F419-G423 PolarHBondContact O-N 2.89Å; I420-G423 PolarHBondContact O-N 3.38Å; G423-S425 VanDerWaalsContact C-N 3.34Å; G423-S425 PolarHBondContact O-N 3Å; G423-I426 PolarHBondContact O-N 3.23Å; G423-S427 VanDerWaalsContact O-CB 3.32Å; G423-S427 WeakPolarHBondContact O-CB 3.39Å; G423-S427 PolarHBondContact O-N 3.22Å
424	A	87.1	Confident	84	Confident	49 Å²	49	89.1 Å²	89.1	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-37.4	176.1	0	0	0	0	0	112.3	I420 F421 V422 S428	I420-A424 VanDerWaalsContact O-CB 3.28Å; I420-A424 WeakPolarHBondContact O-CB 3.38Å; I420-A424 PolarHBondContact O-N 3.45Å; F421-A424 PolarHBondContact O-N 3.44Å; V422-A424 PolarHBondContact O-N 2.9Å; A424-S428 WeakPolarHBondContact O-CB 3.46Å; A424-S428 PolarHBondContact O-N 3.46Å; A424-S428 PolarHBondContact O-OG 2.91Å
425	S	86.6	Confident	85.7	Confident	68 Å²	68	92 Å²	92	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-68.1	-46.3	177.3	-58.2	0	0	0	0	111.4	F421 V422 G423 S428 V429	F421-S425 WeakPolarHBondContact O-CB 3.46Å; F421-S425 PolarHBondContact O-N 3.32Å; F421-S425 PolarHBondContact O-OG 3.5Å; V422-S425 PolarHBondContact O-N 3.32Å; G423-S425 VanDerWaalsContact C-N 3.34Å; G423-S425 PolarHBondContact O-N 3Å; S425-S428 PolarHBondContact O-N 3.47Å; S425-V429 WeakPolarHBondContact O-CG2 3.48Å; S425-V429 PolarHBondContact O-N 3.32Å
426	I	90.2	Very high	87.2	Confident	97 Å²	97	94.5 Å²	94.5	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-46.1	176.3	-68	168.3	0	0	0	110.5	V422 G423 S428 V429 I430	V422-I426 HydrophobicContact CG1-CD1 3.76Å; V422-I426 HydrophobicContact CG1-CG1 4.43Å; V422-I426 VanDerWaalsContact O-CG1 3.3Å; V422-I426 WeakPolarHBondContact O-CG1 3.4Å; V422-I426 PolarHBondContact O-N 3.5Å; G423-I426 PolarHBondContact O-N 3.23Å; I426-S428 VanDerWaalsContact C-N 3.31Å; I426-S428 PolarHBondContact O-N 3Å; I426-V429 PolarHBondContact O-N 3.3Å; I426-I430 HydrophobicContact CG2-CD1 3.76Å; I426-I430 HydrophobicContact CG2-CG1 4.42Å; I426-I430 VanDerWaalsContact O-CG1 3.3Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 2.69Å
427	S	90.3	Very high	88.4	Confident	67 Å²	67	97.9 Å²	97.9	47%	0.469	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-41.8	177.4	-174.1	0	0	0	0	111.7	G423 I430 M431	G423-S427 VanDerWaalsContact O-CB 3.32Å; G423-S427 WeakPolarHBondContact O-CB 3.39Å; G423-S427 PolarHBondContact O-N 3.22Å; S427-I430 PolarHBondContact O-N 3.45Å; S427-M431 WeakPolarHBondContact O-CB 3.34Å; S427-M431 VanDerWaalsContact O-CG 3.31Å; S427-M431 WeakPolarHBondContact O-CG 3.49Å; S427-M431 PolarHBondContact O-N 2.73Å
428	S	90.1	Very high	89.2	Confident	70 Å²	70	99.9 Å²	99.9	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-42.1	177.4	-60.6	0	0	0	0	112.2	A424 S425 I426 M431 L432	A424-S428 WeakPolarHBondContact O-CB 3.46Å; A424-S428 PolarHBondContact O-N 3.46Å; A424-S428 PolarHBondContact O-OG 2.91Å; S425-S428 PolarHBondContact O-N 3.47Å; I426-S428 VanDerWaalsContact C-N 3.31Å; I426-S428 PolarHBondContact O-N 3Å; S428-M431 PolarHBondContact O-N 3.22Å; S428-L432 VanDerWaalsContact O-CG 3.31Å; S428-L432 WeakPolarHBondContact O-CG 3.22Å; S428-L432 PolarHBondContact O-N 3.42Å
429	V	92.8	Very high	89.8	Confident	83 Å²	83	98.3 Å²	98.3	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-43.4	174.9	172.4	0	0	0	0	111	S425 I426 M431 L432 L433	S425-V429 WeakPolarHBondContact O-CG2 3.48Å; S425-V429 PolarHBondContact O-N 3.32Å; I426-V429 PolarHBondContact O-N 3.3Å; V429-M431 PolarHBondContact O-N 2.95Å; V429-L432 PolarHBondContact O-N 3.23Å; V429-L433 HydrophobicContact CG1-CD1 4.07Å; V429-L433 HydrophobicContact CG1-CG 4.47Å; V429-L433 WeakPolarHBondContact O-CG 3.47Å; V429-L433 PolarHBondContact O-N 3.19Å
430	I	93.3	Very high	90.2	Very high	93 Å²	93	95.5 Å²	95.5	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176.3	-68.3	168.2	0	0	0	110.6	I426 S427 L432 L433 V434	I426-I430 HydrophobicContact CG2-CD1 3.76Å; I426-I430 HydrophobicContact CG2-CG1 4.42Å; I426-I430 VanDerWaalsContact O-CG1 3.3Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 2.69Å; S427-I430 PolarHBondContact O-N 3.45Å; I430-L432 VanDerWaalsContact C-N 3.33Å; I430-L432 PolarHBondContact O-N 3.03Å; I430-L433 PolarHBondContact O-N 2.77Å; I430-V434 HydrophobicContact CG2-CG2 4.31Å; I430-V434 VanDerWaalsContact O-CG2 3.3Å; I430-V434 WeakPolarHBondContact O-CG2 3.33Å; I430-V434 PolarHBondContact O-N 3.36Å
431	M	93.4	Very high	90.4	Very high	126 Å²	126	97.3 Å²	97.3	62%	0.621	50%	0.502	S	S	*	.	H	α-helix	trans	-61	-40.9	177.6	-75.9	-66.5	-69.2	0	0	112.3	S427 S428 V429 V434 F435	S427-M431 WeakPolarHBondContact O-CB 3.34Å; S427-M431 VanDerWaalsContact O-CG 3.31Å; S427-M431 WeakPolarHBondContact O-CG 3.49Å; S427-M431 PolarHBondContact O-N 2.73Å; S428-M431 PolarHBondContact O-N 3.22Å; V429-M431 PolarHBondContact O-N 2.95Å; M431-V434 PolarHBondContact O-N 3.5Å; M431-F435 WeakPolarHBondContact O-CB 3.39Å; M431-F435 PolarHBondContact O-N 2.96Å
432	L	94.2	Very high	90.5	Very high	121 Å²	121	96.4 Å²	96.4	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-65.5	-40.5	175.4	-72.3	171.9	0	0	0	112.1	S428 V429 I430 F435 W436	S428-L432 VanDerWaalsContact O-CG 3.31Å; S428-L432 WeakPolarHBondContact O-CG 3.22Å; S428-L432 PolarHBondContact O-N 3.42Å; V429-L432 PolarHBondContact O-N 3.23Å; I430-L432 VanDerWaalsContact C-N 3.33Å; I430-L432 PolarHBondContact O-N 3.03Å; L432-F435 PolarHBondContact O-N 3.43Å; L432-W436 VanDerWaalsContact O-CB 3.24Å; L432-W436 WeakPolarHBondContact O-CB 3.18Å; L432-W436 PolarHBondContact O-N 3.37Å
433	L	94	Very high	90.3	Very high	100 Å²	100	101.9 Å²	101.9	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-41.1	176	-71.7	172.6	0	0	0	112	V429 I430 W436 Y437	V429-L433 HydrophobicContact CG1-CD1 4.07Å; V429-L433 HydrophobicContact CG1-CG 4.47Å; V429-L433 WeakPolarHBondContact O-CG 3.47Å; V429-L433 PolarHBondContact O-N 3.19Å; I430-L433 PolarHBondContact O-N 2.77Å; L433-W436 PolarHBondContact O-N 3.05Å; L433-Y437 WeakPolarHBondContact O-CB 3.38Å; L433-Y437 PolarHBondContact O-N 3.48Å
434	V	93.5	Very high	90.1	Very high	68 Å²	68	108.8 Å²	108.8	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-48.7	174.7	171.5	0	0	0	0	110.1	I430 M431 W436 Y437 Y438	I430-V434 HydrophobicContact CG2-CG2 4.31Å; I430-V434 VanDerWaalsContact O-CG2 3.3Å; I430-V434 WeakPolarHBondContact O-CG2 3.33Å; I430-V434 PolarHBondContact O-N 3.36Å; M431-V434 PolarHBondContact O-N 3.5Å; V434-W436 VanDerWaalsContact C-N 3.32Å; V434-W436 PolarHBondContact O-N 3.24Å; V434-Y437 PolarHBondContact O-N 3.12Å; V434-Y438 HydrophobicContact CG1-CD2 3.74Å; V434-Y438 HydrophobicContact CG1-CE2 3.83Å; V434-Y438 WeakPolarHBondContact O-CD2 3.39Å; V434-Y438 PolarHBondContact O-N 3.06Å
435	F	93.7	Very high	89.8	Confident	148 Å²	148	113.7 Å²	113.7	65%	0.649	54%	0.538	S	S	*	.	H	α-helix	trans	-58.8	-44.6	176.9	-178.7	-97.2	0	0	0	111.8	M431 L432 Y437 Y438 S439	M431-F435 WeakPolarHBondContact O-CB 3.39Å; M431-F435 PolarHBondContact O-N 2.96Å; L432-F435 PolarHBondContact O-N 3.43Å; F435-Y437 PolarHBondContact O-N 3.03Å; F435-Y438 PolarHBondContact O-N 3.19Å; F435-S439 WeakPolarHBondContact O-CB 3.28Å; F435-S439 PolarHBondContact O-N 2.92Å
436	W	92.3	Very high	89.3	Confident	157 Å²	157	113.5 Å²	113.5	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-60	-46.8	176.1	-178.3	68.8	0	0	0	111.7	L432 L433 V434 Y438 S439 L440	L432-W436 VanDerWaalsContact O-CB 3.24Å; L432-W436 WeakPolarHBondContact O-CB 3.18Å; L432-W436 PolarHBondContact O-N 3.37Å; L433-W436 PolarHBondContact O-N 3.05Å; V434-W436 VanDerWaalsContact C-N 3.32Å; V434-W436 PolarHBondContact O-N 3.24Å; W436-Y438 PolarHBondContact O-N 3.48Å; W436-S439 PolarHBondContact O-N 2.95Å; W436-S439 PolarHBondContact O-OG 2.92Å; W436-L440 HydrophobicContact CD2-CD1 3.92Å; W436-L440 HydrophobicContact CE3-CD1 4.08Å; W436-L440 HydrophobicContact CH2-CD1 3.84Å; W436-L440 HydrophobicContact CZ2-CD1 3.66Å; W436-L440 HydrophobicContact CZ3-CD1 4.04Å; W436-L440 WeakPolarHBondContact O-CG 3.32Å; W436-L440 PolarHBondContact O-N 3.18Å
437	Y	92.9	Very high	88.6	Confident	142 Å²	142	111.9 Å²	111.9	56%	0.557	53%	0.534	S	S	*	.	H	α-helix	trans	-58.9	-45.7	175.4	176.1	-101.2	0	0	0	112.7	L433 V434 F435 S439 L440 R441	L433-Y437 WeakPolarHBondContact O-CB 3.38Å; L433-Y437 PolarHBondContact O-N 3.48Å; V434-Y437 PolarHBondContact O-N 3.12Å; F435-Y437 PolarHBondContact O-N 3.03Å; Y437-S439 VanDerWaalsContact C-N 3.34Å; Y437-S439 PolarHBondContact O-N 3.5Å; Y437-L440 PolarHBondContact O-N 2.9Å; Y437-R441 PolarHBondContact O-N 3.25Å
438	Y	92	Very high	87.7	Confident	129 Å²	129	113.3 Å²	113.3	51%	0.506	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-39.1	176.5	-90.5	-85.4	0	0	0	112.2	V434 F435 W436 L440 R441 L442	V434-Y438 HydrophobicContact CG1-CD2 3.74Å; V434-Y438 HydrophobicContact CG1-CE2 3.83Å; V434-Y438 WeakPolarHBondContact O-CD2 3.39Å; V434-Y438 PolarHBondContact O-N 3.06Å; F435-Y438 PolarHBondContact O-N 3.19Å; W436-Y438 PolarHBondContact O-N 3.48Å; Y438-L440 VanDerWaalsContact C-N 3.35Å; Y438-L440 PolarHBondContact O-N 2.7Å; Y438-R441 PolarHBondContact O-N 2.74Å; Y438-L442 WeakPolarHBondContact O-CB 3.31Å; Y438-L442 PolarHBondContact O-N 2.85Å
439	S	89.9	Confident	86.7	Confident	37 Å²	37	113.3 Å²	113.3	26%	0.259	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-38.1	176.9	76.9	0	0	0	0	112.5	F435 W436 Y437 R443	F435-S439 WeakPolarHBondContact O-CB 3.28Å; F435-S439 PolarHBondContact O-N 2.92Å; W436-S439 PolarHBondContact O-N 2.95Å; W436-S439 PolarHBondContact O-OG 2.92Å; Y437-S439 VanDerWaalsContact C-N 3.34Å; Y437-S439 PolarHBondContact O-N 3.5Å; S439-R443 WeakPolarHBondContact O-CG 3.43Å; S439-R443 PolarHBondContact O-N 3.41Å
440	L	88.7	Confident	85.5	Confident	78 Å²	78	113.2 Å²	113.2	41%	0.408	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-41	173.2	-72	173.8	0	0	0	111.5	W436 Y437 Y438 R443 R444	W436-L440 HydrophobicContact CD2-CD1 3.92Å; W436-L440 HydrophobicContact CE3-CD1 4.08Å; W436-L440 HydrophobicContact CH2-CD1 3.84Å; W436-L440 HydrophobicContact CZ2-CD1 3.66Å; W436-L440 HydrophobicContact CZ3-CD1 4.04Å; W436-L440 WeakPolarHBondContact O-CG 3.32Å; W436-L440 PolarHBondContact O-N 3.18Å; Y437-L440 PolarHBondContact O-N 2.9Å; Y438-L440 VanDerWaalsContact C-N 3.35Å; Y438-L440 PolarHBondContact O-N 2.7Å; L440-R443 PolarHBondContact O-N 2.91Å; L440-R444 PolarHBondContact O-N 3.48Å
441	R	88.2	Confident	84.1	Confident	159 Å²	159	112.4 Å²	112.4	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-66.2	-42.5	178.4	-162.9	-176.9	-176.1	-167.6	1.4	112	Y437 Y438 R444 Y445	Y437-R441 PolarHBondContact O-N 3.25Å; Y438-R441 PolarHBondContact O-N 2.74Å; R441-R444 PolarHBondContact O-N 2.96Å; R441-Y445 PolarHBondContact O-N 2.98Å
442	L	85.4	Confident	82.6	Confident	121 Å²	121	113 Å²	113	63%	0.634	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-45.2	175	-82.2	160.9	0	0	0	111.7	Y438 R444 Y445 S446	Y438-L442 WeakPolarHBondContact O-CB 3.31Å; Y438-L442 PolarHBondContact O-N 2.85Å; L442-R444 VanDerWaalsContact C-N 3.31Å; L442-R444 PolarHBondContact O-N 3.48Å; L442-Y445 PolarHBondContact O-N 2.89Å; L442-S446 PolarHBondContact O-N 2.98Å; L442-S446 PolarHBondContact O-OG 3.25Å
443	R	83.4	Confident	80.9	Confident	187 Å²	187	114.6 Å²	114.6	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-42.5	174.9	-78	-177.8	178.9	-170.8	0.6	112.2	S439 L440 S446 S447	S439-R443 WeakPolarHBondContact O-CG 3.43Å; S439-R443 PolarHBondContact O-N 3.41Å; L440-R443 PolarHBondContact O-N 2.91Å; R443-S446 WeakPolarHBondContact CA-OG 3.33Å; R443-S446 PolarHBondContact O-N 3.46Å; R443-S446 PolarHBondContact O-OG 2.88Å; R443-S447 PolarHBondContact O-N 2.78Å; R443-S447 PolarHBondContact O-OG 3.25Å
444	R	81.4	Confident	79.2	Confident	185 Å²	185	117.1 Å²	117.1	70%	0.698	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-38.8	177.2	-170.3	176.5	179.5	177.2	-0	112.3	L440 R441 L442 S447 L448	L440-R444 PolarHBondContact O-N 3.48Å; R441-R444 PolarHBondContact O-N 2.96Å; L442-R444 VanDerWaalsContact C-N 3.31Å; L442-R444 PolarHBondContact O-N 3.48Å; R444-S447 WeakPolarHBondContact CA-OG 3.49Å; R444-S447 PolarHBondContact O-N 2.88Å; R444-S447 PolarHBondContact O-OG 2.93Å; R444-L448 WeakPolarHBondContact O-CG 3.44Å; R444-L448 PolarHBondContact O-N 3.05Å
445	Y	79.7	Confident	77.3	Confident	152 Å²	152	119.7 Å²	119.7	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-65.7	-47.5	175.6	-163.5	-86.7	0	0	0	111.1	R441 L442 S447 L448 D449	R441-Y445 PolarHBondContact O-N 2.98Å; L442-Y445 PolarHBondContact O-N 2.89Å; Y445-S447 VanDerWaalsContact C-N 3.25Å; Y445-S447 PolarHBondContact O-N 3.44Å; Y445-L448 WeakPolarHBondContact O-CB 3.27Å; Y445-L448 PolarHBondContact O-N 3.41Å; Y445-D449 WeakPolarHBondContact CD1-OD2 3.22Å; Y445-D449 VanDerWaalsContact CE1-OD2 3.22Å; Y445-D449 WeakPolarHBondContact CE1-OD2 3.45Å; Y445-D449 PolarHBondContact O-N 3.29Å
446	S	77.2	Confident	75.1	Confident	63 Å²	63	122.4 Å²	122.4	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-32.3	175.8	58.2	0	0	0	0	113.4	L442 R443 L448 V450	L442-S446 PolarHBondContact O-N 2.98Å; L442-S446 PolarHBondContact O-OG 3.25Å; R443-S446 WeakPolarHBondContact CA-OG 3.33Å; R443-S446 PolarHBondContact O-N 3.46Å; R443-S446 PolarHBondContact O-OG 2.88Å; S446-L448 VanDerWaalsContact C-N 3.34Å; S446-V450 VanDerWaalsContact O-CG2 3.27Å; S446-V450 WeakPolarHBondContact O-CG2 3.39Å; S446-V450 PolarHBondContact O-N 3.33Å
447	S	74.2	Confident	74.3	Confident	64 Å²	64	120.7 Å²	120.7	45%	0.448	58%	0.578	S	S	.	*	H	α-helix	trans	-71.2	-29.7	174.7	59.7	0	0	0	0	113.1	R443 R444 Y445 T451	R443-S447 PolarHBondContact O-N 2.78Å; R443-S447 PolarHBondContact O-OG 3.25Å; R444-S447 WeakPolarHBondContact CA-OG 3.49Å; R444-S447 PolarHBondContact O-N 2.88Å; R444-S447 PolarHBondContact O-OG 2.93Å; Y445-S447 VanDerWaalsContact C-N 3.25Å; Y445-S447 PolarHBondContact O-N 3.44Å; S447-T451 PolarHBondContact O-N 2.96Å; S447-T451 PolarHBondContact O-OG1 3.28Å; S447-T451 VanDerWaalsContact O-OG1 3.05Å
448	L	72.6	Confident	73.3	Confident	97 Å²	97	119.5 Å²	119.5	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-74.1	-43.6	177.8	-73.2	166.7	0	0	0	111.3	R444 Y445 S446 V450 T451 E452	R444-L448 WeakPolarHBondContact O-CG 3.44Å; R444-L448 PolarHBondContact O-N 3.05Å; Y445-L448 WeakPolarHBondContact O-CB 3.27Å; Y445-L448 PolarHBondContact O-N 3.41Å; S446-L448 VanDerWaalsContact C-N 3.34Å; L448-V450 VanDerWaalsContact C-N 3.26Å; L448-V450 PolarHBondContact O-N 3.31Å; L448-T451 WeakPolarHBondContact CA-OG1 3.35Å; L448-T451 PolarHBondContact O-N 2.99Å; L448-T451 VanDerWaalsContact O-N 3.14Å; L448-T451 PolarHBondContact O-OG1 3.39Å; L448-E452 PolarHBondContact O-N 3.14Å
449	D	68.7	Low	72.2	Confident	69 Å²	69	119 Å²	119	37%	0.369	58%	0.584	S	S	.	*	H	α-helix	trans	-58.6	-38.5	175.5	-73.8	-17.2	0	0	0	111.6	Y445 E452 Q453	Y445-D449 WeakPolarHBondContact CD1-OD2 3.22Å; Y445-D449 VanDerWaalsContact CE1-OD2 3.22Å; Y445-D449 WeakPolarHBondContact CE1-OD2 3.45Å; Y445-D449 PolarHBondContact O-N 3.29Å; D449-E452 PolarHBondContact O-N 3.33Å; D449-Q453 PolarHBondContact O-N 3.11Å; D449-Q453 VanDerWaalsContact O-N 3.11Å
450	V	67.2	Low	71.2	Confident	82 Å²	82	123.8 Å²	123.8	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-67.9	-38.5	177.1	173.2	0	0	0	0	111.9	S446 L448 Q454	S446-V450 VanDerWaalsContact O-CG2 3.27Å; S446-V450 WeakPolarHBondContact O-CG2 3.39Å; S446-V450 PolarHBondContact O-N 3.33Å; L448-V450 VanDerWaalsContact C-N 3.26Å; L448-V450 PolarHBondContact O-N 3.31Å; V450-Q454 PolarHBondContact O-N 3.42Å
451	T	64.5	Low	70.1	Confident	75 Å²	75	126.7 Å²	126.7	46%	0.46	62%	0.615	S	S	.	*	H	α-helix	trans	-69.6	-35.3	175.1	34.2	0	0	0	0	112.7	S447 L448 Q454 T455	S447-T451 PolarHBondContact O-N 2.96Å; S447-T451 PolarHBondContact O-OG1 3.28Å; S447-T451 VanDerWaalsContact O-OG1 3.05Å; L448-T451 WeakPolarHBondContact CA-OG1 3.35Å; L448-T451 PolarHBondContact O-N 2.99Å; L448-T451 VanDerWaalsContact O-N 3.14Å; L448-T451 PolarHBondContact O-OG1 3.39Å; T451-Q454 PolarHBondContact O-N 2.83Å; T451-T455 PolarHBondContact O-OG1 3.06Å
452	E	61.2	Low	68.9	Low	138 Å²	138	124.5 Å²	124.5	65%	0.645	62%	0.616	S	S	*	*	H	α-helix	trans	-70.2	-36.8	179.3	-155.2	166.8	-161.6	0	0	111.3	L448 D449 Q454 T455	L448-E452 PolarHBondContact O-N 3.14Å; D449-E452 PolarHBondContact O-N 3.33Å; E452-Q454 VanDerWaalsContact C-N 3.28Å; E452-Q454 PolarHBondContact O-N 3.22Å; E452-T455 PolarHBondContact O-N 2.79Å
453	Q	58.5	Low	67.7	Low	156 Å²	156	124.8 Å²	124.8	73%	0.729	62%	0.615	S	S	*	*	H	α-helix	trans	-67.4	-20.6	172.8	-84.4	-175.5	-25.9	0	0	114.8	D449 T455	D449-Q453 PolarHBondContact O-N 3.11Å; D449-Q453 VanDerWaalsContact O-N 3.11Å; Q453-T455 VanDerWaalsContact C-N 3.33Å
454	Q	59	Low	66.5	Low	153 Å²	153	120 Å²	120	72%	0.715	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.4	175.8	-74.8	-177	-18.1	0	0	113.5	V450 T451 E452	V450-Q454 PolarHBondContact O-N 3.42Å; T451-Q454 PolarHBondContact O-N 2.83Å; E452-Q454 VanDerWaalsContact C-N 3.28Å; E452-Q454 PolarHBondContact O-N 3.22Å
455	T	53	Low	65.3	Low	121 Å²	121	114.6 Å²	114.6	74%	0.742	60%	0.6	S	S	*	*			trans	-111.7	9.7	-175.4	-26.5	0	0	0	0	113.8	T451 E452 Q453	T451-T455 PolarHBondContact O-OG1 3.06Å; E452-T455 PolarHBondContact O-N 2.79Å; Q453-T455 VanDerWaalsContact C-N 3.33Å
456	I	47.6	Very low	64	Low	205 Å²	205	111.2 Å²	111.2	100%	1.051	60%	0.6	S	S	*	*			trans	-110.2	0	168.5	-55.5	176.1	0	0	0	107.7

Retrieved 456 of 456 residues in 106.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).