A0A077Z127_TRITR Loading...

Putative alpha-L-fucosidase

Alpha-L-fucosidase is responsible for hydrolyzing the alpha-1,6-linked fucose joined to the reducing-end N-acetylglucosamine of the carbohydrate moieties of glycoproteins.

AlphaFold DB , UniProt , Accession A0A077Z127, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 466 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	43.7	Very low	247 Å²	247	137 Å²	137	100%	1.217	87%	0.871	S	S	*	*				0	127.3	0	-88.4	-178.7	-89.3	0	0	107.8
2	V	36.9	Very low	43.9	Very low	148 Å²	148	139 Å²	139	90%	0.897	87%	0.868	S	S	*	*			trans	-100.8	133.8	-156.9	175.7	0	0	0	0	110.3
3	A	44.1	Very low	43.7	Very low	104 Å²	104	135.5 Å²	135.5	86%	0.86	85%	0.852	S	S	*	*			trans	-165	115.5	153	0	0	0	0	0	105.8
4	G	40.5	Very low	43.7	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	84%	0.844	S	S	*	*			cis	121.5	66.2	27.6	0	0	0	0	0	107.7	S6	G4-S6 PolarHBondContact O-N 3.35Å
5	C	45.5	Very low	43.6	Very low	134 Å²	134	140.3 Å²	140.3	91%	0.905	84%	0.844	S	S	*	*			trans	-76.1	108.3	176	-85.1	0	0	0	0	110.1
6	S	45.5	Very low	43.4	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	84%	0.838	S	S	*	*			trans	-82.4	113.2	169.6	-62.8	0	0	0	0	110.3	G4	G4-S6 PolarHBondContact O-N 3.35Å
7	L	44.1	Very low	43.6	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	83%	0.83	S	S	*	*			trans	-71.5	118	165	-96.6	119.4	0	0	0	109.7	L9	L7-L9 PolarHBondContact O-N 3.34Å
8	L	45.4	Very low	43.9	Very low	172 Å²	172	135.9 Å²	135.9	90%	0.901	83%	0.828	S	S	*	*			trans	-79.5	103.2	164.9	-96.6	142.2	0	0	0	109	A10	L8-A10 PolarHBondContact O-N 3.39Å
9	L	43.5	Very low	44.8	Very low	163 Å²	163	134.9 Å²	134.9	85%	0.853	82%	0.817	S	S	*	*			trans	-75.9	102.3	164.2	-98.5	143.3	0	0	0	108.6	L7 A11	L7-L9 PolarHBondContact O-N 3.34Å; L9-A11 PolarHBondContact O-N 3.19Å
10	A	47.7	Very low	46.2	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	81%	0.812	S	S	*	*			trans	-75.2	107.5	166.5	0	0	0	0	0	109	L8 L12	L8-A10 PolarHBondContact O-N 3.39Å; A10-L12 PolarHBondContact O-N 2.94Å
11	A	44	Very low	48.5	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	81%	0.808	S	S	*	*			trans	-70.1	105.3	170.4	0	0	0	0	0	109.5	L9 S13	L9-A11 PolarHBondContact O-N 3.19Å; A11-S13 PolarHBondContact O-N 3.3Å
12	L	45.9	Very low	51	Low	161 Å²	161	124.4 Å²	124.4	84%	0.843	76%	0.755	S	S	*	*			trans	-74.7	99.3	166.4	-82	157.6	0	0	0	108.5	A10 V14	A10-L12 PolarHBondContact O-N 2.94Å; L12-V14 PolarHBondContact O-N 3.32Å; L12-V14 VanDerWaalsContact O-N 3.08Å
13	S	40.7	Very low	53.9	Low	93 Å²	93	120.6 Å²	120.6	65%	0.65	73%	0.732	S	S	*	*			trans	-66.3	100.2	165.9	53	0	0	0	0	109.1	A11 W15	A11-S13 PolarHBondContact O-N 3.3Å; S13-W15 PolarHBondContact O-N 3.12Å
14	V	43.8	Very low	56.4	Low	124 Å²	124	118.1 Å²	118.1	75%	0.752	71%	0.707	S	S	*	*			trans	-72.7	104.1	169.3	-177.8	0	0	0	0	107.4	L12 S16	L12-V14 PolarHBondContact O-N 3.32Å; L12-V14 VanDerWaalsContact O-N 3.08Å; V14-S16 PolarHBondContact O-N 2.86Å
15	W	42.6	Very low	59.1	Low	220 Å²	220	118 Å²	118	83%	0.833	69%	0.691	S	S	*	*			trans	-69.2	97.7	165.2	-78.5	69.2	0	0	0	107.7	S13 I17	S13-W15 PolarHBondContact O-N 3.12Å; W15-I17 PolarHBondContact O-N 2.71Å
16	S	40.8	Very low	61.6	Low	108 Å²	108	112.6 Å²	112.6	76%	0.755	65%	0.651	S	S	*	*			trans	-66	91.9	162.1	-61.9	0	0	0	0	107.4	V14 A18	V14-S16 PolarHBondContact O-N 2.86Å; S16-A18 VanDerWaalsContact C-N 3.29Å; S16-A18 PolarHBondContact O-N 3.21Å
17	I	46.3	Very low	64	Low	138 Å²	138	113.9 Å²	113.9	71%	0.708	65%	0.649	S	S	*	*			trans	-60.5	103.2	160.6	-59.2	171.9	0	0	0	104.3	W15 L19	W15-I17 PolarHBondContact O-N 2.71Å; I17-L19 HydrophobicContact CG2-CD1 4.17Å; I17-L19 PolarHBondContact O-N 3.08Å
18	A	48.4	Very low	66.6	Low	96 Å²	96	107 Å²	107	79%	0.793	62%	0.615	S	S	*	*			trans	-62.8	94	165.2	0	0	0	0	0	105.7	S16 S20	S16-A18 VanDerWaalsContact C-N 3.29Å; S16-A18 PolarHBondContact O-N 3.21Å; A18-S20 PolarHBondContact O-N 2.86Å
19	L	62.2	Low	69.1	Low	117 Å²	117	99 Å²	99	61%	0.613	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.4	119.1	171.2	-102.4	82.2	0	0	0	106.2	I17 K21	I17-L19 HydrophobicContact CG2-CD1 4.17Å; I17-L19 PolarHBondContact O-N 3.08Å; L19-K21 PolarHBondContact O-N 3.4Å
20	S	72.8	Confident	71.6	Confident	103 Å²	103	94 Å²	94	72%	0.72	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-51	133.8	169.2	48.4	0	0	0	0	108.2	A18 Y22	A18-S20 PolarHBondContact O-N 2.86Å; S20-Y22 PolarHBondContact O-N 3.46Å
21	K	93.3	Very high	74	Confident	165 Å²	165	93.4 Å²	93.4	72%	0.717	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.5	140.3	175.4	-70.1	-174.4	178	-177.2	0	109.7	L19 T23 N237	L19-K21 PolarHBondContact O-N 3.4Å; K21-T23 PolarHBondContact O-N 2.89Å; K21-N237 VanDerWaalsContact CA-OD1 3.26Å; K21-N237 WeakPolarHBondContact CA-OD1 3.03Å; K21-N237 WeakPolarHBondContact CB-OD1 3.22Å
22	Y	96.9	Very high	76.4	Confident	28 Å²	28	89.8 Å²	89.8	11%	0.11	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-66.7	128	173.7	-63.3	-74.5	0	0	0	109.8	S20 S28 R32 Y236 N237	S20-Y22 PolarHBondContact O-N 3.46Å; Y22-S28 WeakPolarHBondContact CA-OG 3.49Å; Y22-S28 VanDerWaalsContact CD1-O 3.32Å; Y22-S28 WeakPolarHBondContact CD1-O 3.02Å; Y22-R32 HydrophobicContact CD1-CB 4.42Å; Y22-R32 HydrophobicContact CE1-CB 3.65Å; Y22-R32 HydrophobicContact CE1-CG 4.28Å; Y22-R32 HydrophobicContact CE2-CG 4.32Å; Y22-Y236 VanDerWaalsContact CD2-CB 3.42Å; Y22-Y236 HydrophobicContact CD2-CD2 4.41Å; Y22-Y236 HydrophobicContact CD2-CG 4.37Å; Y22-Y236 HydrophobicContact CG-CD2 4.35Å; Y22-N237 PolarHBondContact N-ND2 3.05Å; Y22-N237 PolarHBondContact N-OD1 3.34Å; Y22-N237 PolarHBondContact O-ND2 3.44Å
23	T	97.8	Very high	78.8	Confident	68 Å²	68	86.5 Å²	86.5	42%	0.417	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-89.8	156	175.2	44.1	0	0	0	0	110.2	K21 D25 S28	K21-T23 PolarHBondContact O-N 2.89Å; T23-D25 WeakPolarHBondContact CB-OD2 3.24Å; T23-D25 PolarHBondContact O-N 3.12Å; T23-D25 PolarHBondContact OG1-OD2 3.46Å; T23-S28 PolarHBondContact N-OG 3.43Å; T23-S28 WeakPolarHBondContact OG1-CB 3.22Å; T23-S28 PolarHBondContact OG1-OG 2.81Å
24	P	97.6	Very high	81.4	Confident	52 Å²	52	84.5 Å²	84.5	34%	0.338	47%	0.472	S	S	.	.	S	Bend	trans	-78.2	51.6	-175.3	34	-37.5	0	0	0	112.8	T229 E230 A233	P24-T229 WeakPolarHBondContact O-CB 3.08Å; P24-T229 PolarHBondContact O-OG1 2.8Å; P24-E230 VanDerWaalsContact CB-CD 3.48Å; P24-E230 HydrophobicContact CB-CG 4.05Å; P24-E230 WeakPolarHBondContact CG-OE1 3.47Å; P24-A233 HydrophobicContact CB-CB 4.04Å
25	D	97.1	Very high	83.9	Confident	63 Å²	63	79.3 Å²	79.3	34%	0.337	44%	0.441	S	S	.	.	S	Bend	trans	-136.3	153.5	175.7	63.8	85.2	0	0	0	110.3	T23 D27 S28 L29	T23-D25 WeakPolarHBondContact CB-OD2 3.24Å; T23-D25 PolarHBondContact O-N 3.12Å; T23-D25 PolarHBondContact OG1-OD2 3.46Å; D25-D27 PolarHBondContact O-N 3.44Å; D25-D27 PolarHBondContact OD1-N 2.82Å; D25-S28 PolarHBondContact O-N 3.08Å; D25-S28 WeakPolarHBondContact OD1-CB 3.43Å; D25-S28 PolarHBondContact OD1-N 2.8Å; D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.34Å; D25-L29 PolarHBondContact O-N 2.77Å
26	W	97.5	Very high	86.5	Confident	20 Å²	20	74.2 Å²	74.2	8%	0.076	43%	0.426	C	S	.	.	H	α-helix	trans	-65.9	-37.3	-171.8	-68	121.3	0	0	0	113.8	S28 L29 D30 Y223 T229 L232 W251 T255 H259	W26-S28 VanDerWaalsContact C-N 3.28Å; W26-S28 PolarHBondContact O-N 3.4Å; W26-L29 HydrophobicContact CE3-CB 4.46Å; W26-L29 HydrophobicContact CE3-CD1 4.2Å; W26-L29 HydrophobicContact CZ3-CD1 4.32Å; W26-L29 PolarHBondContact O-N 2.8Å; W26-D30 WeakPolarHBondContact O-CB 3.36Å; W26-D30 VanDerWaalsContact O-CG 3.29Å; W26-D30 PolarHBondContact O-N 3.38Å; W26-Y223 HydrophobicContact CZ2-CD1 4.13Å; W26-Y223 HydrophobicContact CZ2-CD2 4.1Å; W26-Y223 AromaticContact CZ2-CG 3.75Å; W26-Y223 HydrophobicContact CZ2-CG 3.75Å; W26-Y223 AromaticContact NE1-CD1 3.51Å; W26-Y223 AromaticContact NE1-CD2 3.72Å; W26-Y223 AromaticContact NE1-CE1 3.35Å; W26-Y223 AromaticContact NE1-CE2 3.59Å; W26-Y223 AromaticContact NE1-CG 3.7Å; W26-Y223 AromaticContact NE1-CZ 3.41Å; W26-T229 HydrophobicContact CD2-CG2 3.97Å; W26-T229 HydrophobicContact CE3-CG2 4.36Å; W26-T229 HydrophobicContact CH2-CG2 4.1Å; W26-T229 HydrophobicContact CZ2-CG2 3.69Å; W26-T229 HydrophobicContact CZ3-CG2 4.42Å; W26-L232 HydrophobicContact CH2-CD1 3.97Å; W26-L232 HydrophobicContact CZ3-CD1 3.73Å; W26-W251 HydrophobicContact CH2-CB 3.86Å; W26-W251 HydrophobicContact CH2-CG 4.47Å; W26-T255 HydrophobicContact CH2-CG2 4.1Å; W26-T255 HydrophobicContact CZ2-CG2 3.58Å; W26-H259 VanDerWaalsContact CB-CE1 3.43Å; W26-H259 WeakPolarHBondContact CB-CE1 3.44Å; W26-H259 WeakPolarHBondContact CB-ND1 3.38Å; W26-H259 AromaticContact CD1-CD2 3.83Å; W26-H259 AromaticContact CD1-CE1 3.71Å; W26-H259 AromaticContact CD1-NE2 3.5Å; W26-H259 HydrophobicContact CD2-CB 3.87Å; W26-H259 AromaticContact CD2-CD2 3.72Å; W26-H259 AromaticContact CD2-CG 3.48Å; W26-H259 VanDerWaalsContact CD2-CG 3.48Å; W26-H259 AromaticContact CD2-ND1 3.71Å; W26-H259 AromaticContact CE2-CD2 3.72Å; W26-H259 AromaticContact CE2-CG 3.91Å; W26-H259 HydrophobicContact CE3-CB 3.52Å; W26-H259 AromaticContact CE3-CG 3.67Å; W26-H259 AromaticContact CE3-ND1 3.98Å; W26-H259 AromaticContact CG-CD2 3.82Å; W26-H259 AromaticContact CG-CE1 3.44Å; W26-H259 VanDerWaalsContact CG-CE1 3.44Å; W26-H259 AromaticContact CG-CG 3.74Å; W26-H259 AromaticContact CG-ND1 3.5Å; W26-H259 AromaticContact CG-NE2 3.65Å; W26-H259 HydrophobicContact CH2-CB 4.15Å; W26-H259 HydrophobicContact CZ2-CB 4.43Å; W26-H259 HydrophobicContact CZ3-CB 3.68Å; W26-H259 AromaticContact NE1-CD2 3.78Å; W26-H259 AromaticContact NE1-NE2 3.85Å
27	D	96.6	Very high	89.2	Confident	145 Å²	145	70.8 Å²	70.8	78%	0.775	40%	0.397	S	S	*	.	H	α-helix	trans	-59.8	-42.4	178.8	-70.5	-14.3	0	0	0	110.9	D25 S31	D25-D27 PolarHBondContact O-N 3.44Å; D25-D27 PolarHBondContact OD1-N 2.82Å; D27-S31 PolarHBondContact O-N 2.78Å
28	S	97.6	Very high	91.7	Very high	19 Å²	19	64.3 Å²	64.3	13%	0.133	36%	0.363	C	S	.	.	H	α-helix	trans	-68.8	-49.2	174.4	-165.4	0	0	0	0	112.3	Y22 T23 D25 W26 D30 S31	Y22-S28 WeakPolarHBondContact CA-OG 3.49Å; Y22-S28 VanDerWaalsContact CD1-O 3.32Å; Y22-S28 WeakPolarHBondContact CD1-O 3.02Å; T23-S28 PolarHBondContact N-OG 3.43Å; T23-S28 WeakPolarHBondContact OG1-CB 3.22Å; T23-S28 PolarHBondContact OG1-OG 2.81Å; D25-S28 PolarHBondContact O-N 3.08Å; D25-S28 WeakPolarHBondContact OD1-CB 3.43Å; D25-S28 PolarHBondContact OD1-N 2.8Å; W26-S28 VanDerWaalsContact C-N 3.28Å; W26-S28 PolarHBondContact O-N 3.4Å; S28-D30 PolarHBondContact O-N 3.38Å; S28-S31 WeakPolarHBondContact O-CB 3.38Å; S28-S31 PolarHBondContact O-N 3.49Å; S28-S31 PolarHBondContact O-OG 3.04Å
29	L	97.9	Very high	94	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-40.9	-175	-66.5	171	0	0	0	112.9	D25 W26 S31 R32 T229 L232 A233 Y236	D25-L29 WeakPolarHBondContact O-CB 3.25Å; D25-L29 WeakPolarHBondContact O-CG 3.34Å; D25-L29 PolarHBondContact O-N 2.77Å; W26-L29 HydrophobicContact CE3-CB 4.46Å; W26-L29 HydrophobicContact CE3-CD1 4.2Å; W26-L29 HydrophobicContact CZ3-CD1 4.32Å; W26-L29 PolarHBondContact O-N 2.8Å; L29-S31 PolarHBondContact O-N 3.08Å; L29-R32 VanDerWaalsContact O-CB 3.3Å; L29-R32 WeakPolarHBondContact O-CB 3.45Å; L29-R32 PolarHBondContact O-N 3.23Å; L29-T229 HydrophobicContact CD1-CG2 3.92Å; L29-L232 HydrophobicContact CD1-CB 3.9Å; L29-L232 HydrophobicContact CD1-CD1 4.26Å; L29-L232 HydrophobicContact CD2-CB 3.89Å; L29-L232 HydrophobicContact CG-CB 4.49Å; L29-A233 HydrophobicContact CD2-CB 4.17Å; L29-Y236 HydrophobicContact CB-CE2 4.46Å; L29-Y236 HydrophobicContact CD2-CD2 3.75Å; L29-Y236 HydrophobicContact CD2-CE2 4.02Å
30	D	97.1	Very high	95.7	Very high	57 Å²	57	57.5 Å²	57.5	31%	0.305	32%	0.315	S	S	.	.	H	α-helix	trans	-74.2	-15.8	179.2	-65.8	-20.8	0	0	0	111.7	W26 S28 R32 H259 G260	W26-D30 WeakPolarHBondContact O-CB 3.36Å; W26-D30 VanDerWaalsContact O-CG 3.29Å; W26-D30 PolarHBondContact O-N 3.38Å; S28-D30 PolarHBondContact O-N 3.38Å; D30-R32 PolarHBondContact O-N 3.26Å; D30-H259 IonicContact OD2-CE1 3.52Å; D30-H259 IonicContact OD2-CG 3.42Å; D30-H259 IonicContact OD2-ND1 3.56Å; D30-H259 PolarHBondContact OD2-ND1 2.94Å; D30-G260 PolarHBondContact OD1-N 2.73Å
31	S	96.4	Very high	96.9	Very high	79 Å²	79	52.8 Å²	52.8	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.9	170.6	82	0	0	0	0	113.4	D27 S28 L29	D27-S31 PolarHBondContact O-N 2.78Å; S28-S31 WeakPolarHBondContact O-CB 3.38Å; S28-S31 PolarHBondContact O-N 3.49Å; S28-S31 PolarHBondContact O-OG 3.04Å; L29-S31 PolarHBondContact O-N 3.08Å
32	R	95.6	Very high	97.2	Very high	26 Å²	26	45 Å²	45	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-66.5	123.6	179.4	-178.5	170.6	174.8	-86.1	5.3	110.5	Y22 L29 D30 L34 Y236 K242 V245	Y22-R32 HydrophobicContact CD1-CB 4.42Å; Y22-R32 HydrophobicContact CE1-CB 3.65Å; Y22-R32 HydrophobicContact CE1-CG 4.28Å; Y22-R32 HydrophobicContact CE2-CG 4.32Å; L29-R32 VanDerWaalsContact O-CB 3.3Å; L29-R32 WeakPolarHBondContact O-CB 3.45Å; L29-R32 PolarHBondContact O-N 3.23Å; D30-R32 PolarHBondContact O-N 3.26Å; R32-L34 PolarHBondContact O-N 3.27Å; R32-Y236 HydrophobicContact CB-CD2 4.35Å; R32-Y236 HydrophobicContact CB-CE2 4.2Å; R32-Y236 VanDerWaalsContact CD-CD2 3.42Å; R32-K242 PolarHBondContact NH2-O 3.43Å; R32-V245 VanDerWaalsContact CZ-O 3.23Å; R32-V245 PolarHBondContact NH1-O 2.75Å; R32-V245 PolarHBondContact NH2-O 2.92Å
33	P	95.5	Very high	97.3	Very high	91 Å²	91	43.7 Å²	43.7	59%	0.591	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-64.4	138.1	177.4	27	-34.2	0	0	0	111	P35	P33-P35 WeakPolarHBondContact O-CD 3.44Å
34	L	96	Very high	97.3	Very high	52 Å²	52	40.4 Å²	40.4	27%	0.272	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-62.9	128.1	172.3	179.8	74.5	0	0	0	109.9	R32 Q36 Y38 D39 V246 V262 K278	R32-L34 PolarHBondContact O-N 3.27Å; L34-Q36 PolarHBondContact O-N 3.19Å; L34-Y38 HydrophobicContact CD1-CD1 3.94Å; L34-Y38 HydrophobicContact CD1-CG 4.36Å; L34-Y38 HydrophobicContact CD2-CD1 4.12Å; L34-Y38 HydrophobicContact CG-CD1 4.43Å; L34-D39 HydrophobicContact CD2-CB 4.24Å; L34-V246 HydrophobicContact CD1-CG1 4.24Å; L34-V246 HydrophobicContact CD1-CG2 4.32Å; L34-V262 HydrophobicContact CD1-CG2 3.72Å; L34-K278 HydrophobicContact CD2-CB 3.78Å; L34-K278 HydrophobicContact CD2-CD 4.13Å; L34-K278 HydrophobicContact CD2-CG 3.56Å
35	P	96.8	Very high	97.4	Very high	14 Å²	14	38 Å²	38	9%	0.091	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-55.8	126.5	173.6	-28.3	36.3	0	0	0	112.2	P33 W37 Y38 E244 V246	P33-P35 WeakPolarHBondContact O-CD 3.44Å; P35-W37 VanDerWaalsContact CB-CD1 3.47Å; P35-W37 HydrophobicContact CB-CG 4.45Å; P35-W37 PolarHBondContact O-N 3.4Å; P35-W37 VanDerWaalsContact O-N 3.12Å; P35-Y38 WeakPolarHBondContact O-CB 3.46Å; P35-Y38 PolarHBondContact O-N 2.93Å; P35-E244 VanDerWaalsContact CG-O 3.31Å; P35-E244 WeakPolarHBondContact CG-O 3.27Å; P35-V246 HydrophobicContact CB-CG2 4.48Å; P35-V246 HydrophobicContact CG-CG2 4.13Å
36	Q	96.1	Very high	97.5	Very high	113 Å²	113	35 Å²	35	53%	0.528	19%	0.191	S	C	.	.	H	α-helix	trans	-56	-35	-173.9	179.8	63.6	37.9	0	0	113.2	L34 Y38 D39 D40	L34-Q36 PolarHBondContact O-N 3.19Å; Q36-Y38 PolarHBondContact O-N 3.2Å; Q36-D39 PolarHBondContact O-N 3.42Å; Q36-D40 WeakPolarHBondContact CG-OD2 3.48Å; Q36-D40 PolarHBondContact NE2-OD1 3.36Å; Q36-D40 PolarHBondContact NE2-OD2 2.81Å; Q36-D40 PolarHBondContact O-N 3.05Å
37	W	97.9	Very high	97.6	Very high	36 Å²	36	34 Å²	34	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-35.2	178.6	75.1	-101.6	0	0	0	111.9	P35 D40 A41 Y117 R164 D211 V212 E244 V246	P35-W37 VanDerWaalsContact CB-CD1 3.47Å; P35-W37 HydrophobicContact CB-CG 4.45Å; P35-W37 PolarHBondContact O-N 3.4Å; P35-W37 VanDerWaalsContact O-N 3.12Å; W37-D40 PolarHBondContact O-N 2.86Å; W37-A41 HydrophobicContact CE3-CB 4.33Å; W37-A41 HydrophobicContact CZ3-CB 4.44Å; W37-A41 VanDerWaalsContact O-CB 3.27Å; W37-A41 WeakPolarHBondContact O-CB 3.29Å; W37-A41 PolarHBondContact O-N 2.95Å; W37-Y117 HydrophobicContact CZ3-CG 4.31Å; W37-R164 HydrophobicContact CD2-CG 4.15Å; W37-R164 HydrophobicContact CE3-CB 4.28Å; W37-R164 HydrophobicContact CE3-CG 3.73Å; W37-R164 HydrophobicContact CH2-CB 4.1Å; W37-R164 HydrophobicContact CH2-CG 4.34Å; W37-R164 HydrophobicContact CZ3-CB 3.86Å; W37-R164 HydrophobicContact CZ3-CG 3.85Å; W37-D211 HydrophobicContact CH2-CB 4.17Å; W37-D211 HydrophobicContact CZ2-CB 3.84Å; W37-V212 HydrophobicContact CH2-CG2 3.69Å; W37-V212 HydrophobicContact CZ2-CG2 4.24Å; W37-E244 PolarHBondContact NE1-O 3.22Å; W37-V246 HydrophobicContact CH2-CG2 4.24Å; W37-V246 HydrophobicContact CZ2-CB 4.4Å; W37-V246 HydrophobicContact CZ2-CG2 3.55Å
38	Y	98.4	Very high	97.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-73.1	-43.3	-177.7	-174.2	-92	0	0	0	110.9	L34 P35 Q36 D40 A41 Y117 V246 V262 K278 E280 N320	L34-Y38 HydrophobicContact CD1-CD1 3.94Å; L34-Y38 HydrophobicContact CD1-CG 4.36Å; L34-Y38 HydrophobicContact CD2-CD1 4.12Å; L34-Y38 HydrophobicContact CG-CD1 4.43Å; P35-Y38 WeakPolarHBondContact O-CB 3.46Å; P35-Y38 PolarHBondContact O-N 2.93Å; Q36-Y38 PolarHBondContact O-N 3.2Å; Y38-D40 VanDerWaalsContact C-N 3.26Å; Y38-D40 PolarHBondContact O-N 2.93Å; Y38-A41 WeakPolarHBondContact O-CB 3.44Å; Y38-A41 PolarHBondContact O-N 2.86Å; Y38-Y117 HydrophobicContact CE2-CD2 4.5Å; Y38-Y117 AromaticContact CE2-CE2 3.99Å; Y38-Y117 HydrophobicContact CE2-CE2 3.99Å; Y38-V246 HydrophobicContact CD1-CG1 4.45Å; Y38-V246 HydrophobicContact CD2-CB 4.2Å; Y38-V246 HydrophobicContact CD2-CG1 3.92Å; Y38-V246 HydrophobicContact CD2-CG2 3.8Å; Y38-V246 HydrophobicContact CE1-CG1 4.47Å; Y38-V246 HydrophobicContact CE2-CG1 3.92Å; Y38-V246 HydrophobicContact CG-CG1 4.17Å; Y38-V246 HydrophobicContact CG-CG2 3.85Å; Y38-V262 HydrophobicContact CD1-CG2 3.94Å; Y38-V262 HydrophobicContact CE1-CB 4.31Å; Y38-V262 HydrophobicContact CE1-CG1 4Å; Y38-V262 HydrophobicContact CE1-CG2 3.35Å; Y38-K278 HydrophobicContact CE1-CG 4.33Å; Y38-E280 PolarHBondContact OH-OE2 2.98Å; Y38-N320 HydrophobicContact CE1-CB 4.45Å; Y38-N320 PolarHBondContact O-ND2 2.61Å
39	D	97.5	Very high	97.7	Very high	32 Å²	32	26.5 Å²	26.5	17%	0.171	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-31.6	173.7	-174.3	55.1	0	0	0	111.7	L34 Q36 K42 K278 K378	L34-D39 HydrophobicContact CD2-CB 4.24Å; Q36-D39 PolarHBondContact O-N 3.42Å; D39-K42 WeakPolarHBondContact O-CD 3.41Å; D39-K42 WeakPolarHBondContact O-CE 3.33Å; D39-K42 PolarHBondContact O-NZ 2.92Å; D39-K42 IonicContact OD1-NZ 3.99Å; D39-K42 PolarHBondContact OD1-NZ 3.27Å; D39-K42 IonicContact OD2-NZ 3.91Å; D39-K278 WeakPolarHBondContact OD1-CE 3.22Å; D39-K278 IonicContact OD1-NZ 3.85Å; D39-K278 PolarHBondContact OD1-NZ 2.89Å; D39-K378 VanDerWaalsContact OD2-CE 3.26Å; D39-K378 WeakPolarHBondContact OD2-CE 3.16Å; D39-K378 IonicContact OD2-NZ 2.67Å; D39-K378 PolarHBondContact OD2-NZ 2.86Å
40	D	98	Very high	97.7	Very high	39 Å²	39	26.4 Å²	26.4	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-74.2	-27.5	175.4	-75.3	-38.2	0	0	0	114.1	Q36 W37 Y38 S357 K378	Q36-D40 WeakPolarHBondContact CG-OD2 3.48Å; Q36-D40 PolarHBondContact NE2-OD1 3.36Å; Q36-D40 PolarHBondContact NE2-OD2 2.81Å; Q36-D40 PolarHBondContact O-N 3.05Å; W37-D40 PolarHBondContact O-N 2.86Å; Y38-D40 VanDerWaalsContact C-N 3.26Å; Y38-D40 PolarHBondContact O-N 2.93Å; D40-S357 WeakPolarHBondContact CB-OG 3.25Å; D40-S357 VanDerWaalsContact CG-OG 3.31Å; D40-S357 PolarHBondContact O-N 2.97Å; D40-S357 VanDerWaalsContact O-N 3.09Å; D40-S357 VanDerWaalsContact OD1-CA 3.28Å; D40-S357 WeakPolarHBondContact OD1-CA 3.28Å; D40-S357 WeakPolarHBondContact OD1-CB 3.46Å; D40-S357 PolarHBondContact OD1-OG 2.91Å; D40-K378 IonicContact OD1-NZ 3.56Å; D40-K378 PolarHBondContact OD1-NZ 3.01Å
41	A	98.5	Very high	97.8	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-43.3	-171.5	0	0	0	0	0	114.4	W37 Y38 F43 K116 Y117 Y356	W37-A41 HydrophobicContact CE3-CB 4.33Å; W37-A41 HydrophobicContact CZ3-CB 4.44Å; W37-A41 VanDerWaalsContact O-CB 3.27Å; W37-A41 WeakPolarHBondContact O-CB 3.29Å; W37-A41 PolarHBondContact O-N 2.95Å; Y38-A41 WeakPolarHBondContact O-CB 3.44Å; Y38-A41 PolarHBondContact O-N 2.86Å; A41-F43 PolarHBondContact O-N 2.87Å; A41-K116 HydrophobicContact CB-CB 3.68Å; A41-K116 HydrophobicContact CB-CG 4.4Å; A41-K116 WeakPolarHBondContact O-CG 3.27Å; A41-Y117 HydrophobicContact CB-CD1 3.87Å; A41-Y117 HydrophobicContact CB-CE1 4.17Å; A41-Y356 VanDerWaalsContact O-CD1 3.25Å; A41-Y356 WeakPolarHBondContact O-CD1 3.43Å; A41-Y356 WeakPolarHBondContact O-CE1 3.34Å
42	K	98.7	Very high	97.9	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.104	C	C	.	.			trans	58.4	-32.5	179.9	-54.1	-49	-175	-172.7	0	118.3	D39 V315 N320 L321 I355 T358	D39-K42 WeakPolarHBondContact O-CD 3.41Å; D39-K42 WeakPolarHBondContact O-CE 3.33Å; D39-K42 PolarHBondContact O-NZ 2.92Å; D39-K42 IonicContact OD1-NZ 3.99Å; D39-K42 PolarHBondContact OD1-NZ 3.27Å; D39-K42 IonicContact OD2-NZ 3.91Å; K42-V315 HydrophobicContact CB-CG2 3.92Å; K42-V315 HydrophobicContact CD-CG1 4.25Å; K42-V315 HydrophobicContact CG-CG1 4.3Å; K42-V315 HydrophobicContact CG-CG2 4.39Å; K42-N320 WeakPolarHBondContact CA-OD1 3.29Å; K42-N320 CarbonylContact O-C 3.5Å; K42-N320 VanDerWaalsContact O-CA 3.24Å; K42-N320 WeakPolarHBondContact O-CA 3.4Å; K42-L321 PolarHBondContact O-N 2.78Å; K42-I355 HydrophobicContact CB-CG2 3.85Å; K42-I355 HydrophobicContact CG-CG2 4.25Å; K42-I355 VanDerWaalsContact CG-O 3.27Å; K42-I355 WeakPolarHBondContact CG-O 3.36Å; K42-T358 WeakPolarHBondContact CE-O 3.08Å; K42-T358 PolarHBondContact NZ-O 2.61Å
43	F	98.9	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	-174.7	-179.1	-124.5	0	0	0	111.2	A41 I45 S113 A115 K116 L311 L321 L323 I344 L348	A41-F43 PolarHBondContact O-N 2.87Å; F43-I45 HydrophobicContact CE1-CD1 4Å; F43-I45 HydrophobicContact CE2-CD1 4.14Å; F43-I45 HydrophobicContact CZ-CD1 3.49Å; F43-I45 VanDerWaalsContact CZ-CD1 3.49Å; F43-S113 WeakPolarHBondContact CE1-O 3.44Å; F43-A115 HydrophobicContact CD1-CB 4.04Å; F43-A115 HydrophobicContact CE1-CB 4.11Å; F43-A115 WeakPolarHBondContact O-CA 3.42Å; F43-K116 PolarHBondContact O-N 3.04Å; F43-L311 HydrophobicContact CB-CD1 4.15Å; F43-L311 HydrophobicContact CD2-CD1 4.15Å; F43-L311 HydrophobicContact CG-CD1 4.39Å; F43-L321 WeakPolarHBondContact CA-O 3.48Å; F43-L321 HydrophobicContact CD2-CB 4.15Å; F43-L321 HydrophobicContact CD2-CD2 4.06Å; F43-L321 HydrophobicContact CD2-CG 4.14Å; F43-L321 WeakPolarHBondContact CD2-O 3.4Å; F43-L321 HydrophobicContact CE2-CD2 3.98Å; F43-L321 HydrophobicContact CE2-CG 4.27Å; F43-L323 HydrophobicContact CE2-CB 3.72Å; F43-L323 HydrophobicContact CE2-CD2 4.13Å; F43-L323 HydrophobicContact CZ-CB 4.3Å; F43-L323 HydrophobicContact CZ-CD2 4.15Å; F43-I344 HydrophobicContact CD1-CG2 4.45Å; F43-I344 HydrophobicContact CE1-CG2 3.78Å; F43-I344 HydrophobicContact CZ-CD1 4.22Å; F43-I344 HydrophobicContact CZ-CG2 3.9Å; F43-L348 HydrophobicContact CD1-CD1 3.71Å; F43-L348 HydrophobicContact CE1-CD1 4.19Å; F43-L348 HydrophobicContact CG-CD1 4.37Å
44	G	98.9	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.4	175.7	0	0	0	0	0	112.1	Y117 L321 L323	G44-Y117 CarbonylContact C-O 3.58Å; G44-Y117 WeakPolarHBondContact CA-O 3.39Å; G44-L321 PolarHBondContact N-O 2.78Å; G44-L323 PolarHBondContact O-N 2.93Å
45	I	98.9	Very high	98.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.8	172.1	-60	-51.3	0	0	0	110.4	F43 I110 A115 Y117 F118 V119 L322 L323 V325 L341	F43-I45 HydrophobicContact CE1-CD1 4Å; F43-I45 HydrophobicContact CE2-CD1 4.14Å; F43-I45 HydrophobicContact CZ-CD1 3.49Å; F43-I45 VanDerWaalsContact CZ-CD1 3.49Å; I45-I110 HydrophobicContact CB-CD1 4.03Å; I45-I110 HydrophobicContact CB-CG2 4.25Å; I45-I110 HydrophobicContact CG1-CD1 4.11Å; I45-I110 HydrophobicContact CG1-CG2 4.08Å; I45-I110 HydrophobicContact CG2-CD1 3.65Å; I45-A115 HydrophobicContact CD1-CB 4.37Å; I45-A115 HydrophobicContact CG1-CB 3.72Å; I45-Y117 PolarHBondContact N-O 3.03Å; I45-F118 HydrophobicContact CB-CD2 4.13Å; I45-F118 HydrophobicContact CG2-CD2 4.23Å; I45-F118 HydrophobicContact CG2-CE2 4.39Å; I45-F118 CarbonylContact O-C 3.6Å; I45-F118 VanDerWaalsContact O-CA 3.29Å; I45-F118 WeakPolarHBondContact O-CA 3.19Å; I45-F118 WeakPolarHBondContact O-CD2 3.17Å; I45-V119 PolarHBondContact O-N 2.97Å; I45-L322 VanDerWaalsContact C-CD1 3.49Å; I45-L323 CarbonylContact C-O 3.48Å; I45-L323 WeakPolarHBondContact CA-O 3.05Å; I45-L323 HydrophobicContact CD1-CB 4.24Å; I45-V325 HydrophobicContact CG2-CG1 4.4Å; I45-V325 HydrophobicContact CG2-CG2 3.82Å; I45-L341 HydrophobicContact CD1-CD2 3.37Å; I45-L341 HydrophobicContact CG1-CD2 4.11Å
46	F	98.8	Very high	98.3	Very high	1 Å²	1	12 Å²	12	0%	0.004	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	150.6	166.9	-138.9	159.4	0	0	0	109.5	H48 V119 T121 Y168 W214 W290 L322 L323 N324 V325	F46-H48 AromaticContact CE1-CE1 3.77Å; F46-H48 AromaticContact CE2-CE1 3.69Å; F46-H48 AromaticContact CZ-CE1 3.55Å; F46-V119 CarbonylContact C-O 3.59Å; F46-V119 WeakPolarHBondContact CA-O 3.41Å; F46-V119 HydrophobicContact CD2-CB 3.87Å; F46-V119 HydrophobicContact CD2-CG1 3.92Å; F46-V119 VanDerWaalsContact CD2-O 3.32Å; F46-V119 WeakPolarHBondContact CD2-O 3.47Å; F46-V119 HydrophobicContact CE2-CB 4.14Å; F46-V119 HydrophobicContact CE2-CG1 3.65Å; F46-V119 HydrophobicContact CZ-CG1 4.4Å; F46-T121 HydrophobicContact CE2-CG2 4.44Å; F46-Y168 AromaticContact CE2-CD2 3.98Å; F46-Y168 HydrophobicContact CE2-CD2 3.98Å; F46-Y168 HydrophobicContact CE2-CG 4.05Å; F46-Y168 AromaticContact CZ-CD2 3.48Å; F46-Y168 HydrophobicContact CZ-CD2 3.48Å; F46-Y168 VanDerWaalsContact CZ-CD2 3.48Å; F46-Y168 HydrophobicContact CZ-CE2 4.18Å; F46-Y168 HydrophobicContact CZ-CG 4.03Å; F46-W214 HydrophobicContact CE1-CZ2 4.42Å; F46-W214 HydrophobicContact CZ-CD2 4.3Å; F46-W214 HydrophobicContact CZ-CE3 4.33Å; F46-W290 AromaticContact CD1-CZ3 3.9Å; F46-W290 HydrophobicContact CD1-CZ3 3.9Å; F46-W290 HydrophobicContact CE1-CZ3 4.18Å; F46-L322 HydrophobicContact CB-CD1 3.91Å; F46-L322 HydrophobicContact CB-CD2 4.35Å; F46-L322 HydrophobicContact CB-CG 3.81Å; F46-L322 HydrophobicContact CD1-CD2 3.46Å; F46-L322 VanDerWaalsContact CD1-CD2 3.46Å; F46-L322 HydrophobicContact CD1-CG 3.67Å; F46-L322 HydrophobicContact CE1-CD2 3.86Å; F46-L322 HydrophobicContact CG-CD1 4.24Å; F46-L322 HydrophobicContact CG-CD2 3.86Å; F46-L322 HydrophobicContact CG-CG 3.87Å; F46-L323 PolarHBondContact N-O 2.96Å; F46-N324 HydrophobicContact CB-CB 3.79Å; F46-N324 CarbonylContact O-C 3.46Å; F46-N324 VanDerWaalsContact O-CA 3.3Å; F46-N324 WeakPolarHBondContact O-CA 3.34Å; F46-V325 PolarHBondContact O-N 3.27Å
47	M	98.8	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	109.7	173.9	-176.6	173.5	-73.7	0	0	111	W49 F106 I110 F118 V119 L120 T121 V325 P327 I333	M47-W49 HydrophobicContact CG-CB 4.18Å; M47-F106 HydrophobicContact CE-CD1 3.67Å; M47-F106 HydrophobicContact CE-CE1 3.89Å; M47-F106 HydrophobicContact SD-CD1 3.94Å; M47-F106 HydrophobicContact SD-CE1 3.91Å; M47-I110 HydrophobicContact CE-CD1 4.47Å; M47-F118 HydrophobicContact CB-CE2 3.72Å; M47-F118 HydrophobicContact CB-CZ 3.82Å; M47-F118 HydrophobicContact CE-CE2 3.89Å; M47-F118 HydrophobicContact CE-CZ 4.11Å; M47-F118 HydrophobicContact CG-CZ 4.47Å; M47-F118 HydrophobicContact SD-CE2 4.19Å; M47-F118 HydrophobicContact SD-CZ 3.86Å; M47-V119 PolarHBondContact N-O 3.44Å; M47-L120 HydrophobicContact CB-CD1 4.09Å; M47-L120 HydrophobicContact CG-CD1 3.96Å; M47-L120 HydrophobicContact SD-CD1 3.99Å; M47-T121 PolarHBondContact O-N 3.01Å; M47-T121 PolarHBondContact O-OG1 2.81Å; M47-T121 VanDerWaalsContact O-OG1 3.13Å; M47-V325 WeakPolarHBondContact CA-O 3.2Å; M47-V325 HydrophobicContact CB-CG2 4.47Å; M47-V325 HydrophobicContact CE-CG2 3.72Å; M47-V325 HydrophobicContact CG-CG2 4.49Å; M47-P327 HydrophobicContact CE-CG 3.92Å; M47-P327 HydrophobicContact CG-CG 3.8Å; M47-P327 HydrophobicContact SD-CG 3.64Å; M47-I333 HydrophobicContact CE-CD1 3.96Å; M47-I333 HydrophobicContact CE-CG1 4.32Å
48	H	98.7	Very high	98.2	Very high	5 Å²	5	9.9 Å²	9.9	2%	0.023	5%	0.049	C	C	.	.			trans	-90.9	107.4	168.3	-73.9	63.6	0	0	0	109.5	F46 V61 T121 H124 W290 N324 V325	F46-H48 AromaticContact CE1-CE1 3.77Å; F46-H48 AromaticContact CE2-CE1 3.69Å; F46-H48 AromaticContact CZ-CE1 3.55Å; H48-V61 HydrophobicContact CB-CG1 3.95Å; H48-T121 HydrophobicContact CB-CG2 4.08Å; H48-T121 VanDerWaalsContact CD2-CG2 3.46Å; H48-T121 WeakPolarHBondContact CD2-CG2 3.3Å; H48-H124 AromaticContact CD2-CD2 3.82Å; H48-W290 HydrophobicContact CB-CB 4.26Å; H48-W290 WeakPolarHBondContact CB-O 3.25Å; H48-W290 AromaticContact CE1-CE3 3.43Å; H48-W290 VanDerWaalsContact CE1-CE3 3.43Å; H48-W290 AromaticContact CE1-CZ3 3.97Å; H48-W290 AromaticContact ND1-CE3 3.66Å; H48-N324 PolarHBondContact N-OD1 3.12Å; H48-N324 VanDerWaalsContact N-OD1 3.09Å; H48-N324 PolarHBondContact ND1-OD1 2.98Å; H48-V325 PolarHBondContact N-O 2.84Å
49	W	98.6	Very high	98	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.057	C	C	.	.			trans	-144.8	130.7	-179.3	-165.8	39.7	0	0	0	110.7	M47 Y52 F96 C98 F101 T121 M130 I150 P327 T328	M47-W49 HydrophobicContact CG-CB 4.18Å; W49-Y52 PolarHBondContact N-OH 3.47Å; W49-F96 AromaticContact CD1-CE2 3.88Å; W49-F96 HydrophobicContact CD2-CE2 4.32Å; W49-F96 AromaticContact CD2-CZ 3.84Å; W49-F96 HydrophobicContact CD2-CZ 3.84Å; W49-F96 AromaticContact CE2-CE2 3.63Å; W49-F96 AromaticContact CE2-CZ 3.48Å; W49-F96 VanDerWaalsContact CE2-CZ 3.48Å; W49-F96 HydrophobicContact CE3-CZ 4.46Å; W49-F96 HydrophobicContact CG-CE2 4.42Å; W49-F96 HydrophobicContact CG-CZ 4.17Å; W49-F96 HydrophobicContact CH2-CZ 4.4Å; W49-F96 HydrophobicContact CZ2-CE2 4.02Å; W49-F96 AromaticContact CZ2-CZ 3.78Å; W49-F96 HydrophobicContact CZ2-CZ 3.78Å; W49-F96 AromaticContact NE1-CE2 3.36Å; W49-F96 AromaticContact NE1-CZ 3.67Å; W49-C98 HydrophobicContact CH2-CB 3.96Å; W49-C98 WeakPolarHBondContact CH2-SG 3.49Å; W49-C98 HydrophobicContact CZ2-CB 4.09Å; W49-C98 WeakPolarHBondContact CZ2-SG 3.14Å; W49-F101 HydrophobicContact CH2-CB 3.94Å; W49-F101 HydrophobicContact CH2-CD1 4.34Å; W49-F101 AromaticContact CH2-CD2 3.73Å; W49-F101 HydrophobicContact CH2-CD2 3.73Å; W49-F101 HydrophobicContact CH2-CE2 4.36Å; W49-F101 AromaticContact CH2-CG 3.73Å; W49-F101 HydrophobicContact CH2-CG 3.73Å; W49-F101 AromaticContact CZ3-CD2 3.86Å; W49-F101 HydrophobicContact CZ3-CD2 3.86Å; W49-F101 HydrophobicContact CZ3-CE2 4.04Å; W49-F101 HydrophobicContact CZ3-CG 4.2Å; W49-T121 PolarHBondContact N-OG1 3.45Å; W49-T121 PolarHBondContact O-OG1 3.17Å; W49-M130 HydrophobicContact CD2-CE 4.07Å; W49-M130 HydrophobicContact CE3-CE 3.65Å; W49-M130 HydrophobicContact CZ3-CE 4.14Å; W49-I150 HydrophobicContact CE3-CG2 4.11Å; W49-I150 HydrophobicContact CZ3-CD1 4.47Å; W49-I150 HydrophobicContact CZ3-CG2 3.61Å; W49-P327 HydrophobicContact CB-CG 4.14Å; W49-P327 HydrophobicContact CD2-CB 4.17Å; W49-P327 HydrophobicContact CD2-CG 4.2Å; W49-P327 HydrophobicContact CG-CB 4.01Å; W49-P327 HydrophobicContact CG-CG 3.9Å; W49-T328 PolarHBondContact NE1-O 3.34Å
50	G	98.3	Very high	97.9	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	177.4	-165.5	-177.8	0	0	0	0	0	111.4	Y52 S53 F96	G50-Y52 PolarHBondContact O-N 3.17Å; G50-Y52 VanDerWaalsContact O-N 3.15Å; G50-S53 VanDerWaalsContact O-CB 3.24Å; G50-S53 WeakPolarHBondContact O-CB 3.19Å; G50-S53 PolarHBondContact O-N 2.8Å; G50-S53 PolarHBondContact O-OG 2.92Å; G50-F96 WeakPolarHBondContact O-CD2 3.33Å; G50-F96 WeakPolarHBondContact O-CE2 3.24Å
51	V	98.5	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.4	-175.2	176.3	0	0	0	0	112.8	S53 V54 P55 Y89 F92 F96 Y128 W139	V51-S53 PolarHBondContact O-N 2.92Å; V51-S53 VanDerWaalsContact O-N 3.15Å; V51-V54 VanDerWaalsContact O-CB 3.29Å; V51-V54 WeakPolarHBondContact O-CB 3.09Å; V51-V54 WeakPolarHBondContact O-CG2 3.43Å; V51-V54 PolarHBondContact O-N 3.05Å; V51-P55 WeakPolarHBondContact O-CD 3.07Å; V51-Y89 HydrophobicContact CB-CE1 4.39Å; V51-Y89 HydrophobicContact CG1-CE1 3.98Å; V51-F92 HydrophobicContact CG1-CB 3.49Å; V51-F92 VanDerWaalsContact CG1-CB 3.49Å; V51-F96 HydrophobicContact CG2-CB 4.32Å; V51-Y128 HydrophobicContact CG2-CD1 3.84Å; V51-Y128 HydrophobicContact CG2-CD2 3.47Å; V51-Y128 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y128 HydrophobicContact CG2-CE1 4.03Å; V51-Y128 HydrophobicContact CG2-CE2 3.7Å; V51-Y128 HydrophobicContact CG2-CG 3.52Å; V51-W139 HydrophobicContact CG1-CH2 4.31Å; V51-W139 HydrophobicContact CG2-CH2 4.43Å
52	Y	98	Very high	97.8	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.008	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-62	-19.2	173.8	48.3	-107.2	0	0	0	113.6	W49 G50 V54 P55 V61 Y89 T121 H124 E126	W49-Y52 PolarHBondContact N-OH 3.47Å; G50-Y52 PolarHBondContact O-N 3.17Å; G50-Y52 VanDerWaalsContact O-N 3.15Å; Y52-V54 PolarHBondContact O-N 3.37Å; Y52-P55 VanDerWaalsContact O-CD 3.28Å; Y52-P55 WeakPolarHBondContact O-CD 3.45Å; Y52-P55 WeakPolarHBondContact O-CG 3.24Å; Y52-V61 HydrophobicContact CD1-CB 4.27Å; Y52-V61 HydrophobicContact CD2-CB 4.17Å; Y52-V61 HydrophobicContact CD2-CG1 3.84Å; Y52-V61 HydrophobicContact CE1-CB 4.26Å; Y52-V61 HydrophobicContact CE1-CG1 4.4Å; Y52-V61 HydrophobicContact CE2-CB 4.18Å; Y52-V61 HydrophobicContact CE2-CG1 3.55Å; Y52-V61 HydrophobicContact CG-CB 4.23Å; Y52-V61 HydrophobicContact CG-CG1 4.4Å; Y52-Y89 WeakPolarHBondContact CA-OH 3.4Å; Y52-Y89 WeakPolarHBondContact CB-OH 3.27Å; Y52-Y89 PolarHBondContact N-OH 3.21Å; Y52-T121 PolarHBondContact OH-OG1 3.46Å; Y52-H124 HydrophobicContact CE1-CB 3.81Å; Y52-H124 AromaticContact CE1-CG 3.87Å; Y52-H124 AromaticContact CE1-ND1 3.77Å; Y52-E126 VanDerWaalsContact CD1-CD 3.42Å; Y52-E126 HydrophobicContact CD1-CG 4.41Å; Y52-E126 VanDerWaalsContact CD1-OE1 3.27Å; Y52-E126 WeakPolarHBondContact CD1-OE1 3.38Å; Y52-E126 WeakPolarHBondContact CD1-OE2 3.42Å; Y52-E126 WeakPolarHBondContact CE1-OE1 3.43Å; Y52-E126 WeakPolarHBondContact CE1-OE2 3.27Å
53	S	98.4	Very high	97.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-70.4	-12.1	172.3	-66	0	0	0	0	112.3	G50 V51 S56 P327 H329	G50-S53 VanDerWaalsContact O-CB 3.24Å; G50-S53 WeakPolarHBondContact O-CB 3.19Å; G50-S53 PolarHBondContact O-N 2.8Å; G50-S53 PolarHBondContact O-OG 2.92Å; V51-S53 PolarHBondContact O-N 2.92Å; V51-S53 VanDerWaalsContact O-N 3.15Å; S53-S56 PolarHBondContact O-OG 3.18Å; S53-P327 PolarHBondContact OG-O 2.87Å; S53-H329 WeakPolarHBondContact O-CB 3.33Å
54	V	98.5	Very high	97.7	Very high	9 Å²	9	13.5 Å²	13.5	6%	0.055	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-57.7	176.6	178.9	0	0	0	0	111.8	V51 Y52 S56 F92 M95 F96 H329	V51-V54 VanDerWaalsContact O-CB 3.29Å; V51-V54 WeakPolarHBondContact O-CB 3.09Å; V51-V54 WeakPolarHBondContact O-CG2 3.43Å; V51-V54 PolarHBondContact O-N 3.05Å; Y52-V54 PolarHBondContact O-N 3.37Å; V54-S56 PolarHBondContact O-N 3.01Å; V54-S56 PolarHBondContact O-OG 3.12Å; V54-F92 HydrophobicContact CB-CB 4.22Å; V54-F92 HydrophobicContact CB-CD1 4.1Å; V54-F92 HydrophobicContact CB-CG 4.41Å; V54-F92 HydrophobicContact CG1-CB 4.28Å; V54-F92 HydrophobicContact CG1-CD1 3.55Å; V54-F92 HydrophobicContact CG1-CE1 4.23Å; V54-F92 HydrophobicContact CG1-CG 4.28Å; V54-M95 HydrophobicContact CG1-CB 3.57Å; V54-M95 HydrophobicContact CG1-CE 3.97Å; V54-M95 HydrophobicContact CG1-SD 4.31Å; V54-M95 HydrophobicContact CG2-CB 4.26Å; V54-F96 HydrophobicContact CG2-CB 3.78Å; V54-F96 HydrophobicContact CG2-CD2 4.21Å; V54-F96 HydrophobicContact CG2-CG 4.49Å; V54-H329 HydrophobicContact CB-CB 4.32Å; V54-H329 HydrophobicContact CG2-CB 3.73Å
55	P	97.6	Very high	97.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.5	175.5	22.7	-33.1	0	0	0	112	V51 Y52 Y57 F63 F78 F92	V51-P55 WeakPolarHBondContact O-CD 3.07Å; Y52-P55 VanDerWaalsContact O-CD 3.28Å; Y52-P55 WeakPolarHBondContact O-CD 3.45Å; Y52-P55 WeakPolarHBondContact O-CG 3.24Å; P55-Y57 VanDerWaalsContact C-N 3.31Å; P55-Y57 PolarHBondContact O-N 3.4Å; P55-F63 HydrophobicContact CB-CD1 3.99Å; P55-F63 HydrophobicContact CB-CD2 4.13Å; P55-F63 HydrophobicContact CB-CE1 3.77Å; P55-F63 HydrophobicContact CB-CE2 3.93Å; P55-F63 HydrophobicContact CB-CG 4.15Å; P55-F63 HydrophobicContact CB-CZ 3.73Å; P55-F63 HydrophobicContact CG-CB 4.29Å; P55-F63 HydrophobicContact CG-CD1 3.6Å; P55-F63 HydrophobicContact CG-CD2 4.16Å; P55-F63 HydrophobicContact CG-CE1 3.89Å; P55-F63 HydrophobicContact CG-CE2 4.42Å; P55-F63 HydrophobicContact CG-CG 3.74Å; P55-F63 HydrophobicContact CG-CZ 4.29Å; P55-F78 HydrophobicContact CB-CE1 4.28Å; P55-F92 HydrophobicContact CB-CE1 4.29Å; P55-F92 HydrophobicContact CB-CE2 4.46Å; P55-F92 HydrophobicContact CB-CZ 3.98Å; P55-F92 HydrophobicContact CG-CE2 4.33Å; P55-F92 HydrophobicContact CG-CZ 4.3Å
56	S	97.6	Very high	97.6	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.042	8%	0.082	C	C	.	.			trans	51.3	45.8	173.8	-65.5	0	0	0	0	112.6	S53 V54 Y292 R293 R294	S53-S56 PolarHBondContact O-OG 3.18Å; V54-S56 PolarHBondContact O-N 3.01Å; V54-S56 PolarHBondContact O-OG 3.12Å; S56-Y292 WeakPolarHBondContact CA-O 3.26Å; S56-Y292 VanDerWaalsContact OG-CD1 3.32Å; S56-Y292 WeakPolarHBondContact OG-CD1 3.35Å; S56-R293 CarbonylContact O-C 3.1Å; S56-R293 WeakPolarHBondContact O-CA 3.49Å; S56-R294 WeakPolarHBondContact O-CG 3.48Å; S56-R294 PolarHBondContact O-N 2.96Å
57	Y	97.7	Very high	97.6	Very high	48 Å²	48	19.6 Å²	19.6	19%	0.188	9%	0.087	C	C	.	.			trans	-140.9	136.9	-167.6	-173.5	-110	0	0	0	112.9	P55 S59 G60 F63 K74 D75 F78 D295	P55-Y57 VanDerWaalsContact C-N 3.31Å; P55-Y57 PolarHBondContact O-N 3.4Å; Y57-S59 PolarHBondContact O-N 3.27Å; Y57-G60 PolarHBondContact O-N 3.03Å; Y57-F63 HydrophobicContact CD1-CE2 4.21Å; Y57-K74 HydrophobicContact CE1-CB 4.34Å; Y57-D75 WeakPolarHBondContact CD1-OD1 3.1Å; Y57-D75 WeakPolarHBondContact CE1-OD1 3.46Å; Y57-F78 HydrophobicContact CD1-CB 3.86Å; Y57-F78 AromaticContact CD1-CD1 3.89Å; Y57-F78 HydrophobicContact CD1-CD1 3.89Å; Y57-F78 HydrophobicContact CD1-CD2 4.09Å; Y57-F78 HydrophobicContact CD1-CE1 4.45Å; Y57-F78 AromaticContact CD1-CG 3.67Å; Y57-F78 HydrophobicContact CD1-CG 3.67Å; Y57-F78 AromaticContact CD2-CD2 3.91Å; Y57-F78 HydrophobicContact CD2-CD2 3.91Å; Y57-F78 AromaticContact CD2-CE2 3.99Å; Y57-F78 HydrophobicContact CD2-CE2 3.99Å; Y57-F78 HydrophobicContact CD2-CG 4.34Å; Y57-F78 HydrophobicContact CD2-CZ 4.46Å; Y57-F78 HydrophobicContact CE1-CB 3.58Å; Y57-F78 HydrophobicContact CE1-CD1 4.48Å; Y57-F78 HydrophobicContact CE1-CD2 4.17Å; Y57-F78 AromaticContact CE1-CG 3.84Å; Y57-F78 HydrophobicContact CE1-CG 3.84Å; Y57-F78 HydrophobicContact CE2-CD2 4Å; Y57-F78 HydrophobicContact CE2-CE2 4.44Å; Y57-F78 HydrophobicContact CE2-CG 4.49Å; Y57-F78 HydrophobicContact CG-CD1 4.06Å; Y57-F78 AromaticContact CG-CD2 3.96Å; Y57-F78 HydrophobicContact CG-CD2 3.96Å; Y57-F78 HydrophobicContact CG-CE1 4.18Å; Y57-F78 HydrophobicContact CG-CE2 4.1Å; Y57-F78 AromaticContact CG-CG 3.94Å; Y57-F78 HydrophobicContact CG-CG 3.94Å; Y57-F78 HydrophobicContact CG-CZ 4.21Å; Y57-D295 HydrophobicContact CD2-CB 4.29Å; Y57-D295 HydrophobicContact CE2-CB 4.27Å
58	H	94.6	Very high	97.5	Very high	55 Å²	55	24.2 Å²	24.2	26%	0.255	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-94.5	161.9	-178.2	-124.3	0	0	0	114.8	G60 D72 K74 D75 D295	H58-G60 PolarHBondContact O-N 3.18Å; H58-G60 VanDerWaalsContact O-N 3.12Å; H58-D72 IonicContact CE1-OD1 2.8Å; H58-D72 IonicContact ND1-OD1 3.81Å; H58-K74 WeakPolarHBondContact NE2-CD 3.37Å; H58-K74 PolarHBondContact NE2-NZ 3.11Å; H58-D75 WeakPolarHBondContact CB-OD1 3.5Å; H58-D75 IonicContact CG-OD1 3.53Å; H58-D75 IonicContact ND1-OD1 3.47Å; H58-D75 PolarHBondContact ND1-OD1 3.06Å; H58-D75 IonicContact ND1-OD2 2.64Å; H58-D295 PolarHBondContact N-OD1 3.1Å; H58-D295 VanDerWaalsContact N-OD1 3.12Å
59	S	93.6	Very high	97.4	Very high	27 Å²	27	27.4 Å²	27.4	19%	0.189	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.2	-178.1	56.5	0	0	0	0	114.3	Y57 V61 W62 F63 S66 D75	Y57-S59 PolarHBondContact O-N 3.27Å; S59-V61 PolarHBondContact O-N 3.24Å; S59-W62 PolarHBondContact O-N 2.91Å; S59-F63 VanDerWaalsContact OG-CA 3.28Å; S59-F63 WeakPolarHBondContact OG-CA 3.46Å; S59-S66 WeakPolarHBondContact OG-CB 3.22Å; S59-D75 VanDerWaalsContact CB-OD2 3.26Å; S59-D75 WeakPolarHBondContact CB-OD2 3.48Å; S59-D75 PolarHBondContact OG-OD2 3.3Å
60	G	96	Very high	97.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	59.3	-118.9	169.4	0	0	0	0	0	111.7	Y57 H58 W62 F63	Y57-G60 PolarHBondContact O-N 3.03Å; H58-G60 PolarHBondContact O-N 3.18Å; H58-G60 VanDerWaalsContact O-N 3.12Å; G60-W62 PolarHBondContact O-N 2.93Å; G60-W62 VanDerWaalsContact O-N 3.12Å; G60-F63 VanDerWaalsContact O-CB 3.28Å; G60-F63 WeakPolarHBondContact O-CB 3.23Å; G60-F63 PolarHBondContact O-N 2.92Å; G60-F63 VanDerWaalsContact O-N 3.09Å
61	V	97.6	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.8	-178.5	-49	0	0	0	0	113.2	H48 Y52 S59 F63 W174 W290 G291	H48-V61 HydrophobicContact CB-CG1 3.95Å; Y52-V61 HydrophobicContact CD1-CB 4.27Å; Y52-V61 HydrophobicContact CD2-CB 4.17Å; Y52-V61 HydrophobicContact CD2-CG1 3.84Å; Y52-V61 HydrophobicContact CE1-CB 4.26Å; Y52-V61 HydrophobicContact CE1-CG1 4.4Å; Y52-V61 HydrophobicContact CE2-CB 4.18Å; Y52-V61 HydrophobicContact CE2-CG1 3.55Å; Y52-V61 HydrophobicContact CG-CB 4.23Å; Y52-V61 HydrophobicContact CG-CG1 4.4Å; S59-V61 PolarHBondContact O-N 3.24Å; V61-F63 VanDerWaalsContact C-N 3.34Å; V61-W174 VanDerWaalsContact O-CH2 3.3Å; V61-W174 WeakPolarHBondContact O-CH2 3.44Å; V61-W290 HydrophobicContact CG1-CB 3.8Å; V61-W290 HydrophobicContact CG2-CB 4.07Å; V61-G291 VanDerWaalsContact CG1-CA 3.5Å
62	W	97.5	Very high	97.3	Very high	88 Å²	88	39.7 Å²	39.7	33%	0.333	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-88.9	6.9	178.4	-78.1	80.1	0	0	0	114.2	S59 G60 W64 Y65 S66 H125 W174 W219	S59-W62 PolarHBondContact O-N 2.91Å; G60-W62 PolarHBondContact O-N 2.93Å; G60-W62 VanDerWaalsContact O-N 3.12Å; W62-W64 VanDerWaalsContact C-N 3.33Å; W62-W64 PolarHBondContact O-N 2.67Å; W62-Y65 AromaticContact CE3-CD1 3.88Å; W62-Y65 HydrophobicContact CE3-CD1 3.88Å; W62-Y65 AromaticContact CE3-CG 3.95Å; W62-Y65 HydrophobicContact CE3-CG 3.95Å; W62-Y65 HydrophobicContact CZ3-CD1 4.03Å; W62-Y65 HydrophobicContact CZ3-CD2 4.49Å; W62-Y65 HydrophobicContact CZ3-CE1 4.45Å; W62-Y65 HydrophobicContact CZ3-CG 4.06Å; W62-Y65 PolarHBondContact O-N 2.88Å; W62-S66 WeakPolarHBondContact O-CB 3.29Å; W62-S66 PolarHBondContact O-N 2.89Å; W62-H125 AromaticContact CZ2-CD2 3.95Å; W62-H125 AromaticContact CZ2-NE2 4Å; W62-W174 HydrophobicContact CD2-CH2 4.39Å; W62-W174 AromaticContact CD2-CZ2 3.79Å; W62-W174 HydrophobicContact CD2-CZ2 3.79Å; W62-W174 HydrophobicContact CE3-CH2 4.47Å; W62-W174 AromaticContact CE3-CZ2 3.57Å; W62-W174 HydrophobicContact CE3-CZ2 3.57Å; W62-W174 HydrophobicContact CG-CH2 4.49Å; W62-W174 HydrophobicContact CG-CZ2 4.34Å; W62-W174 HydrophobicContact CH2-CZ2 4.43Å; W62-W174 AromaticContact CZ3-CZ2 3.92Å; W62-W174 HydrophobicContact CZ3-CZ2 3.92Å; W62-W174 AromaticContact CZ3-NE1 3.99Å; W62-W219 HydrophobicContact CH2-CH2 4.29Å; W62-W219 AromaticContact CH2-CZ2 3.79Å; W62-W219 HydrophobicContact CH2-CZ2 3.79Å; W62-W219 HydrophobicContact CZ2-CH2 4.09Å; W62-W219 HydrophobicContact CZ2-CZ2 4.06Å
63	F	97.9	Very high	97.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-51.9	-45.2	-171.5	-169.8	-94.5	0	0	0	114.3	P55 Y57 S59 G60 V61 Y65 S66 W67 D75 F78 M79 Y89 F92	P55-F63 HydrophobicContact CB-CD1 3.99Å; P55-F63 HydrophobicContact CB-CD2 4.13Å; P55-F63 HydrophobicContact CB-CE1 3.77Å; P55-F63 HydrophobicContact CB-CE2 3.93Å; P55-F63 HydrophobicContact CB-CG 4.15Å; P55-F63 HydrophobicContact CB-CZ 3.73Å; P55-F63 HydrophobicContact CG-CB 4.29Å; P55-F63 HydrophobicContact CG-CD1 3.6Å; P55-F63 HydrophobicContact CG-CD2 4.16Å; P55-F63 HydrophobicContact CG-CE1 3.89Å; P55-F63 HydrophobicContact CG-CE2 4.42Å; P55-F63 HydrophobicContact CG-CG 3.74Å; P55-F63 HydrophobicContact CG-CZ 4.29Å; Y57-F63 HydrophobicContact CD1-CE2 4.21Å; S59-F63 VanDerWaalsContact OG-CA 3.28Å; S59-F63 WeakPolarHBondContact OG-CA 3.46Å; G60-F63 VanDerWaalsContact O-CB 3.28Å; G60-F63 WeakPolarHBondContact O-CB 3.23Å; G60-F63 PolarHBondContact O-N 2.92Å; G60-F63 VanDerWaalsContact O-N 3.09Å; V61-F63 VanDerWaalsContact C-N 3.34Å; F63-Y65 PolarHBondContact O-N 3.42Å; F63-S66 PolarHBondContact O-N 3.33Å; F63-W67 HydrophobicContact CD1-CE3 4.45Å; F63-W67 HydrophobicContact CE1-CB 4.42Å; F63-W67 HydrophobicContact CE1-CD2 4.41Å; F63-W67 AromaticContact CE1-CE3 3.95Å; F63-W67 HydrophobicContact CE1-CE3 3.95Å; F63-W67 WeakPolarHBondContact O-CB 3.47Å; F63-W67 PolarHBondContact O-N 3.27Å; F63-D75 HydrophobicContact CE2-CB 4.13Å; F63-F78 HydrophobicContact CE2-CD1 4.13Å; F63-F78 HydrophobicContact CE2-CE1 4.48Å; F63-F78 HydrophobicContact CZ-CD1 4.04Å; F63-F78 HydrophobicContact CZ-CE1 4.36Å; F63-M79 HydrophobicContact CE1-CG 4.14Å; F63-M79 HydrophobicContact CE1-SD 3.73Å; F63-M79 HydrophobicContact CZ-CG 3.74Å; F63-M79 HydrophobicContact CZ-SD 3.52Å; F63-M79 VanDerWaalsContact CZ-SD 3.52Å; F63-Y89 HydrophobicContact CD1-CD2 4.34Å; F63-Y89 HydrophobicContact CD1-CE2 4.13Å; F63-F92 HydrophobicContact CD1-CE2 4.38Å; F63-F92 AromaticContact CE1-CE2 3.91Å; F63-F92 HydrophobicContact CE1-CE2 3.91Å; F63-F92 HydrophobicContact CE1-CZ 4.18Å
64	W	97.8	Very high	97.2	Very high	36 Å²	36	49.5 Å²	49.5	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-50.4	178.2	-177.8	98.3	0	0	0	111.8	W62 W67 K68 T69 Y89 W174 F175	W62-W64 VanDerWaalsContact C-N 3.33Å; W62-W64 PolarHBondContact O-N 2.67Å; W64-W67 PolarHBondContact O-N 3.33Å; W64-K68 HydrophobicContact CD2-CB 4.25Å; W64-K68 HydrophobicContact CD2-CG 4.26Å; W64-K68 HydrophobicContact CG-CG 4.37Å; W64-K68 HydrophobicContact CH2-CB 4.35Å; W64-K68 HydrophobicContact CZ2-CB 4.04Å; W64-K68 HydrophobicContact CZ2-CG 4.36Å; W64-K68 VanDerWaalsContact O-CB 3.25Å; W64-K68 WeakPolarHBondContact O-CB 3.46Å; W64-K68 WeakPolarHBondContact O-CG 3.21Å; W64-K68 PolarHBondContact O-N 2.94Å; W64-T69 WeakPolarHBondContact CZ3-OG1 2.97Å; W64-Y89 HydrophobicContact CB-CD2 3.87Å; W64-Y89 HydrophobicContact CB-CE1 4.44Å; W64-Y89 HydrophobicContact CB-CE2 3.77Å; W64-Y89 HydrophobicContact CB-CG 4.27Å; W64-Y89 VanDerWaalsContact CD1-CB 3.41Å; W64-Y89 AromaticContact CD1-CD1 3.72Å; W64-Y89 AromaticContact CD1-CD2 3.78Å; W64-Y89 AromaticContact CD1-CG 3.39Å; W64-Y89 HydrophobicContact CG-CD1 4.5Å; W64-Y89 HydrophobicContact CG-CD2 4.26Å; W64-Y89 HydrophobicContact CG-CG 4.23Å; W64-W174 HydrophobicContact CB-CE3 3.82Å; W64-W174 HydrophobicContact CB-CZ3 3.91Å; W64-W174 HydrophobicContact CD2-CB 4.27Å; W64-W174 HydrophobicContact CD2-CE3 4.24Å; W64-W174 HydrophobicContact CE3-CB 3.47Å; W64-W174 VanDerWaalsContact CE3-CB 3.47Å; W64-W174 AromaticContact CE3-CD2 3.81Å; W64-W174 HydrophobicContact CE3-CD2 3.81Å; W64-W174 AromaticContact CE3-CE3 3.85Å; W64-W174 HydrophobicContact CE3-CE3 3.85Å; W64-W174 AromaticContact CE3-CG 3.67Å; W64-W174 HydrophobicContact CE3-CG 3.67Å; W64-W174 HydrophobicContact CG-CE3 4.23Å; W64-W174 HydrophobicContact CH2-CB 4.07Å; W64-W174 HydrophobicContact CZ3-CB 3.39Å; W64-W174 HydrophobicContact CZ3-CD2 4.44Å; W64-W174 AromaticContact CZ3-CG 3.84Å; W64-W174 HydrophobicContact CZ3-CG 3.84Å; W64-F175 AromaticContact CD1-CD1 3.68Å; W64-F175 AromaticContact CD1-CE1 3.45Å; W64-F175 VanDerWaalsContact CD1-CE1 3.45Å; W64-F175 AromaticContact CD2-CD1 3.55Å; W64-F175 HydrophobicContact CD2-CD1 3.55Å; W64-F175 AromaticContact CD2-CE1 3.91Å; W64-F175 HydrophobicContact CD2-CE1 3.91Å; W64-F175 AromaticContact CE2-CD1 3.21Å; W64-F175 AromaticContact CE2-CE1 3.85Å; W64-F175 AromaticContact CE2-CG 3.94Å; W64-F175 HydrophobicContact CE3-CD1 4.13Å; W64-F175 AromaticContact CG-CD1 3.9Å; W64-F175 HydrophobicContact CG-CD1 3.9Å; W64-F175 AromaticContact CG-CE1 3.74Å; W64-F175 HydrophobicContact CG-CE1 3.74Å; W64-F175 HydrophobicContact CH2-CB 4.04Å; W64-F175 HydrophobicContact CH2-CD1 4.21Å; W64-F175 HydrophobicContact CZ2-CB 3.57Å; W64-F175 AromaticContact CZ2-CD1 3.6Å; W64-F175 HydrophobicContact CZ2-CD1 3.6Å; W64-F175 AromaticContact CZ2-CG 3.94Å; W64-F175 HydrophobicContact CZ2-CG 3.94Å; W64-F175 HydrophobicContact CZ3-CD1 4.46Å; W64-F175 AromaticContact NE1-CD1 3.26Å; W64-F175 VanDerWaalsContact NE1-CD1 3.26Å; W64-F175 AromaticContact NE1-CE1 3.51Å; W64-F175 AromaticContact NE1-CG 3.95Å
65	Y	97.5	Very high	97.2	Very high	87 Å²	87	49.1 Å²	49.1	34%	0.341	24%	0.244	S	C	.	.	H	α-helix	trans	-66.3	-44.3	-176.8	-177.8	-88.7	0	0	0	110.9	W62 F63 W67 T69 A70 W174	W62-Y65 AromaticContact CE3-CD1 3.88Å; W62-Y65 HydrophobicContact CE3-CD1 3.88Å; W62-Y65 AromaticContact CE3-CG 3.95Å; W62-Y65 HydrophobicContact CE3-CG 3.95Å; W62-Y65 HydrophobicContact CZ3-CD1 4.03Å; W62-Y65 HydrophobicContact CZ3-CD2 4.49Å; W62-Y65 HydrophobicContact CZ3-CE1 4.45Å; W62-Y65 HydrophobicContact CZ3-CG 4.06Å; W62-Y65 PolarHBondContact O-N 2.88Å; F63-Y65 PolarHBondContact O-N 3.42Å; Y65-W67 PolarHBondContact O-N 2.86Å; Y65-T69 HydrophobicContact CD2-CG2 4.03Å; Y65-T69 HydrophobicContact CE2-CG2 3.49Å; Y65-T69 VanDerWaalsContact CE2-CG2 3.49Å; Y65-T69 CarbonylContact O-C 3.51Å; Y65-T69 WeakPolarHBondContact O-CA 3.4Å; Y65-T69 WeakPolarHBondContact O-CB 3.4Å; Y65-T69 PolarHBondContact O-N 2.87Å; Y65-A70 HydrophobicContact CD1-CB 4.2Å; Y65-A70 HydrophobicContact CE1-CB 3.98Å; Y65-A70 PolarHBondContact O-N 2.88Å; Y65-W174 AromaticContact CD2-CD1 3.72Å; Y65-W174 HydrophobicContact CD2-CG 4.49Å; Y65-W174 AromaticContact CD2-NE1 3.6Å; Y65-W174 AromaticContact CG-NE1 4Å
66	S	97.9	Very high	97.2	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.098	25%	0.254	C	S	.	.	I	π-helix	trans	-59.9	-46.2	178.7	-170.1	0	0	0	0	111.7	S59 W62 F63 K71 D72 D75	S59-S66 WeakPolarHBondContact OG-CB 3.22Å; W62-S66 WeakPolarHBondContact O-CB 3.29Å; W62-S66 PolarHBondContact O-N 2.89Å; F63-S66 PolarHBondContact O-N 3.33Å; S66-K71 CarbonylContact O-C 3.58Å; S66-K71 VanDerWaalsContact O-CA 3.31Å; S66-K71 WeakPolarHBondContact O-CA 3.46Å; S66-K71 PolarHBondContact O-N 3.1Å; S66-D72 PolarHBondContact O-N 2.84Å; S66-D72 WeakPolarHBondContact OG-CB 3.47Å; S66-D75 WeakPolarHBondContact CB-OD2 3.26Å; S66-D75 PolarHBondContact OG-OD2 2.97Å
67	W	97.8	Very high	97.2	Very high	29 Å²	29	55.7 Å²	55.7	11%	0.11	28%	0.276	C	S	.	.	I	π-helix	trans	-72.3	-47.4	178.5	173.5	36.3	0	0	0	113.7	F63 W64 Y65 D75 M79 F87 Y89 F92	F63-W67 HydrophobicContact CD1-CE3 4.45Å; F63-W67 HydrophobicContact CE1-CB 4.42Å; F63-W67 HydrophobicContact CE1-CD2 4.41Å; F63-W67 AromaticContact CE1-CE3 3.95Å; F63-W67 HydrophobicContact CE1-CE3 3.95Å; F63-W67 WeakPolarHBondContact O-CB 3.47Å; F63-W67 PolarHBondContact O-N 3.27Å; W64-W67 PolarHBondContact O-N 3.33Å; Y65-W67 PolarHBondContact O-N 2.86Å; W67-D75 HydrophobicContact CB-CB 4.36Å; W67-M79 HydrophobicContact CD2-CG 3.78Å; W67-M79 HydrophobicContact CE3-CG 4.34Å; W67-M79 HydrophobicContact CG-CG 4.02Å; W67-M79 HydrophobicContact CH2-CE 3.59Å; W67-M79 HydrophobicContact CZ2-CB 4.27Å; W67-M79 HydrophobicContact CZ2-CE 3.74Å; W67-M79 HydrophobicContact CZ2-CG 4.05Å; W67-M79 HydrophobicContact CZ3-CE 4Å; W67-F87 HydrophobicContact CH2-CD1 4.37Å; W67-F87 VanDerWaalsContact CH2-O 3.28Å; W67-F87 WeakPolarHBondContact CH2-O 3.32Å; W67-Y89 HydrophobicContact CZ3-CD2 4.46Å; W67-F92 HydrophobicContact CZ3-CE2 4.14Å
68	K	97.1	Very high	97.2	Very high	97 Å²	97	54.2 Å²	54.2	42%	0.422	27%	0.271	S	S	.	.	I	π-helix	trans	-93	-37.2	-167.8	-59.5	-60.9	-64.1	-175.8	0	113.9	W64	W64-K68 HydrophobicContact CD2-CB 4.25Å; W64-K68 HydrophobicContact CD2-CG 4.26Å; W64-K68 HydrophobicContact CG-CG 4.37Å; W64-K68 HydrophobicContact CH2-CB 4.35Å; W64-K68 HydrophobicContact CZ2-CB 4.04Å; W64-K68 HydrophobicContact CZ2-CG 4.36Å; W64-K68 VanDerWaalsContact O-CB 3.25Å; W64-K68 WeakPolarHBondContact O-CB 3.46Å; W64-K68 WeakPolarHBondContact O-CG 3.21Å; W64-K68 PolarHBondContact O-N 2.94Å
69	T	96.1	Very high	97.4	Very high	71 Å²	71	52 Å²	52	44%	0.436	26%	0.26	S	S	.	.	I	π-helix	trans	-102.9	-57.5	-173.7	-60.8	0	0	0	0	111.6	W64 Y65 K71	W64-T69 WeakPolarHBondContact CZ3-OG1 2.97Å; Y65-T69 HydrophobicContact CD2-CG2 4.03Å; Y65-T69 HydrophobicContact CE2-CG2 3.49Å; Y65-T69 VanDerWaalsContact CE2-CG2 3.49Å; Y65-T69 CarbonylContact O-C 3.51Å; Y65-T69 WeakPolarHBondContact O-CA 3.4Å; Y65-T69 WeakPolarHBondContact O-CB 3.4Å; Y65-T69 PolarHBondContact O-N 2.87Å; T69-K71 VanDerWaalsContact C-N 3.29Å; T69-K71 PolarHBondContact O-N 2.82Å
70	A	97.6	Very high	97.5	Very high	61 Å²	61	57.3 Å²	57.3	50%	0.504	28%	0.282	S	S	.	.	I	π-helix	trans	-72.3	-26.4	179.7	0	0	0	0	0	112.4	Y65 D72	Y65-A70 HydrophobicContact CD1-CB 4.2Å; Y65-A70 HydrophobicContact CE1-CB 3.98Å; Y65-A70 PolarHBondContact O-N 2.88Å; A70-D72 VanDerWaalsContact C-N 3.32Å; A70-D72 PolarHBondContact O-N 3.16Å
71	K	97.5	Very high	97.6	Very high	149 Å²	149	62.6 Å²	62.6	65%	0.648	31%	0.311	S	S	*	.			trans	53.8	47.5	-175.2	-57.7	-178.9	-178.7	179.8	0	111.8	S66 T69 V76	S66-K71 CarbonylContact O-C 3.58Å; S66-K71 VanDerWaalsContact O-CA 3.31Å; S66-K71 WeakPolarHBondContact O-CA 3.46Å; S66-K71 PolarHBondContact O-N 3.1Å; T69-K71 VanDerWaalsContact C-N 3.29Å; T69-K71 PolarHBondContact O-N 2.82Å; K71-V76 HydrophobicContact CB-CG2 4.29Å
72	D	98.1	Very high	97.6	Very high	50 Å²	50	66.8 Å²	66.8	27%	0.267	33%	0.333	S	S	.	.			trans	-55.9	128	175.6	-176.9	-85.2	0	0	0	110	H58 S66 A70 K74 D75 V76	H58-D72 IonicContact CE1-OD1 2.8Å; H58-D72 IonicContact ND1-OD1 3.81Å; S66-D72 PolarHBondContact O-N 2.84Å; S66-D72 WeakPolarHBondContact OG-CB 3.47Å; A70-D72 VanDerWaalsContact C-N 3.32Å; A70-D72 PolarHBondContact O-N 3.16Å; D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 3.03Å; D72-K74 WeakPolarHBondContact OD1-CB 3.43Å; D72-K74 PolarHBondContact OD1-N 2.82Å; D72-D75 PolarHBondContact O-N 2.87Å; D72-V76 WeakPolarHBondContact O-CB 3.4Å; D72-V76 VanDerWaalsContact O-CG2 3.29Å; D72-V76 WeakPolarHBondContact O-CG2 3.2Å; D72-V76 PolarHBondContact O-N 2.81Å
73	P	98.2	Very high	97.6	Very high	98 Å²	98	64.9 Å²	64.9	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-56.1	-37.1	-174.9	-28.7	35.6	0	0	0	114.1	E77	P73-E77 WeakPolarHBondContact O-CB 3.47Å; P73-E77 PolarHBondContact O-N 3.13Å
74	K	97.5	Very high	97.5	Very high	111 Å²	111	71.8 Å²	71.8	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-44.5	-177.3	-65.7	177.6	-179.6	175.5	0	111.4	Y57 H58 D72 F78	Y57-K74 HydrophobicContact CE1-CB 4.34Å; H58-K74 WeakPolarHBondContact NE2-CD 3.37Å; H58-K74 PolarHBondContact NE2-NZ 3.11Å; D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 3.03Å; D72-K74 WeakPolarHBondContact OD1-CB 3.43Å; D72-K74 PolarHBondContact OD1-N 2.82Å; K74-F78 WeakPolarHBondContact O-CB 3.39Å; K74-F78 PolarHBondContact O-N 2.83Å
75	D	97.6	Very high	97.4	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-71.1	-36.6	-179.7	-65	-17.7	0	0	0	111.2	Y57 H58 S59 F63 S66 W67 D72 M79	Y57-D75 WeakPolarHBondContact CD1-OD1 3.1Å; Y57-D75 WeakPolarHBondContact CE1-OD1 3.46Å; H58-D75 WeakPolarHBondContact CB-OD1 3.5Å; H58-D75 IonicContact CG-OD1 3.53Å; H58-D75 IonicContact ND1-OD1 3.47Å; H58-D75 PolarHBondContact ND1-OD1 3.06Å; H58-D75 IonicContact ND1-OD2 2.64Å; S59-D75 VanDerWaalsContact CB-OD2 3.26Å; S59-D75 WeakPolarHBondContact CB-OD2 3.48Å; S59-D75 PolarHBondContact OG-OD2 3.3Å; F63-D75 HydrophobicContact CE2-CB 4.13Å; S66-D75 WeakPolarHBondContact CB-OD2 3.26Å; S66-D75 PolarHBondContact OG-OD2 2.97Å; W67-D75 HydrophobicContact CB-CB 4.36Å; D72-D75 PolarHBondContact O-N 2.87Å; D75-M79 WeakPolarHBondContact O-CB 3.37Å; D75-M79 VanDerWaalsContact O-CG 3.29Å; D75-M79 WeakPolarHBondContact O-CG 3.28Å; D75-M79 PolarHBondContact O-N 3.23Å
76	V	98	Very high	97.3	Very high	36 Å²	36	75.7 Å²	75.7	22%	0.218	41%	0.41	C	S	.	.	H	α-helix	trans	-64.2	-48.6	174	172.4	0	0	0	0	111.1	K71 D72 M79 Q80	K71-V76 HydrophobicContact CB-CG2 4.29Å; D72-V76 WeakPolarHBondContact O-CB 3.4Å; D72-V76 VanDerWaalsContact O-CG2 3.29Å; D72-V76 WeakPolarHBondContact O-CG2 3.2Å; D72-V76 PolarHBondContact O-N 2.81Å; V76-M79 PolarHBondContact O-N 2.94Å; V76-Q80 WeakPolarHBondContact O-CG 3.24Å; V76-Q80 PolarHBondContact O-N 3.09Å
77	E	97.9	Very high	97.3	Very high	110 Å²	110	76.5 Å²	76.5	51%	0.514	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-43.3	177.9	178.8	177	-170.8	0	0	111.3	P73 M79 Q80 N81	P73-E77 WeakPolarHBondContact O-CB 3.47Å; P73-E77 PolarHBondContact O-N 3.13Å; E77-M79 VanDerWaalsContact C-N 3.28Å; E77-M79 PolarHBondContact O-N 3.42Å; E77-Q80 PolarHBondContact O-N 2.92Å; E77-Q80 VanDerWaalsContact O-N 3.17Å; E77-N81 VanDerWaalsContact CG-ND2 3.3Å; E77-N81 WeakPolarHBondContact CG-ND2 3.09Å; E77-N81 WeakPolarHBondContact O-CB 2.93Å; E77-N81 VanDerWaalsContact O-CG 3.31Å; E77-N81 PolarHBondContact O-N 3.04Å; E77-N81 PolarHBondContact O-ND2 2.74Å
78	F	97.6	Very high	97.3	Very high	16 Å²	16	78.1 Å²	78.1	7%	0.07	43%	0.425	C	S	.	.	H	α-helix	trans	-55.8	-45.5	174.7	176.3	-101.6	0	0	0	111.2	P55 Y57 F63 K74 N81 N82 Y83	P55-F78 HydrophobicContact CB-CE1 4.28Å; Y57-F78 HydrophobicContact CD1-CB 3.86Å; Y57-F78 AromaticContact CD1-CD1 3.89Å; Y57-F78 HydrophobicContact CD1-CD1 3.89Å; Y57-F78 HydrophobicContact CD1-CD2 4.09Å; Y57-F78 HydrophobicContact CD1-CE1 4.45Å; Y57-F78 AromaticContact CD1-CG 3.67Å; Y57-F78 HydrophobicContact CD1-CG 3.67Å; Y57-F78 AromaticContact CD2-CD2 3.91Å; Y57-F78 HydrophobicContact CD2-CD2 3.91Å; Y57-F78 AromaticContact CD2-CE2 3.99Å; Y57-F78 HydrophobicContact CD2-CE2 3.99Å; Y57-F78 HydrophobicContact CD2-CG 4.34Å; Y57-F78 HydrophobicContact CD2-CZ 4.46Å; Y57-F78 HydrophobicContact CE1-CB 3.58Å; Y57-F78 HydrophobicContact CE1-CD1 4.48Å; Y57-F78 HydrophobicContact CE1-CD2 4.17Å; Y57-F78 AromaticContact CE1-CG 3.84Å; Y57-F78 HydrophobicContact CE1-CG 3.84Å; Y57-F78 HydrophobicContact CE2-CD2 4Å; Y57-F78 HydrophobicContact CE2-CE2 4.44Å; Y57-F78 HydrophobicContact CE2-CG 4.49Å; Y57-F78 HydrophobicContact CG-CD1 4.06Å; Y57-F78 AromaticContact CG-CD2 3.96Å; Y57-F78 HydrophobicContact CG-CD2 3.96Å; Y57-F78 HydrophobicContact CG-CE1 4.18Å; Y57-F78 HydrophobicContact CG-CE2 4.1Å; Y57-F78 AromaticContact CG-CG 3.94Å; Y57-F78 HydrophobicContact CG-CG 3.94Å; Y57-F78 HydrophobicContact CG-CZ 4.21Å; F63-F78 HydrophobicContact CE2-CD1 4.13Å; F63-F78 HydrophobicContact CE2-CE1 4.48Å; F63-F78 HydrophobicContact CZ-CD1 4.04Å; F63-F78 HydrophobicContact CZ-CE1 4.36Å; K74-F78 WeakPolarHBondContact O-CB 3.39Å; K74-F78 PolarHBondContact O-N 2.83Å; F78-N81 PolarHBondContact O-N 2.87Å; F78-N82 WeakPolarHBondContact CD2-ND2 3.31Å; F78-N82 WeakPolarHBondContact O-CB 3.42Å; F78-N82 PolarHBondContact O-N 3.12Å; F78-N82 VanDerWaalsContact O-N 3.1Å; F78-N82 PolarHBondContact O-ND2 3.33Å; F78-Y83 HydrophobicContact CD1-CE2 4.32Å; F78-Y83 AromaticContact CE1-CE2 3.74Å; F78-Y83 HydrophobicContact CE1-CE2 3.74Å; F78-Y83 HydrophobicContact CZ-CE2 4.25Å
79	M	98	Very high	97.3	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.039	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-42	177	-72.6	-55.5	-60.4	0	0	112.8	F63 W67 D75 V76 E77 N81 Y83 F87 F92	F63-M79 HydrophobicContact CE1-CG 4.14Å; F63-M79 HydrophobicContact CE1-SD 3.73Å; F63-M79 HydrophobicContact CZ-CG 3.74Å; F63-M79 HydrophobicContact CZ-SD 3.52Å; F63-M79 VanDerWaalsContact CZ-SD 3.52Å; W67-M79 HydrophobicContact CD2-CG 3.78Å; W67-M79 HydrophobicContact CE3-CG 4.34Å; W67-M79 HydrophobicContact CG-CG 4.02Å; W67-M79 HydrophobicContact CH2-CE 3.59Å; W67-M79 HydrophobicContact CZ2-CB 4.27Å; W67-M79 HydrophobicContact CZ2-CE 3.74Å; W67-M79 HydrophobicContact CZ2-CG 4.05Å; W67-M79 HydrophobicContact CZ3-CE 4Å; D75-M79 WeakPolarHBondContact O-CB 3.37Å; D75-M79 VanDerWaalsContact O-CG 3.29Å; D75-M79 WeakPolarHBondContact O-CG 3.28Å; D75-M79 PolarHBondContact O-N 3.23Å; V76-M79 PolarHBondContact O-N 2.94Å; E77-M79 VanDerWaalsContact C-N 3.28Å; E77-M79 PolarHBondContact O-N 3.42Å; M79-N81 PolarHBondContact O-N 2.84Å; M79-Y83 HydrophobicContact CE-CD1 4.26Å; M79-Y83 HydrophobicContact CE-CD2 3.45Å; M79-Y83 VanDerWaalsContact CE-CD2 3.45Å; M79-Y83 HydrophobicContact CE-CE2 4.04Å; M79-Y83 HydrophobicContact CE-CG 3.56Å; M79-Y83 PolarHBondContact O-N 3.13Å; M79-Y83 VanDerWaalsContact O-N 3.08Å; M79-Y83 HydrophobicContact SD-CD2 3.44Å; M79-Y83 WeakPolarHBondContact SD-CD2 3.29Å; M79-Y83 HydrophobicContact SD-CE2 3.58Å; M79-Y83 VanDerWaalsContact SD-CE2 3.58Å; M79-Y83 HydrophobicContact SD-CG 4.19Å; M79-F87 HydrophobicContact CE-CB 4.45Å; M79-F87 HydrophobicContact CE-CD1 3.59Å; M79-F87 HydrophobicContact CE-CE1 4.21Å; M79-F87 HydrophobicContact CE-CG 4.29Å; M79-F92 HydrophobicContact CE-CE2 4.15Å; M79-F92 HydrophobicContact CE-CZ 3.67Å; M79-F92 HydrophobicContact SD-CE2 4.32Å; M79-F92 HydrophobicContact SD-CZ 3.73Å
80	Q	97.4	Very high	97.3	Very high	139 Å²	139	73 Å²	73	65%	0.65	41%	0.406	S	S	*	.	H	α-helix	trans	-63.8	-38.9	177.5	-73.2	172.7	-8.7	0	0	112.8	V76 E77	V76-Q80 WeakPolarHBondContact O-CG 3.24Å; V76-Q80 PolarHBondContact O-N 3.09Å; E77-Q80 PolarHBondContact O-N 2.92Å; E77-Q80 VanDerWaalsContact O-N 3.17Å
81	N	97.6	Very high	97.3	Very high	113 Å²	113	73.1 Å²	73.1	60%	0.604	40%	0.399	S	S	*	.	H	α-helix	trans	-81.6	-25.4	-175.1	-71.5	-17.8	0	0	0	113.5	E77 F78 M79	E77-N81 VanDerWaalsContact CG-ND2 3.3Å; E77-N81 WeakPolarHBondContact CG-ND2 3.09Å; E77-N81 WeakPolarHBondContact O-CB 2.93Å; E77-N81 VanDerWaalsContact O-CG 3.31Å; E77-N81 PolarHBondContact O-N 3.04Å; E77-N81 PolarHBondContact O-ND2 2.74Å; F78-N81 PolarHBondContact O-N 2.87Å; M79-N81 PolarHBondContact O-N 2.84Å
82	N	97.5	Very high	97.4	Very high	90 Å²	90	66 Å²	66	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-116.7	-13.2	-169.6	-62.5	-87.6	0	0	0	114.5	F78	F78-N82 WeakPolarHBondContact CD2-ND2 3.31Å; F78-N82 WeakPolarHBondContact O-CB 3.42Å; F78-N82 PolarHBondContact O-N 3.12Å; F78-N82 VanDerWaalsContact O-N 3.1Å; F78-N82 PolarHBondContact O-ND2 3.33Å
83	Y	97	Very high	97.4	Very high	47 Å²	47	63.7 Å²	63.7	18%	0.184	36%	0.355	C	S	.	.	S	Bend	trans	-128.9	150.8	-177	-60.1	-92.2	0	0	0	111.8	F78 M79 F87 F92 M95	F78-Y83 HydrophobicContact CD1-CE2 4.32Å; F78-Y83 AromaticContact CE1-CE2 3.74Å; F78-Y83 HydrophobicContact CE1-CE2 3.74Å; F78-Y83 HydrophobicContact CZ-CE2 4.25Å; M79-Y83 HydrophobicContact CE-CD1 4.26Å; M79-Y83 HydrophobicContact CE-CD2 3.45Å; M79-Y83 VanDerWaalsContact CE-CD2 3.45Å; M79-Y83 HydrophobicContact CE-CE2 4.04Å; M79-Y83 HydrophobicContact CE-CG 3.56Å; M79-Y83 PolarHBondContact O-N 3.13Å; M79-Y83 VanDerWaalsContact O-N 3.08Å; M79-Y83 HydrophobicContact SD-CD2 3.44Å; M79-Y83 WeakPolarHBondContact SD-CD2 3.29Å; M79-Y83 HydrophobicContact SD-CE2 3.58Å; M79-Y83 VanDerWaalsContact SD-CE2 3.58Å; M79-Y83 HydrophobicContact SD-CG 4.19Å; Y83-F87 HydrophobicContact CD1-CD1 4.18Å; Y83-F87 HydrophobicContact CD1-CD2 4.01Å; Y83-F87 HydrophobicContact CD1-CE1 4.01Å; Y83-F87 AromaticContact CD1-CE2 3.83Å; Y83-F87 HydrophobicContact CD1-CE2 3.83Å; Y83-F87 HydrophobicContact CD1-CG 4.19Å; Y83-F87 AromaticContact CD1-CZ 3.83Å; Y83-F87 HydrophobicContact CD1-CZ 3.83Å; Y83-F87 HydrophobicContact CE1-CE1 4.39Å; Y83-F87 HydrophobicContact CE1-CZ 4.16Å; Y83-F87 HydrophobicContact CG-CD1 4.42Å; Y83-F87 HydrophobicContact CG-CG 4.37Å; Y83-F92 HydrophobicContact CD1-CE1 4.2Å; Y83-F92 HydrophobicContact CE1-CD1 4.43Å; Y83-F92 AromaticContact CE1-CE1 3.45Å; Y83-F92 HydrophobicContact CE1-CE1 3.45Å; Y83-F92 VanDerWaalsContact CE1-CE1 3.45Å; Y83-F92 HydrophobicContact CE1-CZ 4.1Å; Y83-F92 HydrophobicContact CE2-CE1 4.36Å; Y83-F92 HydrophobicContact CE2-CZ 4.33Å; Y83-F92 AromaticContact CZ-CE1 3.54Å; Y83-F92 AromaticContact CZ-CZ 3.95Å; Y83-M95 HydrophobicContact CE1-CE 4.48Å
84	K	96.3	Very high	97.3	Very high	145 Å²	145	62.7 Å²	62.7	63%	0.63	35%	0.349	S	S	*	.			trans	-60.3	148.6	180	66.3	-176.8	-179.5	-176.7	0	111.3	G86 F87	K84-G86 PolarHBondContact O-N 3.03Å; K84-F87 HydrophobicContact CG-CB 4.45Å; K84-F87 HydrophobicContact CG-CD2 4.29Å; K84-F87 WeakPolarHBondContact O-CB 3.41Å; K84-F87 PolarHBondContact O-N 3.02Å; K84-F87 VanDerWaalsContact O-N 3.15Å
85	P	96.1	Very high	97.4	Very high	134 Å²	134	61.1 Å²	61.1	87%	0.87	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	137.1	170.2	-26.7	35	0	0	0	111.8	F87	P85-F87 VanDerWaalsContact C-N 3.35Å
86	G	95.6	Very high	97.4	Very high	72 Å²	72	61.1 Å²	61.1	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	2.2	-178.9	0	0	0	0	0	115.6	K84 T88	K84-G86 PolarHBondContact O-N 3.03Å; G86-T88 PolarHBondContact O-N 2.66Å
87	F	97.6	Very high	97.4	Very high	30 Å²	30	62 Å²	62	13%	0.132	35%	0.35	C	S	.	.			trans	-56.9	135.5	172.1	-160.5	-86.4	0	0	0	110.9	W67 M79 Y83 K84 P85 D91 F92 M95	W67-F87 HydrophobicContact CH2-CD1 4.37Å; W67-F87 VanDerWaalsContact CH2-O 3.28Å; W67-F87 WeakPolarHBondContact CH2-O 3.32Å; M79-F87 HydrophobicContact CE-CB 4.45Å; M79-F87 HydrophobicContact CE-CD1 3.59Å; M79-F87 HydrophobicContact CE-CE1 4.21Å; M79-F87 HydrophobicContact CE-CG 4.29Å; Y83-F87 HydrophobicContact CD1-CD1 4.18Å; Y83-F87 HydrophobicContact CD1-CD2 4.01Å; Y83-F87 HydrophobicContact CD1-CE1 4.01Å; Y83-F87 AromaticContact CD1-CE2 3.83Å; Y83-F87 HydrophobicContact CD1-CE2 3.83Å; Y83-F87 HydrophobicContact CD1-CG 4.19Å; Y83-F87 AromaticContact CD1-CZ 3.83Å; Y83-F87 HydrophobicContact CD1-CZ 3.83Å; Y83-F87 HydrophobicContact CE1-CE1 4.39Å; Y83-F87 HydrophobicContact CE1-CZ 4.16Å; Y83-F87 HydrophobicContact CG-CD1 4.42Å; Y83-F87 HydrophobicContact CG-CG 4.37Å; K84-F87 HydrophobicContact CG-CB 4.45Å; K84-F87 HydrophobicContact CG-CD2 4.29Å; K84-F87 WeakPolarHBondContact O-CB 3.41Å; K84-F87 PolarHBondContact O-N 3.02Å; K84-F87 VanDerWaalsContact O-N 3.15Å; P85-F87 VanDerWaalsContact C-N 3.35Å; F87-D91 HydrophobicContact CD1-CB 4.08Å; F87-D91 HydrophobicContact CD2-CB 3.97Å; F87-D91 HydrophobicContact CE1-CB 3.65Å; F87-D91 HydrophobicContact CE2-CB 3.54Å; F87-D91 HydrophobicContact CG-CB 4.22Å; F87-D91 HydrophobicContact CZ-CB 3.36Å; F87-F92 HydrophobicContact CD1-CE1 4.47Å; F87-F92 HydrophobicContact CD1-CE2 4.41Å; F87-F92 HydrophobicContact CD1-CZ 4.23Å; F87-F92 AromaticContact CE1-CD1 3.61Å; F87-F92 HydrophobicContact CE1-CD1 3.61Å; F87-F92 AromaticContact CE1-CD2 3.97Å; F87-F92 HydrophobicContact CE1-CD2 3.97Å; F87-F92 AromaticContact CE1-CE1 3.46Å; F87-F92 HydrophobicContact CE1-CE1 3.46Å; F87-F92 VanDerWaalsContact CE1-CE1 3.46Å; F87-F92 AromaticContact CE1-CE2 3.81Å; F87-F92 HydrophobicContact CE1-CE2 3.81Å; F87-F92 AromaticContact CE1-CG 3.87Å; F87-F92 HydrophobicContact CE1-CG 3.87Å; F87-F92 AromaticContact CE1-CZ 3.56Å; F87-F92 HydrophobicContact CE1-CZ 3.56Å; F87-F92 AromaticContact CZ-CD1 3.78Å; F87-F92 HydrophobicContact CZ-CD1 3.78Å; F87-F92 AromaticContact CZ-CE1 3.84Å; F87-F92 HydrophobicContact CZ-CE1 3.84Å; F87-F92 HydrophobicContact CZ-CG 4.31Å; F87-F92 HydrophobicContact CZ-CZ 4.39Å; F87-M95 HydrophobicContact CE2-SD 4.47Å; F87-M95 HydrophobicContact CZ-SD 3.96Å
88	T	96.8	Very high	97.4	Very high	63 Å²	63	56.9 Å²	56.9	39%	0.387	33%	0.326	S	S	.	.			trans	-113.6	162.7	179.3	71.5	0	0	0	0	110.2	G86 A90 D91	G86-T88 PolarHBondContact O-N 2.66Å; T88-A90 PolarHBondContact O-N 3.37Å; T88-D91 WeakPolarHBondContact CA-OD2 3.19Å; T88-D91 WeakPolarHBondContact CB-OD2 3.27Å; T88-D91 PolarHBondContact N-OD2 2.88Å; T88-D91 WeakPolarHBondContact O-CB 3.48Å; T88-D91 PolarHBondContact O-N 2.86Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 2.75Å; T88-D91 PolarHBondContact OG1-OD2 3.18Å
89	Y	97.6	Very high	97.5	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.027	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-66.2	-28.5	177.3	-170.4	-97.3	0	0	0	112.9	V51 Y52 F63 W64 W67 D91 F92 E126 W139 F175	V51-Y89 HydrophobicContact CB-CE1 4.39Å; V51-Y89 HydrophobicContact CG1-CE1 3.98Å; Y52-Y89 WeakPolarHBondContact CA-OH 3.4Å; Y52-Y89 WeakPolarHBondContact CB-OH 3.27Å; Y52-Y89 PolarHBondContact N-OH 3.21Å; F63-Y89 HydrophobicContact CD1-CD2 4.34Å; F63-Y89 HydrophobicContact CD1-CE2 4.13Å; W64-Y89 HydrophobicContact CB-CD2 3.87Å; W64-Y89 HydrophobicContact CB-CE1 4.44Å; W64-Y89 HydrophobicContact CB-CE2 3.77Å; W64-Y89 HydrophobicContact CB-CG 4.27Å; W64-Y89 VanDerWaalsContact CD1-CB 3.41Å; W64-Y89 AromaticContact CD1-CD1 3.72Å; W64-Y89 AromaticContact CD1-CD2 3.78Å; W64-Y89 AromaticContact CD1-CG 3.39Å; W64-Y89 HydrophobicContact CG-CD1 4.5Å; W64-Y89 HydrophobicContact CG-CD2 4.26Å; W64-Y89 HydrophobicContact CG-CG 4.23Å; W67-Y89 HydrophobicContact CZ3-CD2 4.46Å; Y89-D91 PolarHBondContact O-N 2.63Å; Y89-F92 AromaticContact CD2-CD2 3.67Å; Y89-F92 HydrophobicContact CD2-CD2 3.67Å; Y89-F92 HydrophobicContact CD2-CE2 4.01Å; Y89-F92 HydrophobicContact CE2-CD2 4.13Å; Y89-F92 HydrophobicContact CG-CD2 4.1Å; Y89-F92 WeakPolarHBondContact O-CB 3.46Å; Y89-F92 PolarHBondContact O-N 2.63Å; Y89-F92 VanDerWaalsContact O-N 3.08Å; Y89-E126 HydrophobicContact CE1-CB 3.83Å; Y89-E126 HydrophobicContact CE1-CG 4.01Å; Y89-W139 HydrophobicContact CD1-CH2 4.24Å; Y89-W139 HydrophobicContact CD1-CZ2 4.07Å; Y89-W139 HydrophobicContact CE1-CH2 4.48Å; Y89-W139 HydrophobicContact CE1-CZ2 4.05Å; Y89-F175 HydrophobicContact CD1-CE1 4.38Å; Y89-F175 HydrophobicContact CD1-CZ 4.19Å; Y89-F175 HydrophobicContact CE1-CZ 4.46Å
90	A	96.7	Very high	97.5	Very high	54 Å²	54	66 Å²	66	45%	0.446	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27.7	175.4	0	0	0	0	0	112.2	T88 F92 G93 W139	T88-A90 PolarHBondContact O-N 3.37Å; A90-F92 PolarHBondContact O-N 2.82Å; A90-G93 PolarHBondContact O-N 2.93Å; A90-W139 HydrophobicContact CB-CH2 4.47Å; A90-W139 HydrophobicContact CB-CZ3 4.21Å
91	D	97.8	Very high	97.5	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.342	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.7	175.7	-62.4	-59.8	0	0	0	112.7	F87 T88 Y89	F87-D91 HydrophobicContact CD1-CB 4.08Å; F87-D91 HydrophobicContact CD2-CB 3.97Å; F87-D91 HydrophobicContact CE1-CB 3.65Å; F87-D91 HydrophobicContact CE2-CB 3.54Å; F87-D91 HydrophobicContact CG-CB 4.22Å; F87-D91 HydrophobicContact CZ-CB 3.36Å; T88-D91 WeakPolarHBondContact CA-OD2 3.19Å; T88-D91 WeakPolarHBondContact CB-OD2 3.27Å; T88-D91 PolarHBondContact N-OD2 2.88Å; T88-D91 WeakPolarHBondContact O-CB 3.48Å; T88-D91 PolarHBondContact O-N 2.86Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 2.75Å; T88-D91 PolarHBondContact OG1-OD2 3.18Å; Y89-D91 PolarHBondContact O-N 2.63Å
92	F	98.2	Very high	97.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-75.9	-22.2	170.2	-67.5	-56.2	0	0	0	113.6	V51 V54 P55 F63 W67 M79 Y83 F87 Y89 A90 M95 F96	V51-F92 HydrophobicContact CG1-CB 3.49Å; V51-F92 VanDerWaalsContact CG1-CB 3.49Å; V54-F92 HydrophobicContact CB-CB 4.22Å; V54-F92 HydrophobicContact CB-CD1 4.1Å; V54-F92 HydrophobicContact CB-CG 4.41Å; V54-F92 HydrophobicContact CG1-CB 4.28Å; V54-F92 HydrophobicContact CG1-CD1 3.55Å; V54-F92 HydrophobicContact CG1-CE1 4.23Å; V54-F92 HydrophobicContact CG1-CG 4.28Å; P55-F92 HydrophobicContact CB-CE1 4.29Å; P55-F92 HydrophobicContact CB-CE2 4.46Å; P55-F92 HydrophobicContact CB-CZ 3.98Å; P55-F92 HydrophobicContact CG-CE2 4.33Å; P55-F92 HydrophobicContact CG-CZ 4.3Å; F63-F92 HydrophobicContact CD1-CE2 4.38Å; F63-F92 AromaticContact CE1-CE2 3.91Å; F63-F92 HydrophobicContact CE1-CE2 3.91Å; F63-F92 HydrophobicContact CE1-CZ 4.18Å; W67-F92 HydrophobicContact CZ3-CE2 4.14Å; M79-F92 HydrophobicContact CE-CE2 4.15Å; M79-F92 HydrophobicContact CE-CZ 3.67Å; M79-F92 HydrophobicContact SD-CE2 4.32Å; M79-F92 HydrophobicContact SD-CZ 3.73Å; Y83-F92 HydrophobicContact CD1-CE1 4.2Å; Y83-F92 HydrophobicContact CE1-CD1 4.43Å; Y83-F92 AromaticContact CE1-CE1 3.45Å; Y83-F92 HydrophobicContact CE1-CE1 3.45Å; Y83-F92 VanDerWaalsContact CE1-CE1 3.45Å; Y83-F92 HydrophobicContact CE1-CZ 4.1Å; Y83-F92 HydrophobicContact CE2-CE1 4.36Å; Y83-F92 HydrophobicContact CE2-CZ 4.33Å; Y83-F92 AromaticContact CZ-CE1 3.54Å; Y83-F92 AromaticContact CZ-CZ 3.95Å; F87-F92 HydrophobicContact CD1-CE1 4.47Å; F87-F92 HydrophobicContact CD1-CE2 4.41Å; F87-F92 HydrophobicContact CD1-CZ 4.23Å; F87-F92 AromaticContact CE1-CD1 3.61Å; F87-F92 HydrophobicContact CE1-CD1 3.61Å; F87-F92 AromaticContact CE1-CD2 3.97Å; F87-F92 HydrophobicContact CE1-CD2 3.97Å; F87-F92 AromaticContact CE1-CE1 3.46Å; F87-F92 HydrophobicContact CE1-CE1 3.46Å; F87-F92 VanDerWaalsContact CE1-CE1 3.46Å; F87-F92 AromaticContact CE1-CE2 3.81Å; F87-F92 HydrophobicContact CE1-CE2 3.81Å; F87-F92 AromaticContact CE1-CG 3.87Å; F87-F92 HydrophobicContact CE1-CG 3.87Å; F87-F92 AromaticContact CE1-CZ 3.56Å; F87-F92 HydrophobicContact CE1-CZ 3.56Å; F87-F92 AromaticContact CZ-CD1 3.78Å; F87-F92 HydrophobicContact CZ-CD1 3.78Å; F87-F92 AromaticContact CZ-CE1 3.84Å; F87-F92 HydrophobicContact CZ-CE1 3.84Å; F87-F92 HydrophobicContact CZ-CG 4.31Å; F87-F92 HydrophobicContact CZ-CZ 4.39Å; Y89-F92 AromaticContact CD2-CD2 3.67Å; Y89-F92 HydrophobicContact CD2-CD2 3.67Å; Y89-F92 HydrophobicContact CD2-CE2 4.01Å; Y89-F92 HydrophobicContact CE2-CD2 4.13Å; Y89-F92 HydrophobicContact CG-CD2 4.1Å; Y89-F92 WeakPolarHBondContact O-CB 3.46Å; Y89-F92 PolarHBondContact O-N 2.63Å; Y89-F92 VanDerWaalsContact O-N 3.08Å; A90-F92 PolarHBondContact O-N 2.82Å; F92-M95 HydrophobicContact CD1-SD 4.12Å; F92-M95 CarbonylContact O-C 3.15Å; F92-M95 WeakPolarHBondContact O-CA 3.31Å; F92-M95 WeakPolarHBondContact O-CB 3.37Å; F92-M95 PolarHBondContact O-N 2.69Å; F92-F96 PolarHBondContact O-N 2.85Å
93	G	98	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54.7	-52.1	-176	0	0	0	0	0	113	A90 M95 F96 G145	A90-G93 PolarHBondContact O-N 2.93Å; G93-M95 PolarHBondContact O-N 3.23Å; G93-F96 PolarHBondContact O-N 3.47Å; G93-F96 VanDerWaalsContact O-N 3.16Å; G93-G145 WeakPolarHBondContact O-CA 3.41Å
94	P	97.9	Very high	97.7	Very high	77 Å²	77	58.2 Å²	58.2	50%	0.5	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-64.9	-17.7	175.3	-23.1	35.1	0	0	0	114.7	M144	P94-M144 HydrophobicContact CG-CG 4.26Å; P94-M144 HydrophobicContact CG-SD 4.21Å
95	M	98.3	Very high	97.8	Very high	78 Å²	78	56.7 Å²	56.7	38%	0.384	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-87.6	-6.9	178.6	-61.1	175.5	65.7	0	0	112.6	V54 Y83 F87 F92 G93 T97 H329	V54-M95 HydrophobicContact CG1-CB 3.57Å; V54-M95 HydrophobicContact CG1-CE 3.97Å; V54-M95 HydrophobicContact CG1-SD 4.31Å; V54-M95 HydrophobicContact CG2-CB 4.26Å; Y83-M95 HydrophobicContact CE1-CE 4.48Å; F87-M95 HydrophobicContact CE2-SD 4.47Å; F87-M95 HydrophobicContact CZ-SD 3.96Å; F92-M95 HydrophobicContact CD1-SD 4.12Å; F92-M95 CarbonylContact O-C 3.15Å; F92-M95 WeakPolarHBondContact O-CA 3.31Å; F92-M95 WeakPolarHBondContact O-CB 3.37Å; F92-M95 PolarHBondContact O-N 2.69Å; G93-M95 PolarHBondContact O-N 3.23Å; M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 2.74Å; M95-H329 PolarHBondContact O-CD2 2.65Å
96	F	98.6	Very high	97.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.			trans	-81.6	76.4	170.7	-173.6	-120.9	0	0	0	109.7	W49 G50 V51 V54 F92 G93 C98 Y128 M130 G145 P146 H329	W49-F96 AromaticContact CD1-CE2 3.88Å; W49-F96 HydrophobicContact CD2-CE2 4.32Å; W49-F96 AromaticContact CD2-CZ 3.84Å; W49-F96 HydrophobicContact CD2-CZ 3.84Å; W49-F96 AromaticContact CE2-CE2 3.63Å; W49-F96 AromaticContact CE2-CZ 3.48Å; W49-F96 VanDerWaalsContact CE2-CZ 3.48Å; W49-F96 HydrophobicContact CE3-CZ 4.46Å; W49-F96 HydrophobicContact CG-CE2 4.42Å; W49-F96 HydrophobicContact CG-CZ 4.17Å; W49-F96 HydrophobicContact CH2-CZ 4.4Å; W49-F96 HydrophobicContact CZ2-CE2 4.02Å; W49-F96 AromaticContact CZ2-CZ 3.78Å; W49-F96 HydrophobicContact CZ2-CZ 3.78Å; W49-F96 AromaticContact NE1-CE2 3.36Å; W49-F96 AromaticContact NE1-CZ 3.67Å; G50-F96 WeakPolarHBondContact O-CD2 3.33Å; G50-F96 WeakPolarHBondContact O-CE2 3.24Å; V51-F96 HydrophobicContact CG2-CB 4.32Å; V54-F96 HydrophobicContact CG2-CB 3.78Å; V54-F96 HydrophobicContact CG2-CD2 4.21Å; V54-F96 HydrophobicContact CG2-CG 4.49Å; F92-F96 PolarHBondContact O-N 2.85Å; G93-F96 PolarHBondContact O-N 3.47Å; G93-F96 VanDerWaalsContact O-N 3.16Å; F96-C98 VanDerWaalsContact CE1-SG 3.58Å; F96-C98 VanDerWaalsContact CZ-SG 3.58Å; F96-Y128 AromaticContact CD1-CE1 3.95Å; F96-Y128 HydrophobicContact CD1-CE1 3.95Å; F96-Y128 HydrophobicContact CE1-CE1 4.08Å; F96-M130 HydrophobicContact CE1-CE 3.78Å; F96-M130 HydrophobicContact CE1-SD 3.78Å; F96-M130 HydrophobicContact CZ-CE 3.78Å; F96-M130 HydrophobicContact CZ-SD 4.2Å; F96-G145 CarbonylContact O-C 3.53Å; F96-G145 WeakPolarHBondContact O-CA 3.47Å; F96-P146 HydrophobicContact CD1-CG 4.47Å; F96-P146 VanDerWaalsContact O-CD 3.27Å; F96-P146 WeakPolarHBondContact O-CD 3.47Å; F96-H329 HydrophobicContact CD2-CB 3.92Å; F96-H329 HydrophobicContact CE2-CB 4.45Å
97	T	97.7	Very high	98	Very high	56 Å²	56	47.1 Å²	47.1	34%	0.344	25%	0.246	S	C	.	.			trans	-83.3	-30.8	-162.6	39.9	0	0	0	0	114.6	M95 E99	M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 2.74Å; T97-E99 WeakPolarHBondContact CB-OE2 3.33Å; T97-E99 PolarHBondContact O-N 3.46Å; T97-E99 VanDerWaalsContact O-N 3.08Å; T97-E99 PolarHBondContact OG1-OE2 3.26Å
98	C	98.3	Very high	98.1	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.263	C	S	.	.			trans	49.1	32.1	-177.9	-51.5	0	0	0	0	114.2	W49 F96 L100 F101 P146 H329 Y330	W49-C98 HydrophobicContact CH2-CB 3.96Å; W49-C98 WeakPolarHBondContact CH2-SG 3.49Å; W49-C98 HydrophobicContact CZ2-CB 4.09Å; W49-C98 WeakPolarHBondContact CZ2-SG 3.14Å; F96-C98 VanDerWaalsContact CE1-SG 3.58Å; F96-C98 VanDerWaalsContact CZ-SG 3.58Å; C98-L100 VanDerWaalsContact C-N 3.27Å; C98-L100 PolarHBondContact O-N 3.31Å; C98-F101 HydrophobicContact CB-CB 3.8Å; C98-F101 WeakPolarHBondContact O-CB 3.36Å; C98-F101 PolarHBondContact O-N 3.18Å; C98-P146 HydrophobicContact CB-CB 3.67Å; C98-P146 HydrophobicContact CB-CG 4.48Å; C98-H329 PolarHBondContact N-O 3.49Å; C98-Y330 CarbonylContact C-O 3.54Å
99	E	97.9	Very high	98.2	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.3	-171.2	68.9	-86.7	-149	0	0	113.6	T97 Y330	T97-E99 WeakPolarHBondContact CB-OE2 3.33Å; T97-E99 PolarHBondContact O-N 3.46Å; T97-E99 VanDerWaalsContact O-N 3.08Å; T97-E99 PolarHBondContact OG1-OE2 3.26Å; E99-Y330 PolarHBondContact N-O 3.16Å; E99-Y330 VanDerWaalsContact OE1-CB 3.32Å; E99-Y330 WeakPolarHBondContact OE1-CB 3.49Å; E99-Y330 WeakPolarHBondContact OE2-CA 3.43Å; E99-Y330 WeakPolarHBondContact OE2-CB 3.45Å
100	L	98.2	Very high	98.2	Very high	97 Å²	97	47.9 Å²	47.9	51%	0.508	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	2.2	173.1	-53.9	-172.1	0	0	0	112.8	C98 D102 Y330 G331	C98-L100 VanDerWaalsContact C-N 3.27Å; C98-L100 PolarHBondContact O-N 3.31Å; L100-D102 PolarHBondContact O-N 3.48Å; L100-Y330 WeakPolarHBondContact CA-O 3.16Å; L100-Y330 HydrophobicContact CB-CD2 4.44Å; L100-Y330 WeakPolarHBondContact CB-O 3.48Å; L100-Y330 HydrophobicContact CD1-CD2 3.73Å; L100-Y330 HydrophobicContact CD1-CE2 4.1Å; L100-Y330 HydrophobicContact CG-CD2 4.18Å; L100-Y330 PolarHBondContact N-O 3.13Å; L100-G331 CarbonylContact C-O 3.54Å
101	F	98.5	Very high	98.3	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.039	24%	0.241	C	C	.	.			trans	-67.9	118	-178.2	171.4	-120.2	0	0	0	112.2	W49 C98 F106 R148 I150 E153 L154	W49-F101 HydrophobicContact CH2-CB 3.94Å; W49-F101 HydrophobicContact CH2-CD1 4.34Å; W49-F101 AromaticContact CH2-CD2 3.73Å; W49-F101 HydrophobicContact CH2-CD2 3.73Å; W49-F101 HydrophobicContact CH2-CE2 4.36Å; W49-F101 AromaticContact CH2-CG 3.73Å; W49-F101 HydrophobicContact CH2-CG 3.73Å; W49-F101 AromaticContact CZ3-CD2 3.86Å; W49-F101 HydrophobicContact CZ3-CD2 3.86Å; W49-F101 HydrophobicContact CZ3-CE2 4.04Å; W49-F101 HydrophobicContact CZ3-CG 4.2Å; C98-F101 HydrophobicContact CB-CB 3.8Å; C98-F101 WeakPolarHBondContact O-CB 3.36Å; C98-F101 PolarHBondContact O-N 3.18Å; F101-F106 HydrophobicContact CD2-CD1 4.46Å; F101-F106 HydrophobicContact CD2-CD2 4.26Å; F101-F106 HydrophobicContact CD2-CE1 4.24Å; F101-F106 HydrophobicContact CD2-CE2 4.04Å; F101-F106 HydrophobicContact CD2-CG 4.49Å; F101-F106 HydrophobicContact CD2-CZ 4.02Å; F101-F106 HydrophobicContact CE2-CD1 4.18Å; F101-F106 HydrophobicContact CE2-CD2 4.43Å; F101-F106 HydrophobicContact CE2-CE1 4.33Å; F101-F106 HydrophobicContact CE2-CG 4.24Å; F101-R148 PolarHBondContact O-NH1 3.24Å; F101-R148 PolarHBondContact O-NH2 3.27Å; F101-I150 HydrophobicContact CD1-CD1 3.57Å; F101-I150 HydrophobicContact CE1-CD1 3.47Å; F101-I150 VanDerWaalsContact CE1-CD1 3.47Å; F101-I150 HydrophobicContact CE1-CG2 4.32Å; F101-I150 HydrophobicContact CZ-CD1 4.34Å; F101-I150 HydrophobicContact CZ-CG2 4.18Å; F101-E153 HydrophobicContact CE1-CB 4.47Å; F101-L154 HydrophobicContact CE2-CD1 4.38Å; F101-L154 HydrophobicContact CE2-CD2 4.05Å; F101-L154 HydrophobicContact CE2-CG 4.16Å; F101-L154 HydrophobicContact CZ-CD1 4.36Å; F101-L154 HydrophobicContact CZ-CD2 4.2Å; F101-L154 HydrophobicContact CZ-CG 3.92Å
102	D	98.4	Very high	98.4	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	24%	0.237	S	C	.	.			trans	-124.3	109.2	169	177	-2.5	0	0	0	109.8	L100 K104 R105 F106	L100-D102 PolarHBondContact O-N 3.48Å; D102-K104 PolarHBondContact O-N 2.86Å; D102-K104 WeakPolarHBondContact OD1-CA 3.36Å; D102-K104 VanDerWaalsContact OD1-CB 3.31Å; D102-K104 WeakPolarHBondContact OD1-CB 3.47Å; D102-K104 PolarHBondContact OD1-N 3.4Å; D102-R105 HydrophobicContact CB-CB 3.89Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 VanDerWaalsContact O-N 3.14Å; D102-R105 PolarHBondContact OD1-N 2.92Å; D102-F106 VanDerWaalsContact O-CD2 3.31Å; D102-F106 WeakPolarHBondContact O-CD2 3.39Å; D102-F106 PolarHBondContact O-N 3.47Å
103	S	98.4	Very high	98.4	Very high	11 Å²	11	47.9 Å²	47.9	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-31.6	179.4	56.5	0	0	0	0	113.1	A107 E153 S157	S103-A107 WeakPolarHBondContact O-CB 3.37Å; S103-A107 PolarHBondContact O-N 2.83Å; S103-E153 WeakPolarHBondContact CB-O 3.5Å; S103-S157 VanDerWaalsContact O-CB 3.3Å; S103-S157 WeakPolarHBondContact O-CB 3.25Å; S103-S157 PolarHBondContact OG-OG 3.4Å
104	K	98.6	Very high	98.4	Very high	135 Å²	135	48.7 Å²	48.7	59%	0.587	25%	0.245	S	C	*	.	H	α-helix	trans	-72.2	-43.3	176.5	-60.8	174.7	-177.1	169.9	0	110.8	D102 F106 A107 K108	D102-K104 PolarHBondContact O-N 2.86Å; D102-K104 WeakPolarHBondContact OD1-CA 3.36Å; D102-K104 VanDerWaalsContact OD1-CB 3.31Å; D102-K104 WeakPolarHBondContact OD1-CB 3.47Å; D102-K104 PolarHBondContact OD1-N 3.4Å; K104-F106 VanDerWaalsContact C-N 3.32Å; K104-F106 PolarHBondContact O-N 3.14Å; K104-A107 PolarHBondContact O-N 3.33Å; K104-K108 WeakPolarHBondContact O-CG 3.35Å; K104-K108 PolarHBondContact O-N 3.31Å
105	R	98.3	Very high	98.5	Very high	113 Å²	113	45.1 Å²	45.1	43%	0.426	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-44.9	175.6	-176.4	176.9	172.7	-165.2	-7.6	110.5	D102 K108 T109 E332 E338	D102-R105 HydrophobicContact CB-CB 3.89Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 VanDerWaalsContact O-N 3.14Å; D102-R105 PolarHBondContact OD1-N 2.92Å; R105-K108 PolarHBondContact O-N 3.02Å; R105-T109 PolarHBondContact O-N 3.31Å; R105-T109 PolarHBondContact O-OG1 3.14Å; R105-E332 IonicContact NH2-OE1 2.83Å; R105-E338 IonicContact NH2-OE2 3.55Å
106	F	98.6	Very high	98.5	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-53.2	175.3	-84.3	-134.3	0	0	0	110.5	M47 F101 D102 K104 K108 T109 I110 L154 P327 G331 I333	M47-F106 HydrophobicContact CE-CD1 3.67Å; M47-F106 HydrophobicContact CE-CE1 3.89Å; M47-F106 HydrophobicContact SD-CD1 3.94Å; M47-F106 HydrophobicContact SD-CE1 3.91Å; F101-F106 HydrophobicContact CD2-CD1 4.46Å; F101-F106 HydrophobicContact CD2-CD2 4.26Å; F101-F106 HydrophobicContact CD2-CE1 4.24Å; F101-F106 HydrophobicContact CD2-CE2 4.04Å; F101-F106 HydrophobicContact CD2-CG 4.49Å; F101-F106 HydrophobicContact CD2-CZ 4.02Å; F101-F106 HydrophobicContact CE2-CD1 4.18Å; F101-F106 HydrophobicContact CE2-CD2 4.43Å; F101-F106 HydrophobicContact CE2-CE1 4.33Å; F101-F106 HydrophobicContact CE2-CG 4.24Å; D102-F106 VanDerWaalsContact O-CD2 3.31Å; D102-F106 WeakPolarHBondContact O-CD2 3.39Å; D102-F106 PolarHBondContact O-N 3.47Å; K104-F106 VanDerWaalsContact C-N 3.32Å; K104-F106 PolarHBondContact O-N 3.14Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3Å; F106-T109 WeakPolarHBondContact O-CB 3.44Å; F106-T109 PolarHBondContact O-N 3.4Å; F106-I110 WeakPolarHBondContact O-CG1 3.45Å; F106-I110 PolarHBondContact O-N 3.24Å; F106-L154 HydrophobicContact CB-CD2 3.85Å; F106-L154 HydrophobicContact CD1-CD2 4.23Å; F106-L154 HydrophobicContact CG-CD2 4.39Å; F106-P327 HydrophobicContact CE1-CB 4.07Å; F106-P327 HydrophobicContact CE1-CG 3.74Å; F106-P327 HydrophobicContact CZ-CB 4.04Å; F106-P327 HydrophobicContact CZ-CG 4.22Å; F106-G331 WeakPolarHBondContact CE2-O 3.42Å; F106-G331 WeakPolarHBondContact CZ-O 3.47Å; F106-I333 HydrophobicContact CB-CD1 4.47Å; F106-I333 HydrophobicContact CD1-CD1 3.92Å; F106-I333 HydrophobicContact CD1-CG1 4.15Å; F106-I333 HydrophobicContact CD2-CD1 4.28Å; F106-I333 HydrophobicContact CD2-CG1 4.39Å; F106-I333 HydrophobicContact CE1-CD1 4.18Å; F106-I333 HydrophobicContact CE1-CG1 3.88Å; F106-I333 HydrophobicContact CE2-CG1 4.13Å; F106-I333 HydrophobicContact CG-CD1 3.97Å; F106-I333 HydrophobicContact CG-CG1 4.39Å; F106-I333 HydrophobicContact CZ-CD1 4.47Å; F106-I333 HydrophobicContact CZ-CG1 3.86Å
107	A	98.7	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-38.9	179.7	0	0	0	0	0	113.1	S103 K104 I110 K111 S157 I158 E161	S103-A107 WeakPolarHBondContact O-CB 3.37Å; S103-A107 PolarHBondContact O-N 2.83Å; K104-A107 PolarHBondContact O-N 3.33Å; A107-I110 PolarHBondContact O-N 3.5Å; A107-K111 WeakPolarHBondContact O-CB 3.39Å; A107-K111 PolarHBondContact O-N 3.28Å; A107-S157 VanDerWaalsContact CB-C 3.5Å; A107-S157 WeakPolarHBondContact CB-O 3.3Å; A107-I158 HydrophobicContact CB-CD1 3.96Å; A107-I158 HydrophobicContact CB-CG1 4.39Å; A107-E161 HydrophobicContact CB-CG 3.92Å
108	K	98.6	Very high	98.6	Very high	113 Å²	113	42.7 Å²	42.7	49%	0.491	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-39.2	173.8	-70.9	-59.9	-176.3	-163.2	0	112.8	K104 R105 F106 K111 A112 E161	K104-K108 WeakPolarHBondContact O-CG 3.35Å; K104-K108 PolarHBondContact O-N 3.31Å; R105-K108 PolarHBondContact O-N 3.02Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3Å; K108-K111 PolarHBondContact O-N 3.37Å; K108-A112 VanDerWaalsContact O-CB 3.32Å; K108-A112 WeakPolarHBondContact O-CB 3.32Å; K108-A112 PolarHBondContact O-N 2.94Å; K108-E161 WeakPolarHBondContact CD-OE1 3.41Å; K108-E161 WeakPolarHBondContact CE-OE1 3.46Å; K108-E161 IonicContact NZ-OE1 4Å; K108-E161 PolarHBondContact NZ-OE1 2.96Å; K108-E161 IonicContact NZ-OE2 3.17Å; K108-E161 PolarHBondContact NZ-OE2 3.28Å
109	T	98.6	Very high	98.6	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-44.2	174.8	-64.8	0	0	0	0	111.4	R105 F106 K111 A112 S113 I333 E338 L341	R105-T109 PolarHBondContact O-N 3.31Å; R105-T109 PolarHBondContact O-OG1 3.14Å; F106-T109 WeakPolarHBondContact O-CB 3.44Å; F106-T109 PolarHBondContact O-N 3.4Å; T109-K111 PolarHBondContact O-N 3.24Å; T109-A112 PolarHBondContact O-N 2.83Å; T109-S113 PolarHBondContact O-N 3.02Å; T109-I333 HydrophobicContact CG2-CD1 4.03Å; T109-I333 HydrophobicContact CG2-CG2 4.43Å; T109-E338 HydrophobicContact CG2-CB 4.34Å; T109-E338 HydrophobicContact CG2-CG 3.98Å; T109-L341 HydrophobicContact CG2-CD1 3.78Å
110	I	98.7	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-43.3	175	-56.9	-48.9	0	0	0	110.8	I45 M47 F106 A107 A112 S113 A115 F118 I158 I163 L341	I45-I110 HydrophobicContact CB-CD1 4.03Å; I45-I110 HydrophobicContact CB-CG2 4.25Å; I45-I110 HydrophobicContact CG1-CD1 4.11Å; I45-I110 HydrophobicContact CG1-CG2 4.08Å; I45-I110 HydrophobicContact CG2-CD1 3.65Å; M47-I110 HydrophobicContact CE-CD1 4.47Å; F106-I110 WeakPolarHBondContact O-CG1 3.45Å; F106-I110 PolarHBondContact O-N 3.24Å; A107-I110 PolarHBondContact O-N 3.5Å; I110-A112 VanDerWaalsContact C-N 3.29Å; I110-A112 PolarHBondContact O-N 3.26Å; I110-S113 WeakPolarHBondContact O-CB 3.35Å; I110-S113 PolarHBondContact O-N 2.87Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 3.12Å; I110-A115 HydrophobicContact CG2-CB 4.21Å; I110-F118 HydrophobicContact CD1-CD2 4.26Å; I110-F118 HydrophobicContact CD1-CE2 4.26Å; I110-F118 HydrophobicContact CG1-CD2 4.08Å; I110-F118 HydrophobicContact CG1-CE2 4.25Å; I110-F118 HydrophobicContact CG2-CB 4.4Å; I110-F118 HydrophobicContact CG2-CD2 4.26Å; I110-I158 HydrophobicContact CB-CD1 4.08Å; I110-I158 HydrophobicContact CG1-CD1 4.01Å; I110-I158 HydrophobicContact CG2-CD1 4.27Å; I110-I163 HydrophobicContact CB-CD1 4.48Å; I110-I163 HydrophobicContact CG2-CD1 3.96Å; I110-L341 HydrophobicContact CD1-CD1 4.25Å
111	K	98.7	Very high	98.7	Very high	86 Å²	86	32.4 Å²	32.4	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-59.8	-41.6	175.4	-178.6	57.9	171.8	-159	0	112.3	A107 K108 T109 S113 G114 E161 I163	A107-K111 WeakPolarHBondContact O-CB 3.39Å; A107-K111 PolarHBondContact O-N 3.28Å; K108-K111 PolarHBondContact O-N 3.37Å; T109-K111 PolarHBondContact O-N 3.24Å; K111-S113 PolarHBondContact O-N 2.82Å; K111-G114 PolarHBondContact O-N 2.73Å; K111-G114 VanDerWaalsContact O-N 3.14Å; K111-E161 HydrophobicContact CB-CB 4.1Å; K111-E161 HydrophobicContact CB-CG 4.23Å; K111-E161 HydrophobicContact CD-CB 4.21Å; K111-E161 HydrophobicContact CG-CB 4.27Å; K111-E161 PolarHBondContact NZ-O 3.02Å; K111-I163 HydrophobicContact CB-CD1 4.07Å; K111-I163 HydrophobicContact CD-CD1 4.11Å; K111-I163 HydrophobicContact CD-CG1 4.41Å
112	A	98.7	Very high	98.7	Very high	32 Å²	32	32 Å²	32	26%	0.264	15%	0.152	S	C	.	.	H	α-helix	trans	-66	-17.2	179.7	0	0	0	0	0	113.2	K108 T109 I110 G114 R342 G345	K108-A112 VanDerWaalsContact O-CB 3.32Å; K108-A112 WeakPolarHBondContact O-CB 3.32Å; K108-A112 PolarHBondContact O-N 2.94Å; T109-A112 PolarHBondContact O-N 2.83Å; I110-A112 VanDerWaalsContact C-N 3.29Å; I110-A112 PolarHBondContact O-N 3.26Å; A112-G114 VanDerWaalsContact C-N 3.33Å; A112-R342 HydrophobicContact CB-CG 4.17Å; A112-G345 WeakPolarHBondContact O-CA 3.36Å
113	S	98.7	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.3	174.4	83.6	0	0	0	0	114.2	F43 T109 I110 K111 A115 L341 G345	F43-S113 WeakPolarHBondContact CE1-O 3.44Å; T109-S113 PolarHBondContact O-N 3.02Å; I110-S113 WeakPolarHBondContact O-CB 3.35Å; I110-S113 PolarHBondContact O-N 2.87Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 3.12Å; K111-S113 PolarHBondContact O-N 2.82Å; S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 WeakPolarHBondContact OG-CB 3.25Å; S113-A115 PolarHBondContact OG-N 3.01Å; S113-L341 VanDerWaalsContact CA-O 3.24Å; S113-L341 WeakPolarHBondContact CA-O 3.34Å; S113-L341 WeakPolarHBondContact CB-O 3.44Å; S113-G345 VanDerWaalsContact C-CA 3.43Å; S113-G345 WeakPolarHBondContact O-CA 3.33Å; S113-G345 PolarHBondContact O-N 2.9Å
114	G	98.7	Very high	98.7	Very high	17 Å²	17	28.3 Å²	28.3	18%	0.175	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	2.2	-172.8	0	0	0	0	0	114.2	K111 A112 Y356	K111-G114 PolarHBondContact O-N 2.73Å; K111-G114 VanDerWaalsContact O-N 3.14Å; A112-G114 VanDerWaalsContact C-N 3.33Å; G114-Y356 PolarHBondContact O-OH 3.12Å
115	A	98.8	Very high	98.7	Very high	2 Å²	2	22 Å²	22	2%	0.017	10%	0.104	C	C	.	.			trans	-57.5	145	176.5	0	0	0	0	0	112.7	F43 I45 I110 S113	F43-A115 HydrophobicContact CD1-CB 4.04Å; F43-A115 HydrophobicContact CE1-CB 4.11Å; F43-A115 WeakPolarHBondContact O-CA 3.42Å; I45-A115 HydrophobicContact CD1-CB 4.37Å; I45-A115 HydrophobicContact CG1-CB 3.72Å; I110-A115 HydrophobicContact CG2-CB 4.21Å; S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 WeakPolarHBondContact OG-CB 3.25Å; S113-A115 PolarHBondContact OG-N 3.01Å
116	K	98.8	Very high	98.6	Very high	83 Å²	83	16.8 Å²	16.8	36%	0.361	9%	0.085	S	C	.	.	S	Bend	trans	-105.3	-16.2	179.3	-59.5	-58.2	-179.3	178.9	0	112.9	A41 F43 R164 Y356	A41-K116 HydrophobicContact CB-CB 3.68Å; A41-K116 HydrophobicContact CB-CG 4.4Å; A41-K116 WeakPolarHBondContact O-CG 3.27Å; F43-K116 PolarHBondContact O-N 3.04Å; K116-R164 PolarHBondContact O-N 3.26Å; K116-Y356 HydrophobicContact CD-CE1 4.21Å; K116-Y356 VanDerWaalsContact CE-CE1 3.43Å; K116-Y356 HydrophobicContact CG-CD1 3.96Å; K116-Y356 HydrophobicContact CG-CE1 3.68Å
117	Y	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.4	171.7	65.6	-72.3	0	0	0	111	W37 Y38 A41 G44 I45 V119 R164 V212 E280 N320 L322	W37-Y117 HydrophobicContact CZ3-CG 4.31Å; Y38-Y117 HydrophobicContact CE2-CD2 4.5Å; Y38-Y117 AromaticContact CE2-CE2 3.99Å; Y38-Y117 HydrophobicContact CE2-CE2 3.99Å; A41-Y117 HydrophobicContact CB-CD1 3.87Å; A41-Y117 HydrophobicContact CB-CE1 4.17Å; G44-Y117 CarbonylContact C-O 3.58Å; G44-Y117 WeakPolarHBondContact CA-O 3.39Å; I45-Y117 PolarHBondContact N-O 3.03Å; Y117-V119 HydrophobicContact CD2-CG2 4.13Å; Y117-V119 HydrophobicContact CE2-CG2 4.45Å; Y117-R164 CarbonylContact C-O 3.44Å; Y117-R164 WeakPolarHBondContact CA-O 3.25Å; Y117-V212 HydrophobicContact CD2-CG2 4.35Å; Y117-E280 VanDerWaalsContact CE2-OE2 3.3Å; Y117-E280 WeakPolarHBondContact CE2-OE2 3.28Å; Y117-E280 PolarHBondContact OH-OE2 3.26Å; Y117-N320 WeakPolarHBondContact OH-CB 3.34Å; Y117-L322 HydrophobicContact CD2-CD1 4.41Å; Y117-L322 HydrophobicContact CE2-CD1 3.76Å
118	F	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.6	-179.9	170.9	-103.1	0	0	0	109	I45 M47 I110 L120 I158 I163 R164 F165 G166	I45-F118 HydrophobicContact CB-CD2 4.13Å; I45-F118 HydrophobicContact CG2-CD2 4.23Å; I45-F118 HydrophobicContact CG2-CE2 4.39Å; I45-F118 CarbonylContact O-C 3.6Å; I45-F118 VanDerWaalsContact O-CA 3.29Å; I45-F118 WeakPolarHBondContact O-CA 3.19Å; I45-F118 WeakPolarHBondContact O-CD2 3.17Å; M47-F118 HydrophobicContact CB-CE2 3.72Å; M47-F118 HydrophobicContact CB-CZ 3.82Å; M47-F118 HydrophobicContact CE-CE2 3.89Å; M47-F118 HydrophobicContact CE-CZ 4.11Å; M47-F118 HydrophobicContact CG-CZ 4.47Å; M47-F118 HydrophobicContact SD-CE2 4.19Å; M47-F118 HydrophobicContact SD-CZ 3.86Å; I110-F118 HydrophobicContact CD1-CD2 4.26Å; I110-F118 HydrophobicContact CD1-CE2 4.26Å; I110-F118 HydrophobicContact CG1-CD2 4.08Å; I110-F118 HydrophobicContact CG1-CE2 4.25Å; I110-F118 HydrophobicContact CG2-CB 4.4Å; I110-F118 HydrophobicContact CG2-CD2 4.26Å; F118-L120 HydrophobicContact CE1-CB 3.74Å; F118-L120 HydrophobicContact CZ-CB 4.04Å; F118-L120 HydrophobicContact CZ-CD1 4.41Å; F118-I158 HydrophobicContact CB-CD1 4.26Å; F118-I158 HydrophobicContact CB-CG2 3.98Å; F118-I158 HydrophobicContact CD1-CD1 4.04Å; F118-I158 HydrophobicContact CD1-CG1 3.86Å; F118-I158 HydrophobicContact CD1-CG2 4.41Å; F118-I158 HydrophobicContact CD2-CD1 4.42Å; F118-I158 HydrophobicContact CE1-CD1 4.49Å; F118-I158 HydrophobicContact CE1-CG1 4.28Å; F118-I158 HydrophobicContact CG-CD1 3.98Å; F118-I158 HydrophobicContact CG-CG1 4.28Å; F118-I163 HydrophobicContact CB-CG2 4.17Å; F118-R164 PolarHBondContact N-O 3Å; F118-F165 AromaticContact CD1-CD2 3.88Å; F118-F165 HydrophobicContact CD1-CD2 3.88Å; F118-F165 AromaticContact CD1-CE2 3.9Å; F118-F165 HydrophobicContact CD1-CE2 3.9Å; F118-F165 HydrophobicContact CE1-CD2 4.45Å; F118-F165 HydrophobicContact CE1-CE2 4.01Å; F118-F165 CarbonylContact O-C 3.36Å; F118-G166 WeakPolarHBondContact O-CA 3.42Å; F118-G166 PolarHBondContact O-N 3.19Å
119	V	98.9	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.1	177.5	-175	0	0	0	0	108.6	I45 F46 M47 Y117 G166 V212 W214 L322	I45-V119 PolarHBondContact O-N 2.97Å; F46-V119 CarbonylContact C-O 3.59Å; F46-V119 WeakPolarHBondContact CA-O 3.41Å; F46-V119 HydrophobicContact CD2-CB 3.87Å; F46-V119 HydrophobicContact CD2-CG1 3.92Å; F46-V119 VanDerWaalsContact CD2-O 3.32Å; F46-V119 WeakPolarHBondContact CD2-O 3.47Å; F46-V119 HydrophobicContact CE2-CB 4.14Å; F46-V119 HydrophobicContact CE2-CG1 3.65Å; F46-V119 HydrophobicContact CZ-CG1 4.4Å; M47-V119 PolarHBondContact N-O 3.44Å; Y117-V119 HydrophobicContact CD2-CG2 4.13Å; Y117-V119 HydrophobicContact CE2-CG2 4.45Å; V119-G166 WeakPolarHBondContact CA-O 3.21Å; V119-V212 HydrophobicContact CG2-CB 4.36Å; V119-V212 HydrophobicContact CG2-CG1 4.42Å; V119-W214 HydrophobicContact CG1-CB 4.1Å; V119-L322 HydrophobicContact CB-CD1 4.48Å; V119-L322 HydrophobicContact CG2-CD1 4.18Å; V119-L322 HydrophobicContact CG2-CD2 4.24Å
120	L	98.8	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.3	174.8	176.8	67.3	0	0	0	110.2	M47 F118 S122 V151 L154 G166 L167 Y168	M47-L120 HydrophobicContact CB-CD1 4.09Å; M47-L120 HydrophobicContact CG-CD1 3.96Å; M47-L120 HydrophobicContact SD-CD1 3.99Å; F118-L120 HydrophobicContact CE1-CB 3.74Å; F118-L120 HydrophobicContact CZ-CB 4.04Å; F118-L120 HydrophobicContact CZ-CD1 4.41Å; L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.38Å; L120-V151 HydrophobicContact CD2-CG2 3.97Å; L120-L154 HydrophobicContact CD1-CD1 4.19Å; L120-L154 HydrophobicContact CD2-CD1 3.68Å; L120-L154 HydrophobicContact CG-CD1 4.5Å; L120-G166 PolarHBondContact N-O 2.9Å; L120-L167 HydrophobicContact CB-CD2 4.27Å; L120-Y168 PolarHBondContact O-N 3.38Å
121	T	98.6	Very high	98.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	93.1	163.4	52.5	0	0	0	0	110.2	F46 M47 H48 W49 Y52 K123 M130 Y168	F46-T121 HydrophobicContact CE2-CG2 4.44Å; M47-T121 PolarHBondContact O-N 3.01Å; M47-T121 PolarHBondContact O-OG1 2.81Å; M47-T121 VanDerWaalsContact O-OG1 3.13Å; H48-T121 HydrophobicContact CB-CG2 4.08Å; H48-T121 VanDerWaalsContact CD2-CG2 3.46Å; H48-T121 WeakPolarHBondContact CD2-CG2 3.3Å; W49-T121 PolarHBondContact N-OG1 3.45Å; W49-T121 PolarHBondContact O-OG1 3.17Å; Y52-T121 PolarHBondContact OH-OG1 3.46Å; T121-K123 VanDerWaalsContact C-N 3.28Å; T121-M130 WeakPolarHBondContact O-CG 3.41Å; T121-Y168 HydrophobicContact CG2-CD1 3.7Å; T121-Y168 HydrophobicContact CG2-CE1 4.15Å; T121-Y168 HydrophobicContact CG2-CG 4.07Å
122	S	98.7	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-40.5	175.1	70.7	0	0	0	0	110.2	L120 A129 M130 W131 Y168	L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.38Å; S122-A129 CarbonylContact O-C 3.32Å; S122-M130 WeakPolarHBondContact O-CB 3.31Å; S122-M130 WeakPolarHBondContact O-CG 3.35Å; S122-M130 PolarHBondContact O-N 2.75Å; S122-W131 VanDerWaalsContact O-CZ3 3.23Å; S122-W131 WeakPolarHBondContact O-CZ3 3.49Å; S122-Y168 WeakPolarHBondContact CB-O 3.22Å; S122-Y168 PolarHBondContact N-O 2.61Å; S122-Y168 PolarHBondContact OG-O 2.96Å
123	K	98.6	Very high	98.6	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	129	173.7	-178.9	-175.5	68.3	116.8	0	108.8	T121 W131 Y168 F169 S170 E173	T121-K123 VanDerWaalsContact C-N 3.28Å; K123-W131 HydrophobicContact CB-CH2 4.2Å; K123-W131 HydrophobicContact CB-CZ3 3.91Å; K123-Y168 WeakPolarHBondContact O-CD1 3.15Å; K123-Y168 WeakPolarHBondContact O-CE1 3.17Å; K123-F169 HydrophobicContact CD-CE2 4.42Å; K123-F169 VanDerWaalsContact CE-CE2 3.41Å; K123-S170 WeakPolarHBondContact CE-O 3.25Å; K123-S170 PolarHBondContact NZ-O 3.44Å; K123-S170 PolarHBondContact O-N 2.77Å; K123-E173 WeakPolarHBondContact CD-OE1 3.27Å; K123-E173 IonicContact NZ-OE1 2.84Å; K123-E173 PolarHBondContact NZ-OE1 2.87Å
124	H	98.5	Very high	98.5	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	8%	0.081	C	C	.	.			trans	-104.6	-173.9	174.8	-173.4	-94.3	0	0	0	110.8	H48 Y52 E126 G127 Y168	H48-H124 AromaticContact CD2-CD2 3.82Å; Y52-H124 HydrophobicContact CE1-CB 3.81Å; Y52-H124 AromaticContact CE1-CG 3.87Å; Y52-H124 AromaticContact CE1-ND1 3.77Å; H124-E126 WeakPolarHBondContact CB-OE2 2.9Å; H124-E126 IonicContact CG-OE2 3.67Å; H124-E126 IonicContact ND1-OE2 2.89Å; H124-E126 PolarHBondContact ND1-OE2 2.83Å; H124-E126 PolarHBondContact O-N 3.1Å; H124-E126 VanDerWaalsContact O-N 3.12Å; H124-G127 PolarHBondContact O-N 3.22Å; H124-Y168 HydrophobicContact CB-CE1 4.38Å; H124-Y168 AromaticContact CD2-CE1 3.94Å; H124-Y168 AromaticContact CD2-CZ 3.98Å; H124-Y168 PolarHBondContact CD2-OH 3.41Å
125	H	98.2	Very high	98.5	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.5	-170.4	-55.4	-33.7	0	0	0	114.9	W62 G127 Y168 S170 Y172 E173 W174 D216 W219	W62-H125 AromaticContact CZ2-CD2 3.95Å; W62-H125 AromaticContact CZ2-NE2 4Å; H125-G127 PolarHBondContact O-N 3.05Å; H125-Y168 PolarHBondContact CE1-OH 3.17Å; H125-S170 PolarHBondContact CE1-OG 2.72Å; H125-S170 WeakPolarHBondContact ND1-CB 3.46Å; H125-S170 PolarHBondContact ND1-OG 2.96Å; H125-Y172 HydrophobicContact CB-CE2 3.88Å; H125-Y172 AromaticContact CD2-CZ 3.91Å; H125-Y172 PolarHBondContact CD2-OH 2.88Å; H125-Y172 AromaticContact CE1-CE1 3.68Å; H125-Y172 AromaticContact CE1-CZ 3.91Å; H125-Y172 AromaticContact CG-CZ 3.48Å; H125-Y172 VanDerWaalsContact CG-CZ 3.48Å; H125-Y172 AromaticContact ND1-CE1 3.5Å; H125-Y172 WeakPolarHBondContact ND1-CE1 3.26Å; H125-Y172 AromaticContact ND1-CZ 3.46Å; H125-Y172 PolarHBondContact ND1-OH 3.47Å; H125-E173 CarbonylContact O-C 3.5Å; H125-E173 VanDerWaalsContact O-CA 3.31Å; H125-E173 WeakPolarHBondContact O-CA 3.19Å; H125-W174 HydrophobicContact CB-CD2 3.68Å; H125-W174 VanDerWaalsContact CB-CE2 3.44Å; H125-W174 HydrophobicContact CB-CE3 3.85Å; H125-W174 HydrophobicContact CB-CG 4.41Å; H125-W174 HydrophobicContact CB-CH2 3.53Å; H125-W174 HydrophobicContact CB-CZ2 3.38Å; H125-W174 HydrophobicContact CB-CZ3 3.79Å; H125-W174 AromaticContact CD2-CZ2 3.67Å; H125-W174 AromaticContact CG-CZ2 3.89Å; H125-W174 PolarHBondContact O-N 2.65Å; H125-D216 IonicContact CE1-OD2 3.71Å; H125-D216 IonicContact NE2-OD2 3.26Å; H125-W219 AromaticContact CE1-CH2 3.93Å; H125-W219 AromaticContact NE2-CH2 3.69Å
126	E	97.7	Very high	98.3	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.014	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.7	172.1	76	-71.9	174.9	0	0	113.5	Y52 Y89 H124 Y128 W139 W174 F175	Y52-E126 VanDerWaalsContact CD1-CD 3.42Å; Y52-E126 HydrophobicContact CD1-CG 4.41Å; Y52-E126 VanDerWaalsContact CD1-OE1 3.27Å; Y52-E126 WeakPolarHBondContact CD1-OE1 3.38Å; Y52-E126 WeakPolarHBondContact CD1-OE2 3.42Å; Y52-E126 WeakPolarHBondContact CE1-OE1 3.43Å; Y52-E126 WeakPolarHBondContact CE1-OE2 3.27Å; Y89-E126 HydrophobicContact CE1-CB 3.83Å; Y89-E126 HydrophobicContact CE1-CG 4.01Å; H124-E126 WeakPolarHBondContact CB-OE2 2.9Å; H124-E126 IonicContact CG-OE2 3.67Å; H124-E126 IonicContact ND1-OE2 2.89Å; H124-E126 PolarHBondContact ND1-OE2 2.83Å; H124-E126 PolarHBondContact O-N 3.1Å; H124-E126 VanDerWaalsContact O-N 3.12Å; E126-Y128 VanDerWaalsContact C-N 3.25Å; E126-Y128 PolarHBondContact O-N 2.96Å; E126-W139 PolarHBondContact O-NE1 3.4Å; E126-W174 HydrophobicContact CB-CE3 4.07Å; E126-W174 HydrophobicContact CB-CZ3 4.03Å; E126-F175 HydrophobicContact CB-CE1 3.89Å; E126-F175 HydrophobicContact CB-CZ 4.08Å; E126-F175 WeakPolarHBondContact O-CZ 3.15Å
127	G	98.1	Very high	98	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	11%	0.113	C	C	.	.			trans	75.5	2.8	172.8	0	0	0	0	0	116	H124 H125 A129 W139	H124-G127 PolarHBondContact O-N 3.22Å; H125-G127 PolarHBondContact O-N 3.05Å; G127-A129 PolarHBondContact O-N 2.89Å; G127-W139 VanDerWaalsContact C-CD1 3.45Å
128	Y	98.5	Very high	97.8	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	13%	0.131	C	C	.	.			trans	-73.2	118.2	178.5	-174.4	-94.2	0	0	0	110.5	V51 F96 E126 M130 W139 S141 M144 P146	V51-Y128 HydrophobicContact CG2-CD1 3.84Å; V51-Y128 HydrophobicContact CG2-CD2 3.47Å; V51-Y128 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y128 HydrophobicContact CG2-CE1 4.03Å; V51-Y128 HydrophobicContact CG2-CE2 3.7Å; V51-Y128 HydrophobicContact CG2-CG 3.52Å; F96-Y128 AromaticContact CD1-CE1 3.95Å; F96-Y128 HydrophobicContact CD1-CE1 3.95Å; F96-Y128 HydrophobicContact CE1-CE1 4.08Å; E126-Y128 VanDerWaalsContact C-N 3.25Å; E126-Y128 PolarHBondContact O-N 2.96Å; Y128-M130 HydrophobicContact CD1-SD 3.86Å; Y128-M130 HydrophobicContact CE1-SD 3.7Å; Y128-W139 WeakPolarHBondContact CA-O 3.5Å; Y128-W139 AromaticContact CD2-CD2 3.88Å; Y128-W139 HydrophobicContact CD2-CD2 3.88Å; Y128-W139 AromaticContact CD2-CE2 3.93Å; Y128-W139 HydrophobicContact CD2-CE3 4.22Å; Y128-W139 HydrophobicContact CD2-CG 4.18Å; Y128-W139 HydrophobicContact CD2-CZ2 4.3Å; Y128-S141 WeakPolarHBondContact OH-CA 3.41Å; Y128-M144 PolarHBondContact OH-O 3.06Å; Y128-P146 WeakPolarHBondContact OH-CD 3.44Å
129	A	98.7	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-87.5	129	-179.5	0	0	0	0	0	111.5	S122 G127 W131 A136 W139 N140 S141	S122-A129 CarbonylContact O-C 3.32Å; G127-A129 PolarHBondContact O-N 2.89Å; A129-W131 HydrophobicContact CB-CD2 4.05Å; A129-W131 HydrophobicContact CB-CE3 3.71Å; A129-W131 HydrophobicContact CB-CH2 3.81Å; A129-W131 HydrophobicContact CB-CZ2 4.15Å; A129-W131 HydrophobicContact CB-CZ3 3.6Å; A129-W131 PolarHBondContact O-N 3.38Å; A129-W131 VanDerWaalsContact O-N 3.15Å; A129-A136 HydrophobicContact CB-CB 3.85Å; A129-W139 PolarHBondContact N-O 2.94Å; A129-W139 VanDerWaalsContact N-O 3.12Å; A129-N140 HydrophobicContact CB-CB 3.83Å; A129-N140 CarbonylContact O-C 3.58Å; A129-N140 WeakPolarHBondContact O-CA 3.38Å; A129-N140 VanDerWaalsContact O-CB 3.25Å; A129-N140 WeakPolarHBondContact O-CB 3.3Å; A129-S141 PolarHBondContact O-N 2.95Å
130	M	98.7	Very high	97.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	-82.8	19.6	-179.6	-63.8	-66.3	-76.1	0	0	113.3	W49 F96 T121 S122 Y128 S141 I150 V151	W49-M130 HydrophobicContact CD2-CE 4.07Å; W49-M130 HydrophobicContact CE3-CE 3.65Å; W49-M130 HydrophobicContact CZ3-CE 4.14Å; F96-M130 HydrophobicContact CE1-CE 3.78Å; F96-M130 HydrophobicContact CE1-SD 3.78Å; F96-M130 HydrophobicContact CZ-CE 3.78Å; F96-M130 HydrophobicContact CZ-SD 4.2Å; T121-M130 WeakPolarHBondContact O-CG 3.41Å; S122-M130 WeakPolarHBondContact O-CB 3.31Å; S122-M130 WeakPolarHBondContact O-CG 3.35Å; S122-M130 PolarHBondContact O-N 2.75Å; Y128-M130 HydrophobicContact CD1-SD 3.86Å; Y128-M130 HydrophobicContact CE1-SD 3.7Å; M130-S141 PolarHBondContact O-OG 3.19Å; M130-I150 HydrophobicContact CE-CB 4.13Å; M130-I150 HydrophobicContact CE-CG1 4.22Å; M130-I150 HydrophobicContact CE-CG2 3.79Å; M130-I150 WeakPolarHBondContact O-CB 3.45Å; M130-I150 PolarHBondContact O-N 2.86Å; M130-V151 HydrophobicContact CB-CG2 3.91Å; M130-V151 WeakPolarHBondContact O-CG2 3.49Å; M130-V151 PolarHBondContact O-N 2.98Å
131	W	98.7	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-147.7	162.3	-177.9	81	92.3	0	0	0	109.5	S122 K123 A129 S133 N140 S141 V151 F169 Q200 E203 I204 Y208	S122-W131 VanDerWaalsContact O-CZ3 3.23Å; S122-W131 WeakPolarHBondContact O-CZ3 3.49Å; K123-W131 HydrophobicContact CB-CH2 4.2Å; K123-W131 HydrophobicContact CB-CZ3 3.91Å; A129-W131 HydrophobicContact CB-CD2 4.05Å; A129-W131 HydrophobicContact CB-CE3 3.71Å; A129-W131 HydrophobicContact CB-CH2 3.81Å; A129-W131 HydrophobicContact CB-CZ2 4.15Å; A129-W131 HydrophobicContact CB-CZ3 3.6Å; A129-W131 PolarHBondContact O-N 3.38Å; A129-W131 VanDerWaalsContact O-N 3.15Å; W131-S133 VanDerWaalsContact CE2-CB 3.5Å; W131-S133 VanDerWaalsContact NE1-CB 3.3Å; W131-S133 PolarHBondContact O-N 2.67Å; W131-N140 VanDerWaalsContact O-CB 3.31Å; W131-N140 WeakPolarHBondContact O-CB 3.18Å; W131-S141 PolarHBondContact N-OG 2.8Å; W131-V151 HydrophobicContact CB-CB 3.9Å; W131-V151 HydrophobicContact CB-CG2 3.97Å; W131-V151 HydrophobicContact CE3-CG2 4.41Å; W131-F169 HydrophobicContact CH2-CD2 4.44Å; W131-F169 HydrophobicContact CH2-CE2 4.09Å; W131-Q200 HydrophobicContact CH2-CB 4.43Å; W131-Q200 HydrophobicContact CZ2-CB 4.08Å; W131-Q200 HydrophobicContact CZ2-CG 4.11Å; W131-E203 PolarHBondContact NE1-OE2 2.73Å; W131-I204 HydrophobicContact CD2-CG2 3.88Å; W131-I204 HydrophobicContact CE3-CG2 4.08Å; W131-I204 HydrophobicContact CH2-CG2 3.74Å; W131-I204 HydrophobicContact CZ2-CG2 3.49Å; W131-I204 VanDerWaalsContact CZ2-CG2 3.49Å; W131-I204 HydrophobicContact CZ3-CG2 4Å; W131-Y208 HydrophobicContact CB-CE2 3.94Å; W131-Y208 WeakPolarHBondContact CB-OH 3.2Å; W131-Y208 AromaticContact CD1-CE2 3.96Å; W131-Y208 AromaticContact CG-CE2 3.96Å; W131-Y208 HydrophobicContact CG-CE2 3.96Å
132	P	98.2	Very high	97.7	Very high	49 Å²	49	34.2 Å²	34.2	32%	0.318	15%	0.154	S	C	.	.			trans	-71.3	65.3	-178.4	30.6	-37.5	0	0	0	112.8	K134 M142 D149	P132-K134 PolarHBondContact O-N 3.24Å; P132-M142 HydrophobicContact CB-CB 3.64Å; P132-M142 HydrophobicContact CB-CE 4.3Å; P132-M142 HydrophobicContact CB-CG 3.95Å; P132-M142 HydrophobicContact CG-CE 4.41Å; P132-D149 WeakPolarHBondContact CD-OD1 3.47Å; P132-D149 HydrophobicContact CG-CB 4.34Å
133	S	98.3	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	17%	0.169	C	C	.	.			trans	-72.7	129.2	-174.2	-169.7	0	0	0	0	112.4	W131 Y135 A136 E203	W131-S133 VanDerWaalsContact CE2-CB 3.5Å; W131-S133 VanDerWaalsContact NE1-CB 3.3Å; W131-S133 PolarHBondContact O-N 2.67Å; S133-Y135 PolarHBondContact O-N 2.76Å; S133-Y135 PolarHBondContact OG-N 2.84Å; S133-A136 PolarHBondContact O-N 2.75Å; S133-E203 WeakPolarHBondContact CA-OE2 3.37Å; S133-E203 WeakPolarHBondContact CB-OE2 3.33Å; S133-E203 PolarHBondContact OG-OE2 2.78Å
134	K	97.3	Very high	97.6	Very high	168 Å²	168	39.4 Å²	39.4	73%	0.73	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.8	172.1	-64.3	175.6	-175.5	174.1	0	113.1	P132 E203	P132-K134 PolarHBondContact O-N 3.24Å; K134-E203 PolarHBondContact N-OE1 2.72Å
135	Y	97.5	Very high	97.5	Very high	103 Å²	103	40 Å²	40	40%	0.404	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	0.5	-172.2	-53.8	-78.3	0	0	0	112.9	S133 K195 P199 Q200	S133-Y135 PolarHBondContact O-N 2.76Å; S133-Y135 PolarHBondContact OG-N 2.84Å; Y135-K195 WeakPolarHBondContact CD1-O 3.45Å; Y135-P199 HydrophobicContact CD1-CB 3.71Å; Y135-P199 HydrophobicContact CD1-CG 4.25Å; Y135-P199 HydrophobicContact CD2-CB 3.69Å; Y135-P199 HydrophobicContact CE1-CB 3.4Å; Y135-P199 HydrophobicContact CE1-CG 3.99Å; Y135-P199 HydrophobicContact CE2-CB 3.38Å; Y135-P199 HydrophobicContact CG-CB 3.85Å; Y135-Q200 HydrophobicContact CD2-CG 4.25Å; Y135-Q200 HydrophobicContact CG-CG 4.31Å; Y135-Q200 PolarHBondContact O-NE2 3.01Å
136	A	96.5	Very high	97.5	Very high	11 Å²	11	40.6 Å²	40.6	9%	0.091	19%	0.192	C	C	.	.	S	Bend	trans	-125.3	45.7	169.3	0	0	0	0	0	110	A129 S133 N138 W139 N140	A129-A136 HydrophobicContact CB-CB 3.85Å; S133-A136 PolarHBondContact O-N 2.75Å; A136-N138 PolarHBondContact O-N 2.82Å; A136-W139 CarbonylContact O-C 3.37Å; A136-W139 PolarHBondContact O-N 2.76Å; A136-N140 HydrophobicContact CB-CB 4.49Å; A136-N140 PolarHBondContact O-ND2 3.39Å
137	W	90.6	Very high	97.5	Very high	191 Å²	191	46.3 Å²	46.3	72%	0.723	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	132.8	-177.8	-178.4	71.4	0	0	0	111.6	W139	W137-W139 PolarHBondContact O-N 3.27Å; W137-W139 VanDerWaalsContact O-N 3.12Å
138	N	95.8	Very high	97.5	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.374	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	3.2	-173	-68.5	-13.5	0	0	0	116.6	A136 D143 M144	A136-N138 PolarHBondContact O-N 2.82Å; N138-D143 PolarHBondContact N-OD2 2.8Å; N138-M144 WeakPolarHBondContact O-CE 3.37Å
139	W	97.9	Very high	97.5	Very high	38 Å²	38	51.1 Å²	51.1	14%	0.144	24%	0.239	C	C	.	.	S	Bend	trans	-130.5	50	176.6	-162.3	-117.8	0	0	0	110.2	V51 Y89 A90 E126 G127 Y128 A129 A136 W137 M144 F175	V51-W139 HydrophobicContact CG1-CH2 4.31Å; V51-W139 HydrophobicContact CG2-CH2 4.43Å; Y89-W139 HydrophobicContact CD1-CH2 4.24Å; Y89-W139 HydrophobicContact CD1-CZ2 4.07Å; Y89-W139 HydrophobicContact CE1-CH2 4.48Å; Y89-W139 HydrophobicContact CE1-CZ2 4.05Å; A90-W139 HydrophobicContact CB-CH2 4.47Å; A90-W139 HydrophobicContact CB-CZ3 4.21Å; E126-W139 PolarHBondContact O-NE1 3.4Å; G127-W139 VanDerWaalsContact C-CD1 3.45Å; Y128-W139 WeakPolarHBondContact CA-O 3.5Å; Y128-W139 AromaticContact CD2-CD2 3.88Å; Y128-W139 HydrophobicContact CD2-CD2 3.88Å; Y128-W139 AromaticContact CD2-CE2 3.93Å; Y128-W139 HydrophobicContact CD2-CE3 4.22Å; Y128-W139 HydrophobicContact CD2-CG 4.18Å; Y128-W139 HydrophobicContact CD2-CZ2 4.3Å; A129-W139 PolarHBondContact N-O 2.94Å; A129-W139 VanDerWaalsContact N-O 3.12Å; A136-W139 CarbonylContact O-C 3.37Å; A136-W139 PolarHBondContact O-N 2.76Å; W137-W139 PolarHBondContact O-N 3.27Å; W137-W139 VanDerWaalsContact O-N 3.12Å; W139-M144 HydrophobicContact CE3-SD 4.07Å; W139-M144 HydrophobicContact CZ3-SD 3.91Å; W139-F175 HydrophobicContact CZ2-CZ 4.17Å
140	N	98.5	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-146.7	165.2	177.5	71.2	71	0	0	0	111.7	A129 W131 A136 M142 D143 M144	A129-N140 HydrophobicContact CB-CB 3.83Å; A129-N140 CarbonylContact O-C 3.58Å; A129-N140 WeakPolarHBondContact O-CA 3.38Å; A129-N140 VanDerWaalsContact O-CB 3.25Å; A129-N140 WeakPolarHBondContact O-CB 3.3Å; W131-N140 VanDerWaalsContact O-CB 3.31Å; W131-N140 WeakPolarHBondContact O-CB 3.18Å; A136-N140 HydrophobicContact CB-CB 4.49Å; A136-N140 PolarHBondContact O-ND2 3.39Å; N140-M142 VanDerWaalsContact C-N 3.26Å; N140-M142 PolarHBondContact O-N 3.17Å; N140-M142 WeakPolarHBondContact OD1-CB 3.31Å; N140-M142 PolarHBondContact OD1-N 2.98Å; N140-D143 VanDerWaalsContact ND2-CG 3.3Å; N140-D143 PolarHBondContact ND2-OD2 2.72Å; N140-D143 PolarHBondContact O-N 3.2Å; N140-D143 PolarHBondContact OD1-N 2.69Å; N140-M144 PolarHBondContact O-N 3.37Å; N140-M144 VanDerWaalsContact O-O 3.09Å
141	S	98.5	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.9	-172.2	71.6	0	0	0	0	115.7	Y128 A129 M130 W131 P146 H147 R148	Y128-S141 WeakPolarHBondContact OH-CA 3.41Å; A129-S141 PolarHBondContact O-N 2.95Å; M130-S141 PolarHBondContact O-OG 3.19Å; W131-S141 PolarHBondContact N-OG 2.8Å; S141-P146 WeakPolarHBondContact O-CD 3.4Å; S141-P146 WeakPolarHBondContact O-CG 3.46Å; S141-H147 CarbonylContact O-C 3.41Å; S141-H147 VanDerWaalsContact O-CA 3.24Å; S141-H147 WeakPolarHBondContact O-CA 3.41Å; S141-H147 PolarHBondContact O-N 2.84Å; S141-R148 CarbonylContact C-O 3.58Å; S141-R148 VanDerWaalsContact C-O 3.29Å; S141-R148 WeakPolarHBondContact CB-O 3.16Å; S141-R148 PolarHBondContact O-N 2.98Å; S141-R148 PolarHBondContact OG-O 3.04Å
142	M	98	Very high	97.5	Very high	71 Å²	71	51.3 Å²	51.3	35%	0.35	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-42.8	173	-174.7	65.8	73.5	0	0	111.2	P132 N140 H147 D149	P132-M142 HydrophobicContact CB-CB 3.64Å; P132-M142 HydrophobicContact CB-CE 4.3Å; P132-M142 HydrophobicContact CB-CG 3.95Å; P132-M142 HydrophobicContact CG-CE 4.41Å; N140-M142 VanDerWaalsContact C-N 3.26Å; N140-M142 PolarHBondContact O-N 3.17Å; N140-M142 WeakPolarHBondContact OD1-CB 3.31Å; N140-M142 PolarHBondContact OD1-N 2.98Å; M142-H147 WeakPolarHBondContact O-CA 3.5Å; M142-H147 PolarHBondContact O-ND1 3.27Å; M142-D149 HydrophobicContact CE-CB 3.97Å
143	D	97.8	Very high	97.5	Very high	61 Å²	61	51.4 Å²	51.4	33%	0.326	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-31.5	-175.8	-66.1	-14.5	0	0	0	112.5	N138 N140 H147	N138-D143 PolarHBondContact N-OD2 2.8Å; N140-D143 VanDerWaalsContact ND2-CG 3.3Å; N140-D143 PolarHBondContact ND2-OD2 2.72Å; N140-D143 PolarHBondContact O-N 3.2Å; N140-D143 PolarHBondContact OD1-N 2.69Å; D143-H147 PolarHBondContact O-CE1 3.02Å; D143-H147 VanDerWaalsContact O-CE1 3.31Å
144	M	96.9	Very high	97.6	Very high	48 Å²	48	51.2 Å²	51.2	24%	0.236	24%	0.236	C	C	.	.	S	Bend	trans	-144.7	140	-174.4	-178.9	177.6	-66.4	0	0	112.2	P94 Y128 N138 W139 N140 P146	P94-M144 HydrophobicContact CG-CG 4.26Å; P94-M144 HydrophobicContact CG-SD 4.21Å; Y128-M144 PolarHBondContact OH-O 3.06Å; N138-M144 WeakPolarHBondContact O-CE 3.37Å; W139-M144 HydrophobicContact CE3-SD 4.07Å; W139-M144 HydrophobicContact CZ3-SD 3.91Å; N140-M144 PolarHBondContact O-N 3.37Å; N140-M144 VanDerWaalsContact O-O 3.09Å; M144-P146 VanDerWaalsContact O-CD 3.27Å; M144-P146 WeakPolarHBondContact O-CD 3.36Å
145	G	97.8	Very high	97.6	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	21%	0.21	C	C	.	.	S	Bend	trans	91.6	-107.5	178.4	0	0	0	0	0	110.6	G93 F96 H147	G93-G145 WeakPolarHBondContact O-CA 3.41Å; F96-G145 CarbonylContact O-C 3.53Å; F96-G145 WeakPolarHBondContact O-CA 3.47Å; G145-H147 PolarHBondContact O-CD2 3.12Å; G145-H147 PolarHBondContact O-N 2.76Å
146	P	97.7	Very high	97.7	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.104	21%	0.213	C	C	.	.	S	Bend	trans	-81.7	-12.9	-169.9	33.4	-35.2	0	0	0	114.3	F96 C98 Y128 S141 M144 R148 I150	F96-P146 HydrophobicContact CD1-CG 4.47Å; F96-P146 VanDerWaalsContact O-CD 3.27Å; F96-P146 WeakPolarHBondContact O-CD 3.47Å; C98-P146 HydrophobicContact CB-CB 3.67Å; C98-P146 HydrophobicContact CB-CG 4.48Å; Y128-P146 WeakPolarHBondContact OH-CD 3.44Å; S141-P146 WeakPolarHBondContact O-CD 3.4Å; S141-P146 WeakPolarHBondContact O-CG 3.46Å; M144-P146 VanDerWaalsContact O-CD 3.27Å; M144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 HydrophobicContact CB-CB 4.46Å; P146-R148 WeakPolarHBondContact O-CG 3.26Å; P146-R148 PolarHBondContact O-N 2.67Å; P146-I150 HydrophobicContact CG-CD1 4.33Å; P146-I150 HydrophobicContact CG-CG1 4.35Å
147	H	98	Very high	97.8	Very high	123 Å²	123	44.6 Å²	44.6	57%	0.569	21%	0.21	S	C	*	.			trans	54.5	44	-175.5	-60.3	-66.9	0	0	0	113.6	S141 M142 D143 G145	S141-H147 CarbonylContact O-C 3.41Å; S141-H147 VanDerWaalsContact O-CA 3.24Å; S141-H147 WeakPolarHBondContact O-CA 3.41Å; S141-H147 PolarHBondContact O-N 2.84Å; M142-H147 WeakPolarHBondContact O-CA 3.5Å; M142-H147 PolarHBondContact O-ND1 3.27Å; D143-H147 PolarHBondContact O-CE1 3.02Å; D143-H147 VanDerWaalsContact O-CE1 3.31Å; G145-H147 PolarHBondContact O-CD2 3.12Å; G145-H147 PolarHBondContact O-N 2.76Å
148	R	98	Very high	98.2	Very high	67 Å²	67	35.5 Å²	35.5	25%	0.253	18%	0.176	S	C	.	.	S	Bend	trans	-139.7	148	-173.3	-72	171.2	78.8	171.8	4.8	111.6	F101 S141 P146 I150 E153	F101-R148 PolarHBondContact O-NH1 3.24Å; F101-R148 PolarHBondContact O-NH2 3.27Å; S141-R148 CarbonylContact C-O 3.58Å; S141-R148 VanDerWaalsContact C-O 3.29Å; S141-R148 WeakPolarHBondContact CB-O 3.16Å; S141-R148 PolarHBondContact O-N 2.98Å; S141-R148 PolarHBondContact OG-O 3.04Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 HydrophobicContact CB-CB 4.46Å; P146-R148 WeakPolarHBondContact O-CG 3.26Å; P146-R148 PolarHBondContact O-N 2.67Å; R148-I150 HydrophobicContact CB-CD1 3.84Å; R148-I150 HydrophobicContact CB-CG1 4.45Å; R148-I150 PolarHBondContact O-N 3.39Å; R148-E153 IonicContact CZ-OE1 2.78Å; R148-E153 IonicContact CZ-OE2 3.65Å; R148-E153 IonicContact NE-OE1 3.95Å; R148-E153 PolarHBondContact NE-OE1 3.35Å; R148-E153 IonicContact NE-OE2 3.68Å; R148-E153 IonicContact NH2-OE1 3.72Å; R148-E153 PolarHBondContact NH2-OE1 2.91Å; R148-E153 IonicContact NH2-OE2 2.75Å; R148-E153 PolarHBondContact NH2-OE2 3.25Å
149	D	98.4	Very high	98.3	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	17%	0.17	C	C	.	.			trans	-82.7	83.9	165.7	-177.3	1.3	0	0	0	109.2	P132 M142 V151 G152 E153 Y208	P132-D149 WeakPolarHBondContact CD-OD1 3.47Å; P132-D149 HydrophobicContact CG-CB 4.34Å; M142-D149 HydrophobicContact CE-CB 3.97Å; D149-V151 VanDerWaalsContact C-N 3.33Å; D149-V151 PolarHBondContact O-N 3.45Å; D149-G152 PolarHBondContact O-N 3.44Å; D149-G152 PolarHBondContact OD1-N 3.38Å; D149-E153 WeakPolarHBondContact O-CB 3.28Å; D149-E153 WeakPolarHBondContact O-CG 3.29Å; D149-E153 PolarHBondContact O-N 3.01Å; D149-Y208 VanDerWaalsContact CG-OH 3.25Å; D149-Y208 PolarHBondContact OD1-OH 3.27Å; D149-Y208 VanDerWaalsContact OD1-OH 3.07Å; D149-Y208 WeakPolarHBondContact OD2-CE1 3.47Å; D149-Y208 PolarHBondContact OD2-OH 3.41Å
150	I	98.7	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-41.6	-175.1	-58.4	-64.1	0	0	0	111.1	W49 F101 M130 P146 R148 E153 L154	W49-I150 HydrophobicContact CE3-CG2 4.11Å; W49-I150 HydrophobicContact CZ3-CD1 4.47Å; W49-I150 HydrophobicContact CZ3-CG2 3.61Å; F101-I150 HydrophobicContact CD1-CD1 3.57Å; F101-I150 HydrophobicContact CE1-CD1 3.47Å; F101-I150 VanDerWaalsContact CE1-CD1 3.47Å; F101-I150 HydrophobicContact CE1-CG2 4.32Å; F101-I150 HydrophobicContact CZ-CD1 4.34Å; F101-I150 HydrophobicContact CZ-CG2 4.18Å; M130-I150 HydrophobicContact CE-CB 4.13Å; M130-I150 HydrophobicContact CE-CG1 4.22Å; M130-I150 HydrophobicContact CE-CG2 3.79Å; M130-I150 WeakPolarHBondContact O-CB 3.45Å; M130-I150 PolarHBondContact O-N 2.86Å; P146-I150 HydrophobicContact CG-CD1 4.33Å; P146-I150 HydrophobicContact CG-CG1 4.35Å; R148-I150 HydrophobicContact CB-CD1 3.84Å; R148-I150 HydrophobicContact CB-CG1 4.45Å; R148-I150 PolarHBondContact O-N 3.39Å; I150-E153 PolarHBondContact O-N 3.42Å; I150-L154 HydrophobicContact CG2-CD1 3.98Å; I150-L154 WeakPolarHBondContact O-CB 3.37Å; I150-L154 PolarHBondContact O-N 2.91Å
151	V	98.9	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-51.1	176.1	169.4	0	0	0	0	110.6	L120 M130 W131 D149 E153 L154 E155 F165 L167 Y208	L120-V151 HydrophobicContact CD2-CG2 3.97Å; M130-V151 HydrophobicContact CB-CG2 3.91Å; M130-V151 WeakPolarHBondContact O-CG2 3.49Å; M130-V151 PolarHBondContact O-N 2.98Å; W131-V151 HydrophobicContact CB-CB 3.9Å; W131-V151 HydrophobicContact CB-CG2 3.97Å; W131-V151 HydrophobicContact CE3-CG2 4.41Å; D149-V151 VanDerWaalsContact C-N 3.33Å; D149-V151 PolarHBondContact O-N 3.45Å; V151-E153 PolarHBondContact O-N 3.3Å; V151-L154 PolarHBondContact O-N 3.45Å; V151-E155 VanDerWaalsContact O-CB 3.24Å; V151-E155 WeakPolarHBondContact O-CB 3.39Å; V151-E155 PolarHBondContact O-N 3.18Å; V151-F165 HydrophobicContact CG1-CE1 4.35Å; V151-F165 HydrophobicContact CG1-CZ 4.22Å; V151-L167 HydrophobicContact CG1-CD1 3.95Å; V151-L167 HydrophobicContact CG1-CD2 3.81Å; V151-L167 HydrophobicContact CG2-CD2 4.21Å; V151-Y208 HydrophobicContact CB-CE1 4.4Å; V151-Y208 HydrophobicContact CB-CE2 4.29Å; V151-Y208 HydrophobicContact CG1-CD1 3.71Å; V151-Y208 HydrophobicContact CG1-CD2 3.47Å; V151-Y208 VanDerWaalsContact CG1-CD2 3.47Å; V151-Y208 HydrophobicContact CG1-CE1 3.87Å; V151-Y208 HydrophobicContact CG1-CE2 3.66Å; V151-Y208 HydrophobicContact CG1-CG 3.51Å
152	G	98.8	Very high	98.3	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-39.3	-179.7	0	0	0	0	0	113.5	D149 Q156	D149-G152 PolarHBondContact O-N 3.44Å; D149-G152 PolarHBondContact OD1-N 3.38Å; G152-Q156 WeakPolarHBondContact O-CG 3.2Å; G152-Q156 PolarHBondContact O-N 3.17Å
153	E	98.7	Very high	98.4	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-40.4	177.5	-73.4	-169.4	-119.7	0	0	113.1	F101 S103 R148 D149 I150 V151 S157	F101-E153 HydrophobicContact CE1-CB 4.47Å; S103-E153 WeakPolarHBondContact CB-O 3.5Å; R148-E153 IonicContact CZ-OE1 2.78Å; R148-E153 IonicContact CZ-OE2 3.65Å; R148-E153 IonicContact NE-OE1 3.95Å; R148-E153 PolarHBondContact NE-OE1 3.35Å; R148-E153 IonicContact NE-OE2 3.68Å; R148-E153 IonicContact NH2-OE1 3.72Å; R148-E153 PolarHBondContact NH2-OE1 2.91Å; R148-E153 IonicContact NH2-OE2 2.75Å; R148-E153 PolarHBondContact NH2-OE2 3.25Å; D149-E153 WeakPolarHBondContact O-CB 3.28Å; D149-E153 WeakPolarHBondContact O-CG 3.29Å; D149-E153 PolarHBondContact O-N 3.01Å; I150-E153 PolarHBondContact O-N 3.42Å; V151-E153 PolarHBondContact O-N 3.3Å; E153-S157 WeakPolarHBondContact O-CB 3.4Å; E153-S157 PolarHBondContact O-N 2.99Å; E153-S157 PolarHBondContact O-OG 3.25Å; E153-S157 VanDerWaalsContact O-OG 3.04Å
154	L	98.7	Very high	98.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.5	-41.1	175.7	-79.2	170.2	0	0	0	111.8	F101 F106 L120 I150 V151 Q156 S157 I158 F165	F101-L154 HydrophobicContact CE2-CD1 4.38Å; F101-L154 HydrophobicContact CE2-CD2 4.05Å; F101-L154 HydrophobicContact CE2-CG 4.16Å; F101-L154 HydrophobicContact CZ-CD1 4.36Å; F101-L154 HydrophobicContact CZ-CD2 4.2Å; F101-L154 HydrophobicContact CZ-CG 3.92Å; F106-L154 HydrophobicContact CB-CD2 3.85Å; F106-L154 HydrophobicContact CD1-CD2 4.23Å; F106-L154 HydrophobicContact CG-CD2 4.39Å; L120-L154 HydrophobicContact CD1-CD1 4.19Å; L120-L154 HydrophobicContact CD2-CD1 3.68Å; L120-L154 HydrophobicContact CG-CD1 4.5Å; I150-L154 HydrophobicContact CG2-CD1 3.98Å; I150-L154 WeakPolarHBondContact O-CB 3.37Å; I150-L154 PolarHBondContact O-N 2.91Å; V151-L154 PolarHBondContact O-N 3.45Å; L154-Q156 PolarHBondContact O-N 2.84Å; L154-S157 PolarHBondContact O-N 3Å; L154-I158 VanDerWaalsContact O-CB 3.25Å; L154-I158 WeakPolarHBondContact O-CB 3.1Å; L154-I158 WeakPolarHBondContact O-CG1 3.41Å; L154-I158 PolarHBondContact O-N 2.89Å; L154-F165 HydrophobicContact CB-CE2 4.21Å
155	E	98.7	Very high	98.5	Very high	39 Å²	39	44.4 Å²	44.4	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-51.9	-54	175.8	-178.9	-88	156.9	0	0	110.9	V151 S157 R159 F165	V151-E155 VanDerWaalsContact O-CB 3.24Å; V151-E155 WeakPolarHBondContact O-CB 3.39Å; V151-E155 PolarHBondContact O-N 3.18Å; E155-S157 PolarHBondContact O-N 2.91Å; E155-R159 WeakPolarHBondContact O-CB 3.4Å; E155-R159 WeakPolarHBondContact O-CG 3.24Å; E155-R159 PolarHBondContact O-N 3.31Å; E155-R159 WeakPolarHBondContact OE1-CD 3.24Å; E155-R159 IonicContact OE1-CZ 3.4Å; E155-R159 IonicContact OE1-NE 2.72Å; E155-R159 PolarHBondContact OE1-NE 3.25Å; E155-F165 HydrophobicContact CB-CD1 3.92Å; E155-F165 HydrophobicContact CB-CD2 4.28Å; E155-F165 HydrophobicContact CB-CE1 3.63Å; E155-F165 HydrophobicContact CB-CE2 4.03Å; E155-F165 HydrophobicContact CB-CG 4.22Å; E155-F165 HydrophobicContact CB-CZ 3.69Å; E155-F165 HydrophobicContact CG-CD1 3.72Å; E155-F165 HydrophobicContact CG-CE1 3.85Å; E155-F165 HydrophobicContact CG-CG 4.15Å; E155-F165 HydrophobicContact CG-CZ 4.4Å
156	Q	98.8	Very high	98.6	Very high	99 Å²	99	43.7 Å²	43.7	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-60.6	-43.3	179	-68.5	177.5	32.7	0	0	112.5	G152 L154 R160	G152-Q156 WeakPolarHBondContact O-CG 3.2Å; G152-Q156 PolarHBondContact O-N 3.17Å; L154-Q156 PolarHBondContact O-N 2.84Å; Q156-R160 WeakPolarHBondContact O-CG 3.49Å; Q156-R160 PolarHBondContact O-N 3.03Å
157	S	98.7	Very high	98.6	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-73.2	-40.3	-175.7	-63.4	0	0	0	0	112.4	S103 A107 E153 L154 E155 R160	S103-S157 VanDerWaalsContact O-CB 3.3Å; S103-S157 WeakPolarHBondContact O-CB 3.25Å; S103-S157 PolarHBondContact OG-OG 3.4Å; A107-S157 VanDerWaalsContact CB-C 3.5Å; A107-S157 WeakPolarHBondContact CB-O 3.3Å; E153-S157 WeakPolarHBondContact O-CB 3.4Å; E153-S157 PolarHBondContact O-N 2.99Å; E153-S157 PolarHBondContact O-OG 3.25Å; E153-S157 VanDerWaalsContact O-OG 3.04Å; L154-S157 PolarHBondContact O-N 3Å; E155-S157 PolarHBondContact O-N 2.91Å; S157-R160 PolarHBondContact O-N 3.22Å
158	I	98.8	Very high	98.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-45.6	178.3	-68.6	-71.7	0	0	0	110.7	A107 I110 F118 L154 R160 E161 I163 F165	A107-I158 HydrophobicContact CB-CD1 3.96Å; A107-I158 HydrophobicContact CB-CG1 4.39Å; I110-I158 HydrophobicContact CB-CD1 4.08Å; I110-I158 HydrophobicContact CG1-CD1 4.01Å; I110-I158 HydrophobicContact CG2-CD1 4.27Å; F118-I158 HydrophobicContact CB-CD1 4.26Å; F118-I158 HydrophobicContact CB-CG2 3.98Å; F118-I158 HydrophobicContact CD1-CD1 4.04Å; F118-I158 HydrophobicContact CD1-CG1 3.86Å; F118-I158 HydrophobicContact CD1-CG2 4.41Å; F118-I158 HydrophobicContact CD2-CD1 4.42Å; F118-I158 HydrophobicContact CE1-CD1 4.49Å; F118-I158 HydrophobicContact CE1-CG1 4.28Å; F118-I158 HydrophobicContact CG-CD1 3.98Å; F118-I158 HydrophobicContact CG-CG1 4.28Å; L154-I158 VanDerWaalsContact O-CB 3.25Å; L154-I158 WeakPolarHBondContact O-CB 3.1Å; L154-I158 WeakPolarHBondContact O-CG1 3.41Å; L154-I158 PolarHBondContact O-N 2.89Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.44Å; I158-E161 PolarHBondContact O-N 3.39Å; I158-I163 HydrophobicContact CG2-CB 3.73Å; I158-I163 HydrophobicContact CG2-CG2 3.76Å; I158-I163 PolarHBondContact O-N 2.92Å; I158-F165 HydrophobicContact CB-CD2 4.07Å; I158-F165 HydrophobicContact CG1-CD2 4.33Å; I158-F165 HydrophobicContact CG2-CB 4.35Å; I158-F165 HydrophobicContact CG2-CD2 4.09Å
159	R	98.6	Very high	98.7	Very high	68 Å²	68	33.9 Å²	33.9	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-63.3	-35.5	178.1	-70.7	-170.7	-167.8	-72.2	0.7	112.6	E155 E161 N162 F165 Y208 K209 D211	E155-R159 WeakPolarHBondContact O-CB 3.4Å; E155-R159 WeakPolarHBondContact O-CG 3.24Å; E155-R159 PolarHBondContact O-N 3.31Å; E155-R159 WeakPolarHBondContact OE1-CD 3.24Å; E155-R159 IonicContact OE1-CZ 3.4Å; E155-R159 IonicContact OE1-NE 2.72Å; E155-R159 PolarHBondContact OE1-NE 3.25Å; R159-E161 PolarHBondContact O-N 3.41Å; R159-E161 VanDerWaalsContact O-N 3.16Å; R159-N162 PolarHBondContact O-N 2.83Å; R159-F165 HydrophobicContact CG-CB 4.24Å; R159-Y208 PolarHBondContact NH2-O 2.98Å; R159-K209 PolarHBondContact NH2-O 2.9Å; R159-D211 IonicContact CZ-OD2 3.85Å; R159-D211 IonicContact NH1-OD1 3.14Å; R159-D211 IonicContact NH1-OD2 2.63Å; R159-D211 PolarHBondContact NH1-OD2 2.85Å; R159-D211 IonicContact NH2-OD2 3.18Å
160	R	98.6	Very high	98.7	Very high	157 Å²	157	32.2 Å²	32.2	59%	0.592	14%	0.144	S	C	*	.	H	α-helix	trans	-59.5	-22.7	173.5	-78.4	172	-174.6	144.7	5.4	113.3	Q156 S157 I158 N162	Q156-R160 WeakPolarHBondContact O-CG 3.49Å; Q156-R160 PolarHBondContact O-N 3.03Å; S157-R160 PolarHBondContact O-N 3.22Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.44Å; R160-N162 VanDerWaalsContact C-N 3.33Å
161	E	98.5	Very high	98.6	Very high	33 Å²	33	32.2 Å²	32.2	15%	0.154	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	7.6	175.3	-57.6	-58.1	148.3	0	0	113.6	A107 K108 K111 I158 R159 I163	A107-E161 HydrophobicContact CB-CG 3.92Å; K108-E161 WeakPolarHBondContact CD-OE1 3.41Å; K108-E161 WeakPolarHBondContact CE-OE1 3.46Å; K108-E161 IonicContact NZ-OE1 4Å; K108-E161 PolarHBondContact NZ-OE1 2.96Å; K108-E161 IonicContact NZ-OE2 3.17Å; K108-E161 PolarHBondContact NZ-OE2 3.28Å; K111-E161 HydrophobicContact CB-CB 4.1Å; K111-E161 HydrophobicContact CB-CG 4.23Å; K111-E161 HydrophobicContact CD-CB 4.21Å; K111-E161 HydrophobicContact CG-CB 4.27Å; K111-E161 PolarHBondContact NZ-O 3.02Å; I158-E161 PolarHBondContact O-N 3.39Å; R159-E161 PolarHBondContact O-N 3.41Å; R159-E161 VanDerWaalsContact O-N 3.16Å; E161-I163 HydrophobicContact CB-CD1 4.01Å; E161-I163 HydrophobicContact CB-CG1 4.15Å
162	N	98	Very high	98.4	Very high	144 Å²	144	32.3 Å²	32.3	77%	0.77	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	47.3	-173.1	-65	-35.7	0	0	0	112.5	R159 R160	R159-N162 PolarHBondContact O-N 2.83Å; R160-N162 VanDerWaalsContact C-N 3.33Å
163	I	98.8	Very high	98.3	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	15%	0.145	C	C	.	.			trans	-117.2	134.9	175.7	-58.4	176.5	0	0	0	107.3	I110 K111 F118 I158 E161	I110-I163 HydrophobicContact CB-CD1 4.48Å; I110-I163 HydrophobicContact CG2-CD1 3.96Å; K111-I163 HydrophobicContact CB-CD1 4.07Å; K111-I163 HydrophobicContact CD-CD1 4.11Å; K111-I163 HydrophobicContact CD-CG1 4.41Å; F118-I163 HydrophobicContact CB-CG2 4.17Å; I158-I163 HydrophobicContact CG2-CB 3.73Å; I158-I163 HydrophobicContact CG2-CG2 3.76Å; I158-I163 PolarHBondContact O-N 2.92Å; E161-I163 HydrophobicContact CB-CD1 4.01Å; E161-I163 HydrophobicContact CB-CG1 4.15Å
164	R	98.8	Very high	98.2	Very high	68 Å²	68	31.2 Å²	31.2	26%	0.257	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139	175.6	-68.1	-79.7	-174.5	175.8	7.5	109.6	W37 K116 Y117 F118 D211 E244	W37-R164 HydrophobicContact CD2-CG 4.15Å; W37-R164 HydrophobicContact CE3-CB 4.28Å; W37-R164 HydrophobicContact CE3-CG 3.73Å; W37-R164 HydrophobicContact CH2-CB 4.1Å; W37-R164 HydrophobicContact CH2-CG 4.34Å; W37-R164 HydrophobicContact CZ3-CB 3.86Å; W37-R164 HydrophobicContact CZ3-CG 3.85Å; K116-R164 PolarHBondContact O-N 3.26Å; Y117-R164 CarbonylContact C-O 3.44Å; Y117-R164 WeakPolarHBondContact CA-O 3.25Å; F118-R164 PolarHBondContact N-O 3Å; R164-D211 WeakPolarHBondContact CA-OD2 3.48Å; R164-D211 HydrophobicContact CB-CB 4.02Å; R164-D211 VanDerWaalsContact CD-OD1 3.22Å; R164-D211 WeakPolarHBondContact CD-OD1 3.13Å; R164-D211 WeakPolarHBondContact CD-OD2 3Å; R164-D211 IonicContact CZ-OD1 3.16Å; R164-D211 IonicContact NE-OD1 2.68Å; R164-D211 IonicContact NH1-OD1 3.74Å; R164-D211 PolarHBondContact NH1-OD1 3.28Å; R164-E244 IonicContact CZ-OE1 2.74Å; R164-E244 IonicContact CZ-OE2 2.69Å; R164-E244 IonicContact NH1-OE1 3.15Å; R164-E244 IonicContact NH1-OE2 2.94Å; R164-E244 PolarHBondContact NH1-OE2 2.81Å; R164-E244 VanDerWaalsContact NH2-CD 3.33Å; R164-E244 IonicContact NH2-OE1 2.78Å; R164-E244 PolarHBondContact NH2-OE1 3.4Å; R164-E244 IonicContact NH2-OE2 2.8Å; R164-E244 PolarHBondContact NH2-OE2 3.5Å
165	F	98.9	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	-172.5	-179.7	-96.9	0	0	0	110.4	F118 V151 L154 E155 I158 R159 L167 P210 D211	F118-F165 AromaticContact CD1-CD2 3.88Å; F118-F165 HydrophobicContact CD1-CD2 3.88Å; F118-F165 AromaticContact CD1-CE2 3.9Å; F118-F165 HydrophobicContact CD1-CE2 3.9Å; F118-F165 HydrophobicContact CE1-CD2 4.45Å; F118-F165 HydrophobicContact CE1-CE2 4.01Å; F118-F165 CarbonylContact O-C 3.36Å; V151-F165 HydrophobicContact CG1-CE1 4.35Å; V151-F165 HydrophobicContact CG1-CZ 4.22Å; L154-F165 HydrophobicContact CB-CE2 4.21Å; E155-F165 HydrophobicContact CB-CD1 3.92Å; E155-F165 HydrophobicContact CB-CD2 4.28Å; E155-F165 HydrophobicContact CB-CE1 3.63Å; E155-F165 HydrophobicContact CB-CE2 4.03Å; E155-F165 HydrophobicContact CB-CG 4.22Å; E155-F165 HydrophobicContact CB-CZ 3.69Å; E155-F165 HydrophobicContact CG-CD1 3.72Å; E155-F165 HydrophobicContact CG-CE1 3.85Å; E155-F165 HydrophobicContact CG-CG 4.15Å; E155-F165 HydrophobicContact CG-CZ 4.4Å; I158-F165 HydrophobicContact CB-CD2 4.07Å; I158-F165 HydrophobicContact CG1-CD2 4.33Å; I158-F165 HydrophobicContact CG2-CB 4.35Å; I158-F165 HydrophobicContact CG2-CD2 4.09Å; R159-F165 HydrophobicContact CG-CB 4.24Å; F165-L167 HydrophobicContact CE1-CD1 4.24Å; F165-L167 HydrophobicContact CE1-CD2 3.59Å; F165-L167 HydrophobicContact CE1-CG 3.81Å; F165-L167 HydrophobicContact CZ-CD2 3.6Å; F165-L167 HydrophobicContact CZ-CG 4.34Å; F165-P210 CarbonylContact O-C 3.59Å; F165-P210 VanDerWaalsContact O-CA 3.25Å; F165-P210 WeakPolarHBondContact O-CA 3.48Å; F165-D211 PolarHBondContact N-OD2 3.2Å; F165-D211 PolarHBondContact O-N 2.95Å
166	G	98.9	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.9	-178	0	0	0	0	0	111.9	F118 V119 L120 V212	F118-G166 WeakPolarHBondContact O-CA 3.42Å; F118-G166 PolarHBondContact O-N 3.19Å; V119-G166 WeakPolarHBondContact CA-O 3.21Å; L120-G166 PolarHBondContact N-O 2.9Å; G166-V212 CarbonylContact C-O 3.47Å; G166-V212 WeakPolarHBondContact CA-O 3.33Å
167	L	98.9	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.4	179.4	-65.3	175.6	0	0	0	109.9	L120 V151 F165 I204 Y208 P210 V212 W214	L120-L167 HydrophobicContact CB-CD2 4.27Å; V151-L167 HydrophobicContact CG1-CD1 3.95Å; V151-L167 HydrophobicContact CG1-CD2 3.81Å; V151-L167 HydrophobicContact CG2-CD2 4.21Å; F165-L167 HydrophobicContact CE1-CD1 4.24Å; F165-L167 HydrophobicContact CE1-CD2 3.59Å; F165-L167 HydrophobicContact CE1-CG 3.81Å; F165-L167 HydrophobicContact CZ-CD2 3.6Å; F165-L167 HydrophobicContact CZ-CG 4.34Å; L167-I204 HydrophobicContact CB-CD1 4.34Å; L167-I204 HydrophobicContact CD1-CB 3.88Å; L167-I204 HydrophobicContact CD1-CD1 4.34Å; L167-I204 HydrophobicContact CD1-CG2 4.48Å; L167-Y208 HydrophobicContact CD1-CD2 4.19Å; L167-Y208 HydrophobicContact CD1-CG 4.5Å; L167-P210 HydrophobicContact CB-CB 4.35Å; L167-P210 HydrophobicContact CD1-CB 4.29Å; L167-P210 HydrophobicContact CD1-CG 4.34Å; L167-P210 HydrophobicContact CG-CB 4.12Å; L167-V212 PolarHBondContact N-O 3.33Å; L167-W214 PolarHBondContact O-N 2.96Å
168	Y	98.8	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.7	165.1	164.3	-76	0	0	0	110.1	F46 L120 T121 S122 K123 H124 H125 W214 D216	F46-Y168 AromaticContact CE2-CD2 3.98Å; F46-Y168 HydrophobicContact CE2-CD2 3.98Å; F46-Y168 HydrophobicContact CE2-CG 4.05Å; F46-Y168 AromaticContact CZ-CD2 3.48Å; F46-Y168 HydrophobicContact CZ-CD2 3.48Å; F46-Y168 VanDerWaalsContact CZ-CD2 3.48Å; F46-Y168 HydrophobicContact CZ-CE2 4.18Å; F46-Y168 HydrophobicContact CZ-CG 4.03Å; L120-Y168 PolarHBondContact O-N 3.38Å; T121-Y168 HydrophobicContact CG2-CD1 3.7Å; T121-Y168 HydrophobicContact CG2-CE1 4.15Å; T121-Y168 HydrophobicContact CG2-CG 4.07Å; S122-Y168 WeakPolarHBondContact CB-O 3.22Å; S122-Y168 PolarHBondContact N-O 2.61Å; S122-Y168 PolarHBondContact OG-O 2.96Å; K123-Y168 WeakPolarHBondContact O-CD1 3.15Å; K123-Y168 WeakPolarHBondContact O-CE1 3.17Å; H124-Y168 HydrophobicContact CB-CE1 4.38Å; H124-Y168 AromaticContact CD2-CE1 3.94Å; H124-Y168 AromaticContact CD2-CZ 3.98Å; H124-Y168 PolarHBondContact CD2-OH 3.41Å; H125-Y168 PolarHBondContact CE1-OH 3.17Å; Y168-W214 CarbonylContact C-O 3.6Å; Y168-W214 WeakPolarHBondContact CA-O 3.3Å; Y168-W214 HydrophobicContact CD2-CD2 4.25Å; Y168-W214 AromaticContact CD2-CE3 3.39Å; Y168-W214 HydrophobicContact CD2-CE3 3.39Å; Y168-W214 AromaticContact CD2-CZ3 3.84Å; Y168-W214 HydrophobicContact CD2-CZ3 3.84Å; Y168-W214 AromaticContact CE2-CE3 3.78Å; Y168-W214 HydrophobicContact CE2-CE3 3.78Å; Y168-W214 AromaticContact CE2-CZ3 3.74Å; Y168-W214 HydrophobicContact CE2-CZ3 3.74Å; Y168-D216 HydrophobicContact CD2-CB 4.2Å; Y168-D216 HydrophobicContact CE2-CB 3.24Å; Y168-D216 WeakPolarHBondContact CE2-OD2 3.36Å; Y168-D216 VanDerWaalsContact CZ-CB 3.42Å; Y168-D216 WeakPolarHBondContact OH-CB 3.45Å; Y168-D216 PolarHBondContact OH-OD2 3.36Å
169	F	98.7	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	119.5	178.3	-171.4	-84.6	0	0	0	110.4	K123 W131 V197 Q200 L201 I204 W214 S215 D216	K123-F169 HydrophobicContact CD-CE2 4.42Å; K123-F169 VanDerWaalsContact CE-CE2 3.41Å; W131-F169 HydrophobicContact CH2-CD2 4.44Å; W131-F169 HydrophobicContact CH2-CE2 4.09Å; F169-V197 HydrophobicContact CE1-CG1 3.99Å; F169-Q200 HydrophobicContact CE2-CB 3.69Å; F169-Q200 HydrophobicContact CZ-CB 3.84Å; F169-Q200 VanDerWaalsContact CZ-OE1 3.3Å; F169-L201 HydrophobicContact CB-CD2 3.95Å; F169-L201 HydrophobicContact CD1-CD2 3.59Å; F169-L201 HydrophobicContact CD1-CG 4Å; F169-L201 HydrophobicContact CD2-CD2 3.97Å; F169-L201 HydrophobicContact CE1-CD1 4.44Å; F169-L201 HydrophobicContact CE1-CD2 4.04Å; F169-L201 HydrophobicContact CE1-CG 3.91Å; F169-L201 HydrophobicContact CE2-CD2 4.35Å; F169-L201 HydrophobicContact CE2-CG 4.4Å; F169-L201 HydrophobicContact CG-CD2 3.55Å; F169-L201 HydrophobicContact CG-CG 4.29Å; F169-L201 HydrophobicContact CZ-CD2 4.38Å; F169-L201 HydrophobicContact CZ-CG 4.1Å; F169-I204 HydrophobicContact CB-CD1 4.36Å; F169-I204 HydrophobicContact CD2-CD1 3.94Å; F169-I204 HydrophobicContact CG-CD1 4.49Å; F169-W214 PolarHBondContact N-O 2.87Å; F169-S215 WeakPolarHBondContact O-CA 3.39Å; F169-D216 PolarHBondContact O-N 3.42Å; F169-D216 VanDerWaalsContact O-N 3.13Å
170	S	98.4	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.3	169.3	-177.1	0	0	0	0	111.9	K123 H125 Y172	K123-S170 WeakPolarHBondContact CE-O 3.25Å; K123-S170 PolarHBondContact NZ-O 3.44Å; K123-S170 PolarHBondContact O-N 2.77Å; H125-S170 PolarHBondContact CE1-OG 2.72Å; H125-S170 WeakPolarHBondContact ND1-CB 3.46Å; H125-S170 PolarHBondContact ND1-OG 2.96Å; S170-Y172 VanDerWaalsContact C-N 3.33Å; S170-Y172 PolarHBondContact O-N 2.97Å; S170-Y172 PolarHBondContact OG-O 2.75Å; S170-Y172 VanDerWaalsContact OG-O 3.11Å
171	L	97.4	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-63.7	-36.2	177.9	-67.5	177.3	0	0	0	112.6	F192 V197 S215 D216 W226	L171-F192 VanDerWaalsContact O-CE1 3.28Å; L171-F192 WeakPolarHBondContact O-CE1 3.37Å; L171-V197 HydrophobicContact CD2-CG1 4.29Å; L171-V197 VanDerWaalsContact O-CG2 3.31Å; L171-V197 WeakPolarHBondContact O-CG2 3.26Å; L171-S215 WeakPolarHBondContact CD1-OG 3.49Å; L171-S215 VanDerWaalsContact CG-OG 3.28Å; L171-S215 WeakPolarHBondContact CG-OG 3.02Å; L171-D216 WeakPolarHBondContact CB-O 3.48Å; L171-D216 WeakPolarHBondContact CG-O 3.46Å; L171-D216 PolarHBondContact N-O 2.82Å; L171-W226 HydrophobicContact CB-CD2 3.98Å; L171-W226 HydrophobicContact CB-CE3 3.76Å; L171-W226 HydrophobicContact CB-CH2 4.21Å; L171-W226 HydrophobicContact CB-CZ2 4.35Å; L171-W226 HydrophobicContact CB-CZ3 3.9Å; L171-W226 HydrophobicContact CD1-CB 4.41Å; L171-W226 HydrophobicContact CD1-CD2 4.02Å; L171-W226 HydrophobicContact CD1-CG 3.91Å; L171-W226 HydrophobicContact CG-CD2 4.48Å; L171-W226 WeakPolarHBondContact O-CZ3 3.2Å
172	Y	93.8	Very high	97.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	16%	0.16	C	C	.	.			trans	-109.2	162.6	-177.5	82.2	-94.7	0	0	0	112.7	H125 S170 W174 Y179 G217 W219	H125-Y172 HydrophobicContact CB-CE2 3.88Å; H125-Y172 AromaticContact CD2-CZ 3.91Å; H125-Y172 PolarHBondContact CD2-OH 2.88Å; H125-Y172 AromaticContact CE1-CE1 3.68Å; H125-Y172 AromaticContact CE1-CZ 3.91Å; H125-Y172 AromaticContact CG-CZ 3.48Å; H125-Y172 VanDerWaalsContact CG-CZ 3.48Å; H125-Y172 AromaticContact ND1-CE1 3.5Å; H125-Y172 WeakPolarHBondContact ND1-CE1 3.26Å; H125-Y172 AromaticContact ND1-CZ 3.46Å; H125-Y172 PolarHBondContact ND1-OH 3.47Å; S170-Y172 VanDerWaalsContact C-N 3.33Å; S170-Y172 PolarHBondContact O-N 2.97Å; S170-Y172 PolarHBondContact OG-O 2.75Å; S170-Y172 VanDerWaalsContact OG-O 3.11Å; Y172-W174 AromaticContact CE2-CD1 3.42Å; Y172-W174 VanDerWaalsContact CE2-CD1 3.42Å; Y172-W174 HydrophobicContact CE2-CG 4.04Å; Y172-W174 AromaticContact CE2-NE1 3.49Å; Y172-W174 AromaticContact CZ-NE1 3.81Å; Y172-W174 PolarHBondContact OH-NE1 2.86Å; Y172-Y179 HydrophobicContact CD2-CE1 4.12Å; Y172-Y179 HydrophobicContact CG-CE1 4.49Å; Y172-G217 VanDerWaalsContact CD1-CA 3.48Å; Y172-G217 VanDerWaalsContact CE1-CA 3.5Å; Y172-W219 HydrophobicContact CD1-CZ2 4.48Å; Y172-W219 AromaticContact CE1-CE2 3.9Å; Y172-W219 AromaticContact CE1-CH2 3.74Å; Y172-W219 HydrophobicContact CE1-CH2 3.74Å; Y172-W219 AromaticContact CE1-CZ2 3.32Å; Y172-W219 HydrophobicContact CE1-CZ2 3.32Å; Y172-W219 AromaticContact CZ-CZ2 3.66Å; Y172-W219 VanDerWaalsContact OH-CZ2 3.27Å; Y172-W219 WeakPolarHBondContact OH-CZ2 3.35Å
173	E	96.9	Very high	97.6	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.056	14%	0.142	C	C	.	.			trans	-133.7	117.8	176.4	-72.1	175.3	-157.1	0	0	109.7	K123 H125 F175 N176 Y179 F192	K123-E173 WeakPolarHBondContact CD-OE1 3.27Å; K123-E173 IonicContact NZ-OE1 2.84Å; K123-E173 PolarHBondContact NZ-OE1 2.87Å; H125-E173 CarbonylContact O-C 3.5Å; H125-E173 VanDerWaalsContact O-CA 3.31Å; H125-E173 WeakPolarHBondContact O-CA 3.19Å; E173-F175 PolarHBondContact O-N 2.87Å; E173-N176 HydrophobicContact CB-CB 3.58Å; E173-N176 HydrophobicContact CG-CB 4.48Å; E173-N176 PolarHBondContact O-N 2.7Å; E173-N176 VanDerWaalsContact OE2-CB 3.26Å; E173-N176 WeakPolarHBondContact OE2-CB 3.32Å; E173-N176 PolarHBondContact OE2-ND2 2.85Å; E173-Y179 WeakPolarHBondContact O-CD1 3.34Å; E173-F192 HydrophobicContact CB-CE2 4.29Å; E173-F192 HydrophobicContact CB-CZ 3.97Å; E173-F192 HydrophobicContact CG-CE2 4.23Å; E173-F192 HydrophobicContact CG-CZ 3.82Å
174	W	96.4	Very high	97.5	Very high	23 Å²	23	32.8 Å²	32.8	9%	0.087	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.2	-170.5	-76.1	-50.3	0	0	0	114.6	V61 W62 W64 Y65 H125 E126 Y172	V61-W174 VanDerWaalsContact O-CH2 3.3Å; V61-W174 WeakPolarHBondContact O-CH2 3.44Å; W62-W174 HydrophobicContact CD2-CH2 4.39Å; W62-W174 AromaticContact CD2-CZ2 3.79Å; W62-W174 HydrophobicContact CD2-CZ2 3.79Å; W62-W174 HydrophobicContact CE3-CH2 4.47Å; W62-W174 AromaticContact CE3-CZ2 3.57Å; W62-W174 HydrophobicContact CE3-CZ2 3.57Å; W62-W174 HydrophobicContact CG-CH2 4.49Å; W62-W174 HydrophobicContact CG-CZ2 4.34Å; W62-W174 HydrophobicContact CH2-CZ2 4.43Å; W62-W174 AromaticContact CZ3-CZ2 3.92Å; W62-W174 HydrophobicContact CZ3-CZ2 3.92Å; W62-W174 AromaticContact CZ3-NE1 3.99Å; W64-W174 HydrophobicContact CB-CE3 3.82Å; W64-W174 HydrophobicContact CB-CZ3 3.91Å; W64-W174 HydrophobicContact CD2-CB 4.27Å; W64-W174 HydrophobicContact CD2-CE3 4.24Å; W64-W174 HydrophobicContact CE3-CB 3.47Å; W64-W174 VanDerWaalsContact CE3-CB 3.47Å; W64-W174 AromaticContact CE3-CD2 3.81Å; W64-W174 HydrophobicContact CE3-CD2 3.81Å; W64-W174 AromaticContact CE3-CE3 3.85Å; W64-W174 HydrophobicContact CE3-CE3 3.85Å; W64-W174 AromaticContact CE3-CG 3.67Å; W64-W174 HydrophobicContact CE3-CG 3.67Å; W64-W174 HydrophobicContact CG-CE3 4.23Å; W64-W174 HydrophobicContact CH2-CB 4.07Å; W64-W174 HydrophobicContact CZ3-CB 3.39Å; W64-W174 HydrophobicContact CZ3-CD2 4.44Å; W64-W174 AromaticContact CZ3-CG 3.84Å; W64-W174 HydrophobicContact CZ3-CG 3.84Å; Y65-W174 AromaticContact CD2-CD1 3.72Å; Y65-W174 HydrophobicContact CD2-CG 4.49Å; Y65-W174 AromaticContact CD2-NE1 3.6Å; Y65-W174 AromaticContact CG-NE1 4Å; H125-W174 HydrophobicContact CB-CD2 3.68Å; H125-W174 VanDerWaalsContact CB-CE2 3.44Å; H125-W174 HydrophobicContact CB-CE3 3.85Å; H125-W174 HydrophobicContact CB-CG 4.41Å; H125-W174 HydrophobicContact CB-CH2 3.53Å; H125-W174 HydrophobicContact CB-CZ2 3.38Å; H125-W174 HydrophobicContact CB-CZ3 3.79Å; H125-W174 AromaticContact CD2-CZ2 3.67Å; H125-W174 AromaticContact CG-CZ2 3.89Å; H125-W174 PolarHBondContact O-N 2.65Å; E126-W174 HydrophobicContact CB-CE3 4.07Å; E126-W174 HydrophobicContact CB-CZ3 4.03Å; Y172-W174 AromaticContact CE2-CD1 3.42Å; Y172-W174 VanDerWaalsContact CE2-CD1 3.42Å; Y172-W174 HydrophobicContact CE2-CG 4.04Å; Y172-W174 AromaticContact CE2-NE1 3.49Å; Y172-W174 AromaticContact CZ-NE1 3.81Å; Y172-W174 PolarHBondContact OH-NE1 2.86Å
175	F	95.5	Very high	97.5	Very high	69 Å²	69	32.9 Å²	32.9	30%	0.303	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	15.9	-172.2	53.6	-94.4	0	0	0	114.4	W64 Y89 E126 W139 E173 S177	W64-F175 AromaticContact CD1-CD1 3.68Å; W64-F175 AromaticContact CD1-CE1 3.45Å; W64-F175 VanDerWaalsContact CD1-CE1 3.45Å; W64-F175 AromaticContact CD2-CD1 3.55Å; W64-F175 HydrophobicContact CD2-CD1 3.55Å; W64-F175 AromaticContact CD2-CE1 3.91Å; W64-F175 HydrophobicContact CD2-CE1 3.91Å; W64-F175 AromaticContact CE2-CD1 3.21Å; W64-F175 AromaticContact CE2-CE1 3.85Å; W64-F175 AromaticContact CE2-CG 3.94Å; W64-F175 HydrophobicContact CE3-CD1 4.13Å; W64-F175 AromaticContact CG-CD1 3.9Å; W64-F175 HydrophobicContact CG-CD1 3.9Å; W64-F175 AromaticContact CG-CE1 3.74Å; W64-F175 HydrophobicContact CG-CE1 3.74Å; W64-F175 HydrophobicContact CH2-CB 4.04Å; W64-F175 HydrophobicContact CH2-CD1 4.21Å; W64-F175 HydrophobicContact CZ2-CB 3.57Å; W64-F175 AromaticContact CZ2-CD1 3.6Å; W64-F175 HydrophobicContact CZ2-CD1 3.6Å; W64-F175 AromaticContact CZ2-CG 3.94Å; W64-F175 HydrophobicContact CZ2-CG 3.94Å; W64-F175 HydrophobicContact CZ3-CD1 4.46Å; W64-F175 AromaticContact NE1-CD1 3.26Å; W64-F175 VanDerWaalsContact NE1-CD1 3.26Å; W64-F175 AromaticContact NE1-CE1 3.51Å; W64-F175 AromaticContact NE1-CG 3.95Å; Y89-F175 HydrophobicContact CD1-CE1 4.38Å; Y89-F175 HydrophobicContact CD1-CZ 4.19Å; Y89-F175 HydrophobicContact CE1-CZ 4.46Å; E126-F175 HydrophobicContact CB-CE1 3.89Å; E126-F175 HydrophobicContact CB-CZ 4.08Å; E126-F175 WeakPolarHBondContact O-CZ 3.15Å; W139-F175 HydrophobicContact CZ2-CZ 4.17Å; E173-F175 PolarHBondContact O-N 2.87Å; F175-S177 PolarHBondContact O-N 3.46Å
176	N	96.7	Very high	97.4	Very high	32 Å²	32	38.8 Å²	38.8	17%	0.171	21%	0.21	C	C	.	.			trans	-70.2	126.4	170.9	-171.3	-56.7	0	0	0	109.8	E173 L178 Y179 I180 F192	E173-N176 HydrophobicContact CB-CB 3.58Å; E173-N176 HydrophobicContact CG-CB 4.48Å; E173-N176 PolarHBondContact O-N 2.7Å; E173-N176 VanDerWaalsContact OE2-CB 3.26Å; E173-N176 WeakPolarHBondContact OE2-CB 3.32Å; E173-N176 PolarHBondContact OE2-ND2 2.85Å; N176-L178 VanDerWaalsContact C-N 3.28Å; N176-L178 PolarHBondContact O-N 3.3Å; N176-L178 WeakPolarHBondContact OD1-CB 3.31Å; N176-L178 PolarHBondContact OD1-N 3.48Å; N176-Y179 PolarHBondContact O-N 2.89Å; N176-Y179 VanDerWaalsContact O-N 3.14Å; N176-I180 WeakPolarHBondContact O-CG1 3.31Å; N176-I180 PolarHBondContact O-N 2.57Å; N176-F192 HydrophobicContact CB-CD2 4.37Å; N176-F192 HydrophobicContact CB-CE2 3.94Å
177	S	96.9	Very high	97.3	Very high	76 Å²	76	40.9 Å²	40.9	53%	0.531	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-35.9	-176.6	57.2	0	0	0	0	113	F175 Q181	F175-S177 PolarHBondContact O-N 3.46Å; S177-Q181 WeakPolarHBondContact O-CB 3.42Å; S177-Q181 WeakPolarHBondContact O-CG 3.44Å; S177-Q181 PolarHBondContact O-N 2.93Å; S177-Q181 PolarHBondContact O-NE2 3.48Å
178	L	97.6	Very high	97.2	Very high	32 Å²	32	49.1 Å²	49.1	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-40.7	177.7	-62.1	176.9	0	0	0	110.7	N176 Q181 D182 D191 F192 K195 V196	N176-L178 VanDerWaalsContact C-N 3.28Å; N176-L178 PolarHBondContact O-N 3.3Å; N176-L178 WeakPolarHBondContact OD1-CB 3.31Å; N176-L178 PolarHBondContact OD1-N 3.48Å; L178-Q181 PolarHBondContact O-N 2.86Å; L178-D182 PolarHBondContact O-N 3.24Å; L178-D191 HydrophobicContact CD2-CB 4.49Å; L178-F192 HydrophobicContact CB-CB 3.81Å; L178-F192 HydrophobicContact CB-CD2 4.13Å; L178-F192 HydrophobicContact CB-CG 4.44Å; L178-K195 HydrophobicContact CD1-CB 4.01Å; L178-K195 HydrophobicContact CD1-CD 3.97Å; L178-V196 HydrophobicContact CD1-CG2 3.91Å
179	Y	97.5	Very high	97.1	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-45.4	176.4	176.4	-111.6	0	0	0	111.6	Y172 E173 N176 Q181 D182 K183 F187 F192 E220 W226	Y172-Y179 HydrophobicContact CD2-CE1 4.12Å; Y172-Y179 HydrophobicContact CG-CE1 4.49Å; E173-Y179 WeakPolarHBondContact O-CD1 3.34Å; N176-Y179 PolarHBondContact O-N 2.89Å; N176-Y179 VanDerWaalsContact O-N 3.14Å; Y179-Q181 VanDerWaalsContact C-N 3.27Å; Y179-Q181 PolarHBondContact O-N 3.29Å; Y179-D182 PolarHBondContact O-N 3.03Å; Y179-K183 HydrophobicContact CE1-CD 4.21Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.4Å; Y179-K183 PolarHBondContact O-N 3.05Å; Y179-F187 AromaticContact CE2-CE1 3.86Å; Y179-F187 HydrophobicContact CE2-CE1 3.86Å; Y179-F187 HydrophobicContact CE2-CZ 4.49Å; Y179-F192 AromaticContact CD2-CD1 3.7Å; Y179-F192 HydrophobicContact CD2-CD1 3.7Å; Y179-F192 AromaticContact CD2-CE1 3.83Å; Y179-F192 HydrophobicContact CD2-CE1 3.83Å; Y179-F192 HydrophobicContact CD2-CG 4.41Å; Y179-F192 HydrophobicContact CG-CD1 4.19Å; Y179-F192 HydrophobicContact CG-CE1 4.18Å; Y179-E220 PolarHBondContact OH-OE2 3.23Å; Y179-W226 HydrophobicContact CD2-CH2 4.35Å; Y179-W226 AromaticContact CE2-CH2 3.67Å; Y179-W226 HydrophobicContact CE2-CH2 3.67Å; Y179-W226 HydrophobicContact CE2-CZ3 4.41Å
180	I	97.3	Very high	97	Very high	88 Å²	88	55.9 Å²	55.9	45%	0.451	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-40.8	175.9	-69.1	168.2	0	0	0	110.7	N176 A184	N176-I180 WeakPolarHBondContact O-CG1 3.31Å; N176-I180 PolarHBondContact O-N 2.57Å; I180-A184 VanDerWaalsContact O-CB 3.24Å; I180-A184 WeakPolarHBondContact O-CB 3.33Å; I180-A184 PolarHBondContact O-N 2.68Å
181	Q	98	Very high	96.9	Very high	108 Å²	108	58 Å²	58	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-47.9	177	-74.8	167.3	34.6	0	0	112	S177 L178 Y179 K183 A184 N185	S177-Q181 WeakPolarHBondContact O-CB 3.42Å; S177-Q181 WeakPolarHBondContact O-CG 3.44Å; S177-Q181 PolarHBondContact O-N 2.93Å; S177-Q181 PolarHBondContact O-NE2 3.48Å; L178-Q181 PolarHBondContact O-N 2.86Å; Y179-Q181 VanDerWaalsContact C-N 3.27Å; Y179-Q181 PolarHBondContact O-N 3.29Å; Q181-K183 VanDerWaalsContact C-N 3.35Å; Q181-K183 PolarHBondContact O-N 2.79Å; Q181-A184 PolarHBondContact O-N 2.9Å; Q181-N185 WeakPolarHBondContact O-CB 3.44Å; Q181-N185 PolarHBondContact O-N 3.06Å
182	D	98	Very high	97	Very high	2 Å²	2	58 Å²	58	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-42.9	177.8	-76.4	-18.9	0	0	0	111.2	L178 Y179 N185 N186 F187 T189 N190 D191 F192 Y225	L178-D182 PolarHBondContact O-N 3.24Å; Y179-D182 PolarHBondContact O-N 3.03Å; D182-N185 CarbonylContact O-C 3.51Å; D182-N185 PolarHBondContact O-N 2.89Å; D182-N185 VanDerWaalsContact O-N 3.16Å; D182-N186 PolarHBondContact O-N 2.81Å; D182-F187 WeakPolarHBondContact O-CA 3.3Å; D182-F187 PolarHBondContact O-N 3Å; D182-T189 WeakPolarHBondContact OD1-CB 3.26Å; D182-T189 PolarHBondContact OD1-OG1 2.81Å; D182-N190 PolarHBondContact OD1-N 3.45Å; D182-N190 WeakPolarHBondContact OD2-CA 3.41Å; D182-D191 PolarHBondContact OD1-N 2.78Å; D182-D191 PolarHBondContact OD2-N 3.46Å; D182-F192 VanDerWaalsContact OD2-CB 3.28Å; D182-F192 WeakPolarHBondContact OD2-CB 3.33Å; D182-F192 PolarHBondContact OD2-N 2.87Å; D182-Y225 HydrophobicContact CB-CE2 3.82Å; D182-Y225 VanDerWaalsContact CB-OH 3.25Å; D182-Y225 WeakPolarHBondContact CB-OH 3.44Å; D182-Y225 PolarHBondContact OD2-OH 2.91Å
183	K	97	Very high	97.1	Very high	89 Å²	89	58 Å²	58	39%	0.387	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-45.3	174.6	-176.9	171.5	179.7	170.8	0	112.1	Y179 Q181 N185 N186 F187 E220	Y179-K183 HydrophobicContact CE1-CD 4.21Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.4Å; Y179-K183 PolarHBondContact O-N 3.05Å; Q181-K183 VanDerWaalsContact C-N 3.35Å; Q181-K183 PolarHBondContact O-N 2.79Å; K183-N185 PolarHBondContact O-N 2.85Å; K183-N186 PolarHBondContact O-N 3.25Å; K183-F187 HydrophobicContact CB-CD1 4.49Å; K183-F187 HydrophobicContact CB-CE1 3.67Å; K183-F187 HydrophobicContact CB-CZ 3.86Å; K183-F187 HydrophobicContact CD-CZ 4.28Å; K183-F187 HydrophobicContact CG-CE1 4.08Å; K183-F187 HydrophobicContact CG-CE2 4.46Å; K183-F187 HydrophobicContact CG-CZ 3.71Å; K183-E220 VanDerWaalsContact CD-OE2 3.32Å; K183-E220 WeakPolarHBondContact CD-OE2 3.41Å; K183-E220 WeakPolarHBondContact CE-OE2 3.33Å; K183-E220 IonicContact NZ-OE1 2.74Å; K183-E220 PolarHBondContact NZ-OE1 2.88Å; K183-E220 IonicContact NZ-OE2 2.78Å; K183-E220 PolarHBondContact NZ-OE2 2.7Å
184	A	97.5	Very high	97.2	Very high	82 Å²	82	64.5 Å²	64.5	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-62.4	-27.7	176.8	0	0	0	0	0	112.2	I180 Q181 N186	I180-A184 VanDerWaalsContact O-CB 3.24Å; I180-A184 WeakPolarHBondContact O-CB 3.33Å; I180-A184 PolarHBondContact O-N 2.68Å; Q181-A184 PolarHBondContact O-N 2.9Å; A184-N186 VanDerWaalsContact C-N 3.29Å; A184-N186 PolarHBondContact O-N 3.18Å
185	N	97.5	Very high	97.3	Very high	70 Å²	70	67.6 Å²	67.6	37%	0.374	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	22	173.5	-165.3	30	0	0	0	113.4	Q181 D182 K183 F187 K188 T189	Q181-N185 WeakPolarHBondContact O-CB 3.44Å; Q181-N185 PolarHBondContact O-N 3.06Å; D182-N185 CarbonylContact O-C 3.51Å; D182-N185 PolarHBondContact O-N 2.89Å; D182-N185 VanDerWaalsContact O-N 3.16Å; K183-N185 PolarHBondContact O-N 2.85Å; N185-F187 PolarHBondContact O-N 3.2Å; N185-F187 VanDerWaalsContact O-N 3.17Å; N185-K188 WeakPolarHBondContact O-CB 3.37Å; N185-K188 PolarHBondContact O-N 2.61Å; N185-K188 VanDerWaalsContact O-N 3.11Å; N185-T189 WeakPolarHBondContact ND2-CG2 3.34Å; N185-T189 PolarHBondContact ND2-N 2.86Å; N185-T189 PolarHBondContact ND2-OG1 2.86Å
186	N	96.9	Very high	97.4	Very high	125 Å²	125	64.7 Å²	64.7	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.5	-179.2	-61	-66.3	0	0	0	113.4	D182 K183 A184 K188	D182-N186 PolarHBondContact O-N 2.81Å; K183-N186 PolarHBondContact O-N 3.25Å; A184-N186 VanDerWaalsContact C-N 3.29Å; A184-N186 PolarHBondContact O-N 3.18Å; N186-K188 PolarHBondContact O-N 3.47Å
187	F	97	Very high	97.4	Very high	43 Å²	43	63.2 Å²	63.2	19%	0.189	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.8	179.4	-52.2	-65	0	0	0	114.3	Y179 D182 K183 N185 E220 A221 Y225	Y179-F187 AromaticContact CE2-CE1 3.86Å; Y179-F187 HydrophobicContact CE2-CE1 3.86Å; Y179-F187 HydrophobicContact CE2-CZ 4.49Å; D182-F187 WeakPolarHBondContact O-CA 3.3Å; D182-F187 PolarHBondContact O-N 3Å; K183-F187 HydrophobicContact CB-CD1 4.49Å; K183-F187 HydrophobicContact CB-CE1 3.67Å; K183-F187 HydrophobicContact CB-CZ 3.86Å; K183-F187 HydrophobicContact CD-CZ 4.28Å; K183-F187 HydrophobicContact CG-CE1 4.08Å; K183-F187 HydrophobicContact CG-CE2 4.46Å; K183-F187 HydrophobicContact CG-CZ 3.71Å; N185-F187 PolarHBondContact O-N 3.2Å; N185-F187 VanDerWaalsContact O-N 3.17Å; F187-E220 WeakPolarHBondContact CE2-O 3.32Å; F187-E220 HydrophobicContact CZ-CB 4.3Å; F187-A221 HydrophobicContact CD1-CB 3.9Å; F187-A221 HydrophobicContact CD2-CB 3.68Å; F187-A221 HydrophobicContact CE1-CB 3.93Å; F187-A221 HydrophobicContact CE2-CB 3.73Å; F187-A221 HydrophobicContact CG-CB 3.76Å; F187-A221 HydrophobicContact CZ-CB 3.85Å; F187-Y225 HydrophobicContact CB-CD1 4.38Å; F187-Y225 HydrophobicContact CB-CD2 3.65Å; F187-Y225 HydrophobicContact CB-CE2 4.13Å; F187-Y225 HydrophobicContact CB-CG 3.78Å; F187-Y225 AromaticContact CD1-CD1 3.91Å; F187-Y225 HydrophobicContact CD1-CD1 3.91Å; F187-Y225 HydrophobicContact CD1-CD2 4.1Å; F187-Y225 AromaticContact CD1-CE1 3.61Å; F187-Y225 HydrophobicContact CD1-CE1 3.61Å; F187-Y225 AromaticContact CD1-CE2 3.84Å; F187-Y225 HydrophobicContact CD1-CE2 3.84Å; F187-Y225 HydrophobicContact CD1-CG 4.13Å; F187-Y225 AromaticContact CD1-CZ 3.58Å; F187-Y225 HydrophobicContact CE1-CE1 4.04Å; F187-Y225 HydrophobicContact CG-CD1 4.31Å; F187-Y225 HydrophobicContact CG-CD2 4.3Å; F187-Y225 HydrophobicContact CG-CE1 4.44Å; F187-Y225 HydrophobicContact CG-CE2 4.46Å; F187-Y225 HydrophobicContact CG-CG 4.22Å
188	K	96.4	Very high	97.5	Very high	174 Å²	174	61.2 Å²	61.2	76%	0.757	31%	0.308	S	S	*	.			trans	-85	-18.3	174.7	-65.8	-178.5	178.6	179.7	0	113.5	N185 N186	N185-K188 WeakPolarHBondContact O-CB 3.37Å; N185-K188 PolarHBondContact O-N 2.61Å; N185-K188 VanDerWaalsContact O-N 3.11Å; N186-K188 PolarHBondContact O-N 3.47Å
189	T	97	Very high	97.5	Very high	57 Å²	57	60.8 Å²	60.8	35%	0.35	31%	0.307	S	S	.	.			trans	-102	158.7	164.5	44.6	0	0	0	0	108.9	D182 N185 Y225	D182-T189 WeakPolarHBondContact OD1-CB 3.26Å; D182-T189 PolarHBondContact OD1-OG1 2.81Å; N185-T189 WeakPolarHBondContact ND2-CG2 3.34Å; N185-T189 PolarHBondContact ND2-N 2.86Å; N185-T189 PolarHBondContact ND2-OG1 2.86Å; T189-Y225 WeakPolarHBondContact O-CE2 3.26Å
190	N	96.3	Very high	97.6	Very high	86 Å²	86	60.6 Å²	60.6	46%	0.46	31%	0.306	S	S	.	.			trans	-135	33.1	-175.9	67.1	-4.2	0	0	0	111.7	D182 F192 I193 R194	D182-N190 PolarHBondContact OD1-N 3.45Å; D182-N190 WeakPolarHBondContact OD2-CA 3.41Å; N190-F192 VanDerWaalsContact C-N 3.34Å; N190-F192 PolarHBondContact O-N 3.05Å; N190-I193 HydrophobicContact CB-CB 4.2Å; N190-I193 HydrophobicContact CB-CG1 4.37Å; N190-I193 PolarHBondContact O-N 3.31Å; N190-R194 WeakPolarHBondContact O-CB 3.22Å; N190-R194 PolarHBondContact O-N 2.91Å
191	D	97.9	Very high	97.6	Very high	43 Å²	43	56.6 Å²	56.6	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-38.1	-175.2	-108.7	5.2	0	0	0	111.8	L178 D182 I193 R194 K195	L178-D191 HydrophobicContact CD2-CB 4.49Å; D182-D191 PolarHBondContact OD1-N 2.78Å; D182-D191 PolarHBondContact OD2-N 3.46Å; D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 3.18Å; D191-R194 IonicContact OD1-CZ 3.24Å; D191-R194 IonicContact OD1-NE 2.73Å; D191-R194 IonicContact OD1-NH2 3.82Å; D191-R194 PolarHBondContact OD1-NH2 3.46Å; D191-K195 VanDerWaalsContact CG-NZ 3.29Å; D191-K195 WeakPolarHBondContact O-CB 3.29Å; D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.44Å; D191-K195 PolarHBondContact O-N 3.46Å; D191-K195 IonicContact OD1-NZ 3.24Å; D191-K195 PolarHBondContact OD1-NZ 2.6Å; D191-K195 IonicContact OD2-NZ 3.74Å; D191-K195 PolarHBondContact OD2-NZ 3.05Å
192	F	98	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-41	172.3	178.9	-119.8	0	0	0	111.3	L171 E173 N176 L178 Y179 D182 N190 V196 V197 W226	L171-F192 VanDerWaalsContact O-CE1 3.28Å; L171-F192 WeakPolarHBondContact O-CE1 3.37Å; E173-F192 HydrophobicContact CB-CE2 4.29Å; E173-F192 HydrophobicContact CB-CZ 3.97Å; E173-F192 HydrophobicContact CG-CE2 4.23Å; E173-F192 HydrophobicContact CG-CZ 3.82Å; N176-F192 HydrophobicContact CB-CD2 4.37Å; N176-F192 HydrophobicContact CB-CE2 3.94Å; L178-F192 HydrophobicContact CB-CB 3.81Å; L178-F192 HydrophobicContact CB-CD2 4.13Å; L178-F192 HydrophobicContact CB-CG 4.44Å; Y179-F192 AromaticContact CD2-CD1 3.7Å; Y179-F192 HydrophobicContact CD2-CD1 3.7Å; Y179-F192 AromaticContact CD2-CE1 3.83Å; Y179-F192 HydrophobicContact CD2-CE1 3.83Å; Y179-F192 HydrophobicContact CD2-CG 4.41Å; Y179-F192 HydrophobicContact CG-CD1 4.19Å; Y179-F192 HydrophobicContact CG-CE1 4.18Å; D182-F192 VanDerWaalsContact OD2-CB 3.28Å; D182-F192 WeakPolarHBondContact OD2-CB 3.33Å; D182-F192 PolarHBondContact OD2-N 2.87Å; N190-F192 VanDerWaalsContact C-N 3.34Å; N190-F192 PolarHBondContact O-N 3.05Å; F192-V196 HydrophobicContact CD2-CB 3.8Å; F192-V196 HydrophobicContact CD2-CG1 4.33Å; F192-V196 HydrophobicContact CD2-CG2 3.79Å; F192-V196 HydrophobicContact CE2-CB 3.78Å; F192-V196 HydrophobicContact CE2-CG1 3.8Å; F192-V196 HydrophobicContact CE2-CG2 4.08Å; F192-V196 WeakPolarHBondContact O-CA 3.44Å; F192-V196 WeakPolarHBondContact O-CB 3.29Å; F192-V196 PolarHBondContact O-N 3.49Å; F192-V197 HydrophobicContact CD1-CG2 3.74Å; F192-V197 HydrophobicContact CE1-CG2 3.32Å; F192-V197 HydrophobicContact CE2-CG2 4.39Å; F192-V197 HydrophobicContact CG-CG2 4.45Å; F192-V197 HydrophobicContact CZ-CG2 3.68Å; F192-V197 PolarHBondContact O-N 2.8Å; F192-V197 VanDerWaalsContact O-N 3.11Å; F192-W226 HydrophobicContact CD1-CZ3 4.42Å; F192-W226 HydrophobicContact CE1-CZ3 4.2Å
193	I	97.8	Very high	97.7	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	28%	0.278	C	S	.	.	I	π-helix	trans	-67.4	-48.8	-178.7	-54.7	-59.5	0	0	0	111.2	N190 D191 V197 T198 Y225 W226 N227	N190-I193 HydrophobicContact CB-CB 4.2Å; N190-I193 HydrophobicContact CB-CG1 4.37Å; N190-I193 PolarHBondContact O-N 3.31Å; D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 3.18Å; I193-V197 HydrophobicContact CD1-CB 4.08Å; I193-V197 HydrophobicContact CD1-CG1 4.49Å; I193-V197 HydrophobicContact CD1-CG2 3.88Å; I193-V197 PolarHBondContact O-N 2.83Å; I193-T198 WeakPolarHBondContact O-CB 3.2Å; I193-T198 PolarHBondContact O-N 3.32Å; I193-T198 PolarHBondContact O-OG1 3.21Å; I193-Y225 HydrophobicContact CD1-CD1 4.22Å; I193-Y225 HydrophobicContact CD1-CE1 3.72Å; I193-Y225 HydrophobicContact CD1-CE2 4.41Å; I193-Y225 HydrophobicContact CG1-CD1 4.36Å; I193-Y225 HydrophobicContact CG1-CD2 4.21Å; I193-Y225 HydrophobicContact CG1-CE1 3.98Å; I193-Y225 HydrophobicContact CG1-CE2 3.76Å; I193-Y225 HydrophobicContact CG1-CG 4.5Å; I193-Y225 WeakPolarHBondContact CG1-O 3.41Å; I193-W226 HydrophobicContact CD1-CD2 4.43Å; I193-W226 HydrophobicContact CD1-CE3 3.37Å; I193-W226 HydrophobicContact CD1-CZ3 3.71Å; I193-N227 HydrophobicContact CG2-CB 3.87Å
194	R	97.8	Very high	97.7	Very high	149 Å²	149	50.6 Å²	50.6	56%	0.562	26%	0.259	S	S	*	.	I	π-helix	trans	-68.7	-36.8	-178.3	-176.9	175.1	61.1	115.9	-2.8	112.9	N190 D191 P199	N190-R194 WeakPolarHBondContact O-CB 3.22Å; N190-R194 PolarHBondContact O-N 2.91Å; D191-R194 IonicContact OD1-CZ 3.24Å; D191-R194 IonicContact OD1-NE 2.73Å; D191-R194 IonicContact OD1-NH2 3.82Å; D191-R194 PolarHBondContact OD1-NH2 3.46Å; R194-P199 WeakPolarHBondContact O-CD 3.33Å; R194-P199 VanDerWaalsContact O-CG 3.24Å; R194-P199 WeakPolarHBondContact O-CG 3.47Å
195	K	97.8	Very high	97.8	Very high	88 Å²	88	46.7 Å²	46.7	38%	0.383	23%	0.227	S	C	.	.	I	π-helix	trans	-96.5	-21.5	-173.3	-60.9	173.4	-176	165.8	0	113.6	Y135 L178 D191	Y135-K195 WeakPolarHBondContact CD1-O 3.45Å; L178-K195 HydrophobicContact CD1-CB 4.01Å; L178-K195 HydrophobicContact CD1-CD 3.97Å; D191-K195 VanDerWaalsContact CG-NZ 3.29Å; D191-K195 WeakPolarHBondContact O-CB 3.29Å; D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.44Å; D191-K195 PolarHBondContact O-N 3.46Å; D191-K195 IonicContact OD1-NZ 3.24Å; D191-K195 PolarHBondContact OD1-NZ 2.6Å; D191-K195 IonicContact OD2-NZ 3.74Å; D191-K195 PolarHBondContact OD2-NZ 3.05Å
196	V	98	Very high	97.9	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.048	23%	0.228	C	C	.	.	I	π-helix	trans	-125.4	-67.8	-174	-169.6	0	0	0	0	111.5	L178 F192 P199 Q200	L178-V196 HydrophobicContact CD1-CG2 3.91Å; F192-V196 HydrophobicContact CD2-CB 3.8Å; F192-V196 HydrophobicContact CD2-CG1 4.33Å; F192-V196 HydrophobicContact CD2-CG2 3.79Å; F192-V196 HydrophobicContact CE2-CB 3.78Å; F192-V196 HydrophobicContact CE2-CG1 3.8Å; F192-V196 HydrophobicContact CE2-CG2 4.08Å; F192-V196 WeakPolarHBondContact O-CA 3.44Å; F192-V196 WeakPolarHBondContact O-CB 3.29Å; F192-V196 PolarHBondContact O-N 3.49Å; V196-P199 WeakPolarHBondContact O-CD 3.41Å; V196-Q200 HydrophobicContact CG1-CG 4.48Å; V196-Q200 VanDerWaalsContact O-CB 3.32Å; V196-Q200 WeakPolarHBondContact O-CB 3.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.38Å; V196-Q200 PolarHBondContact O-N 3.3Å
197	V	98	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-63.1	-57.2	-167.9	175.5	0	0	0	0	112.8	F169 L171 F192 I193 Q200 L201	F169-V197 HydrophobicContact CE1-CG1 3.99Å; L171-V197 HydrophobicContact CD2-CG1 4.29Å; L171-V197 VanDerWaalsContact O-CG2 3.31Å; L171-V197 WeakPolarHBondContact O-CG2 3.26Å; F192-V197 HydrophobicContact CD1-CG2 3.74Å; F192-V197 HydrophobicContact CE1-CG2 3.32Å; F192-V197 HydrophobicContact CE2-CG2 4.39Å; F192-V197 HydrophobicContact CG-CG2 4.45Å; F192-V197 HydrophobicContact CZ-CG2 3.68Å; F192-V197 PolarHBondContact O-N 2.8Å; F192-V197 VanDerWaalsContact O-N 3.11Å; I193-V197 HydrophobicContact CD1-CB 4.08Å; I193-V197 HydrophobicContact CD1-CG1 4.49Å; I193-V197 HydrophobicContact CD1-CG2 3.88Å; I193-V197 PolarHBondContact O-N 2.83Å; V197-Q200 PolarHBondContact O-N 2.8Å; V197-L201 HydrophobicContact CG1-CD1 3.83Å; V197-L201 HydrophobicContact CG1-CG 4.43Å; V197-L201 WeakPolarHBondContact O-CB 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.4Å; V197-L201 PolarHBondContact O-N 3.02Å
198	T	98	Very high	98	Very high	34 Å²	34	43.8 Å²	43.8	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-49.2	-177.4	-61.6	0	0	0	0	111.3	I193 Q200 L201 M202	I193-T198 WeakPolarHBondContact O-CB 3.2Å; I193-T198 PolarHBondContact O-N 3.32Å; I193-T198 PolarHBondContact O-OG1 3.21Å; T198-Q200 PolarHBondContact O-N 3.06Å; T198-L201 PolarHBondContact O-N 2.82Å; T198-M202 HydrophobicContact CG2-CG 4.33Å; T198-M202 WeakPolarHBondContact O-CB 3.35Å; T198-M202 WeakPolarHBondContact O-CG 3.28Å; T198-M202 PolarHBondContact O-N 3.05Å
199	P	98.2	Very high	98.1	Very high	23 Å²	23	41 Å²	41	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-37.4	177.9	-22.2	33.3	0	0	0	114.3	Y135 R194 V196 M202 E203	Y135-P199 HydrophobicContact CD1-CB 3.71Å; Y135-P199 HydrophobicContact CD1-CG 4.25Å; Y135-P199 HydrophobicContact CD2-CB 3.69Å; Y135-P199 HydrophobicContact CE1-CB 3.4Å; Y135-P199 HydrophobicContact CE1-CG 3.99Å; Y135-P199 HydrophobicContact CE2-CB 3.38Å; Y135-P199 HydrophobicContact CG-CB 3.85Å; R194-P199 WeakPolarHBondContact O-CD 3.33Å; R194-P199 VanDerWaalsContact O-CG 3.24Å; R194-P199 WeakPolarHBondContact O-CG 3.47Å; V196-P199 WeakPolarHBondContact O-CD 3.41Å; P199-M202 PolarHBondContact O-N 3.05Å; P199-E203 VanDerWaalsContact O-CB 3.3Å; P199-E203 WeakPolarHBondContact O-CB 3.3Å; P199-E203 PolarHBondContact O-N 3.3Å
200	Q	98.5	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-45.4	176	-74.9	-178.2	-6.4	0	0	112.4	W131 Y135 F169 V196 V197 T198 M202 E203 I204	W131-Q200 HydrophobicContact CH2-CB 4.43Å; W131-Q200 HydrophobicContact CZ2-CB 4.08Å; W131-Q200 HydrophobicContact CZ2-CG 4.11Å; Y135-Q200 HydrophobicContact CD2-CG 4.25Å; Y135-Q200 HydrophobicContact CG-CG 4.31Å; Y135-Q200 PolarHBondContact O-NE2 3.01Å; F169-Q200 HydrophobicContact CE2-CB 3.69Å; F169-Q200 HydrophobicContact CZ-CB 3.84Å; F169-Q200 VanDerWaalsContact CZ-OE1 3.3Å; V196-Q200 HydrophobicContact CG1-CG 4.48Å; V196-Q200 VanDerWaalsContact O-CB 3.32Å; V196-Q200 WeakPolarHBondContact O-CB 3.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.38Å; V196-Q200 PolarHBondContact O-N 3.3Å; V197-Q200 PolarHBondContact O-N 2.8Å; T198-Q200 PolarHBondContact O-N 3.06Å; Q200-M202 VanDerWaalsContact C-N 3.28Å; Q200-M202 PolarHBondContact O-N 3.36Å; Q200-E203 WeakPolarHBondContact O-CB 3.5Å; Q200-E203 PolarHBondContact O-N 3.47Å; Q200-E203 VanDerWaalsContact O-N 3.1Å; Q200-I204 PolarHBondContact O-N 2.96Å
201	L	98.6	Very high	98.3	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-43.4	176.1	-79.6	173.1	0	0	0	111.2	F169 V197 T198 I204 V205 V213 F231	F169-L201 HydrophobicContact CB-CD2 3.95Å; F169-L201 HydrophobicContact CD1-CD2 3.59Å; F169-L201 HydrophobicContact CD1-CG 4Å; F169-L201 HydrophobicContact CD2-CD2 3.97Å; F169-L201 HydrophobicContact CE1-CD1 4.44Å; F169-L201 HydrophobicContact CE1-CD2 4.04Å; F169-L201 HydrophobicContact CE1-CG 3.91Å; F169-L201 HydrophobicContact CE2-CD2 4.35Å; F169-L201 HydrophobicContact CE2-CG 4.4Å; F169-L201 HydrophobicContact CG-CD2 3.55Å; F169-L201 HydrophobicContact CG-CG 4.29Å; F169-L201 HydrophobicContact CZ-CD2 4.38Å; F169-L201 HydrophobicContact CZ-CG 4.1Å; V197-L201 HydrophobicContact CG1-CD1 3.83Å; V197-L201 HydrophobicContact CG1-CG 4.43Å; V197-L201 WeakPolarHBondContact O-CB 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.4Å; V197-L201 PolarHBondContact O-N 3.02Å; T198-L201 PolarHBondContact O-N 2.82Å; L201-I204 HydrophobicContact CD2-CD1 4.27Å; L201-I204 VanDerWaalsContact O-CG1 3.26Å; L201-I204 WeakPolarHBondContact O-CG1 3.48Å; L201-V205 WeakPolarHBondContact O-CB 3.36Å; L201-V205 VanDerWaalsContact O-CG2 3.28Å; L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.36Å; L201-V205 VanDerWaalsContact O-N 3.16Å; L201-V213 HydrophobicContact CD2-CG1 4.37Å; L201-F231 HydrophobicContact CB-CD2 4.04Å; L201-F231 HydrophobicContact CB-CE1 4.5Å; L201-F231 HydrophobicContact CB-CE2 3.54Å; L201-F231 HydrophobicContact CB-CZ 3.8Å; L201-F231 HydrophobicContact CD1-CD1 4.21Å; L201-F231 HydrophobicContact CD1-CD2 4.34Å; L201-F231 HydrophobicContact CD1-CE1 4.28Å; L201-F231 HydrophobicContact CD1-CE2 4.42Å; L201-F231 HydrophobicContact CD1-CG 4.23Å; L201-F231 HydrophobicContact CD1-CZ 4.38Å; L201-F231 HydrophobicContact CD2-CE1 4.4Å; L201-F231 HydrophobicContact CD2-CZ 4.24Å; L201-F231 HydrophobicContact CG-CE2 4.47Å; L201-F231 HydrophobicContact CG-CZ 4.38Å
202	M	98.4	Very high	98.4	Very high	54 Å²	54	32.7 Å²	32.7	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-63.3	-42.2	174.3	-64.1	-74.3	-68.1	0	0	111.4	T198 P199 Q200 V205 N206 F231 W234	T198-M202 HydrophobicContact CG2-CG 4.33Å; T198-M202 WeakPolarHBondContact O-CB 3.35Å; T198-M202 WeakPolarHBondContact O-CG 3.28Å; T198-M202 PolarHBondContact O-N 3.05Å; P199-M202 PolarHBondContact O-N 3.05Å; Q200-M202 VanDerWaalsContact C-N 3.28Å; Q200-M202 PolarHBondContact O-N 3.36Å; M202-V205 PolarHBondContact O-N 3.44Å; M202-N206 WeakPolarHBondContact O-CB 3.32Å; M202-N206 PolarHBondContact O-N 3.42Å; M202-N206 PolarHBondContact O-ND2 3.44Å; M202-F231 HydrophobicContact SD-CD2 4.31Å; M202-F231 HydrophobicContact SD-CE2 4.28Å; M202-W234 HydrophobicContact CE-CD2 3.78Å; M202-W234 HydrophobicContact CE-CE3 4.28Å; M202-W234 HydrophobicContact CE-CG 4.33Å; M202-W234 HydrophobicContact CE-CH2 3.9Å; M202-W234 HydrophobicContact CE-CZ2 3.36Å; M202-W234 HydrophobicContact CE-CZ3 4.33Å; M202-W234 HydrophobicContact SD-CD2 3.41Å; M202-W234 VanDerWaalsContact SD-CE2 3.53Å; M202-W234 HydrophobicContact SD-CE3 3.36Å; M202-W234 HydrophobicContact SD-CG 4.17Å; M202-W234 HydrophobicContact SD-CH2 3.56Å; M202-W234 VanDerWaalsContact SD-CH2 3.56Å; M202-W234 HydrophobicContact SD-CZ2 3.63Å; M202-W234 HydrophobicContact SD-CZ3 3.43Å; M202-W234 WeakPolarHBondContact SD-CZ3 3.39Å
203	E	98.3	Very high	98.4	Very high	18 Å²	18	32.7 Å²	32.7	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-50.1	179	-174.3	174.7	-112.9	0	0	111.6	W131 S133 K134 P199 Q200 V205 N206 N207	W131-E203 PolarHBondContact NE1-OE2 2.73Å; S133-E203 WeakPolarHBondContact CA-OE2 3.37Å; S133-E203 WeakPolarHBondContact CB-OE2 3.33Å; S133-E203 PolarHBondContact OG-OE2 2.78Å; K134-E203 PolarHBondContact N-OE1 2.72Å; P199-E203 VanDerWaalsContact O-CB 3.3Å; P199-E203 WeakPolarHBondContact O-CB 3.3Å; P199-E203 PolarHBondContact O-N 3.3Å; Q200-E203 WeakPolarHBondContact O-CB 3.5Å; Q200-E203 PolarHBondContact O-N 3.47Å; Q200-E203 VanDerWaalsContact O-N 3.1Å; E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 3.5Å; E203-N206 PolarHBondContact O-N 2.68Å; E203-N207 VanDerWaalsContact CG-ND2 3.3Å; E203-N207 WeakPolarHBondContact CG-ND2 3.32Å; E203-N207 WeakPolarHBondContact O-CB 3.36Å; E203-N207 PolarHBondContact O-N 2.99Å; E203-N207 PolarHBondContact O-ND2 2.8Å
204	I	98.6	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-37.2	-179.4	65.1	171.1	0	0	0	112.2	W131 L167 F169 Q200 L201 Y208	W131-I204 HydrophobicContact CD2-CG2 3.88Å; W131-I204 HydrophobicContact CE3-CG2 4.08Å; W131-I204 HydrophobicContact CH2-CG2 3.74Å; W131-I204 HydrophobicContact CZ2-CG2 3.49Å; W131-I204 VanDerWaalsContact CZ2-CG2 3.49Å; W131-I204 HydrophobicContact CZ3-CG2 4Å; L167-I204 HydrophobicContact CB-CD1 4.34Å; L167-I204 HydrophobicContact CD1-CB 3.88Å; L167-I204 HydrophobicContact CD1-CD1 4.34Å; L167-I204 HydrophobicContact CD1-CG2 4.48Å; F169-I204 HydrophobicContact CB-CD1 4.36Å; F169-I204 HydrophobicContact CD2-CD1 3.94Å; F169-I204 HydrophobicContact CG-CD1 4.49Å; Q200-I204 PolarHBondContact O-N 2.96Å; L201-I204 HydrophobicContact CD2-CD1 4.27Å; L201-I204 VanDerWaalsContact O-CG1 3.26Å; L201-I204 WeakPolarHBondContact O-CG1 3.48Å; I204-Y208 HydrophobicContact CB-CD2 4.32Å; I204-Y208 WeakPolarHBondContact O-CB 3.3Å; I204-Y208 PolarHBondContact O-N 2.91Å
205	V	98.8	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-45.4	179.1	172	0	0	0	0	111	L201 M202 E203 K209 P210 V213 F231 W234 L235 P240 V241	L201-V205 WeakPolarHBondContact O-CB 3.36Å; L201-V205 VanDerWaalsContact O-CG2 3.28Å; L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.36Å; L201-V205 VanDerWaalsContact O-N 3.16Å; M202-V205 PolarHBondContact O-N 3.44Å; E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 3.5Å; V205-K209 VanDerWaalsContact O-CA 3.26Å; V205-K209 WeakPolarHBondContact O-CA 3.3Å; V205-K209 PolarHBondContact O-N 3.3Å; V205-P210 HydrophobicContact CG2-CG 4.4Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å; V205-F231 HydrophobicContact CG2-CZ 4.06Å; V205-W234 HydrophobicContact CB-CH2 3.97Å; V205-W234 HydrophobicContact CB-CZ3 4.07Å; V205-W234 HydrophobicContact CG1-CH2 3.59Å; V205-W234 HydrophobicContact CG1-CZ3 3.79Å; V205-W234 HydrophobicContact CG2-CZ3 4.4Å; V205-L235 HydrophobicContact CG1-CD1 3.88Å; V205-L235 HydrophobicContact CG2-CD1 4Å; V205-P240 HydrophobicContact CG1-CG 4.43Å; V205-V241 HydrophobicContact CG1-CG2 3.85Å
206	N	98.7	Very high	98.5	Very high	72 Å²	72	22.1 Å²	22.1	39%	0.385	11%	0.113	S	C	.	.	H	α-helix	trans	-73.5	-37.2	-177.5	-73	-64.5	0	0	0	112.6	M202 E203	M202-N206 WeakPolarHBondContact O-CB 3.32Å; M202-N206 PolarHBondContact O-N 3.42Å; M202-N206 PolarHBondContact O-ND2 3.44Å; E203-N206 PolarHBondContact O-N 2.68Å
207	N	98.5	Very high	98.4	Very high	92 Å²	92	21.7 Å²	21.7	49%	0.492	11%	0.11	S	C	.	.	H	α-helix	trans	-78.7	-44.3	-176.8	-66	-8.8	0	0	0	112.3	E203	E203-N207 VanDerWaalsContact CG-ND2 3.3Å; E203-N207 WeakPolarHBondContact CG-ND2 3.32Å; E203-N207 WeakPolarHBondContact O-CB 3.36Å; E203-N207 PolarHBondContact O-N 2.99Å; E203-N207 PolarHBondContact O-ND2 2.8Å
208	Y	98.7	Very high	98.2	Very high	14 Å²	14	22.2 Å²	22.2	6%	0.055	11%	0.113	C	C	.	.	H	α-helix	trans	-111.2	-9.6	-168.9	-53.5	-66.7	0	0	0	114.3	W131 D149 V151 R159 L167 I204	W131-Y208 HydrophobicContact CB-CE2 3.94Å; W131-Y208 WeakPolarHBondContact CB-OH 3.2Å; W131-Y208 AromaticContact CD1-CE2 3.96Å; W131-Y208 AromaticContact CG-CE2 3.96Å; W131-Y208 HydrophobicContact CG-CE2 3.96Å; D149-Y208 VanDerWaalsContact CG-OH 3.25Å; D149-Y208 PolarHBondContact OD1-OH 3.27Å; D149-Y208 VanDerWaalsContact OD1-OH 3.07Å; D149-Y208 WeakPolarHBondContact OD2-CE1 3.47Å; D149-Y208 PolarHBondContact OD2-OH 3.41Å; V151-Y208 HydrophobicContact CB-CE1 4.4Å; V151-Y208 HydrophobicContact CB-CE2 4.29Å; V151-Y208 HydrophobicContact CG1-CD1 3.71Å; V151-Y208 HydrophobicContact CG1-CD2 3.47Å; V151-Y208 VanDerWaalsContact CG1-CD2 3.47Å; V151-Y208 HydrophobicContact CG1-CE1 3.87Å; V151-Y208 HydrophobicContact CG1-CE2 3.66Å; V151-Y208 HydrophobicContact CG1-CG 3.51Å; R159-Y208 PolarHBondContact NH2-O 2.98Å; L167-Y208 HydrophobicContact CD1-CD2 4.19Å; L167-Y208 HydrophobicContact CD1-CG 4.5Å; I204-Y208 HydrophobicContact CB-CD2 4.32Å; I204-Y208 WeakPolarHBondContact O-CB 3.3Å; I204-Y208 PolarHBondContact O-N 2.91Å
209	K	98.8	Very high	98	Very high	116 Å²	116	25.3 Å²	25.3	50%	0.504	12%	0.121	S	C	.	.			trans	48	53.7	175.6	-58.7	169.2	-172.5	154	0	112.6	R159 V205 D211 P240 V241	R159-K209 PolarHBondContact NH2-O 2.9Å; V205-K209 VanDerWaalsContact O-CA 3.26Å; V205-K209 WeakPolarHBondContact O-CA 3.3Å; V205-K209 PolarHBondContact O-N 3.3Å; K209-D211 PolarHBondContact O-N 2.82Å; K209-P240 HydrophobicContact CD-CB 4.46Å; K209-P240 HydrophobicContact CG-CB 4.16Å; K209-P240 HydrophobicContact CG-CG 4.02Å; K209-V241 VanDerWaalsContact CA-CG1 3.44Å; K209-V241 HydrophobicContact CB-CG1 3.64Å; K209-V241 HydrophobicContact CG-CG1 4.41Å; K209-V241 WeakPolarHBondContact O-CG1 3.35Å
210	P	98.8	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.			trans	-64.9	137.1	-175.9	31.2	-35.5	0	0	0	111.2	F165 L167 V205 V212 V213	F165-P210 CarbonylContact O-C 3.59Å; F165-P210 VanDerWaalsContact O-CA 3.25Å; F165-P210 WeakPolarHBondContact O-CA 3.48Å; L167-P210 HydrophobicContact CB-CB 4.35Å; L167-P210 HydrophobicContact CD1-CB 4.29Å; L167-P210 HydrophobicContact CD1-CG 4.34Å; L167-P210 HydrophobicContact CG-CB 4.12Å; V205-P210 HydrophobicContact CG2-CG 4.4Å; P210-V212 WeakPolarHBondContact CB-O 3.17Å; P210-V213 HydrophobicContact CG-CG2 3.81Å
211	D	98.8	Very high	97.8	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.048	13%	0.126	C	C	.	.	S	Bend	trans	-70.4	-21.9	170.6	-57.7	-77.8	0	0	0	111.7	W37 R159 R164 F165 K209 V245 V246	W37-D211 HydrophobicContact CH2-CB 4.17Å; W37-D211 HydrophobicContact CZ2-CB 3.84Å; R159-D211 IonicContact CZ-OD2 3.85Å; R159-D211 IonicContact NH1-OD1 3.14Å; R159-D211 IonicContact NH1-OD2 2.63Å; R159-D211 PolarHBondContact NH1-OD2 2.85Å; R159-D211 IonicContact NH2-OD2 3.18Å; R164-D211 WeakPolarHBondContact CA-OD2 3.48Å; R164-D211 HydrophobicContact CB-CB 4.02Å; R164-D211 VanDerWaalsContact CD-OD1 3.22Å; R164-D211 WeakPolarHBondContact CD-OD1 3.13Å; R164-D211 WeakPolarHBondContact CD-OD2 3Å; R164-D211 IonicContact CZ-OD1 3.16Å; R164-D211 IonicContact NE-OD1 2.68Å; R164-D211 IonicContact NH1-OD1 3.74Å; R164-D211 PolarHBondContact NH1-OD1 3.28Å; F165-D211 PolarHBondContact N-OD2 3.2Å; F165-D211 PolarHBondContact O-N 2.95Å; K209-D211 PolarHBondContact O-N 2.82Å; D211-V245 CarbonylContact O-C 3.57Å; D211-V245 WeakPolarHBondContact O-CA 3.4Å; D211-V246 PolarHBondContact O-N 3.48Å
212	V	98.9	Very high	97.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.9	174.1	-171.6	0	0	0	0	109.7	W37 Y117 V119 G166 L167 P210 W214 V246	W37-V212 HydrophobicContact CH2-CG2 3.69Å; W37-V212 HydrophobicContact CZ2-CG2 4.24Å; Y117-V212 HydrophobicContact CD2-CG2 4.35Å; V119-V212 HydrophobicContact CG2-CB 4.36Å; V119-V212 HydrophobicContact CG2-CG1 4.42Å; G166-V212 CarbonylContact C-O 3.47Å; G166-V212 WeakPolarHBondContact CA-O 3.33Å; L167-V212 PolarHBondContact N-O 3.33Å; P210-V212 WeakPolarHBondContact CB-O 3.17Å; V212-W214 HydrophobicContact CG1-CB 4.22Å; V212-V246 CarbonylContact C-O 3.55Å; V212-V246 WeakPolarHBondContact CA-O 3.13Å; V212-V246 HydrophobicContact CG1-CB 4.46Å; V212-V246 HydrophobicContact CG2-CB 4.3Å
213	V	98.8	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	102.1	166.4	-176.6	0	0	0	0	107.3	L201 V205 P210 F231 L235 V245 V246 V247 W251	L201-V213 HydrophobicContact CD2-CG1 4.37Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å; P210-V213 HydrophobicContact CG-CG2 3.81Å; V213-F231 HydrophobicContact CG1-CE1 4.38Å; V213-L235 HydrophobicContact CG2-CD2 4.45Å; V213-V245 HydrophobicContact CG2-CG2 3.94Å; V213-V246 PolarHBondContact N-O 3.45Å; V213-V247 HydrophobicContact CB-CG1 4.42Å; V213-V247 WeakPolarHBondContact O-CA 3.24Å; V213-W251 HydrophobicContact CG1-CH2 3.85Å; V213-W251 HydrophobicContact CG1-CZ2 4.34Å
214	W	98.7	Very high	97.5	Very high	4 Å²	4	34 Å²	34	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.6	-172.8	-152.2	107.7	0	0	0	109.4	F46 V119 L167 Y168 F169 V212 D216 N248 T264 E280 C282	F46-W214 HydrophobicContact CE1-CZ2 4.42Å; F46-W214 HydrophobicContact CZ-CD2 4.3Å; F46-W214 HydrophobicContact CZ-CE3 4.33Å; V119-W214 HydrophobicContact CG1-CB 4.1Å; L167-W214 PolarHBondContact O-N 2.96Å; Y168-W214 CarbonylContact C-O 3.6Å; Y168-W214 WeakPolarHBondContact CA-O 3.3Å; Y168-W214 HydrophobicContact CD2-CD2 4.25Å; Y168-W214 AromaticContact CD2-CE3 3.39Å; Y168-W214 HydrophobicContact CD2-CE3 3.39Å; Y168-W214 AromaticContact CD2-CZ3 3.84Å; Y168-W214 HydrophobicContact CD2-CZ3 3.84Å; Y168-W214 AromaticContact CE2-CE3 3.78Å; Y168-W214 HydrophobicContact CE2-CE3 3.78Å; Y168-W214 AromaticContact CE2-CZ3 3.74Å; Y168-W214 HydrophobicContact CE2-CZ3 3.74Å; F169-W214 PolarHBondContact N-O 2.87Å; V212-W214 HydrophobicContact CG1-CB 4.22Å; W214-D216 HydrophobicContact CE3-CB 4.33Å; W214-D216 HydrophobicContact CZ3-CB 3.83Å; W214-N248 HydrophobicContact CD2-CB 4.24Å; W214-N248 VanDerWaalsContact CD2-ND2 3.25Å; W214-N248 HydrophobicContact CG-CB 4.31Å; W214-N248 WeakPolarHBondContact CZ2-ND2 3.48Å; W214-N248 WeakPolarHBondContact CZ3-ND2 3.27Å; W214-T264 HydrophobicContact CH2-CG2 4.42Å; W214-T264 HydrophobicContact CZ2-CG2 3.63Å; W214-E280 PolarHBondContact NE1-OE1 3.42Å; W214-C282 HydrophobicContact CZ2-CB 4.4Å; W214-C282 VanDerWaalsContact CZ2-SG 3.5Å
215	S	98.4	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154	-176.9	179.6	0	0	0	0	111.4	F169 L171 N248 R250	F169-S215 WeakPolarHBondContact O-CA 3.39Å; L171-S215 WeakPolarHBondContact CD1-OG 3.49Å; L171-S215 VanDerWaalsContact CG-OG 3.28Å; L171-S215 WeakPolarHBondContact CG-OG 3.02Å; S215-N248 PolarHBondContact N-OD1 2.98Å; S215-N248 PolarHBondContact O-ND2 3.45Å; S215-N248 PolarHBondContact O-OD1 2.87Å; S215-R250 VanDerWaalsContact CB-O 3.27Å; S215-R250 WeakPolarHBondContact CB-O 3.21Å; S215-R250 WeakPolarHBondContact O-CB 3.28Å; S215-R250 PolarHBondContact OG-O 3.41Å
216	D	98.1	Very high	97.4	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	167.8	174.2	-159.3	19	0	0	0	112.2	H125 Y168 F169 L171 W214 R250	H125-D216 IonicContact CE1-OD2 3.71Å; H125-D216 IonicContact NE2-OD2 3.26Å; Y168-D216 HydrophobicContact CD2-CB 4.2Å; Y168-D216 HydrophobicContact CE2-CB 3.24Å; Y168-D216 WeakPolarHBondContact CE2-OD2 3.36Å; Y168-D216 VanDerWaalsContact CZ-CB 3.42Å; Y168-D216 WeakPolarHBondContact OH-CB 3.45Å; Y168-D216 PolarHBondContact OH-OD2 3.36Å; F169-D216 PolarHBondContact O-N 3.42Å; F169-D216 VanDerWaalsContact O-N 3.13Å; L171-D216 WeakPolarHBondContact CB-O 3.48Å; L171-D216 WeakPolarHBondContact CG-O 3.46Å; L171-D216 PolarHBondContact N-O 2.82Å; W214-D216 HydrophobicContact CE3-CB 4.33Å; W214-D216 HydrophobicContact CZ3-CB 3.83Å; D216-R250 VanDerWaalsContact OD1-CD 3.24Å; D216-R250 WeakPolarHBondContact OD1-CD 3.36Å; D216-R250 IonicContact OD1-CZ 3.79Å; D216-R250 IonicContact OD1-NE 3.77Å; D216-R250 IonicContact OD1-NH1 3.64Å; D216-R250 PolarHBondContact OD1-NH1 2.76Å
217	G	94.8	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.			trans	84	33.5	-176.5	0	0	0	0	0	113.2	Y172 W219	Y172-G217 VanDerWaalsContact CD1-CA 3.48Å; Y172-G217 VanDerWaalsContact CE1-CA 3.5Å; G217-W219 VanDerWaalsContact C-N 3.34Å; G217-W219 VanDerWaalsContact CA-CZ3 3.44Å; G217-W219 PolarHBondContact O-N 3.13Å
218	D	94	Very high	97.3	Very high	11 Å²	11	30 Å²	30	6%	0.059	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.4	-173.8	65.5	-65.3	0	0	0	113.5	E220 R250 G252 K253	D218-E220 PolarHBondContact O-N 3.15Å; D218-R250 HydrophobicContact CB-CB 4.05Å; D218-G252 CarbonylContact O-C 3.59Å; D218-K253 WeakPolarHBondContact O-CA 3.43Å; D218-K253 PolarHBondContact O-N 2.84Å
219	W	94.7	Very high	97.3	Very high	98 Å²	98	30.1 Å²	30.1	37%	0.371	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.6	-164.5	55.4	86.3	0	0	0	116.2	W62 H125 Y172 G217	W62-W219 HydrophobicContact CH2-CH2 4.29Å; W62-W219 AromaticContact CH2-CZ2 3.79Å; W62-W219 HydrophobicContact CH2-CZ2 3.79Å; W62-W219 HydrophobicContact CZ2-CH2 4.09Å; W62-W219 HydrophobicContact CZ2-CZ2 4.06Å; H125-W219 AromaticContact CE1-CH2 3.93Å; H125-W219 AromaticContact NE2-CH2 3.69Å; Y172-W219 HydrophobicContact CD1-CZ2 4.48Å; Y172-W219 AromaticContact CE1-CE2 3.9Å; Y172-W219 AromaticContact CE1-CH2 3.74Å; Y172-W219 HydrophobicContact CE1-CH2 3.74Å; Y172-W219 AromaticContact CE1-CZ2 3.32Å; Y172-W219 HydrophobicContact CE1-CZ2 3.32Å; Y172-W219 AromaticContact CZ-CZ2 3.66Å; Y172-W219 VanDerWaalsContact OH-CZ2 3.27Å; Y172-W219 WeakPolarHBondContact OH-CZ2 3.35Å; G217-W219 VanDerWaalsContact C-N 3.34Å; G217-W219 VanDerWaalsContact CA-CZ3 3.44Å; G217-W219 PolarHBondContact O-N 3.13Å
220	E	94.6	Very high	97.2	Very high	55 Å²	55	29.3 Å²	29.3	26%	0.257	15%	0.148	S	C	.	.	S	Bend	trans	-83.2	-38.3	-171.4	-71.9	-142.4	179.8	0	0	114.5	Y179 K183 F187 D218	Y179-E220 PolarHBondContact OH-OE2 3.23Å; K183-E220 VanDerWaalsContact CD-OE2 3.32Å; K183-E220 WeakPolarHBondContact CD-OE2 3.41Å; K183-E220 WeakPolarHBondContact CE-OE2 3.33Å; K183-E220 IonicContact NZ-OE1 2.74Å; K183-E220 PolarHBondContact NZ-OE1 2.88Å; K183-E220 IonicContact NZ-OE2 2.78Å; K183-E220 PolarHBondContact NZ-OE2 2.7Å; F187-E220 WeakPolarHBondContact CE2-O 3.32Å; F187-E220 HydrophobicContact CZ-CB 4.3Å; D218-E220 PolarHBondContact O-N 3.15Å
221	A	96.9	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-135.8	151.6	-171.8	0	0	0	0	0	111.7	F187 Y225 W226 K253	F187-A221 HydrophobicContact CD1-CB 3.9Å; F187-A221 HydrophobicContact CD2-CB 3.68Å; F187-A221 HydrophobicContact CE1-CB 3.93Å; F187-A221 HydrophobicContact CE2-CB 3.73Å; F187-A221 HydrophobicContact CG-CB 3.76Å; F187-A221 HydrophobicContact CZ-CB 3.85Å; A221-Y225 HydrophobicContact CB-CD1 3.38Å; A221-Y225 HydrophobicContact CB-CE1 4.01Å; A221-Y225 HydrophobicContact CB-CG 4.08Å; A221-W226 HydrophobicContact CB-CZ2 3.67Å; A221-W226 PolarHBondContact O-NE1 2.87Å; A221-K253 WeakPolarHBondContact O-CB 3.03Å; A221-K253 PolarHBondContact O-N 3.22Å
222	P	97	Very high	97.2	Very high	56 Å²	56	29.2 Å²	29.2	36%	0.364	15%	0.147	S	C	.	.			trans	-68.2	156.8	-179.5	30.3	-36.2	0	0	0	111.6	S224 Y225 W226	P222-S224 PolarHBondContact O-N 3.26Å; P222-Y225 PolarHBondContact O-N 2.77Å; P222-W226 PolarHBondContact O-N 3Å
223	Y	96.5	Very high	97.2	Very high	89 Å²	89	29.4 Å²	29.4	35%	0.349	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.7	177.1	65.5	-99.9	0	0	0	113.7	W26 W226 N227 S228 T229 W251 T255	W26-Y223 HydrophobicContact CZ2-CD1 4.13Å; W26-Y223 HydrophobicContact CZ2-CD2 4.1Å; W26-Y223 AromaticContact CZ2-CG 3.75Å; W26-Y223 HydrophobicContact CZ2-CG 3.75Å; W26-Y223 AromaticContact NE1-CD1 3.51Å; W26-Y223 AromaticContact NE1-CD2 3.72Å; W26-Y223 AromaticContact NE1-CE1 3.35Å; W26-Y223 AromaticContact NE1-CE2 3.59Å; W26-Y223 AromaticContact NE1-CG 3.7Å; W26-Y223 AromaticContact NE1-CZ 3.41Å; Y223-W226 PolarHBondContact O-N 3.07Å; Y223-N227 PolarHBondContact O-N 2.8Å; Y223-N227 VanDerWaalsContact O-N 3.13Å; Y223-S228 PolarHBondContact O-N 2.87Å; Y223-S228 VanDerWaalsContact O-N 3.12Å; Y223-T229 HydrophobicContact CD2-CG2 3.87Å; Y223-T229 HydrophobicContact CE2-CG2 4.17Å; Y223-W251 WeakPolarHBondContact CB-O 3.41Å; Y223-T255 HydrophobicContact CD1-CG2 4.14Å; Y223-T255 HydrophobicContact CG-CG2 4.48Å
224	S	96.6	Very high	97.1	Very high	84 Å²	84	32.1 Å²	32.1	59%	0.587	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-35.5	176.1	54.8	0	0	0	0	113	P222	P222-S224 PolarHBondContact O-N 3.26Å
225	Y	97.7	Very high	97.1	Very high	11 Å²	11	31.9 Å²	31.9	4%	0.043	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-48.3	172	164.6	-103.4	0	0	0	110	D182 F187 T189 I193 A221 P222 N227	D182-Y225 HydrophobicContact CB-CE2 3.82Å; D182-Y225 VanDerWaalsContact CB-OH 3.25Å; D182-Y225 WeakPolarHBondContact CB-OH 3.44Å; D182-Y225 PolarHBondContact OD2-OH 2.91Å; F187-Y225 HydrophobicContact CB-CD1 4.38Å; F187-Y225 HydrophobicContact CB-CD2 3.65Å; F187-Y225 HydrophobicContact CB-CE2 4.13Å; F187-Y225 HydrophobicContact CB-CG 3.78Å; F187-Y225 AromaticContact CD1-CD1 3.91Å; F187-Y225 HydrophobicContact CD1-CD1 3.91Å; F187-Y225 HydrophobicContact CD1-CD2 4.1Å; F187-Y225 AromaticContact CD1-CE1 3.61Å; F187-Y225 HydrophobicContact CD1-CE1 3.61Å; F187-Y225 AromaticContact CD1-CE2 3.84Å; F187-Y225 HydrophobicContact CD1-CE2 3.84Å; F187-Y225 HydrophobicContact CD1-CG 4.13Å; F187-Y225 AromaticContact CD1-CZ 3.58Å; F187-Y225 HydrophobicContact CE1-CE1 4.04Å; F187-Y225 HydrophobicContact CG-CD1 4.31Å; F187-Y225 HydrophobicContact CG-CD2 4.3Å; F187-Y225 HydrophobicContact CG-CE1 4.44Å; F187-Y225 HydrophobicContact CG-CE2 4.46Å; F187-Y225 HydrophobicContact CG-CG 4.22Å; T189-Y225 WeakPolarHBondContact O-CE2 3.26Å; I193-Y225 HydrophobicContact CD1-CD1 4.22Å; I193-Y225 HydrophobicContact CD1-CE1 3.72Å; I193-Y225 HydrophobicContact CD1-CE2 4.41Å; I193-Y225 HydrophobicContact CG1-CD1 4.36Å; I193-Y225 HydrophobicContact CG1-CD2 4.21Å; I193-Y225 HydrophobicContact CG1-CE1 3.98Å; I193-Y225 HydrophobicContact CG1-CE2 3.76Å; I193-Y225 HydrophobicContact CG1-CG 4.5Å; I193-Y225 WeakPolarHBondContact CG1-O 3.41Å; A221-Y225 HydrophobicContact CB-CD1 3.38Å; A221-Y225 HydrophobicContact CB-CE1 4.01Å; A221-Y225 HydrophobicContact CB-CG 4.08Å; P222-Y225 PolarHBondContact O-N 2.77Å; Y225-N227 PolarHBondContact O-N 3.13Å
226	W	97.3	Very high	97.1	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.7	179.2	-60.6	122.5	0	0	0	114.5	L171 Y179 F192 I193 A221 P222 Y223 S228	L171-W226 HydrophobicContact CB-CD2 3.98Å; L171-W226 HydrophobicContact CB-CE3 3.76Å; L171-W226 HydrophobicContact CB-CH2 4.21Å; L171-W226 HydrophobicContact CB-CZ2 4.35Å; L171-W226 HydrophobicContact CB-CZ3 3.9Å; L171-W226 HydrophobicContact CD1-CB 4.41Å; L171-W226 HydrophobicContact CD1-CD2 4.02Å; L171-W226 HydrophobicContact CD1-CG 3.91Å; L171-W226 HydrophobicContact CG-CD2 4.48Å; L171-W226 WeakPolarHBondContact O-CZ3 3.2Å; Y179-W226 HydrophobicContact CD2-CH2 4.35Å; Y179-W226 AromaticContact CE2-CH2 3.67Å; Y179-W226 HydrophobicContact CE2-CH2 3.67Å; Y179-W226 HydrophobicContact CE2-CZ3 4.41Å; F192-W226 HydrophobicContact CD1-CZ3 4.42Å; F192-W226 HydrophobicContact CE1-CZ3 4.2Å; I193-W226 HydrophobicContact CD1-CD2 4.43Å; I193-W226 HydrophobicContact CD1-CE3 3.37Å; I193-W226 HydrophobicContact CD1-CZ3 3.71Å; A221-W226 HydrophobicContact CB-CZ2 3.67Å; A221-W226 PolarHBondContact O-NE1 2.87Å; P222-W226 PolarHBondContact O-N 3Å; Y223-W226 PolarHBondContact O-N 3.07Å; W226-S228 VanDerWaalsContact CB-OG 3.23Å; W226-S228 WeakPolarHBondContact CB-OG 3.44Å; W226-S228 PolarHBondContact O-N 3.18Å
227	N	96.8	Very high	97.1	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	31.4	-174.7	-161.7	52.6	0	0	0	112.6	I193 Y223 Y225 E230 F231	I193-N227 HydrophobicContact CG2-CB 3.87Å; Y223-N227 PolarHBondContact O-N 2.8Å; Y223-N227 VanDerWaalsContact O-N 3.13Å; Y225-N227 PolarHBondContact O-N 3.13Å; N227-E230 PolarHBondContact O-N 2.84Å; N227-E230 WeakPolarHBondContact OD1-CB 3.13Å; N227-E230 WeakPolarHBondContact OD1-CG 3.48Å; N227-F231 PolarHBondContact O-N 3.45Å; N227-F231 VanDerWaalsContact O-N 3.07Å
228	S	98	Very high	97.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-42.5	-168.5	-59.7	0	0	0	0	112.8	Y223 W226 E230 F231 L232 W251	Y223-S228 PolarHBondContact O-N 2.87Å; Y223-S228 VanDerWaalsContact O-N 3.12Å; W226-S228 VanDerWaalsContact CB-OG 3.23Å; W226-S228 WeakPolarHBondContact CB-OG 3.44Å; W226-S228 PolarHBondContact O-N 3.18Å; S228-E230 VanDerWaalsContact C-N 3.33Å; S228-E230 PolarHBondContact O-N 2.85Å; S228-F231 PolarHBondContact O-N 3.4Å; S228-L232 WeakPolarHBondContact O-CB 3.32Å; S228-L232 VanDerWaalsContact O-CG 3.23Å; S228-L232 WeakPolarHBondContact O-CG 3.05Å; S228-L232 PolarHBondContact O-N 2.97Å; S228-W251 WeakPolarHBondContact CB-O 3.22Å; S228-W251 PolarHBondContact OG-O 2.83Å
229	T	98.1	Very high	97.4	Very high	17 Å²	17	37 Å²	37	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-36.5	-178.2	56.9	0	0	0	0	111.9	P24 W26 L29 Y223 L232 A233	P24-T229 WeakPolarHBondContact O-CB 3.08Å; P24-T229 PolarHBondContact O-OG1 2.8Å; W26-T229 HydrophobicContact CD2-CG2 3.97Å; W26-T229 HydrophobicContact CE3-CG2 4.36Å; W26-T229 HydrophobicContact CH2-CG2 4.1Å; W26-T229 HydrophobicContact CZ2-CG2 3.69Å; W26-T229 HydrophobicContact CZ3-CG2 4.42Å; L29-T229 HydrophobicContact CD1-CG2 3.92Å; Y223-T229 HydrophobicContact CD2-CG2 3.87Å; Y223-T229 HydrophobicContact CE2-CG2 4.17Å; T229-L232 PolarHBondContact O-N 2.91Å; T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.39Å; T229-A233 PolarHBondContact O-N 3.39Å
230	E	98.2	Very high	97.6	Very high	99 Å²	99	35.5 Å²	35.5	46%	0.463	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-44.8	172.6	-71.1	-68.9	-178.6	0	0	112	P24 N227 S228 A233 W234	P24-E230 VanDerWaalsContact CB-CD 3.48Å; P24-E230 HydrophobicContact CB-CG 4.05Å; P24-E230 WeakPolarHBondContact CG-OE1 3.47Å; N227-E230 PolarHBondContact O-N 2.84Å; N227-E230 WeakPolarHBondContact OD1-CB 3.13Å; N227-E230 WeakPolarHBondContact OD1-CG 3.48Å; S228-E230 VanDerWaalsContact C-N 3.33Å; S228-E230 PolarHBondContact O-N 2.85Å; E230-A233 PolarHBondContact O-N 3.16Å; E230-W234 PolarHBondContact O-N 2.87Å
231	F	98.4	Very high	97.7	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-45.5	175.1	173	-102.5	0	0	0	111.8	L201 M202 V205 V213 N227 S228 W234 L235 W251	L201-F231 HydrophobicContact CB-CD2 4.04Å; L201-F231 HydrophobicContact CB-CE1 4.5Å; L201-F231 HydrophobicContact CB-CE2 3.54Å; L201-F231 HydrophobicContact CB-CZ 3.8Å; L201-F231 HydrophobicContact CD1-CD1 4.21Å; L201-F231 HydrophobicContact CD1-CD2 4.34Å; L201-F231 HydrophobicContact CD1-CE1 4.28Å; L201-F231 HydrophobicContact CD1-CE2 4.42Å; L201-F231 HydrophobicContact CD1-CG 4.23Å; L201-F231 HydrophobicContact CD1-CZ 4.38Å; L201-F231 HydrophobicContact CD2-CE1 4.4Å; L201-F231 HydrophobicContact CD2-CZ 4.24Å; L201-F231 HydrophobicContact CG-CE2 4.47Å; L201-F231 HydrophobicContact CG-CZ 4.38Å; M202-F231 HydrophobicContact SD-CD2 4.31Å; M202-F231 HydrophobicContact SD-CE2 4.28Å; V205-F231 HydrophobicContact CG2-CZ 4.06Å; V213-F231 HydrophobicContact CG1-CE1 4.38Å; N227-F231 PolarHBondContact O-N 3.45Å; N227-F231 VanDerWaalsContact O-N 3.07Å; S228-F231 PolarHBondContact O-N 3.4Å; F231-W234 HydrophobicContact CD2-CE3 4.09Å; F231-W234 HydrophobicContact CD2-CZ3 4.43Å; F231-W234 AromaticContact CE2-CE3 3.83Å; F231-W234 HydrophobicContact CE2-CE3 3.83Å; F231-W234 AromaticContact CE2-CZ3 3.73Å; F231-W234 HydrophobicContact CE2-CZ3 3.73Å; F231-W234 HydrophobicContact CZ-CZ3 4.35Å; F231-W234 PolarHBondContact O-N 3.23Å; F231-L235 HydrophobicContact CE1-CD2 4.2Å; F231-L235 HydrophobicContact CZ-CD1 4.4Å; F231-L235 WeakPolarHBondContact O-CB 3.21Å; F231-L235 PolarHBondContact O-N 3.31Å; F231-W251 AromaticContact CD1-CH2 3.99Å; F231-W251 HydrophobicContact CD1-CH2 3.99Å; F231-W251 AromaticContact CD1-CZ3 3.74Å; F231-W251 HydrophobicContact CD1-CZ3 3.74Å; F231-W251 AromaticContact CE1-CH2 3.73Å; F231-W251 HydrophobicContact CE1-CH2 3.73Å; F231-W251 AromaticContact CE1-CZ3 3.93Å; F231-W251 HydrophobicContact CE1-CZ3 3.93Å
232	L	98.5	Very high	97.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-39.1	179.2	-69.6	176.3	0	0	0	112.1	W26 L29 S228 T229 W234 L235 Y236 V247 W251	W26-L232 HydrophobicContact CH2-CD1 3.97Å; W26-L232 HydrophobicContact CZ3-CD1 3.73Å; L29-L232 HydrophobicContact CD1-CB 3.9Å; L29-L232 HydrophobicContact CD1-CD1 4.26Å; L29-L232 HydrophobicContact CD2-CB 3.89Å; L29-L232 HydrophobicContact CG-CB 4.49Å; S228-L232 WeakPolarHBondContact O-CB 3.32Å; S228-L232 VanDerWaalsContact O-CG 3.23Å; S228-L232 WeakPolarHBondContact O-CG 3.05Å; S228-L232 PolarHBondContact O-N 2.97Å; T229-L232 PolarHBondContact O-N 2.91Å; L232-W234 PolarHBondContact O-N 3.18Å; L232-L235 HydrophobicContact CD2-CD2 4.08Å; L232-L235 WeakPolarHBondContact O-CB 3.11Å; L232-L235 PolarHBondContact O-N 3.2Å; L232-Y236 WeakPolarHBondContact O-CD2 3.03Å; L232-Y236 VanDerWaalsContact O-CG 3.29Å; L232-Y236 PolarHBondContact O-N 3.46Å; L232-V247 HydrophobicContact CD2-CB 4.27Å; L232-V247 HydrophobicContact CD2-CG1 3.78Å; L232-V247 HydrophobicContact CD2-CG2 4.12Å; L232-W251 HydrophobicContact CD1-CD2 4.11Å; L232-W251 HydrophobicContact CD1-CG 4.09Å; L232-W251 HydrophobicContact CD2-CD2 4.24Å; L232-W251 HydrophobicContact CD2-CH2 4.07Å; L232-W251 HydrophobicContact CD2-CZ2 3.79Å; L232-W251 HydrophobicContact CD2-CZ3 4.42Å; L232-W251 HydrophobicContact CG-CD2 4.38Å
233	A	98.4	Very high	97.7	Very high	5 Å²	5	41 Å²	41	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-43.2	173.6	0	0	0	0	0	111.2	P24 L29 T229 E230 N237	P24-A233 HydrophobicContact CB-CB 4.04Å; L29-A233 HydrophobicContact CD2-CB 4.17Å; T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.39Å; T229-A233 PolarHBondContact O-N 3.39Å; E230-A233 PolarHBondContact O-N 3.16Å; A233-N237 VanDerWaalsContact O-CB 3.26Å; A233-N237 WeakPolarHBondContact O-CB 3.43Å; A233-N237 VanDerWaalsContact O-CG 3.28Å; A233-N237 PolarHBondContact O-N 2.95Å; A233-N237 PolarHBondContact O-ND2 3.47Å
234	W	98.3	Very high	97.7	Very high	56 Å²	56	40.8 Å²	40.8	21%	0.212	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-44.5	171.7	169.7	85.6	0	0	0	111.8	M202 V205 E230 F231 L232 Y236 N237 S238 S239	M202-W234 HydrophobicContact CE-CD2 3.78Å; M202-W234 HydrophobicContact CE-CE3 4.28Å; M202-W234 HydrophobicContact CE-CG 4.33Å; M202-W234 HydrophobicContact CE-CH2 3.9Å; M202-W234 HydrophobicContact CE-CZ2 3.36Å; M202-W234 HydrophobicContact CE-CZ3 4.33Å; M202-W234 HydrophobicContact SD-CD2 3.41Å; M202-W234 VanDerWaalsContact SD-CE2 3.53Å; M202-W234 HydrophobicContact SD-CE3 3.36Å; M202-W234 HydrophobicContact SD-CG 4.17Å; M202-W234 HydrophobicContact SD-CH2 3.56Å; M202-W234 VanDerWaalsContact SD-CH2 3.56Å; M202-W234 HydrophobicContact SD-CZ2 3.63Å; M202-W234 HydrophobicContact SD-CZ3 3.43Å; M202-W234 WeakPolarHBondContact SD-CZ3 3.39Å; V205-W234 HydrophobicContact CB-CH2 3.97Å; V205-W234 HydrophobicContact CB-CZ3 4.07Å; V205-W234 HydrophobicContact CG1-CH2 3.59Å; V205-W234 HydrophobicContact CG1-CZ3 3.79Å; V205-W234 HydrophobicContact CG2-CZ3 4.4Å; E230-W234 PolarHBondContact O-N 2.87Å; F231-W234 HydrophobicContact CD2-CE3 4.09Å; F231-W234 HydrophobicContact CD2-CZ3 4.43Å; F231-W234 AromaticContact CE2-CE3 3.83Å; F231-W234 HydrophobicContact CE2-CE3 3.83Å; F231-W234 AromaticContact CE2-CZ3 3.73Å; F231-W234 HydrophobicContact CE2-CZ3 3.73Å; F231-W234 HydrophobicContact CZ-CZ3 4.35Å; F231-W234 PolarHBondContact O-N 3.23Å; L232-W234 PolarHBondContact O-N 3.18Å; W234-Y236 VanDerWaalsContact C-N 3.29Å; W234-Y236 PolarHBondContact O-N 3.33Å; W234-N237 PolarHBondContact O-N 2.75Å; W234-S238 PolarHBondContact O-N 2.93Å; W234-S239 PolarHBondContact O-N 3.18Å
235	L	98.5	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-43.8	-178.6	-175.2	67.1	0	0	0	110.9	V205 V213 F231 L232 S239 V241 K242 V245 V247	V205-L235 HydrophobicContact CG1-CD1 3.88Å; V205-L235 HydrophobicContact CG2-CD1 4Å; V213-L235 HydrophobicContact CG2-CD2 4.45Å; F231-L235 HydrophobicContact CE1-CD2 4.2Å; F231-L235 HydrophobicContact CZ-CD1 4.4Å; F231-L235 WeakPolarHBondContact O-CB 3.21Å; F231-L235 PolarHBondContact O-N 3.31Å; L232-L235 HydrophobicContact CD2-CD2 4.08Å; L232-L235 WeakPolarHBondContact O-CB 3.11Å; L232-L235 PolarHBondContact O-N 3.2Å; L235-S239 VanDerWaalsContact O-CB 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.32Å; L235-S239 PolarHBondContact O-OG 3.5Å; L235-V241 HydrophobicContact CD1-CG2 3.82Å; L235-K242 WeakPolarHBondContact O-CA 3.37Å; L235-K242 VanDerWaalsContact O-CB 3.31Å; L235-K242 WeakPolarHBondContact O-CB 3.21Å; L235-V245 HydrophobicContact CD1-CG1 4.35Å; L235-V245 HydrophobicContact CD1-CG2 4.35Å; L235-V245 HydrophobicContact CD2-CG1 4.09Å; L235-V245 HydrophobicContact CD2-CG2 4.06Å; L235-V245 HydrophobicContact CG-CG1 3.91Å; L235-V245 HydrophobicContact CG-CG2 4.43Å; L235-V247 HydrophobicContact CD2-CG1 3.62Å
236	Y	98	Very high	97.9	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-85.7	-18.9	-177.3	-59.5	-25	0	0	0	115	Y22 L29 R32 L232 W234 K242 V245 V247	Y22-Y236 VanDerWaalsContact CD2-CB 3.42Å; Y22-Y236 HydrophobicContact CD2-CD2 4.41Å; Y22-Y236 HydrophobicContact CD2-CG 4.37Å; Y22-Y236 HydrophobicContact CG-CD2 4.35Å; L29-Y236 HydrophobicContact CB-CE2 4.46Å; L29-Y236 HydrophobicContact CD2-CD2 3.75Å; L29-Y236 HydrophobicContact CD2-CE2 4.02Å; R32-Y236 HydrophobicContact CB-CD2 4.35Å; R32-Y236 HydrophobicContact CB-CE2 4.2Å; R32-Y236 VanDerWaalsContact CD-CD2 3.42Å; L232-Y236 WeakPolarHBondContact O-CD2 3.03Å; L232-Y236 VanDerWaalsContact O-CG 3.29Å; L232-Y236 PolarHBondContact O-N 3.46Å; W234-Y236 VanDerWaalsContact C-N 3.29Å; W234-Y236 PolarHBondContact O-N 3.33Å; Y236-K242 WeakPolarHBondContact O-CB 3.43Å; Y236-V245 HydrophobicContact CD1-CG1 4.03Å; Y236-V245 HydrophobicContact CE1-CG1 4.01Å; Y236-V247 HydrophobicContact CE1-CG1 4.38Å; Y236-V247 WeakPolarHBondContact OH-CG2 3.43Å
237	N	97.7	Very high	97.9	Very high	36 Å²	36	36.2 Å²	36.2	19%	0.193	19%	0.191	C	C	.	.	H	α-helix	trans	-98.9	-40.2	-179.9	-71.8	-49.8	0	0	0	113.4	K21 Y22 A233 W234 K242	K21-N237 VanDerWaalsContact CA-OD1 3.26Å; K21-N237 WeakPolarHBondContact CA-OD1 3.03Å; K21-N237 WeakPolarHBondContact CB-OD1 3.22Å; Y22-N237 PolarHBondContact N-ND2 3.05Å; Y22-N237 PolarHBondContact N-OD1 3.34Å; Y22-N237 PolarHBondContact O-ND2 3.44Å; A233-N237 VanDerWaalsContact O-CB 3.26Å; A233-N237 WeakPolarHBondContact O-CB 3.43Å; A233-N237 VanDerWaalsContact O-CG 3.28Å; A233-N237 PolarHBondContact O-N 2.95Å; A233-N237 PolarHBondContact O-ND2 3.47Å; W234-N237 PolarHBondContact O-N 2.75Å; N237-K242 WeakPolarHBondContact O-CD 3.32Å
238	S	97.2	Very high	98	Very high	81 Å²	81	33.4 Å²	33.4	57%	0.566	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-18.6	-157.8	-59.7	0	0	0	0	114.3	W234	W234-S238 PolarHBondContact O-N 2.93Å
239	S	98	Very high	98	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-68	160.6	-179.8	85.6	0	0	0	0	112.5	W234 L235 V241 K242	W234-S239 PolarHBondContact O-N 3.18Å; L235-S239 VanDerWaalsContact O-CB 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.32Å; L235-S239 PolarHBondContact O-OG 3.5Å; S239-V241 PolarHBondContact O-N 2.99Å; S239-V241 VanDerWaalsContact OG-CG2 3.32Å; S239-V241 WeakPolarHBondContact OG-CG2 3.29Å; S239-V241 PolarHBondContact OG-N 2.81Å; S239-K242 WeakPolarHBondContact O-CG 3.21Å; S239-K242 PolarHBondContact O-N 2.8Å; S239-K242 PolarHBondContact OG-N 3.28Å
240	P	98.3	Very high	98	Very high	65 Å²	65	33.1 Å²	33.1	42%	0.422	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.1	174.8	27.9	-36.5	0	0	0	114.5	V205 K209	V205-P240 HydrophobicContact CG1-CG 4.43Å; K209-P240 HydrophobicContact CD-CB 4.46Å; K209-P240 HydrophobicContact CG-CB 4.16Å; K209-P240 HydrophobicContact CG-CG 4.02Å
241	V	98.3	Very high	98	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.091	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	5.2	-176.1	-62.8	0	0	0	0	113.3	V205 K209 L235 S239 D243 E244 V245	V205-V241 HydrophobicContact CG1-CG2 3.85Å; K209-V241 VanDerWaalsContact CA-CG1 3.44Å; K209-V241 HydrophobicContact CB-CG1 3.64Å; K209-V241 HydrophobicContact CG-CG1 4.41Å; K209-V241 WeakPolarHBondContact O-CG1 3.35Å; L235-V241 HydrophobicContact CD1-CG2 3.82Å; S239-V241 PolarHBondContact O-N 2.99Å; S239-V241 VanDerWaalsContact OG-CG2 3.32Å; S239-V241 WeakPolarHBondContact OG-CG2 3.29Å; S239-V241 PolarHBondContact OG-N 2.81Å; V241-D243 PolarHBondContact O-N 2.89Å; V241-E244 PolarHBondContact O-N 3.41Å; V241-V245 HydrophobicContact CB-CB 4Å; V241-V245 HydrophobicContact CG2-CB 3.7Å; V241-V245 HydrophobicContact CG2-CG1 4.13Å; V241-V245 HydrophobicContact CG2-CG2 3.97Å; V241-V245 WeakPolarHBondContact O-CB 3.03Å; V241-V245 WeakPolarHBondContact O-CG1 3.42Å; V241-V245 PolarHBondContact O-N 3.49Å
242	K	97.4	Very high	98	Very high	80 Å²	80	28.1 Å²	28.1	35%	0.348	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-34.7	-171.9	62.5	-178.1	-174.6	176.4	0	115.4	R32 L235 Y236 N237 S239	R32-K242 PolarHBondContact NH2-O 3.43Å; L235-K242 WeakPolarHBondContact O-CA 3.37Å; L235-K242 VanDerWaalsContact O-CB 3.31Å; L235-K242 WeakPolarHBondContact O-CB 3.21Å; Y236-K242 WeakPolarHBondContact O-CB 3.43Å; N237-K242 WeakPolarHBondContact O-CD 3.32Å; S239-K242 WeakPolarHBondContact O-CG 3.21Å; S239-K242 PolarHBondContact O-N 2.8Å; S239-K242 PolarHBondContact OG-N 3.28Å
243	D	95.6	Very high	97.9	Very high	131 Å²	131	34.5 Å²	34.5	70%	0.701	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.2	-174.3	-57.4	-46.3	0	0	0	112.9	V241	V241-D243 PolarHBondContact O-N 2.89Å
244	E	96.7	Very high	97.8	Very high	85 Å²	85	36.7 Å²	36.7	40%	0.397	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-9.2	-170.1	-63.6	-166.2	130.5	0	0	114.7	P35 W37 R164 V241	P35-E244 VanDerWaalsContact CG-O 3.31Å; P35-E244 WeakPolarHBondContact CG-O 3.27Å; W37-E244 PolarHBondContact NE1-O 3.22Å; R164-E244 IonicContact CZ-OE1 2.74Å; R164-E244 IonicContact CZ-OE2 2.69Å; R164-E244 IonicContact NH1-OE1 3.15Å; R164-E244 IonicContact NH1-OE2 2.94Å; R164-E244 PolarHBondContact NH1-OE2 2.81Å; R164-E244 VanDerWaalsContact NH2-CD 3.33Å; R164-E244 IonicContact NH2-OE1 2.78Å; R164-E244 PolarHBondContact NH2-OE1 3.4Å; R164-E244 IonicContact NH2-OE2 2.8Å; R164-E244 PolarHBondContact NH2-OE2 3.5Å; V241-E244 PolarHBondContact O-N 3.41Å
245	V	98.6	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.			trans	-65.1	143.6	-176.6	65.1	0	0	0	0	112.7	R32 D211 V213 L235 Y236 V241	R32-V245 VanDerWaalsContact CZ-O 3.23Å; R32-V245 PolarHBondContact NH1-O 2.75Å; R32-V245 PolarHBondContact NH2-O 2.92Å; D211-V245 CarbonylContact O-C 3.57Å; D211-V245 WeakPolarHBondContact O-CA 3.4Å; V213-V245 HydrophobicContact CG2-CG2 3.94Å; L235-V245 HydrophobicContact CD1-CG1 4.35Å; L235-V245 HydrophobicContact CD1-CG2 4.35Å; L235-V245 HydrophobicContact CD2-CG1 4.09Å; L235-V245 HydrophobicContact CD2-CG2 4.06Å; L235-V245 HydrophobicContact CG-CG1 3.91Å; L235-V245 HydrophobicContact CG-CG2 4.43Å; Y236-V245 HydrophobicContact CD1-CG1 4.03Å; Y236-V245 HydrophobicContact CE1-CG1 4.01Å; V241-V245 HydrophobicContact CB-CB 4Å; V241-V245 HydrophobicContact CG2-CB 3.7Å; V241-V245 HydrophobicContact CG2-CG1 4.13Å; V241-V245 HydrophobicContact CG2-CG2 3.97Å; V241-V245 WeakPolarHBondContact O-CB 3.03Å; V241-V245 WeakPolarHBondContact O-CG1 3.42Å; V241-V245 PolarHBondContact O-N 3.49Å
246	V	98.7	Very high	97.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.7	173.1	178.6	0	0	0	0	109.3	L34 P35 W37 Y38 D211 V212 V213 V262	L34-V246 HydrophobicContact CD1-CG1 4.24Å; L34-V246 HydrophobicContact CD1-CG2 4.32Å; P35-V246 HydrophobicContact CB-CG2 4.48Å; P35-V246 HydrophobicContact CG-CG2 4.13Å; W37-V246 HydrophobicContact CH2-CG2 4.24Å; W37-V246 HydrophobicContact CZ2-CB 4.4Å; W37-V246 HydrophobicContact CZ2-CG2 3.55Å; Y38-V246 HydrophobicContact CD1-CG1 4.45Å; Y38-V246 HydrophobicContact CD2-CB 4.2Å; Y38-V246 HydrophobicContact CD2-CG1 3.92Å; Y38-V246 HydrophobicContact CD2-CG2 3.8Å; Y38-V246 HydrophobicContact CE1-CG1 4.47Å; Y38-V246 HydrophobicContact CE2-CG1 3.92Å; Y38-V246 HydrophobicContact CG-CG1 4.17Å; Y38-V246 HydrophobicContact CG-CG2 3.85Å; D211-V246 PolarHBondContact O-N 3.48Å; V212-V246 CarbonylContact C-O 3.55Å; V212-V246 WeakPolarHBondContact CA-O 3.13Å; V212-V246 HydrophobicContact CG1-CB 4.46Å; V212-V246 HydrophobicContact CG2-CB 4.3Å; V213-V246 PolarHBondContact N-O 3.45Å; V246-V262 HydrophobicContact CG1-CG2 3.62Å
247	V	98.7	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	172.4	-53.3	0	0	0	0	109.8	V213 L232 L235 Y236 W251 G261 V262	V213-V247 HydrophobicContact CB-CG1 4.42Å; V213-V247 WeakPolarHBondContact O-CA 3.24Å; L232-V247 HydrophobicContact CD2-CB 4.27Å; L232-V247 HydrophobicContact CD2-CG1 3.78Å; L232-V247 HydrophobicContact CD2-CG2 4.12Å; L235-V247 HydrophobicContact CD2-CG1 3.62Å; Y236-V247 HydrophobicContact CE1-CG1 4.38Å; Y236-V247 WeakPolarHBondContact OH-CG2 3.43Å; V247-W251 HydrophobicContact CB-CZ2 3.75Å; V247-W251 HydrophobicContact CG1-CZ2 3.87Å; V247-G261 PolarHBondContact O-N 3.14Å; V247-V262 PolarHBondContact O-N 3.49Å
248	N	98.5	Very high	97.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	24%	0.238	C	C	.	.			trans	-84.5	-165.7	173.2	73.8	-29.4	0	0	0	111.4	W214 S215 W251 V262 T264	W214-N248 HydrophobicContact CD2-CB 4.24Å; W214-N248 VanDerWaalsContact CD2-ND2 3.25Å; W214-N248 HydrophobicContact CG-CB 4.31Å; W214-N248 WeakPolarHBondContact CZ2-ND2 3.48Å; W214-N248 WeakPolarHBondContact CZ3-ND2 3.27Å; S215-N248 PolarHBondContact N-OD1 2.98Å; S215-N248 PolarHBondContact O-ND2 3.45Å; S215-N248 PolarHBondContact O-OD1 2.87Å; N248-W251 PolarHBondContact O-NE1 2.85Å; N248-V262 CarbonylContact C-O 3.41Å; N248-V262 WeakPolarHBondContact CA-O 3.37Å; N248-T264 HydrophobicContact CB-CG2 4.12Å
249	D	98	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-103.8	12.7	-173.3	62.6	-20	0	0	0	115	T255 M256 C257 H259 V262 F263 T264 C265	D249-T255 CarbonylContact O-C 3.47Å; D249-T255 WeakPolarHBondContact O-CB 3.2Å; D249-T255 PolarHBondContact O-OG1 2.93Å; D249-M256 WeakPolarHBondContact O-CA 3.44Å; D249-M256 PolarHBondContact O-N 3.08Å; D249-C257 PolarHBondContact OD2-N 2.54Å; D249-H259 WeakPolarHBondContact CA-O 3.49Å; D249-H259 WeakPolarHBondContact CB-O 3.41Å; D249-V262 PolarHBondContact N-O 3.24Å; D249-F263 HydrophobicContact CB-CD1 4.06Å; D249-F263 WeakPolarHBondContact OD2-CA 3.23Å; D249-T264 VanDerWaalsContact OD1-CB 3.32Å; D249-T264 WeakPolarHBondContact OD1-CB 3.48Å; D249-T264 WeakPolarHBondContact OD1-CG2 3.21Å; D249-T264 PolarHBondContact OD1-N 3.35Å; D249-T264 PolarHBondContact OD1-OG1 3.26Å; D249-T264 PolarHBondContact OD2-N 3.41Å; D249-C265 PolarHBondContact OD2-N 3.24Å; D249-C265 VanDerWaalsContact OD2-N 3.11Å
250	R	98.2	Very high	97.5	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.049	22%	0.222	C	C	.	.			trans	-108.1	59.1	-173.5	-58	-173.6	-174	-165.6	-0.4	112.9	S215 D216 D218 T264 G266 D267	S215-R250 VanDerWaalsContact CB-O 3.27Å; S215-R250 WeakPolarHBondContact CB-O 3.21Å; S215-R250 WeakPolarHBondContact O-CB 3.28Å; S215-R250 PolarHBondContact OG-O 3.41Å; D216-R250 VanDerWaalsContact OD1-CD 3.24Å; D216-R250 WeakPolarHBondContact OD1-CD 3.36Å; D216-R250 IonicContact OD1-CZ 3.79Å; D216-R250 IonicContact OD1-NE 3.77Å; D216-R250 IonicContact OD1-NH1 3.64Å; D216-R250 PolarHBondContact OD1-NH1 2.76Å; D218-R250 HydrophobicContact CB-CB 4.05Å; R250-T264 PolarHBondContact NE-OG1 3.42Å; R250-T264 VanDerWaalsContact NE-OG1 3.13Å; R250-G266 VanDerWaalsContact NH2-C 3.34Å; R250-D267 IonicContact CZ-OD1 3.82Å; R250-D267 IonicContact NH1-OD1 3.97Å; R250-D267 PolarHBondContact NH1-OD1 2.67Å; R250-D267 VanDerWaalsContact NH1-OD1 3.16Å; R250-D267 IonicContact NH2-OD1 2.9Å; R250-D267 PolarHBondContact NH2-OD1 2.91Å
251	W	98.2	Very high	97.4	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.209	C	C	.	.	S	Bend	trans	-103.3	6.3	-175.3	-69.9	100.1	0	0	0	114	W26 V213 Y223 S228 F231 L232 V247 N248 T255	W26-W251 HydrophobicContact CH2-CB 3.86Å; W26-W251 HydrophobicContact CH2-CG 4.47Å; V213-W251 HydrophobicContact CG1-CH2 3.85Å; V213-W251 HydrophobicContact CG1-CZ2 4.34Å; Y223-W251 WeakPolarHBondContact CB-O 3.41Å; S228-W251 WeakPolarHBondContact CB-O 3.22Å; S228-W251 PolarHBondContact OG-O 2.83Å; F231-W251 AromaticContact CD1-CH2 3.99Å; F231-W251 HydrophobicContact CD1-CH2 3.99Å; F231-W251 AromaticContact CD1-CZ3 3.74Å; F231-W251 HydrophobicContact CD1-CZ3 3.74Å; F231-W251 AromaticContact CE1-CH2 3.73Å; F231-W251 HydrophobicContact CE1-CH2 3.73Å; F231-W251 AromaticContact CE1-CZ3 3.93Å; F231-W251 HydrophobicContact CE1-CZ3 3.93Å; L232-W251 HydrophobicContact CD1-CD2 4.11Å; L232-W251 HydrophobicContact CD1-CG 4.09Å; L232-W251 HydrophobicContact CD2-CD2 4.24Å; L232-W251 HydrophobicContact CD2-CH2 4.07Å; L232-W251 HydrophobicContact CD2-CZ2 3.79Å; L232-W251 HydrophobicContact CD2-CZ3 4.42Å; L232-W251 HydrophobicContact CG-CD2 4.38Å; V247-W251 HydrophobicContact CB-CZ2 3.75Å; V247-W251 HydrophobicContact CG1-CZ2 3.87Å; N248-W251 PolarHBondContact O-NE1 2.85Å; W251-T255 HydrophobicContact CB-CG2 4.4Å; W251-T255 PolarHBondContact N-OG1 3.29Å
252	G	97.7	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	150.6	173.2	173.7	0	0	0	0	0	112.1	D218 G254 T255	D218-G252 CarbonylContact O-C 3.59Å; G252-G254 PolarHBondContact O-N 3.04Å; G252-G254 VanDerWaalsContact O-N 3.09Å; G252-T255 PolarHBondContact N-OG1 3.27Å; G252-T255 WeakPolarHBondContact O-CB 3.41Å; G252-T255 VanDerWaalsContact O-CG2 3.32Å; G252-T255 WeakPolarHBondContact O-CG2 3.31Å; G252-T255 PolarHBondContact O-N 3.43Å; G252-T255 PolarHBondContact O-OG1 2.49Å
253	K	97.3	Very high	97.4	Very high	135 Å²	135	36.3 Å²	36.3	59%	0.587	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	122	-171.8	-175.8	178.3	-175	176.3	0	110.4	D218 A221	D218-K253 WeakPolarHBondContact O-CA 3.43Å; D218-K253 PolarHBondContact O-N 2.84Å; A221-K253 WeakPolarHBondContact O-CB 3.03Å; A221-K253 PolarHBondContact O-N 3.22Å
254	G	96	Very high	97.5	Very high	51 Å²	51	30.1 Å²	30.1	53%	0.526	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	6.4	179.7	0	0	0	0	0	115.3	G252 H258	G252-G254 PolarHBondContact O-N 3.04Å; G252-G254 VanDerWaalsContact O-N 3.09Å; G254-H258 PolarHBondContact O-CD2 3.33Å
255	T	97.4	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.			trans	-85	-27.6	176	65.6	0	0	0	0	113.3	W26 Y223 D249 W251 G252 C257 H258 H259	W26-T255 HydrophobicContact CH2-CG2 4.1Å; W26-T255 HydrophobicContact CZ2-CG2 3.58Å; Y223-T255 HydrophobicContact CD1-CG2 4.14Å; Y223-T255 HydrophobicContact CG-CG2 4.48Å; D249-T255 CarbonylContact O-C 3.47Å; D249-T255 WeakPolarHBondContact O-CB 3.2Å; D249-T255 PolarHBondContact O-OG1 2.93Å; W251-T255 HydrophobicContact CB-CG2 4.4Å; W251-T255 PolarHBondContact N-OG1 3.29Å; G252-T255 PolarHBondContact N-OG1 3.27Å; G252-T255 WeakPolarHBondContact O-CB 3.41Å; G252-T255 VanDerWaalsContact O-CG2 3.32Å; G252-T255 WeakPolarHBondContact O-CG2 3.31Å; G252-T255 PolarHBondContact O-N 3.43Å; G252-T255 PolarHBondContact O-OG1 2.49Å; T255-C257 PolarHBondContact O-N 2.76Å; T255-H258 PolarHBondContact O-N 3Å; T255-H259 PolarHBondContact O-N 2.84Å
256	M	97.2	Very high	97.3	Very high	67 Å²	67	28.1 Å²	28.1	33%	0.33	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.4	-177	-174.9	175.3	61.5	0	0	111	D249 H258 G266	D249-M256 WeakPolarHBondContact O-CA 3.44Å; D249-M256 PolarHBondContact O-N 3.08Å; M256-H258 PolarHBondContact O-CD2 2.99Å; M256-H258 PolarHBondContact O-N 3.43Å; M256-G266 PolarHBondContact SD-N 2.92Å
257	C	96.6	Very high	97.1	Very high	52 Å²	52	32 Å²	32	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	13	-174.4	-140.5	0	0	0	0	115	D249 T255 C265	D249-C257 PolarHBondContact OD2-N 2.54Å; T255-C257 PolarHBondContact O-N 2.76Å; C257-C265 HydrophobicContact CB-CB 3.79Å; C257-C265 WeakPolarHBondContact CB-SG 3.21Å; C257-C265 WeakPolarHBondContact SG-CB 3.32Å; C257-C265 CovalentContact SG-SG 2.06Å; C257-C265 PolarHBondContact SG-SG 3.34Å
258	H	97.1	Very high	97	Very high	125 Å²	125	36.9 Å²	36.9	58%	0.579	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128	-40.4	-177.5	-66.9	-64.2	0	0	0	113.9	G254 T255 M256	G254-H258 PolarHBondContact O-CD2 3.33Å; T255-H258 PolarHBondContact O-N 3Å; M256-H258 PolarHBondContact O-CD2 2.99Å; M256-H258 PolarHBondContact O-N 3.43Å
259	H	97.4	Very high	96.8	Very high	44 Å²	44	39.3 Å²	39.3	20%	0.204	21%	0.21	C	C	.	.	S	Bend	trans	-130.7	163.2	-173.2	-62.7	-53.8	0	0	0	111.9	W26 D30 D249 T255	W26-H259 VanDerWaalsContact CB-CE1 3.43Å; W26-H259 WeakPolarHBondContact CB-CE1 3.44Å; W26-H259 WeakPolarHBondContact CB-ND1 3.38Å; W26-H259 AromaticContact CD1-CD2 3.83Å; W26-H259 AromaticContact CD1-CE1 3.71Å; W26-H259 AromaticContact CD1-NE2 3.5Å; W26-H259 HydrophobicContact CD2-CB 3.87Å; W26-H259 AromaticContact CD2-CD2 3.72Å; W26-H259 AromaticContact CD2-CG 3.48Å; W26-H259 VanDerWaalsContact CD2-CG 3.48Å; W26-H259 AromaticContact CD2-ND1 3.71Å; W26-H259 AromaticContact CE2-CD2 3.72Å; W26-H259 AromaticContact CE2-CG 3.91Å; W26-H259 HydrophobicContact CE3-CB 3.52Å; W26-H259 AromaticContact CE3-CG 3.67Å; W26-H259 AromaticContact CE3-ND1 3.98Å; W26-H259 AromaticContact CG-CD2 3.82Å; W26-H259 AromaticContact CG-CE1 3.44Å; W26-H259 VanDerWaalsContact CG-CE1 3.44Å; W26-H259 AromaticContact CG-CG 3.74Å; W26-H259 AromaticContact CG-ND1 3.5Å; W26-H259 AromaticContact CG-NE2 3.65Å; W26-H259 HydrophobicContact CH2-CB 4.15Å; W26-H259 HydrophobicContact CZ2-CB 4.43Å; W26-H259 HydrophobicContact CZ3-CB 3.68Å; W26-H259 AromaticContact NE1-CD2 3.78Å; W26-H259 AromaticContact NE1-NE2 3.85Å; D30-H259 IonicContact OD2-CE1 3.52Å; D30-H259 IonicContact OD2-CG 3.42Å; D30-H259 IonicContact OD2-ND1 3.56Å; D30-H259 PolarHBondContact OD2-ND1 2.94Å; D249-H259 WeakPolarHBondContact CA-O 3.49Å; D249-H259 WeakPolarHBondContact CB-O 3.41Å; T255-H259 PolarHBondContact O-N 2.84Å
260	G	95.7	Very high	96.7	Very high	4 Å²	4	43 Å²	43	4%	0.041	23%	0.227	C	C	.	.	S	Bend	trans	95.7	165.3	176.8	0	0	0	0	0	113.9	D30 V262 H277	D30-G260 PolarHBondContact OD1-N 2.73Å; G260-V262 VanDerWaalsContact C-N 3.29Å; G260-V262 PolarHBondContact O-N 2.8Å; G260-H277 PolarHBondContact O-CE1 3.13Å
261	G	95.8	Very high	96.6	Very high	15 Å²	15	43.1 Å²	43.1	16%	0.155	23%	0.229	C	C	.	.	S	Bend	trans	-71.6	-21.8	-171.9	0	0	0	0	0	114.3	V247 H277	V247-G261 PolarHBondContact O-N 3.14Å; G261-H277 PolarHBondContact O-CE1 2.86Å; G261-H277 VanDerWaalsContact O-CE1 3.31Å
262	V	98	Very high	96.3	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.272	C	S	.	.	S	Bend	trans	-144.7	131.3	179.7	-174.3	0	0	0	0	109.7	L34 Y38 V246 V247 N248 D249 G260 K278 W279 E280	L34-V262 HydrophobicContact CD1-CG2 3.72Å; Y38-V262 HydrophobicContact CD1-CG2 3.94Å; Y38-V262 HydrophobicContact CE1-CB 4.31Å; Y38-V262 HydrophobicContact CE1-CG1 4Å; Y38-V262 HydrophobicContact CE1-CG2 3.35Å; V246-V262 HydrophobicContact CG1-CG2 3.62Å; V247-V262 PolarHBondContact O-N 3.49Å; N248-V262 CarbonylContact C-O 3.41Å; N248-V262 WeakPolarHBondContact CA-O 3.37Å; D249-V262 PolarHBondContact N-O 3.24Å; G260-V262 VanDerWaalsContact C-N 3.29Å; G260-V262 PolarHBondContact O-N 2.8Å; V262-K278 HydrophobicContact CG1-CG 4.35Å; V262-K278 HydrophobicContact CG2-CG 4.41Å; V262-W279 VanDerWaalsContact CG1-C 3.48Å; V262-E280 HydrophobicContact CG1-CB 3.72Å
263	F	98.1	Very high	96.2	Very high	34 Å²	34	58 Å²	58	15%	0.149	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-88	131.3	178.7	-66.2	-4.2	0	0	0	111.4	D249 H277 K278 W279 E280	D249-F263 HydrophobicContact CB-CD1 4.06Å; D249-F263 WeakPolarHBondContact OD2-CA 3.23Å; F263-H277 AromaticContact CD1-CE1 3.86Å; F263-H277 AromaticContact CD1-ND1 3.64Å; F263-H277 HydrophobicContact CD2-CB 3.87Å; F263-H277 AromaticContact CD2-CG 3.99Å; F263-H277 AromaticContact CD2-ND1 3.93Å; F263-H277 AromaticContact CE1-CE1 3.72Å; F263-H277 AromaticContact CE1-ND1 3.75Å; F263-H277 HydrophobicContact CE2-CB 3.76Å; F263-H277 AromaticContact CE2-CG 3.78Å; F263-H277 AromaticContact CG-ND1 3.73Å; F263-H277 HydrophobicContact CZ-CB 4.32Å; F263-H277 AromaticContact CZ-CG 3.84Å; F263-H277 AromaticContact CZ-ND1 3.96Å; F263-K278 PolarHBondContact N-O 3.17Å; F263-W279 HydrophobicContact CB-CB 4.29Å; F263-W279 CarbonylContact O-C 3.6Å; F263-W279 WeakPolarHBondContact O-CA 3.32Å; F263-W279 WeakPolarHBondContact O-CB 3.35Å; F263-E280 PolarHBondContact O-N 3.13Å
264	T	97.8	Very high	96.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.			trans	-96.8	-34.9	169.6	66.8	0	0	0	0	109.8	W214 N248 D249 R250 G266 F269	W214-T264 HydrophobicContact CH2-CG2 4.42Å; W214-T264 HydrophobicContact CZ2-CG2 3.63Å; N248-T264 HydrophobicContact CB-CG2 4.12Å; D249-T264 VanDerWaalsContact OD1-CB 3.32Å; D249-T264 WeakPolarHBondContact OD1-CB 3.48Å; D249-T264 WeakPolarHBondContact OD1-CG2 3.21Å; D249-T264 PolarHBondContact OD1-N 3.35Å; D249-T264 PolarHBondContact OD1-OG1 3.26Å; D249-T264 PolarHBondContact OD2-N 3.41Å; R250-T264 PolarHBondContact NE-OG1 3.42Å; R250-T264 VanDerWaalsContact NE-OG1 3.13Å; T264-G266 PolarHBondContact O-N 3.41Å; T264-F269 WeakPolarHBondContact O-CB 3.36Å; T264-F269 VanDerWaalsContact O-CD1 3.31Å; T264-F269 WeakPolarHBondContact O-CD1 3.5Å; T264-F269 VanDerWaalsContact O-CG 3.25Å; T264-F269 WeakPolarHBondContact O-CG 3.41Å
265	C	96.5	Very high	96.1	Very high	28 Å²	28	54.7 Å²	54.7	19%	0.189	28%	0.282	C	S	.	.			trans	53.6	13.6	-176.9	-55.1	0	0	0	0	114.8	D249 C257 F269	D249-C265 PolarHBondContact OD2-N 3.24Å; D249-C265 VanDerWaalsContact OD2-N 3.11Å; C257-C265 HydrophobicContact CB-CB 3.79Å; C257-C265 WeakPolarHBondContact CB-SG 3.21Å; C257-C265 WeakPolarHBondContact SG-CB 3.32Å; C257-C265 CovalentContact SG-SG 2.06Å; C257-C265 PolarHBondContact SG-SG 3.34Å; C265-F269 HydrophobicContact CB-CD1 3.84Å; C265-F269 HydrophobicContact CB-CD2 3.77Å; C265-F269 HydrophobicContact CB-CE1 3.8Å; C265-F269 HydrophobicContact CB-CE2 3.73Å; C265-F269 HydrophobicContact CB-CG 3.82Å; C265-F269 HydrophobicContact CB-CZ 3.75Å
266	G	95.3	Very high	96	Very high	16 Å²	16	61.3 Å²	61.3	17%	0.165	33%	0.328	C	S	.	.	S	Bend	trans	128.4	172.7	-178.5	0	0	0	0	0	113.1	R250 M256 T264	R250-G266 VanDerWaalsContact NH2-C 3.34Å; M256-G266 PolarHBondContact SD-N 2.92Å; T264-G266 PolarHBondContact O-N 3.41Å
267	D	94.5	Very high	95.9	Very high	82 Å²	82	61.3 Å²	61.3	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	141.8	172.4	-67.9	-3.3	0	0	0	110	R250 F269 W290	R250-D267 IonicContact CZ-OD1 3.82Å; R250-D267 IonicContact NH1-OD1 3.97Å; R250-D267 PolarHBondContact NH1-OD1 2.67Å; R250-D267 VanDerWaalsContact NH1-OD1 3.16Å; R250-D267 IonicContact NH2-OD1 2.9Å; R250-D267 PolarHBondContact NH2-OD1 2.91Å; D267-F269 PolarHBondContact O-N 2.93Å; D267-F269 VanDerWaalsContact O-N 3.14Å; D267-W290 HydrophobicContact CB-CZ2 4.12Å
268	R	95.1	Very high	96	Very high	104 Å²	104	60 Å²	60	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	29.4	177.4	-50.4	174.1	-174.6	163.3	2	113.2	E270 N281 C282 M283 T284 R287 D288	R268-E270 PolarHBondContact O-N 3.39Å; R268-N281 WeakPolarHBondContact CA-OD1 2.99Å; R268-C282 WeakPolarHBondContact CA-O 3.14Å; R268-C282 PolarHBondContact N-O 3Å; R268-M283 HydrophobicContact CG-CB 3.97Å; R268-T284 PolarHBondContact NH2-OG1 3.15Å; R268-R287 PolarHBondContact NH1-O 2.81Å; R268-R287 PolarHBondContact NH2-O 3.28Å; R268-D288 PolarHBondContact NH2-O 2.76Å
269	F	96.1	Very high	96	Very high	54 Å²	54	54.2 Å²	54.2	24%	0.237	29%	0.288	C	S	.	.			trans	-61.5	127.4	-179.4	179	-117.6	0	0	0	110.6	T264 C265 D267 P271 W279 N281	T264-F269 WeakPolarHBondContact O-CB 3.36Å; T264-F269 VanDerWaalsContact O-CD1 3.31Å; T264-F269 WeakPolarHBondContact O-CD1 3.5Å; T264-F269 VanDerWaalsContact O-CG 3.25Å; T264-F269 WeakPolarHBondContact O-CG 3.41Å; C265-F269 HydrophobicContact CB-CD1 3.84Å; C265-F269 HydrophobicContact CB-CD2 3.77Å; C265-F269 HydrophobicContact CB-CE1 3.8Å; C265-F269 HydrophobicContact CB-CE2 3.73Å; C265-F269 HydrophobicContact CB-CG 3.82Å; C265-F269 HydrophobicContact CB-CZ 3.75Å; D267-F269 PolarHBondContact O-N 2.93Å; D267-F269 VanDerWaalsContact O-N 3.14Å; F269-P271 HydrophobicContact CE1-CB 4.01Å; F269-P271 HydrophobicContact CE1-CG 4Å; F269-P271 HydrophobicContact CE2-CB 4.5Å; F269-P271 HydrophobicContact CZ-CB 3.76Å; F269-P271 HydrophobicContact CZ-CG 4.28Å; F269-W279 HydrophobicContact CD1-CD2 4.36Å; F269-W279 AromaticContact CD1-CE3 3.66Å; F269-W279 HydrophobicContact CD1-CE3 3.66Å; F269-W279 HydrophobicContact CD1-CZ3 4.04Å; F269-W279 HydrophobicContact CE1-CD2 4.36Å; F269-W279 HydrophobicContact CE1-CE3 4.09Å; F269-W279 WeakPolarHBondContact O-CZ3 3.2Å; F269-N281 VanDerWaalsContact O-CG 3.31Å; F269-N281 PolarHBondContact O-OD1 2.94Å
270	E	94.2	Very high	96.1	Very high	77 Å²	77	52.2 Å²	52.2	36%	0.36	28%	0.279	S	S	.	.			trans	-135.8	98.3	174.2	-163.8	-176.2	135.1	0	0	108.2	R268 R313	R268-E270 PolarHBondContact O-N 3.39Å; E270-R313 VanDerWaalsContact CD-NE 3.33Å; E270-R313 VanDerWaalsContact OE1-CD 3.3Å; E270-R313 WeakPolarHBondContact OE1-CD 3.22Å; E270-R313 IonicContact OE1-CZ 2.76Å; E270-R313 IonicContact OE1-NE 3.2Å; E270-R313 PolarHBondContact OE1-NE 3.2Å; E270-R313 IonicContact OE1-NH2 3.79Å; E270-R313 IonicContact OE2-CZ 3.88Å; E270-R313 IonicContact OE2-NE 3.59Å; E270-R313 PolarHBondContact OE2-NE 3.16Å; E270-R313 IonicContact OE2-NH2 3.36Å; E270-R313 PolarHBondContact OE2-NH2 3.24Å
271	P	95.9	Very high	96.2	Very high	15 Å²	15	52.2 Å²	52.2	10%	0.097	28%	0.278	C	S	.	.			trans	-67.5	147.7	-177.6	28.4	-32.7	0	0	0	110.6	F269 P275 W279 L317	F269-P271 HydrophobicContact CE1-CB 4.01Å; F269-P271 HydrophobicContact CE1-CG 4Å; F269-P271 HydrophobicContact CE2-CB 4.5Å; F269-P271 HydrophobicContact CZ-CB 3.76Å; F269-P271 HydrophobicContact CZ-CG 4.28Å; P271-P275 HydrophobicContact CB-CG 3.82Å; P271-P275 HydrophobicContact CG-CG 3.64Å; P271-W279 VanDerWaalsContact CD-CZ2 3.45Å; P271-W279 HydrophobicContact CG-CD2 4.17Å; P271-W279 HydrophobicContact CG-CE3 4.5Å; P271-W279 HydrophobicContact CG-CH2 3.91Å; P271-W279 HydrophobicContact CG-CZ2 3.54Å; P271-W279 HydrophobicContact CG-CZ3 4.36Å; P271-L317 HydrophobicContact CG-CD1 4.5Å; P271-L317 WeakPolarHBondContact O-CD1 3.27Å
272	K	93.5	Very high	96.3	Very high	208 Å²	208	51.5 Å²	51.5	90%	0.904	27%	0.271	S	S	*	.	S	Bend	trans	-79.7	-21.2	179.1	-65.8	-178.8	179.9	175.2	0	113.5
273	T	94.1	Very high	96.2	Very high	107 Å²	107	51.7 Å²	51.7	66%	0.656	27%	0.272	S	S	*	.	S	Bend	trans	-135	156.1	-177.3	54.4	0	0	0	0	109.2	P275	T273-P275 WeakPolarHBondContact O-CD 3.38Å; T273-P275 VanDerWaalsContact O-N 3.17Å
274	L	96.2	Very high	96.2	Very high	75 Å²	75	50.1 Å²	50.1	39%	0.393	27%	0.265	S	S	.	.			trans	-58	115.8	178.7	177.4	60.1	0	0	0	111	L317 P360	L274-L317 VanDerWaalsContact CD1-O 3.25Å; L274-L317 WeakPolarHBondContact CD1-O 3.41Å; L274-P360 HydrophobicContact CD1-CB 3.89Å; L274-P360 HydrophobicContact CD1-CG 3.62Å; L274-P360 HydrophobicContact CD2-CB 3.9Å; L274-P360 HydrophobicContact CD2-CG 4.4Å
275	P	95.6	Very high	96.3	Very high	41 Å²	41	50.1 Å²	50.1	27%	0.266	27%	0.265	S	S	.	.			trans	-70.3	155.2	174.5	-19.7	35.7	0	0	0	111.9	P271 T273 H277 W279 L317	P271-P275 HydrophobicContact CB-CG 3.82Å; P271-P275 HydrophobicContact CG-CG 3.64Å; T273-P275 WeakPolarHBondContact O-CD 3.38Å; T273-P275 VanDerWaalsContact O-N 3.17Å; P275-H277 VanDerWaalsContact C-N 3.35Å; P275-W279 HydrophobicContact CG-CG 4.32Å; P275-L317 WeakPolarHBondContact CD-O 3.5Å
276	S	94.5	Very high	96.3	Very high	139 Å²	139	48.9 Å²	48.9	97%	0.972	26%	0.256	S	S	*	.	S	Bend	trans	-79.2	-17.4	175.6	53	0	0	0	0	113.8
277	H	96.2	Very high	96.4	Very high	66 Å²	66	50.9 Å²	50.9	31%	0.306	26%	0.259	S	S	.	.	S	Bend	trans	-112.7	151.6	-179.5	-163.6	-86.2	0	0	0	110.8	G260 G261 F263 P275 W279	G260-H277 PolarHBondContact O-CE1 3.13Å; G261-H277 PolarHBondContact O-CE1 2.86Å; G261-H277 VanDerWaalsContact O-CE1 3.31Å; F263-H277 AromaticContact CD1-CE1 3.86Å; F263-H277 AromaticContact CD1-ND1 3.64Å; F263-H277 HydrophobicContact CD2-CB 3.87Å; F263-H277 AromaticContact CD2-CG 3.99Å; F263-H277 AromaticContact CD2-ND1 3.93Å; F263-H277 AromaticContact CE1-CE1 3.72Å; F263-H277 AromaticContact CE1-ND1 3.75Å; F263-H277 HydrophobicContact CE2-CB 3.76Å; F263-H277 AromaticContact CE2-CG 3.78Å; F263-H277 AromaticContact CG-ND1 3.73Å; F263-H277 HydrophobicContact CZ-CB 4.32Å; F263-H277 AromaticContact CZ-CG 3.84Å; F263-H277 AromaticContact CZ-ND1 3.96Å; P275-H277 VanDerWaalsContact C-N 3.35Å; H277-W279 PolarHBondContact O-N 3.02Å
278	K	97.9	Very high	96.4	Very high	25 Å²	25	52.2 Å²	52.2	11%	0.109	27%	0.266	C	S	.	.			trans	-61.7	137.9	172.5	-173.6	72.8	-178	176.1	0	109.5	L34 Y38 D39 V262 F263 G318 N320	L34-K278 HydrophobicContact CD2-CB 3.78Å; L34-K278 HydrophobicContact CD2-CD 4.13Å; L34-K278 HydrophobicContact CD2-CG 3.56Å; Y38-K278 HydrophobicContact CE1-CG 4.33Å; D39-K278 WeakPolarHBondContact OD1-CE 3.22Å; D39-K278 IonicContact OD1-NZ 3.85Å; D39-K278 PolarHBondContact OD1-NZ 2.89Å; V262-K278 HydrophobicContact CG1-CG 4.35Å; V262-K278 HydrophobicContact CG2-CG 4.41Å; F263-K278 PolarHBondContact N-O 3.17Å; K278-G318 WeakPolarHBondContact CD-O 3.33Å; K278-G318 WeakPolarHBondContact CE-O 3.5Å; K278-G318 PolarHBondContact NZ-O 3.17Å; K278-N320 WeakPolarHBondContact CE-OD1 3.09Å; K278-N320 PolarHBondContact NZ-OD1 3.42Å
279	W	98.4	Very high	96.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.015	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-136.2	164.9	-179.8	67.9	-81.7	0	0	0	112	V262 F263 F269 P271 P275 H277 N281 T314 L317 G319 N320	V262-W279 VanDerWaalsContact CG1-C 3.48Å; F263-W279 HydrophobicContact CB-CB 4.29Å; F263-W279 CarbonylContact O-C 3.6Å; F263-W279 WeakPolarHBondContact O-CA 3.32Å; F263-W279 WeakPolarHBondContact O-CB 3.35Å; F269-W279 HydrophobicContact CD1-CD2 4.36Å; F269-W279 AromaticContact CD1-CE3 3.66Å; F269-W279 HydrophobicContact CD1-CE3 3.66Å; F269-W279 HydrophobicContact CD1-CZ3 4.04Å; F269-W279 HydrophobicContact CE1-CD2 4.36Å; F269-W279 HydrophobicContact CE1-CE3 4.09Å; F269-W279 WeakPolarHBondContact O-CZ3 3.2Å; P271-W279 VanDerWaalsContact CD-CZ2 3.45Å; P271-W279 HydrophobicContact CG-CD2 4.17Å; P271-W279 HydrophobicContact CG-CE3 4.5Å; P271-W279 HydrophobicContact CG-CH2 3.91Å; P271-W279 HydrophobicContact CG-CZ2 3.54Å; P271-W279 HydrophobicContact CG-CZ3 4.36Å; P275-W279 HydrophobicContact CG-CG 4.32Å; H277-W279 PolarHBondContact O-N 3.02Å; W279-N281 HydrophobicContact CH2-CB 4.26Å; W279-N281 HydrophobicContact CZ3-CB 3.66Å; W279-T314 HydrophobicContact CH2-CG2 3.81Å; W279-T314 HydrophobicContact CZ2-CG2 4.22Å; W279-T314 HydrophobicContact CZ3-CG2 4.26Å; W279-L317 HydrophobicContact CZ2-CB 3.79Å; W279-L317 PolarHBondContact NE1-O 3.01Å; W279-G319 VanDerWaalsContact CE2-CA 3.46Å; W279-G319 CarbonylContact O-C 3.29Å; W279-G319 WeakPolarHBondContact O-CA 3.24Å; W279-N320 PolarHBondContact O-N 3.16Å
280	E	98.6	Very high	96.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.3	178.8	-175.3	177.4	61.4	0	0	110.6	Y38 Y117 W214 V262 F263 C282 N320 L322	Y38-E280 PolarHBondContact OH-OE2 2.98Å; Y117-E280 VanDerWaalsContact CE2-OE2 3.3Å; Y117-E280 WeakPolarHBondContact CE2-OE2 3.28Å; Y117-E280 PolarHBondContact OH-OE2 3.26Å; W214-E280 PolarHBondContact NE1-OE1 3.42Å; V262-E280 HydrophobicContact CG1-CB 3.72Å; F263-E280 PolarHBondContact O-N 3.13Å; E280-C282 PolarHBondContact O-N 2.84Å; E280-C282 PolarHBondContact OE1-SG 3.25Å; E280-N320 CarbonylContact C-O 3.5Å; E280-N320 VanDerWaalsContact CA-O 3.3Å; E280-N320 WeakPolarHBondContact CA-O 3.43Å; E280-N320 HydrophobicContact CG-CB 4.46Å; E280-L322 VanDerWaalsContact CD-CB 3.43Å; E280-L322 HydrophobicContact CG-CB 3.75Å; E280-L322 WeakPolarHBondContact OE1-CD2 3.25Å; E280-L322 VanDerWaalsContact OE2-CB 3.32Å; E280-L322 WeakPolarHBondContact OE2-CB 3.46Å
281	N	98.2	Very high	96.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	104.6	168.7	-171	-8	0	0	0	108.7	R268 F269 W279 I310 T314 N320 L321 L322	R268-N281 WeakPolarHBondContact CA-OD1 2.99Å; F269-N281 VanDerWaalsContact O-CG 3.31Å; F269-N281 PolarHBondContact O-OD1 2.94Å; W279-N281 HydrophobicContact CH2-CB 4.26Å; W279-N281 HydrophobicContact CZ3-CB 3.66Å; N281-I310 WeakPolarHBondContact ND2-CG2 3.38Å; N281-T314 HydrophobicContact CB-CG2 3.84Å; N281-T314 WeakPolarHBondContact CB-OG1 3.32Å; N281-T314 PolarHBondContact ND2-OG1 3.09Å; N281-T314 VanDerWaalsContact ND2-OG1 3.13Å; N281-N320 PolarHBondContact N-O 2.52Å; N281-L321 HydrophobicContact CB-CD1 4.05Å; N281-L322 PolarHBondContact O-N 3.31Å
282	C	97.1	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.9	172.3	-60.4	0	0	0	0	109.1	W214 R268 E280 W290	W214-C282 HydrophobicContact CZ2-CB 4.4Å; W214-C282 VanDerWaalsContact CZ2-SG 3.5Å; R268-C282 WeakPolarHBondContact CA-O 3.14Å; R268-C282 PolarHBondContact N-O 3Å; E280-C282 PolarHBondContact O-N 2.84Å; E280-C282 PolarHBondContact OE1-SG 3.25Å; C282-W290 HydrophobicContact CB-CH2 3.96Å
283	M	97.3	Very high	97	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	174.9	-177.8	65.9	140	-60.4	0	0	112	R268 L307 I310 L321 L322 L323 N324	R268-M283 HydrophobicContact CG-CB 3.97Å; M283-L307 HydrophobicContact CE-CD2 3.76Å; M283-L307 HydrophobicContact SD-CD2 4.42Å; M283-I310 HydrophobicContact CE-CD1 4.14Å; M283-I310 HydrophobicContact SD-CB 4.25Å; M283-I310 HydrophobicContact SD-CD1 3.61Å; M283-I310 HydrophobicContact SD-CG1 4.42Å; M283-I310 HydrophobicContact SD-CG2 3.63Å; M283-L321 HydrophobicContact CG-CD1 3.52Å; M283-L321 HydrophobicContact SD-CD1 3.99Å; M283-L322 PolarHBondContact N-O 2.68Å; M283-L322 VanDerWaalsContact N-O 3.15Å; M283-L323 HydrophobicContact CE-CD1 3.61Å; M283-L323 HydrophobicContact CG-CD1 4.09Å; M283-L323 CarbonylContact O-C 3.48Å; M283-L323 HydrophobicContact SD-CD1 3.96Å; M283-N324 WeakPolarHBondContact O-CB 3.49Å; M283-N324 PolarHBondContact O-N 2.9Å
284	T	98.2	Very high	97.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.6	-166.5	47.6	0	0	0	0	111.9	R268 D286 W290 H302 N324	R268-T284 PolarHBondContact NH2-OG1 3.15Å; T284-D286 VanDerWaalsContact C-N 3.31Å; T284-D286 CarbonylContact C-O 3.59Å; T284-D286 WeakPolarHBondContact CB-O 3.31Å; T284-D286 PolarHBondContact OG1-O 2.97Å; T284-W290 HydrophobicContact CG2-CB 4.33Å; T284-W290 HydrophobicContact CG2-CD2 3.39Å; T284-W290 HydrophobicContact CG2-CE3 3.33Å; T284-W290 HydrophobicContact CG2-CG 3.86Å; T284-W290 HydrophobicContact CG2-CH2 4.25Å; T284-W290 HydrophobicContact CG2-CZ2 4.31Å; T284-W290 HydrophobicContact CG2-CZ3 3.79Å; T284-H302 PolarHBondContact O-CD2 2.73Å; T284-N324 HydrophobicContact CG2-CB 3.77Å
285	I	98.5	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-64.2	-39.8	172.7	-65.8	-177.4	0	0	0	110.8	Y301 H302 L307 L323 N324 V325 F337 R340 L341	I285-Y301 HydrophobicContact CG2-CD1 4.15Å; I285-Y301 CarbonylContact O-C 3.51Å; I285-Y301 WeakPolarHBondContact O-CA 3.47Å; I285-H302 PolarHBondContact O-N 2.77Å; I285-L307 HydrophobicContact CD1-CD1 4.42Å; I285-L307 HydrophobicContact CG1-CD1 4.12Å; I285-L307 HydrophobicContact CG2-CD1 4.5Å; I285-L323 HydrophobicContact CD1-CD2 3.92Å; I285-L323 HydrophobicContact CD1-CG 4.25Å; I285-L323 HydrophobicContact CG1-CD1 3.76Å; I285-L323 HydrophobicContact CG1-CD2 3.81Å; I285-L323 HydrophobicContact CG1-CG 3.79Å; I285-N324 PolarHBondContact N-O 2.76Å; I285-V325 HydrophobicContact CD1-CG1 3.87Å; I285-F337 HydrophobicContact CB-CD1 3.8Å; I285-F337 HydrophobicContact CB-CE1 3.84Å; I285-F337 HydrophobicContact CD1-CD1 4.12Å; I285-F337 HydrophobicContact CG1-CD1 4.43Å; I285-F337 HydrophobicContact CG2-CD1 3.92Å; I285-F337 HydrophobicContact CG2-CE1 4.13Å; I285-R340 HydrophobicContact CD1-CB 3.82Å; I285-R340 HydrophobicContact CG2-CB 4.25Å; I285-R340 HydrophobicContact CG2-CG 3.97Å; I285-L341 HydrophobicContact CD1-CD2 4.25Å; I285-L341 HydrophobicContact CD1-CG 4.45Å
286	D	98	Very high	97.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-72.8	126.1	164.9	-176.8	-39.3	0	0	0	108.6	T284 D288 S289 R293 D300 Y301	T284-D286 VanDerWaalsContact C-N 3.31Å; T284-D286 CarbonylContact C-O 3.59Å; T284-D286 WeakPolarHBondContact CB-O 3.31Å; T284-D286 PolarHBondContact OG1-O 2.97Å; D286-D288 PolarHBondContact O-N 3.47Å; D286-D288 VanDerWaalsContact O-N 3.16Å; D286-D288 PolarHBondContact OD1-N 3.34Å; D286-S289 PolarHBondContact OD1-N 2.61Å; D286-R293 IonicContact OD1-CZ 2.7Å; D286-R293 IonicContact OD1-NE 3.74Å; D286-R293 IonicContact OD1-NH2 3.64Å; D286-R293 PolarHBondContact OD1-NH2 2.6Å; D286-R293 VanDerWaalsContact OD1-NH2 3.15Å; D286-R293 IonicContact OD2-CZ 3.57Å; D286-R293 IonicContact OD2-NE 3.48Å; D286-R293 PolarHBondContact OD2-NE 2.87Å; D286-R293 IonicContact OD2-NH2 2.68Å; D286-D300 CarbonylContact C-O 3.58Å; D286-Y301 HydrophobicContact CB-CD1 3.97Å; D286-Y301 HydrophobicContact CB-CE1 3.83Å
287	R	96.7	Very high	97.2	Very high	58 Å²	58	32.6 Å²	32.6	22%	0.219	16%	0.155	C	C	.	.	S	Bend	trans	-63.8	-20.2	-174.9	-70.3	173.8	-158.5	-59.2	8.6	113.9	R268 Q299 D300 Y301 H302 E306	R268-R287 PolarHBondContact NH1-O 2.81Å; R268-R287 PolarHBondContact NH2-O 3.28Å; R287-Q299 PolarHBondContact NE-O 3.31Å; R287-D300 WeakPolarHBondContact CB-O 3.16Å; R287-D300 VanDerWaalsContact CG-O 3.22Å; R287-D300 WeakPolarHBondContact CG-O 3.08Å; R287-D300 PolarHBondContact N-O 3.48Å; R287-Y301 VanDerWaalsContact CZ-O 3.32Å; R287-Y301 PolarHBondContact NH2-O 2.86Å; R287-H302 VanDerWaalsContact NH1-CA 3.31Å; R287-H302 PolarHBondContact NH1-CD2 2.81Å; R287-H302 PolarHBondContact NH1-CE1 3.44Å; R287-H302 PolarHBondContact NH1-ND1 3.36Å; R287-E306 IonicContact CZ-OE2 2.72Å; R287-E306 VanDerWaalsContact CZ-OE2 3.24Å; R287-E306 IonicContact NH1-OE1 3.81Å; R287-E306 IonicContact NH1-OE2 3.8Å; R287-E306 PolarHBondContact NH1-OE2 3.14Å; R287-E306 IonicContact NH2-OE1 3.7Å; R287-E306 IonicContact NH2-OE2 2.67Å; R287-E306 PolarHBondContact NH2-OE2 3.32Å
288	D	93.7	Very high	97.2	Very high	109 Å²	109	35.2 Å²	35.2	58%	0.583	17%	0.17	S	C	*	.	S	Bend	trans	-120.3	-39.3	-170.5	-64.2	-39	0	0	0	111.6	R268 D286 R293	R268-D288 PolarHBondContact NH2-O 2.76Å; D286-D288 PolarHBondContact O-N 3.47Å; D286-D288 VanDerWaalsContact O-N 3.16Å; D286-D288 PolarHBondContact OD1-N 3.34Å; D288-R293 IonicContact OD2-NH2 3.5Å
289	S	96.7	Very high	97.2	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.042	20%	0.203	C	C	.	.			trans	-108	139.9	-171.6	-172.4	0	0	0	0	113.9	D286 G291	D286-S289 PolarHBondContact OD1-N 2.61Å; S289-G291 WeakPolarHBondContact CB-O 3.42Å; S289-G291 PolarHBondContact OG-N 2.8Å; S289-G291 PolarHBondContact OG-O 3.43Å
290	W	98.1	Very high	97.2	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.098	21%	0.211	C	C	.	.	S	Bend	trans	-77.5	-31.5	163.3	-65.7	93.8	0	0	0	111.9	F46 H48 V61 D267 C282 T284 N324 A326	F46-W290 AromaticContact CD1-CZ3 3.9Å; F46-W290 HydrophobicContact CD1-CZ3 3.9Å; F46-W290 HydrophobicContact CE1-CZ3 4.18Å; H48-W290 HydrophobicContact CB-CB 4.26Å; H48-W290 WeakPolarHBondContact CB-O 3.25Å; H48-W290 AromaticContact CE1-CE3 3.43Å; H48-W290 VanDerWaalsContact CE1-CE3 3.43Å; H48-W290 AromaticContact CE1-CZ3 3.97Å; H48-W290 AromaticContact ND1-CE3 3.66Å; V61-W290 HydrophobicContact CG1-CB 3.8Å; V61-W290 HydrophobicContact CG2-CB 4.07Å; D267-W290 HydrophobicContact CB-CZ2 4.12Å; C282-W290 HydrophobicContact CB-CH2 3.96Å; T284-W290 HydrophobicContact CG2-CB 4.33Å; T284-W290 HydrophobicContact CG2-CD2 3.39Å; T284-W290 HydrophobicContact CG2-CE3 3.33Å; T284-W290 HydrophobicContact CG2-CG 3.86Å; T284-W290 HydrophobicContact CG2-CH2 4.25Å; T284-W290 HydrophobicContact CG2-CZ2 4.31Å; T284-W290 HydrophobicContact CG2-CZ3 3.79Å; W290-N324 HydrophobicContact CE3-CB 3.73Å; W290-N324 HydrophobicContact CZ3-CB 3.81Å; W290-N324 PolarHBondContact O-ND2 2.83Å; W290-A326 VanDerWaalsContact O-CB 3.27Å; W290-A326 WeakPolarHBondContact O-CB 3.36Å
291	G	97.7	Very high	97.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	21%	0.213	C	C	.	.	S	Bend	trans	-102	157.8	-173.9	0	0	0	0	0	111.9	V61 S289 R293 A326	V61-G291 VanDerWaalsContact CG1-CA 3.5Å; S289-G291 WeakPolarHBondContact CB-O 3.42Å; S289-G291 PolarHBondContact OG-N 2.8Å; S289-G291 PolarHBondContact OG-O 3.43Å; G291-R293 PolarHBondContact O-N 3.13Å; G291-A326 VanDerWaalsContact C-CB 3.42Å
292	Y	98	Very high	97.2	Very high	38 Å²	38	45.4 Å²	45.4	15%	0.149	22%	0.219	C	C	.	.			trans	-64.6	133.2	179.6	173.9	-102.1	0	0	0	109.7	S56 R294 P327 T328 T334 F337	S56-Y292 WeakPolarHBondContact CA-O 3.26Å; S56-Y292 VanDerWaalsContact OG-CD1 3.32Å; S56-Y292 WeakPolarHBondContact OG-CD1 3.35Å; Y292-R294 HydrophobicContact CE1-CB 4.19Å; Y292-P327 VanDerWaalsContact CB-O 3.32Å; Y292-P327 WeakPolarHBondContact CB-O 3.3Å; Y292-T328 HydrophobicContact CD1-CG2 3.99Å; Y292-T328 HydrophobicContact CD2-CG2 4.1Å; Y292-T328 HydrophobicContact CE1-CG2 3.83Å; Y292-T328 HydrophobicContact CE2-CG2 3.97Å; Y292-T328 HydrophobicContact CG-CG2 4.12Å; Y292-T334 HydrophobicContact CD2-CG2 4.12Å; Y292-T334 HydrophobicContact CE2-CG2 3.63Å; Y292-F337 HydrophobicContact CD2-CE2 4.33Å
293	R	97.1	Very high	97.2	Very high	17 Å²	17	47.9 Å²	47.9	6%	0.064	23%	0.234	C	C	.	.			trans	-133.1	133.1	174.3	74.3	-179.1	169.7	109.4	-12.4	110.2	S56 D286 D288 G291 D295 A296 D300	S56-R293 CarbonylContact O-C 3.1Å; S56-R293 WeakPolarHBondContact O-CA 3.49Å; D286-R293 IonicContact OD1-CZ 2.7Å; D286-R293 IonicContact OD1-NE 3.74Å; D286-R293 IonicContact OD1-NH2 3.64Å; D286-R293 PolarHBondContact OD1-NH2 2.6Å; D286-R293 VanDerWaalsContact OD1-NH2 3.15Å; D286-R293 IonicContact OD2-CZ 3.57Å; D286-R293 IonicContact OD2-NE 3.48Å; D286-R293 PolarHBondContact OD2-NE 2.87Å; D286-R293 IonicContact OD2-NH2 2.68Å; D288-R293 IonicContact OD2-NH2 3.5Å; G291-R293 PolarHBondContact O-N 3.13Å; R293-D295 VanDerWaalsContact C-N 3.34Å; R293-D295 VanDerWaalsContact CB-OD1 3.3Å; R293-D295 WeakPolarHBondContact CB-OD1 3.27Å; R293-D295 IonicContact NH1-OD2 3.04Å; R293-A296 HydrophobicContact CG-CB 3.74Å; R293-D300 IonicContact CZ-OD1 3.65Å; R293-D300 IonicContact NH1-OD1 3.98Å; R293-D300 PolarHBondContact NH1-OD1 2.94Å; R293-D300 IonicContact NH2-OD1 2.8Å; R293-D300 PolarHBondContact NH2-OD1 3.11Å; R293-D300 IonicContact NH2-OD2 3.53Å
294	R	95.7	Very high	97.2	Very high	163 Å²	163	48 Å²	48	62%	0.615	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.4	-174.5	77.8	-171	-145	165	6.1	112.9	S56 Y292 A296	S56-R294 WeakPolarHBondContact O-CG 3.48Å; S56-R294 PolarHBondContact O-N 2.96Å; Y292-R294 HydrophobicContact CE1-CB 4.19Å; R294-A296 VanDerWaalsContact C-N 3.34Å
295	D	95.9	Very high	97.2	Very high	57 Å²	57	52.6 Å²	52.6	31%	0.305	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.1	175.1	62.4	-56.6	0	0	0	113	Y57 H58 R293	Y57-D295 HydrophobicContact CD2-CB 4.29Å; Y57-D295 HydrophobicContact CE2-CB 4.27Å; H58-D295 PolarHBondContact N-OD1 3.1Å; H58-D295 VanDerWaalsContact N-OD1 3.12Å; R293-D295 VanDerWaalsContact C-N 3.34Å; R293-D295 VanDerWaalsContact CB-OD1 3.3Å; R293-D295 WeakPolarHBondContact CB-OD1 3.27Å; R293-D295 IonicContact NH1-OD2 3.04Å
296	A	96.9	Very high	97.2	Very high	22 Å²	22	56.1 Å²	56.1	18%	0.182	27%	0.273	C	S	.	.			trans	-66.5	140.9	173.5	0	0	0	0	0	112.3	R293 R294 D300 Y301	R293-A296 HydrophobicContact CG-CB 3.74Å; R294-A296 VanDerWaalsContact C-N 3.34Å; A296-D300 HydrophobicContact CB-CB 4.27Å; A296-Y301 HydrophobicContact CB-CE2 3.95Å; A296-Y301 VanDerWaalsContact CB-OH 3.28Å; A296-Y301 WeakPolarHBondContact CB-OH 3.45Å
297	T	96.9	Very high	97.2	Very high	79 Å²	79	56.1 Å²	56.1	49%	0.485	27%	0.272	S	S	.	.			trans	-110.2	173.4	173.3	73.7	0	0	0	0	110.3	Q299 D300 Y301	T297-Q299 PolarHBondContact O-N 2.87Å; T297-D300 WeakPolarHBondContact CA-OD2 3.41Å; T297-D300 WeakPolarHBondContact CB-OD2 3.1Å; T297-D300 PolarHBondContact N-OD2 3.4Å; T297-D300 VanDerWaalsContact O-CB 3.3Å; T297-D300 WeakPolarHBondContact O-CB 2.97Å; T297-D300 PolarHBondContact O-N 3.39Å; T297-D300 VanDerWaalsContact O-N 3.14Å; T297-D300 PolarHBondContact OG1-OD2 2.91Å; T297-Y301 WeakPolarHBondContact O-CD2 3.23Å; T297-Y301 WeakPolarHBondContact O-CE2 3.4Å
298	L	96.5	Very high	97.3	Very high	120 Å²	120	53.4 Å²	53.4	63%	0.628	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30.9	-179.8	-176	59.9	0	0	0	113.6	D300 Y301 I336	L298-D300 PolarHBondContact O-N 2.99Å; L298-Y301 PolarHBondContact O-N 3.41Å; L298-I336 HydrophobicContact CD1-CD1 3.93Å
299	Q	97.2	Very high	97.5	Very high	171 Å²	171	48.3 Å²	48.3	80%	0.799	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-70.4	-25.3	-178.5	-64.8	179.1	30.7	0	0	112.5	R287 T297 Y301	R287-Q299 PolarHBondContact NE-O 3.31Å; T297-Q299 PolarHBondContact O-N 2.87Å; Q299-Y301 PolarHBondContact O-N 3.03Å
300	D	97.5	Very high	97.6	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.171	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-70.4	-15	177.2	-65	-79.7	0	0	0	113.1	D286 R287 R293 A296 T297 L298	D286-D300 CarbonylContact C-O 3.58Å; R287-D300 WeakPolarHBondContact CB-O 3.16Å; R287-D300 VanDerWaalsContact CG-O 3.22Å; R287-D300 WeakPolarHBondContact CG-O 3.08Å; R287-D300 PolarHBondContact N-O 3.48Å; R293-D300 IonicContact CZ-OD1 3.65Å; R293-D300 IonicContact NH1-OD1 3.98Å; R293-D300 PolarHBondContact NH1-OD1 2.94Å; R293-D300 IonicContact NH2-OD1 2.8Å; R293-D300 PolarHBondContact NH2-OD1 3.11Å; R293-D300 IonicContact NH2-OD2 3.53Å; A296-D300 HydrophobicContact CB-CB 4.27Å; T297-D300 WeakPolarHBondContact CA-OD2 3.41Å; T297-D300 WeakPolarHBondContact CB-OD2 3.1Å; T297-D300 PolarHBondContact N-OD2 3.4Å; T297-D300 VanDerWaalsContact O-CB 3.3Å; T297-D300 WeakPolarHBondContact O-CB 2.97Å; T297-D300 PolarHBondContact O-N 3.39Å; T297-D300 VanDerWaalsContact O-N 3.14Å; T297-D300 PolarHBondContact OG1-OD2 2.91Å; L298-D300 PolarHBondContact O-N 2.99Å
301	Y	98.2	Very high	97.6	Very high	16 Å²	16	47.6 Å²	47.6	6%	0.063	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-101.1	140	179.7	-59.7	-73.4	0	0	0	111.3	I285 D286 R287 A296 T297 L298 Q299 T303 I336 F337	I285-Y301 HydrophobicContact CG2-CD1 4.15Å; I285-Y301 CarbonylContact O-C 3.51Å; I285-Y301 WeakPolarHBondContact O-CA 3.47Å; D286-Y301 HydrophobicContact CB-CD1 3.97Å; D286-Y301 HydrophobicContact CB-CE1 3.83Å; R287-Y301 VanDerWaalsContact CZ-O 3.32Å; R287-Y301 PolarHBondContact NH2-O 2.86Å; A296-Y301 HydrophobicContact CB-CE2 3.95Å; A296-Y301 VanDerWaalsContact CB-OH 3.28Å; A296-Y301 WeakPolarHBondContact CB-OH 3.45Å; T297-Y301 WeakPolarHBondContact O-CD2 3.23Å; T297-Y301 WeakPolarHBondContact O-CE2 3.4Å; L298-Y301 PolarHBondContact O-N 3.41Å; Q299-Y301 PolarHBondContact O-N 3.03Å; Y301-T303 PolarHBondContact O-N 2.06Å; Y301-I336 HydrophobicContact CD1-CG1 4.41Å; Y301-I336 HydrophobicContact CD2-CG1 3.81Å; Y301-I336 HydrophobicContact CE1-CG2 4.32Å; Y301-I336 HydrophobicContact CE2-CG1 4.19Å; Y301-I336 HydrophobicContact CE2-CG2 4.07Å; Y301-I336 HydrophobicContact CG-CG1 3.91Å; Y301-F337 HydrophobicContact CD1-CE1 4.47Å; Y301-F337 HydrophobicContact CE1-CE1 4.12Å; Y301-F337 HydrophobicContact CE1-CE2 4.31Å; Y301-F337 AromaticContact CE1-CZ 3.79Å; Y301-F337 HydrophobicContact CE1-CZ 3.79Å
302	H	98.4	Very high	97.7	Very high	30 Å²	30	47.5 Å²	47.5	14%	0.139	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-55.1	137.9	168.6	-78.2	-88.7	0	0	0	111.7	T284 I285 R287 E306 L307 R340	T284-H302 PolarHBondContact O-CD2 2.73Å; I285-H302 PolarHBondContact O-N 2.77Å; R287-H302 VanDerWaalsContact NH1-CA 3.31Å; R287-H302 PolarHBondContact NH1-CD2 2.81Å; R287-H302 PolarHBondContact NH1-CE1 3.44Å; R287-H302 PolarHBondContact NH1-ND1 3.36Å; H302-E306 VanDerWaalsContact CA-OE2 3.29Å; H302-E306 WeakPolarHBondContact CA-OE2 3.31Å; H302-E306 HydrophobicContact CB-CB 4.45Å; H302-E306 IonicContact CG-OE2 3.75Å; H302-E306 IonicContact ND1-OE2 3.98Å; H302-E306 PolarHBondContact ND1-OE2 3.49Å; H302-L307 HydrophobicContact CB-CD1 4.29Å; H302-L307 HydrophobicContact CB-CD2 3.56Å; H302-L307 HydrophobicContact CB-CG 3.68Å; H302-R340 WeakPolarHBondContact O-CD 3.4Å; H302-R340 PolarHBondContact O-NE 3.11Å
303	T	98.1	Very high	97.7	Very high	52 Å²	52	48.3 Å²	48.3	32%	0.319	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-72.7	163.5	169	84.8	0	0	0	0	109.4	Y301 E305 E306 L307	Y301-T303 PolarHBondContact O-N 2.06Å; T303-E305 VanDerWaalsContact C-N 3.32Å; T303-E305 WeakPolarHBondContact CB-OE2 3.45Å; T303-E305 PolarHBondContact O-N 2.76Å; T303-E305 PolarHBondContact OG1-N 2.85Å; T303-E305 PolarHBondContact OG1-OE2 3.27Å; T303-E306 PolarHBondContact N-OE2 2.83Å; T303-E306 PolarHBondContact O-N 3.02Å; T303-E306 PolarHBondContact OG1-N 3.07Å; T303-L307 WeakPolarHBondContact O-CG 3.21Å; T303-L307 PolarHBondContact O-N 2.89Å
304	I	98	Very high	97.8	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-36.8	178.3	179.9	61.4	0	0	0	112.5	E306 L307 I308 Q343 I344 W455	I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 2.93Å; I304-L307 PolarHBondContact O-N 2.99Å; I304-I308 HydrophobicContact CD1-CD1 3.82Å; I304-I308 HydrophobicContact CD1-CG1 3.97Å; I304-I308 HydrophobicContact CG1-CD1 3.78Å; I304-I308 HydrophobicContact CG1-CG1 4.35Å; I304-I308 WeakPolarHBondContact O-CB 3.43Å; I304-I308 WeakPolarHBondContact O-CG1 3.48Å; I304-I308 PolarHBondContact O-N 3.48Å; I304-Q343 HydrophobicContact CB-CB 4.44Å; I304-Q343 HydrophobicContact CD1-CB 3.47Å; I304-Q343 VanDerWaalsContact CD1-CB 3.47Å; I304-Q343 HydrophobicContact CG1-CB 3.71Å; I304-I344 HydrophobicContact CD1-CG1 3.63Å; I304-W455 HydrophobicContact CG1-CD2 3.7Å; I304-W455 HydrophobicContact CG1-CE3 3.96Å; I304-W455 HydrophobicContact CG1-CG 4.1Å; I304-W455 HydrophobicContact CG1-CH2 4.4Å; I304-W455 HydrophobicContact CG1-CZ2 4.16Å; I304-W455 HydrophobicContact CG1-CZ3 4.32Å; I304-W455 HydrophobicContact CG2-CD2 4.12Å; I304-W455 HydrophobicContact CG2-CG 4.05Å; I304-W455 HydrophobicContact CG2-CZ2 4.27Å
305	E	97.8	Very high	97.9	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-41.1	175.3	-60.2	79.2	-175.9	0	0	111.1	T303 G309 W455	T303-E305 VanDerWaalsContact C-N 3.32Å; T303-E305 WeakPolarHBondContact CB-OE2 3.45Å; T303-E305 PolarHBondContact O-N 2.76Å; T303-E305 PolarHBondContact OG1-N 2.85Å; T303-E305 PolarHBondContact OG1-OE2 3.27Å; E305-G309 PolarHBondContact O-N 2.68Å; E305-W455 HydrophobicContact CG-CB 4.36Å; E305-W455 VanDerWaalsContact OE1-CD1 3.29Å
306	E	98.1	Very high	98	Very high	74 Å²	74	37 Å²	37	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-65.1	-46.2	175.7	-67.7	175	153.1	0	0	111.7	R287 H302 T303 I304 G309 I310	R287-E306 IonicContact CZ-OE2 2.72Å; R287-E306 VanDerWaalsContact CZ-OE2 3.24Å; R287-E306 IonicContact NH1-OE1 3.81Å; R287-E306 IonicContact NH1-OE2 3.8Å; R287-E306 PolarHBondContact NH1-OE2 3.14Å; R287-E306 IonicContact NH2-OE1 3.7Å; R287-E306 IonicContact NH2-OE2 2.67Å; R287-E306 PolarHBondContact NH2-OE2 3.32Å; H302-E306 VanDerWaalsContact CA-OE2 3.29Å; H302-E306 WeakPolarHBondContact CA-OE2 3.31Å; H302-E306 HydrophobicContact CB-CB 4.45Å; H302-E306 IonicContact CG-OE2 3.75Å; H302-E306 IonicContact ND1-OE2 3.98Å; H302-E306 PolarHBondContact ND1-OE2 3.49Å; T303-E306 PolarHBondContact N-OE2 2.83Å; T303-E306 PolarHBondContact O-N 3.02Å; T303-E306 PolarHBondContact OG1-N 3.07Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 2.93Å; E306-G309 CarbonylContact O-C 3.56Å; E306-G309 PolarHBondContact O-N 2.71Å; E306-I310 VanDerWaalsContact O-CG1 3.26Å; E306-I310 WeakPolarHBondContact O-CG1 3.4Å; E306-I310 PolarHBondContact O-N 3.44Å
307	L	98.6	Very high	98.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-44.7	-179.9	-68.5	176.2	0	0	0	112.2	M283 I285 H302 T303 I304 G309 I310 L311 L323 R340 I344	M283-L307 HydrophobicContact CE-CD2 3.76Å; M283-L307 HydrophobicContact SD-CD2 4.42Å; I285-L307 HydrophobicContact CD1-CD1 4.42Å; I285-L307 HydrophobicContact CG1-CD1 4.12Å; I285-L307 HydrophobicContact CG2-CD1 4.5Å; H302-L307 HydrophobicContact CB-CD1 4.29Å; H302-L307 HydrophobicContact CB-CD2 3.56Å; H302-L307 HydrophobicContact CB-CG 3.68Å; T303-L307 WeakPolarHBondContact O-CG 3.21Å; T303-L307 PolarHBondContact O-N 2.89Å; I304-L307 PolarHBondContact O-N 2.99Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-I310 PolarHBondContact O-N 2.8Å; L307-L311 PolarHBondContact O-N 3.25Å; L307-L323 HydrophobicContact CD1-CD2 4.48Å; L307-L323 HydrophobicContact CD2-CD1 3.87Å; L307-L323 HydrophobicContact CD2-CD2 4.35Å; L307-R340 HydrophobicContact CD1-CB 3.94Å; L307-R340 HydrophobicContact CD1-CG 4.17Å; L307-I344 HydrophobicContact CB-CD1 4.09Å; L307-I344 HydrophobicContact CB-CG1 4.45Å; L307-I344 HydrophobicContact CD1-CD1 4.07Å
308	I	98.6	Very high	98.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.4	-70.9	169.7	0	0	0	110	I304 I310 L311 V312 W347 W455 A456	I304-I308 HydrophobicContact CD1-CD1 3.82Å; I304-I308 HydrophobicContact CD1-CG1 3.97Å; I304-I308 HydrophobicContact CG1-CD1 3.78Å; I304-I308 HydrophobicContact CG1-CG1 4.35Å; I304-I308 WeakPolarHBondContact O-CB 3.43Å; I304-I308 WeakPolarHBondContact O-CG1 3.48Å; I304-I308 PolarHBondContact O-N 3.48Å; I308-I310 VanDerWaalsContact C-N 3.34Å; I308-I310 PolarHBondContact O-N 3.35Å; I308-L311 PolarHBondContact O-N 3.44Å; I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.37Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.3Å; I308-V312 PolarHBondContact O-N 3.44Å; I308-W347 HydrophobicContact CD1-CB 3.8Å; I308-W347 HydrophobicContact CD1-CD2 4.21Å; I308-W347 HydrophobicContact CD1-CG 3.73Å; I308-W347 HydrophobicContact CG1-CD2 4.4Å; I308-W347 HydrophobicContact CG1-CG 4.4Å; I308-W347 HydrophobicContact CG2-CD2 4Å; I308-W347 HydrophobicContact CG2-CE3 4.25Å; I308-W347 HydrophobicContact CG2-CH2 4.35Å; I308-W347 HydrophobicContact CG2-CZ2 4.08Å; I308-W347 HydrophobicContact CG2-CZ3 4.41Å; I308-W455 HydrophobicContact CD1-CB 3.71Å; I308-W455 HydrophobicContact CD1-CD2 4.02Å; I308-W455 HydrophobicContact CD1-CE3 3.58Å; I308-W455 HydrophobicContact CD1-CG 4.12Å; I308-W455 HydrophobicContact CD1-CZ3 4.5Å; I308-A456 HydrophobicContact CG2-CB 3.8Å
309	G	98.3	Very high	98.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-46.7	174	0	0	0	0	0	112.3	E305 E306 L307 V312 R313	E305-G309 PolarHBondContact O-N 2.68Å; E306-G309 CarbonylContact O-C 3.56Å; E306-G309 PolarHBondContact O-N 2.71Å; L307-G309 VanDerWaalsContact C-N 3.32Å; G309-V312 PolarHBondContact O-N 3.46Å; G309-R313 VanDerWaalsContact O-CG 3.28Å; G309-R313 WeakPolarHBondContact O-CG 3.47Å; G309-R313 PolarHBondContact O-N 2.85Å; G309-R313 PolarHBondContact O-NH1 3.14Å
310	I	98.3	Very high	98.3	Very high	15 Å²	15	19.1 Å²	19.1	8%	0.077	10%	0.095	C	C	.	.	H	α-helix	trans	-62.6	-47.7	177.7	-67.5	159.2	0	0	0	110.5	N281 M283 E306 L307 I308 V312 R313 T314 L321	N281-I310 WeakPolarHBondContact ND2-CG2 3.38Å; M283-I310 HydrophobicContact CE-CD1 4.14Å; M283-I310 HydrophobicContact SD-CB 4.25Å; M283-I310 HydrophobicContact SD-CD1 3.61Å; M283-I310 HydrophobicContact SD-CG1 4.42Å; M283-I310 HydrophobicContact SD-CG2 3.63Å; E306-I310 VanDerWaalsContact O-CG1 3.26Å; E306-I310 WeakPolarHBondContact O-CG1 3.4Å; E306-I310 PolarHBondContact O-N 3.44Å; L307-I310 PolarHBondContact O-N 2.8Å; I308-I310 VanDerWaalsContact C-N 3.34Å; I308-I310 PolarHBondContact O-N 3.35Å; I310-V312 VanDerWaalsContact C-N 3.33Å; I310-V312 PolarHBondContact O-N 2.79Å; I310-R313 VanDerWaalsContact CG1-NH2 3.27Å; I310-R313 PolarHBondContact O-N 2.91Å; I310-T314 WeakPolarHBondContact O-CB 3.32Å; I310-T314 PolarHBondContact O-N 3.18Å; I310-T314 PolarHBondContact O-OG1 3.42Å; I310-T314 VanDerWaalsContact O-OG1 3.13Å; I310-L321 HydrophobicContact CG2-CD1 3.99Å; I310-L321 HydrophobicContact CG2-CD2 4.5Å
311	L	98.8	Very high	98.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-54.7	-48.6	176.6	175.4	59.8	0	0	0	111.8	F43 L307 I308 T314 V315 L321 I344 W347 L348	F43-L311 HydrophobicContact CB-CD1 4.15Å; F43-L311 HydrophobicContact CD2-CD1 4.15Å; F43-L311 HydrophobicContact CG-CD1 4.39Å; L307-L311 PolarHBondContact O-N 3.25Å; I308-L311 PolarHBondContact O-N 3.44Å; L311-T314 PolarHBondContact O-N 3.07Å; L311-V315 HydrophobicContact CD1-CG2 3.91Å; L311-V315 WeakPolarHBondContact O-CB 3.32Å; L311-V315 VanDerWaalsContact O-CG2 3.29Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 2.58Å; L311-L321 HydrophobicContact CB-CD2 3.74Å; L311-L321 HydrophobicContact CD1-CB 3.88Å; L311-L321 HydrophobicContact CD1-CD2 4.01Å; L311-L321 HydrophobicContact CG-CD2 4.43Å; L311-I344 HydrophobicContact CD2-CG2 4.42Å; L311-W347 HydrophobicContact CD2-CZ3 4.12Å; L311-L348 HydrophobicContact CD2-CD1 4.09Å; L311-L348 HydrophobicContact CD2-CD2 4.03Å; L311-L348 HydrophobicContact CD2-CG 4.29Å
312	V	98.6	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-48	179.9	168.1	0	0	0	0	111.1	I308 G309 I310 T314 V315 S316 W347 W373 I397 L399	I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.37Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.3Å; I308-V312 PolarHBondContact O-N 3.44Å; G309-V312 PolarHBondContact O-N 3.46Å; I310-V312 VanDerWaalsContact C-N 3.33Å; I310-V312 PolarHBondContact O-N 2.79Å; V312-T314 PolarHBondContact O-N 3.37Å; V312-V315 PolarHBondContact O-N 2.76Å; V312-S316 VanDerWaalsContact O-CB 3.28Å; V312-S316 WeakPolarHBondContact O-CB 3.35Å; V312-S316 PolarHBondContact O-N 2.78Å; V312-S316 PolarHBondContact O-OG 3.15Å; V312-W347 HydrophobicContact CG2-CH2 3.76Å; V312-W347 HydrophobicContact CG2-CZ2 4.23Å; V312-W373 HydrophobicContact CG1-CB 3.58Å; V312-W373 HydrophobicContact CG1-CG 4.05Å; V312-I397 HydrophobicContact CB-CG2 4.4Å; V312-I397 HydrophobicContact CG1-CB 3.96Å; V312-I397 HydrophobicContact CG1-CD1 3.94Å; V312-I397 HydrophobicContact CG1-CG2 3.79Å; V312-I397 HydrophobicContact CG2-CD1 4.33Å; V312-I397 HydrophobicContact CG2-CG2 3.66Å; V312-L399 HydrophobicContact CB-CD2 4.05Å; V312-L399 HydrophobicContact CG1-CD2 4.12Å; V312-L399 HydrophobicContact CG2-CD2 4.03Å
313	R	98.3	Very high	98.4	Very high	55 Å²	55	15.5 Å²	15.5	21%	0.208	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-46.4	178.5	-67.9	-165.7	-53.3	-82	0.8	111.9	E270 G309 I310 V315 S316 L317 W373	E270-R313 VanDerWaalsContact CD-NE 3.33Å; E270-R313 VanDerWaalsContact OE1-CD 3.3Å; E270-R313 WeakPolarHBondContact OE1-CD 3.22Å; E270-R313 IonicContact OE1-CZ 2.76Å; E270-R313 IonicContact OE1-NE 3.2Å; E270-R313 PolarHBondContact OE1-NE 3.2Å; E270-R313 IonicContact OE1-NH2 3.79Å; E270-R313 IonicContact OE2-CZ 3.88Å; E270-R313 IonicContact OE2-NE 3.59Å; E270-R313 PolarHBondContact OE2-NE 3.16Å; E270-R313 IonicContact OE2-NH2 3.36Å; E270-R313 PolarHBondContact OE2-NH2 3.24Å; G309-R313 VanDerWaalsContact O-CG 3.28Å; G309-R313 WeakPolarHBondContact O-CG 3.47Å; G309-R313 PolarHBondContact O-N 2.85Å; G309-R313 PolarHBondContact O-NH1 3.14Å; I310-R313 VanDerWaalsContact CG1-NH2 3.27Å; I310-R313 PolarHBondContact O-N 2.91Å; R313-V315 PolarHBondContact O-N 3.15Å; R313-S316 PolarHBondContact O-N 2.76Å; R313-L317 WeakPolarHBondContact O-CB 3.34Å; R313-L317 PolarHBondContact O-N 3.45Å; R313-W373 HydrophobicContact CB-CE3 4.49Å; R313-W373 HydrophobicContact CB-CH2 4.19Å; R313-W373 HydrophobicContact CB-CZ2 4.33Å; R313-W373 HydrophobicContact CB-CZ3 4.29Å; R313-W373 HydrophobicContact CG-CD2 3.87Å; R313-W373 VanDerWaalsContact CG-CE2 3.46Å; R313-W373 HydrophobicContact CG-CE3 4.22Å; R313-W373 HydrophobicContact CG-CH2 3.79Å; R313-W373 HydrophobicContact CG-CZ2 3.44Å; R313-W373 VanDerWaalsContact CG-CZ2 3.44Å; R313-W373 HydrophobicContact CG-CZ3 4.17Å
314	T	98.6	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.7	-49.5	177.9	-69.2	0	0	0	0	111.3	W279 N281 I310 L311 V312 L317 G318 G319 N320 L321	W279-T314 HydrophobicContact CH2-CG2 3.81Å; W279-T314 HydrophobicContact CZ2-CG2 4.22Å; W279-T314 HydrophobicContact CZ3-CG2 4.26Å; N281-T314 HydrophobicContact CB-CG2 3.84Å; N281-T314 WeakPolarHBondContact CB-OG1 3.32Å; N281-T314 PolarHBondContact ND2-OG1 3.09Å; N281-T314 VanDerWaalsContact ND2-OG1 3.13Å; I310-T314 WeakPolarHBondContact O-CB 3.32Å; I310-T314 PolarHBondContact O-N 3.18Å; I310-T314 PolarHBondContact O-OG1 3.42Å; I310-T314 VanDerWaalsContact O-OG1 3.13Å; L311-T314 PolarHBondContact O-N 3.07Å; V312-T314 PolarHBondContact O-N 3.37Å; T314-L317 CarbonylContact O-C 3.52Å; T314-L317 PolarHBondContact O-N 3.5Å; T314-G318 PolarHBondContact O-N 2.89Å; T314-G319 WeakPolarHBondContact O-CA 3.45Å; T314-G319 PolarHBondContact O-N 3.15Å; T314-N320 VanDerWaalsContact CG2-O 3.3Å; T314-N320 WeakPolarHBondContact CG2-O 3.27Å; T314-L321 HydrophobicContact CG2-CB 4.19Å
315	V	98.6	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-70.1	-40.6	-177.9	175.8	0	0	0	0	111.9	K42 L311 V312 R313 L317 G318 I355 T375	K42-V315 HydrophobicContact CB-CG2 3.92Å; K42-V315 HydrophobicContact CD-CG1 4.25Å; K42-V315 HydrophobicContact CG-CG1 4.3Å; K42-V315 HydrophobicContact CG-CG2 4.39Å; L311-V315 HydrophobicContact CD1-CG2 3.91Å; L311-V315 WeakPolarHBondContact O-CB 3.32Å; L311-V315 VanDerWaalsContact O-CG2 3.29Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 2.58Å; V312-V315 PolarHBondContact O-N 2.76Å; R313-V315 PolarHBondContact O-N 3.15Å; V315-L317 PolarHBondContact O-N 2.64Å; V315-G318 PolarHBondContact O-N 3Å; V315-I355 HydrophobicContact CB-CD1 4.36Å; V315-I355 HydrophobicContact CG1-CD1 4.3Å; V315-I355 HydrophobicContact CG2-CG2 4.18Å; V315-T375 HydrophobicContact CG1-CG2 3.97Å
316	S	98.3	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59	-34.2	174.1	-76	0	0	0	0	112.5	V312 R313 G318 P360 Q364 Y374	V312-S316 VanDerWaalsContact O-CB 3.28Å; V312-S316 WeakPolarHBondContact O-CB 3.35Å; V312-S316 PolarHBondContact O-N 2.78Å; V312-S316 PolarHBondContact O-OG 3.15Å; R313-S316 PolarHBondContact O-N 2.76Å; S316-G318 VanDerWaalsContact C-N 3.28Å; S316-P360 WeakPolarHBondContact O-CB 3.38Å; S316-Q364 WeakPolarHBondContact O-CG 3.31Å; S316-Y374 VanDerWaalsContact CB-O 3.28Å; S316-Y374 WeakPolarHBondContact CB-O 3.31Å; S316-Y374 PolarHBondContact OG-O 2.78Å
317	L	98.1	Very high	98.4	Very high	6 Å²	6	4.6 Å²	4.6	3%	0.031	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	13.4	174.7	-72.8	161.1	0	0	0	113.4	P271 L274 P275 W279 R313 T314 V315 G319 Q364 W373	P271-L317 HydrophobicContact CG-CD1 4.5Å; P271-L317 WeakPolarHBondContact O-CD1 3.27Å; L274-L317 VanDerWaalsContact CD1-O 3.25Å; L274-L317 WeakPolarHBondContact CD1-O 3.41Å; P275-L317 WeakPolarHBondContact CD-O 3.5Å; W279-L317 HydrophobicContact CZ2-CB 3.79Å; W279-L317 PolarHBondContact NE1-O 3.01Å; R313-L317 WeakPolarHBondContact O-CB 3.34Å; R313-L317 PolarHBondContact O-N 3.45Å; T314-L317 CarbonylContact O-C 3.52Å; T314-L317 PolarHBondContact O-N 3.5Å; V315-L317 PolarHBondContact O-N 2.64Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.92Å; L317-Q364 HydrophobicContact CD2-CB 4.22Å; L317-Q364 HydrophobicContact CD2-CG 4.09Å; L317-W373 HydrophobicContact CD1-CH2 4.36Å; L317-W373 HydrophobicContact CD1-CZ3 4Å; L317-W373 HydrophobicContact CG-CZ3 4.14Å
318	G	97.6	Very high	98.4	Very high	10 Å²	10	4.5 Å²	4.5	10%	0.103	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	1.4	170.9	0	0	0	0	0	115.3	K278 T314 V315 S316	K278-G318 WeakPolarHBondContact CD-O 3.33Å; K278-G318 WeakPolarHBondContact CE-O 3.5Å; K278-G318 PolarHBondContact NZ-O 3.17Å; T314-G318 PolarHBondContact O-N 2.89Å; V315-G318 PolarHBondContact O-N 3Å; S316-G318 VanDerWaalsContact C-N 3.28Å
319	G	98.3	Very high	98.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.			trans	-82.5	172.6	-179.9	0	0	0	0	0	113.8	W279 T314 L317	W279-G319 VanDerWaalsContact CE2-CA 3.46Å; W279-G319 CarbonylContact O-C 3.29Å; W279-G319 WeakPolarHBondContact O-CA 3.24Å; T314-G319 WeakPolarHBondContact O-CA 3.45Å; T314-G319 PolarHBondContact O-N 3.15Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.92Å
320	N	98.8	Very high	98.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.8	158.2	-73.9	14.8	0	0	0	109.7	Y38 K42 Y117 K278 W279 E280 N281 T314	Y38-N320 HydrophobicContact CE1-CB 4.45Å; Y38-N320 PolarHBondContact O-ND2 2.61Å; K42-N320 WeakPolarHBondContact CA-OD1 3.29Å; K42-N320 CarbonylContact O-C 3.5Å; K42-N320 VanDerWaalsContact O-CA 3.24Å; K42-N320 WeakPolarHBondContact O-CA 3.4Å; Y117-N320 WeakPolarHBondContact OH-CB 3.34Å; K278-N320 WeakPolarHBondContact CE-OD1 3.09Å; K278-N320 PolarHBondContact NZ-OD1 3.42Å; W279-N320 PolarHBondContact O-N 3.16Å; E280-N320 CarbonylContact C-O 3.5Å; E280-N320 VanDerWaalsContact CA-O 3.3Å; E280-N320 WeakPolarHBondContact CA-O 3.43Å; E280-N320 HydrophobicContact CG-CB 4.46Å; N281-N320 PolarHBondContact N-O 2.52Å; T314-N320 VanDerWaalsContact CG2-O 3.3Å; T314-N320 WeakPolarHBondContact CG2-O 3.27Å
321	L	98.8	Very high	98.4	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	170	175.8	65.5	0	0	0	109.3	K42 F43 G44 N281 M283 I310 L311 T314 L323	K42-L321 PolarHBondContact O-N 2.78Å; F43-L321 WeakPolarHBondContact CA-O 3.48Å; F43-L321 HydrophobicContact CD2-CB 4.15Å; F43-L321 HydrophobicContact CD2-CD2 4.06Å; F43-L321 HydrophobicContact CD2-CG 4.14Å; F43-L321 WeakPolarHBondContact CD2-O 3.4Å; F43-L321 HydrophobicContact CE2-CD2 3.98Å; F43-L321 HydrophobicContact CE2-CG 4.27Å; G44-L321 PolarHBondContact N-O 2.78Å; N281-L321 HydrophobicContact CB-CD1 4.05Å; M283-L321 HydrophobicContact CG-CD1 3.52Å; M283-L321 HydrophobicContact SD-CD1 3.99Å; I310-L321 HydrophobicContact CG2-CD1 3.99Å; I310-L321 HydrophobicContact CG2-CD2 4.5Å; L311-L321 HydrophobicContact CB-CD2 3.74Å; L311-L321 HydrophobicContact CD1-CB 3.88Å; L311-L321 HydrophobicContact CD1-CD2 4.01Å; L311-L321 HydrophobicContact CG-CD2 4.43Å; T314-L321 HydrophobicContact CG2-CB 4.19Å; L321-L323 HydrophobicContact CD2-CB 4.5Å; L321-L323 HydrophobicContact CG-CB 4.34Å
322	L	98.8	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	97.5	170	-177.7	56.8	0	0	0	108.9	I45 F46 Y117 V119 E280 N281 M283	I45-L322 VanDerWaalsContact C-CD1 3.49Å; F46-L322 HydrophobicContact CB-CD1 3.91Å; F46-L322 HydrophobicContact CB-CD2 4.35Å; F46-L322 HydrophobicContact CB-CG 3.81Å; F46-L322 HydrophobicContact CD1-CD2 3.46Å; F46-L322 VanDerWaalsContact CD1-CD2 3.46Å; F46-L322 HydrophobicContact CD1-CG 3.67Å; F46-L322 HydrophobicContact CE1-CD2 3.86Å; F46-L322 HydrophobicContact CG-CD1 4.24Å; F46-L322 HydrophobicContact CG-CD2 3.86Å; F46-L322 HydrophobicContact CG-CG 3.87Å; Y117-L322 HydrophobicContact CD2-CD1 4.41Å; Y117-L322 HydrophobicContact CE2-CD1 3.76Å; V119-L322 HydrophobicContact CB-CD1 4.48Å; V119-L322 HydrophobicContact CG2-CD1 4.18Å; V119-L322 HydrophobicContact CG2-CD2 4.24Å; E280-L322 VanDerWaalsContact CD-CB 3.43Å; E280-L322 HydrophobicContact CG-CB 3.75Å; E280-L322 WeakPolarHBondContact OE1-CD2 3.25Å; E280-L322 VanDerWaalsContact OE2-CB 3.32Å; E280-L322 WeakPolarHBondContact OE2-CB 3.46Å; N281-L322 PolarHBondContact O-N 3.31Å; M283-L322 PolarHBondContact N-O 2.68Å; M283-L322 VanDerWaalsContact N-O 3.15Å
323	L	98.8	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.5	-172.1	-177.9	65.4	0	0	0	110.9	F43 G44 I45 F46 M283 I285 L307 L321 I344	F43-L323 HydrophobicContact CE2-CB 3.72Å; F43-L323 HydrophobicContact CE2-CD2 4.13Å; F43-L323 HydrophobicContact CZ-CB 4.3Å; F43-L323 HydrophobicContact CZ-CD2 4.15Å; G44-L323 PolarHBondContact O-N 2.93Å; I45-L323 CarbonylContact C-O 3.48Å; I45-L323 WeakPolarHBondContact CA-O 3.05Å; I45-L323 HydrophobicContact CD1-CB 4.24Å; F46-L323 PolarHBondContact N-O 2.96Å; M283-L323 HydrophobicContact CE-CD1 3.61Å; M283-L323 HydrophobicContact CG-CD1 4.09Å; M283-L323 CarbonylContact O-C 3.48Å; M283-L323 HydrophobicContact SD-CD1 3.96Å; I285-L323 HydrophobicContact CD1-CD2 3.92Å; I285-L323 HydrophobicContact CD1-CG 4.25Å; I285-L323 HydrophobicContact CG1-CD1 3.76Å; I285-L323 HydrophobicContact CG1-CD2 3.81Å; I285-L323 HydrophobicContact CG1-CG 3.79Å; L307-L323 HydrophobicContact CD1-CD2 4.48Å; L307-L323 HydrophobicContact CD2-CD1 3.87Å; L307-L323 HydrophobicContact CD2-CD2 4.35Å; L321-L323 HydrophobicContact CD2-CB 4.5Å; L321-L323 HydrophobicContact CG-CB 4.34Å; L323-I344 HydrophobicContact CD2-CD1 3.45Å; L323-I344 VanDerWaalsContact CD2-CD1 3.45Å
324	N	98.8	Very high	98.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.1	-178	-179.6	80	0	0	0	113.5	F46 H48 M283 T284 I285 W290	F46-N324 HydrophobicContact CB-CB 3.79Å; F46-N324 CarbonylContact O-C 3.46Å; F46-N324 VanDerWaalsContact O-CA 3.3Å; F46-N324 WeakPolarHBondContact O-CA 3.34Å; H48-N324 PolarHBondContact N-OD1 3.12Å; H48-N324 VanDerWaalsContact N-OD1 3.09Å; H48-N324 PolarHBondContact ND1-OD1 2.98Å; M283-N324 WeakPolarHBondContact O-CB 3.49Å; M283-N324 PolarHBondContact O-N 2.9Å; T284-N324 HydrophobicContact CG2-CB 3.77Å; I285-N324 PolarHBondContact N-O 2.76Å; W290-N324 HydrophobicContact CE3-CB 3.73Å; W290-N324 HydrophobicContact CZ3-CB 3.81Å; W290-N324 PolarHBondContact O-ND2 2.83Å
325	V	98.1	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.3	163.4	-60.9	0	0	0	0	110.5	I45 F46 M47 H48 I285 F337 L341	I45-V325 HydrophobicContact CG2-CG1 4.4Å; I45-V325 HydrophobicContact CG2-CG2 3.82Å; F46-V325 PolarHBondContact O-N 3.27Å; M47-V325 WeakPolarHBondContact CA-O 3.2Å; M47-V325 HydrophobicContact CB-CG2 4.47Å; M47-V325 HydrophobicContact CE-CG2 3.72Å; M47-V325 HydrophobicContact CG-CG2 4.49Å; H48-V325 PolarHBondContact N-O 2.84Å; I285-V325 HydrophobicContact CD1-CG1 3.87Å; V325-F337 HydrophobicContact CB-CB 4.42Å; V325-F337 HydrophobicContact CB-CD1 4.13Å; V325-F337 HydrophobicContact CB-CG 4.36Å; V325-F337 HydrophobicContact CG1-CB 4.27Å; V325-F337 HydrophobicContact CG1-CD1 4.09Å; V325-F337 HydrophobicContact CG1-CG 4.48Å; V325-L341 HydrophobicContact CG1-CD1 3.79Å; V325-L341 HydrophobicContact CG1-CD2 3.92Å; V325-L341 HydrophobicContact CG1-CG 3.95Å
326	A	97.8	Very high	98.2	Very high	2 Å²	2	15 Å²	15	2%	0.017	8%	0.081	C	C	.	.			trans	-130.4	104.8	-175.2	0	0	0	0	0	110.9	W290 G291 F337	W290-A326 VanDerWaalsContact O-CB 3.27Å; W290-A326 WeakPolarHBondContact O-CB 3.36Å; G291-A326 VanDerWaalsContact C-CB 3.42Å; A326-F337 HydrophobicContact CB-CE2 4.26Å; A326-F337 HydrophobicContact CB-CZ 3.98Å; A326-F337 WeakPolarHBondContact O-CE2 3.4Å
327	P	98.4	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.			trans	-71.6	154.5	175.4	-13.8	27.7	0	0	0	112.7	M47 W49 S53 F106 Y292 E332 I333	M47-P327 HydrophobicContact CE-CG 3.92Å; M47-P327 HydrophobicContact CG-CG 3.8Å; M47-P327 HydrophobicContact SD-CG 3.64Å; W49-P327 HydrophobicContact CB-CG 4.14Å; W49-P327 HydrophobicContact CD2-CB 4.17Å; W49-P327 HydrophobicContact CD2-CG 4.2Å; W49-P327 HydrophobicContact CG-CB 4.01Å; W49-P327 HydrophobicContact CG-CG 3.9Å; S53-P327 PolarHBondContact OG-O 2.87Å; F106-P327 HydrophobicContact CE1-CB 4.07Å; F106-P327 HydrophobicContact CE1-CG 3.74Å; F106-P327 HydrophobicContact CZ-CB 4.04Å; F106-P327 HydrophobicContact CZ-CG 4.22Å; Y292-P327 VanDerWaalsContact CB-O 3.32Å; Y292-P327 WeakPolarHBondContact CB-O 3.3Å; P327-E332 WeakPolarHBondContact CA-O 3.36Å; P327-I333 HydrophobicContact CG-CG1 4.42Å
328	T	98.5	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.			trans	-68.4	160.7	171.8	65.4	0	0	0	0	111.3	W49 Y292 Y330 G331 E332 T334	W49-T328 PolarHBondContact NE1-O 3.34Å; Y292-T328 HydrophobicContact CD1-CG2 3.99Å; Y292-T328 HydrophobicContact CD2-CG2 4.1Å; Y292-T328 HydrophobicContact CE1-CG2 3.83Å; Y292-T328 HydrophobicContact CE2-CG2 3.97Å; Y292-T328 HydrophobicContact CG-CG2 4.12Å; T328-Y330 HydrophobicContact CG2-CE1 4.06Å; T328-Y330 HydrophobicContact CG2-CE2 4.02Å; T328-Y330 PolarHBondContact O-N 2.72Å; T328-Y330 WeakPolarHBondContact OG1-CD2 3.45Å; T328-Y330 WeakPolarHBondContact OG1-CE2 3.41Å; T328-G331 PolarHBondContact O-N 3.42Å; T328-G331 PolarHBondContact OG1-N 3.26Å; T328-E332 PolarHBondContact N-O 3.12Å; T328-E332 PolarHBondContact OG1-N 2.7Å; T328-T334 HydrophobicContact CG2-CG2 3.5Å; T328-T334 VanDerWaalsContact CG2-CG2 3.5Å
329	H	98.4	Very high	98.3	Very high	47 Å²	47	20.3 Å²	20.3	22%	0.218	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.7	176.4	64.5	-86.3	0	0	0	114	S53 V54 M95 F96 C98 G331	S53-H329 WeakPolarHBondContact O-CB 3.33Å; V54-H329 HydrophobicContact CB-CB 4.32Å; V54-H329 HydrophobicContact CG2-CB 3.73Å; M95-H329 PolarHBondContact O-CD2 2.65Å; F96-H329 HydrophobicContact CD2-CB 3.92Å; F96-H329 HydrophobicContact CE2-CB 4.45Å; C98-H329 PolarHBondContact N-O 3.49Å; H329-G331 PolarHBondContact O-N 3.37Å
330	Y	98.3	Very high	98.3	Very high	64 Å²	64	21.3 Å²	21.3	25%	0.251	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.5	176.4	53.5	-102.1	0	0	0	113.5	C98 E99 L100 T328 E332	C98-Y330 CarbonylContact C-O 3.54Å; E99-Y330 PolarHBondContact N-O 3.16Å; E99-Y330 VanDerWaalsContact OE1-CB 3.32Å; E99-Y330 WeakPolarHBondContact OE1-CB 3.49Å; E99-Y330 WeakPolarHBondContact OE2-CA 3.43Å; E99-Y330 WeakPolarHBondContact OE2-CB 3.45Å; L100-Y330 WeakPolarHBondContact CA-O 3.16Å; L100-Y330 HydrophobicContact CB-CD2 4.44Å; L100-Y330 WeakPolarHBondContact CB-O 3.48Å; L100-Y330 HydrophobicContact CD1-CD2 3.73Å; L100-Y330 HydrophobicContact CD1-CE2 4.1Å; L100-Y330 HydrophobicContact CG-CD2 4.18Å; L100-Y330 PolarHBondContact N-O 3.13Å; T328-Y330 HydrophobicContact CG2-CE1 4.06Å; T328-Y330 HydrophobicContact CG2-CE2 4.02Å; T328-Y330 PolarHBondContact O-N 2.72Å; T328-Y330 WeakPolarHBondContact OG1-CD2 3.45Å; T328-Y330 WeakPolarHBondContact OG1-CE2 3.41Å; Y330-E332 HydrophobicContact CD2-CB 4.02Å; Y330-E332 HydrophobicContact CE2-CB 3.61Å
331	G	98.4	Very high	98.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	90.3	39.4	169.2	0	0	0	0	0	115.5	L100 F106 T328 H329	L100-G331 CarbonylContact C-O 3.54Å; F106-G331 WeakPolarHBondContact CE2-O 3.42Å; F106-G331 WeakPolarHBondContact CZ-O 3.47Å; T328-G331 PolarHBondContact O-N 3.42Å; T328-G331 PolarHBondContact OG1-N 3.26Å; H329-G331 PolarHBondContact O-N 3.37Å
332	E	97.7	Very high	98.3	Very high	43 Å²	43	25.9 Å²	25.9	20%	0.201	12%	0.124	C	C	.	.			trans	-117.9	131.7	174.2	-176.1	166.2	-146.2	0	0	112.1	R105 P327 T328 Y330 T334	R105-E332 IonicContact NH2-OE1 2.83Å; P327-E332 WeakPolarHBondContact CA-O 3.36Å; T328-E332 PolarHBondContact N-O 3.12Å; T328-E332 PolarHBondContact OG1-N 2.7Å; Y330-E332 HydrophobicContact CD2-CB 4.02Å; Y330-E332 HydrophobicContact CE2-CB 3.61Å; E332-T334 PolarHBondContact O-N 3.19Å
333	I	98.3	Very high	98.3	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	13%	0.131	C	C	.	.			trans	-77.2	106.9	159	-60.5	173.9	0	0	0	106.1	M47 F106 T109 P327 F337 E338	M47-I333 HydrophobicContact CE-CD1 3.96Å; M47-I333 HydrophobicContact CE-CG1 4.32Å; F106-I333 HydrophobicContact CB-CD1 4.47Å; F106-I333 HydrophobicContact CD1-CD1 3.92Å; F106-I333 HydrophobicContact CD1-CG1 4.15Å; F106-I333 HydrophobicContact CD2-CD1 4.28Å; F106-I333 HydrophobicContact CD2-CG1 4.39Å; F106-I333 HydrophobicContact CE1-CD1 4.18Å; F106-I333 HydrophobicContact CE1-CG1 3.88Å; F106-I333 HydrophobicContact CE2-CG1 4.13Å; F106-I333 HydrophobicContact CG-CD1 3.97Å; F106-I333 HydrophobicContact CG-CG1 4.39Å; F106-I333 HydrophobicContact CZ-CD1 4.47Å; F106-I333 HydrophobicContact CZ-CG1 3.86Å; T109-I333 HydrophobicContact CG2-CD1 4.03Å; T109-I333 HydrophobicContact CG2-CG2 4.43Å; P327-I333 HydrophobicContact CG-CG1 4.42Å; I333-F337 HydrophobicContact CG2-CB 3.71Å; I333-E338 HydrophobicContact CG2-CB 4.28Å
334	T	97.5	Very high	98.3	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.074	13%	0.131	C	C	.	.			trans	-62.1	156	-172.4	66.5	0	0	0	0	112.1	Y292 T328 E332 I336 F337 E338	Y292-T334 HydrophobicContact CD2-CG2 4.12Å; Y292-T334 HydrophobicContact CE2-CG2 3.63Å; T328-T334 HydrophobicContact CG2-CG2 3.5Å; T328-T334 VanDerWaalsContact CG2-CG2 3.5Å; E332-T334 PolarHBondContact O-N 3.19Å; T334-I336 PolarHBondContact O-N 3.47Å; T334-I336 WeakPolarHBondContact OG1-CG2 3.24Å; T334-F337 PolarHBondContact O-N 2.68Å; T334-F337 WeakPolarHBondContact OG1-CD2 3.32Å; T334-E338 PolarHBondContact O-N 2.97Å
335	P	97.5	Very high	98.2	Very high	92 Å²	92	27.9 Å²	27.9	60%	0.597	14%	0.135	S	C	*	.	H	α-helix	trans	-52.6	-33.5	-175.7	-31.6	36.6	0	0	0	115.1	E338 E339	P335-E338 PolarHBondContact O-N 3.44Å; P335-E339 WeakPolarHBondContact O-CB 3.36Å; P335-E339 PolarHBondContact O-N 2.99Å
336	I	97.7	Very high	98.2	Very high	31 Å²	31	33 Å²	33	16%	0.159	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-42.5	178.1	-175.3	59.2	0	0	0	112.4	L298 Y301 T334 R340	L298-I336 HydrophobicContact CD1-CD1 3.93Å; Y301-I336 HydrophobicContact CD1-CG1 4.41Å; Y301-I336 HydrophobicContact CD2-CG1 3.81Å; Y301-I336 HydrophobicContact CE1-CG2 4.32Å; Y301-I336 HydrophobicContact CE2-CG1 4.19Å; Y301-I336 HydrophobicContact CE2-CG2 4.07Å; Y301-I336 HydrophobicContact CG-CG1 3.91Å; T334-I336 PolarHBondContact O-N 3.47Å; T334-I336 WeakPolarHBondContact OG1-CG2 3.24Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.2Å; I336-R340 PolarHBondContact O-N 2.94Å
337	F	98.4	Very high	98.3	Very high	2 Å²	2	33 Å²	33	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-45.6	174.1	-70.2	-68	0	0	0	110.4	I285 Y292 Y301 V325 A326 I333 T334 E339 R340 L341	I285-F337 HydrophobicContact CB-CD1 3.8Å; I285-F337 HydrophobicContact CB-CE1 3.84Å; I285-F337 HydrophobicContact CD1-CD1 4.12Å; I285-F337 HydrophobicContact CG1-CD1 4.43Å; I285-F337 HydrophobicContact CG2-CD1 3.92Å; I285-F337 HydrophobicContact CG2-CE1 4.13Å; Y292-F337 HydrophobicContact CD2-CE2 4.33Å; Y301-F337 HydrophobicContact CD1-CE1 4.47Å; Y301-F337 HydrophobicContact CE1-CE1 4.12Å; Y301-F337 HydrophobicContact CE1-CE2 4.31Å; Y301-F337 AromaticContact CE1-CZ 3.79Å; Y301-F337 HydrophobicContact CE1-CZ 3.79Å; V325-F337 HydrophobicContact CB-CB 4.42Å; V325-F337 HydrophobicContact CB-CD1 4.13Å; V325-F337 HydrophobicContact CB-CG 4.36Å; V325-F337 HydrophobicContact CG1-CB 4.27Å; V325-F337 HydrophobicContact CG1-CD1 4.09Å; V325-F337 HydrophobicContact CG1-CG 4.48Å; A326-F337 HydrophobicContact CB-CE2 4.26Å; A326-F337 HydrophobicContact CB-CZ 3.98Å; A326-F337 WeakPolarHBondContact O-CE2 3.4Å; I333-F337 HydrophobicContact CG2-CB 3.71Å; T334-F337 PolarHBondContact O-N 2.68Å; T334-F337 WeakPolarHBondContact OG1-CD2 3.32Å; F337-E339 PolarHBondContact O-N 3.13Å; F337-R340 PolarHBondContact O-N 3.32Å; F337-L341 WeakPolarHBondContact O-CB 3.35Å; F337-L341 VanDerWaalsContact O-CG 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.21Å; F337-L341 PolarHBondContact O-N 3.44Å
338	E	98.4	Very high	98.3	Very high	32 Å²	32	33.2 Å²	33.2	15%	0.15	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-42.3	178.6	-179.6	168.9	176.2	0	0	112.1	R105 T109 I333 T334 P335 L341 R342	R105-E338 IonicContact NH2-OE2 3.55Å; T109-E338 HydrophobicContact CG2-CB 4.34Å; T109-E338 HydrophobicContact CG2-CG 3.98Å; I333-E338 HydrophobicContact CG2-CB 4.28Å; T334-E338 PolarHBondContact O-N 2.97Å; P335-E338 PolarHBondContact O-N 3.44Å; E338-L341 PolarHBondContact O-N 2.85Å; E338-R342 HydrophobicContact CG-CG 4.32Å; E338-R342 WeakPolarHBondContact O-CB 3.45Å; E338-R342 VanDerWaalsContact O-CG 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 2.7Å; E338-R342 IonicContact OE1-CZ 2.88Å; E338-R342 IonicContact OE1-NE 2.88Å; E338-R342 PolarHBondContact OE1-NE 3.42Å; E338-R342 IonicContact OE1-NH2 2.66Å; E338-R342 PolarHBondContact OE1-NH2 3.12Å
339	E	98.4	Very high	98.3	Very high	94 Å²	94	42.2 Å²	42.2	44%	0.439	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-53.1	176.3	178.1	178.1	85.9	0	0	111	P335 F337 L341 R342 Q343	P335-E339 WeakPolarHBondContact O-CB 3.36Å; P335-E339 PolarHBondContact O-N 2.99Å; F337-E339 PolarHBondContact O-N 3.13Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 2.95Å; E339-R342 PolarHBondContact O-N 3.05Å; E339-Q343 HydrophobicContact CG-CG 4.24Å; E339-Q343 WeakPolarHBondContact O-CB 3.43Å; E339-Q343 WeakPolarHBondContact O-CG 3.23Å; E339-Q343 PolarHBondContact O-N 3.25Å
340	R	98.4	Very high	98.2	Very high	20 Å²	20	42 Å²	42	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-43.7	-180	-67.9	-69	176.4	-80.8	-10.4	111.9	I285 H302 L307 I336 F337 Q343 I344	I285-R340 HydrophobicContact CD1-CB 3.82Å; I285-R340 HydrophobicContact CG2-CB 4.25Å; I285-R340 HydrophobicContact CG2-CG 3.97Å; H302-R340 WeakPolarHBondContact O-CD 3.4Å; H302-R340 PolarHBondContact O-NE 3.11Å; L307-R340 HydrophobicContact CD1-CB 3.94Å; L307-R340 HydrophobicContact CD1-CG 4.17Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.2Å; I336-R340 PolarHBondContact O-N 2.94Å; F337-R340 PolarHBondContact O-N 3.32Å; R340-Q343 PolarHBondContact O-N 3.38Å; R340-I344 WeakPolarHBondContact O-CG1 3.28Å; R340-I344 PolarHBondContact O-N 3.28Å
341	L	98.7	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-52.5	174.9	-74.1	-174	0	0	0	111.4	I45 T109 I110 S113 I285 V325 F337 E338 E339 Q343 I344 G345	I45-L341 HydrophobicContact CD1-CD2 3.37Å; I45-L341 HydrophobicContact CG1-CD2 4.11Å; T109-L341 HydrophobicContact CG2-CD1 3.78Å; I110-L341 HydrophobicContact CD1-CD1 4.25Å; S113-L341 VanDerWaalsContact CA-O 3.24Å; S113-L341 WeakPolarHBondContact CA-O 3.34Å; S113-L341 WeakPolarHBondContact CB-O 3.44Å; I285-L341 HydrophobicContact CD1-CD2 4.25Å; I285-L341 HydrophobicContact CD1-CG 4.45Å; V325-L341 HydrophobicContact CG1-CD1 3.79Å; V325-L341 HydrophobicContact CG1-CD2 3.92Å; V325-L341 HydrophobicContact CG1-CG 3.95Å; F337-L341 WeakPolarHBondContact O-CB 3.35Å; F337-L341 VanDerWaalsContact O-CG 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.21Å; F337-L341 PolarHBondContact O-N 3.44Å; E338-L341 PolarHBondContact O-N 2.85Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 2.95Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; L341-Q343 PolarHBondContact O-N 2.92Å; L341-I344 PolarHBondContact O-N 3.2Å; L341-G345 PolarHBondContact O-N 2.96Å
342	R	98.5	Very high	98.2	Very high	97 Å²	97	39.2 Å²	39.2	37%	0.366	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-37.2	-179.4	-72.2	180	-179.8	-69.8	-3.1	112.4	A112 E338 E339 G345 Q346	A112-R342 HydrophobicContact CB-CG 4.17Å; E338-R342 HydrophobicContact CG-CG 4.32Å; E338-R342 WeakPolarHBondContact O-CB 3.45Å; E338-R342 VanDerWaalsContact O-CG 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 2.7Å; E338-R342 IonicContact OE1-CZ 2.88Å; E338-R342 IonicContact OE1-NE 2.88Å; E338-R342 PolarHBondContact OE1-NE 3.42Å; E338-R342 IonicContact OE1-NH2 2.66Å; E338-R342 PolarHBondContact OE1-NH2 3.12Å; E339-R342 PolarHBondContact O-N 3.05Å; R342-G345 PolarHBondContact O-N 2.69Å; R342-Q346 VanDerWaalsContact O-CG 3.27Å; R342-Q346 WeakPolarHBondContact O-CG 3.32Å; R342-Q346 PolarHBondContact O-N 3.13Å
343	Q	98.4	Very high	98.2	Very high	32 Å²	32	41 Å²	41	15%	0.15	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-43.8	176.4	-73.6	171.4	-25.9	0	0	111.7	I304 E339 R340 L341 G345 Q346 W347 W455	I304-Q343 HydrophobicContact CB-CB 4.44Å; I304-Q343 HydrophobicContact CD1-CB 3.47Å; I304-Q343 VanDerWaalsContact CD1-CB 3.47Å; I304-Q343 HydrophobicContact CG1-CB 3.71Å; E339-Q343 HydrophobicContact CG-CG 4.24Å; E339-Q343 WeakPolarHBondContact O-CB 3.43Å; E339-Q343 WeakPolarHBondContact O-CG 3.23Å; E339-Q343 PolarHBondContact O-N 3.25Å; R340-Q343 PolarHBondContact O-N 3.38Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; L341-Q343 PolarHBondContact O-N 2.92Å; Q343-G345 VanDerWaalsContact C-N 3.29Å; Q343-G345 PolarHBondContact O-N 2.61Å; Q343-Q346 WeakPolarHBondContact O-CB 3.46Å; Q343-Q346 PolarHBondContact O-N 3.01Å; Q343-W347 PolarHBondContact O-N 3.21Å; Q343-W347 VanDerWaalsContact O-N 3.13Å; Q343-W455 HydrophobicContact CB-CH2 3.56Å; Q343-W455 HydrophobicContact CB-CZ2 4.02Å; Q343-W455 HydrophobicContact CB-CZ3 4.09Å; Q343-W455 HydrophobicContact CG-CH2 3.67Å; Q343-W455 HydrophobicContact CG-CZ2 3.82Å; Q343-W455 WeakPolarHBondContact O-CZ3 3.31Å
344	I	98.7	Very high	98.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-46	172.4	-68.2	167.2	0	0	0	110.1	F43 I304 L307 L311 L323 R340 L341 Q346 W347 L348	F43-I344 HydrophobicContact CD1-CG2 4.45Å; F43-I344 HydrophobicContact CE1-CG2 3.78Å; F43-I344 HydrophobicContact CZ-CD1 4.22Å; F43-I344 HydrophobicContact CZ-CG2 3.9Å; I304-I344 HydrophobicContact CD1-CG1 3.63Å; L307-I344 HydrophobicContact CB-CD1 4.09Å; L307-I344 HydrophobicContact CB-CG1 4.45Å; L307-I344 HydrophobicContact CD1-CD1 4.07Å; L311-I344 HydrophobicContact CD2-CG2 4.42Å; L323-I344 HydrophobicContact CD2-CD1 3.45Å; L323-I344 VanDerWaalsContact CD2-CD1 3.45Å; R340-I344 WeakPolarHBondContact O-CG1 3.28Å; R340-I344 PolarHBondContact O-N 3.28Å; L341-I344 PolarHBondContact O-N 3.2Å; I344-Q346 PolarHBondContact O-N 3Å; I344-W347 PolarHBondContact O-N 3.28Å; I344-L348 HydrophobicContact CG2-CD1 3.6Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 PolarHBondContact O-N 3.48Å
345	G	98.6	Very high	98.3	Very high	8 Å²	8	40.2 Å²	40.2	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-35.2	179.1	0	0	0	0	0	114.5	A112 S113 L341 R342 Q343 W347 L348 K349	A112-G345 WeakPolarHBondContact O-CA 3.36Å; S113-G345 VanDerWaalsContact C-CA 3.43Å; S113-G345 WeakPolarHBondContact O-CA 3.33Å; S113-G345 PolarHBondContact O-N 2.9Å; L341-G345 PolarHBondContact O-N 2.96Å; R342-G345 PolarHBondContact O-N 2.69Å; Q343-G345 VanDerWaalsContact C-N 3.29Å; Q343-G345 PolarHBondContact O-N 2.61Å; G345-W347 VanDerWaalsContact C-N 3.31Å; G345-W347 PolarHBondContact O-N 3.12Å; G345-L348 PolarHBondContact O-N 3.35Å; G345-K349 WeakPolarHBondContact O-CB 3.38Å; G345-K349 PolarHBondContact O-N 3.12Å
346	Q	98.1	Very high	98.3	Very high	108 Å²	108	37.7 Å²	37.7	51%	0.505	17%	0.173	S	C	.	.	H	α-helix	trans	-59.5	-43.5	171.8	-76	169.8	9.9	0	0	111	R342 Q343 I344 W455	R342-Q346 VanDerWaalsContact O-CG 3.27Å; R342-Q346 WeakPolarHBondContact O-CG 3.32Å; R342-Q346 PolarHBondContact O-N 3.13Å; Q343-Q346 WeakPolarHBondContact O-CB 3.46Å; Q343-Q346 PolarHBondContact O-N 3.01Å; I344-Q346 PolarHBondContact O-N 3Å; Q346-W455 HydrophobicContact CB-CZ3 4.36Å
347	W	98.5	Very high	98.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-46.5	176.8	-175.9	83.2	0	0	0	112.1	I308 L311 V312 Q343 I344 G345 K349 I350 N351 I355 I397 W455 A456 V458	I308-W347 HydrophobicContact CD1-CB 3.8Å; I308-W347 HydrophobicContact CD1-CD2 4.21Å; I308-W347 HydrophobicContact CD1-CG 3.73Å; I308-W347 HydrophobicContact CG1-CD2 4.4Å; I308-W347 HydrophobicContact CG1-CG 4.4Å; I308-W347 HydrophobicContact CG2-CD2 4Å; I308-W347 HydrophobicContact CG2-CE3 4.25Å; I308-W347 HydrophobicContact CG2-CH2 4.35Å; I308-W347 HydrophobicContact CG2-CZ2 4.08Å; I308-W347 HydrophobicContact CG2-CZ3 4.41Å; L311-W347 HydrophobicContact CD2-CZ3 4.12Å; V312-W347 HydrophobicContact CG2-CH2 3.76Å; V312-W347 HydrophobicContact CG2-CZ2 4.23Å; Q343-W347 PolarHBondContact O-N 3.21Å; Q343-W347 VanDerWaalsContact O-N 3.13Å; I344-W347 PolarHBondContact O-N 3.28Å; G345-W347 VanDerWaalsContact C-N 3.31Å; G345-W347 PolarHBondContact O-N 3.12Å; W347-K349 VanDerWaalsContact C-N 3.28Å; W347-K349 PolarHBondContact O-N 2.98Å; W347-I350 PolarHBondContact O-N 3.31Å; W347-I350 VanDerWaalsContact O-N 3.1Å; W347-N351 VanDerWaalsContact CD1-ND2 3.29Å; W347-N351 HydrophobicContact CD2-CB 4.14Å; W347-N351 HydrophobicContact CE3-CB 4.47Å; W347-N351 HydrophobicContact CH2-CB 4.1Å; W347-N351 HydrophobicContact CZ2-CB 3.74Å; W347-N351 HydrophobicContact CZ3-CB 4.46Å; W347-N351 PolarHBondContact NE1-ND2 3.12Å; W347-N351 PolarHBondContact O-N 3.09Å; W347-I355 HydrophobicContact CH2-CD1 3.97Å; W347-I355 HydrophobicContact CH2-CG1 3.88Å; W347-I355 HydrophobicContact CZ3-CD1 4.16Å; W347-I355 HydrophobicContact CZ3-CG1 3.78Å; W347-I397 HydrophobicContact CZ2-CG2 4.19Å; W347-W455 HydrophobicContact CB-CE3 4.16Å; W347-W455 HydrophobicContact CB-CZ3 4.28Å; W347-A456 HydrophobicContact CZ2-CB 4.2Å; W347-A456 PolarHBondContact NE1-O 3.42Å; W347-V458 HydrophobicContact CZ2-CG2 4.35Å
348	L	98.6	Very high	98.2	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-27	178.7	-77	170.8	0	0	0	113.4	F43 L311 I344 G345 I350 G352 I355 Y356	F43-L348 HydrophobicContact CD1-CD1 3.71Å; F43-L348 HydrophobicContact CE1-CD1 4.19Å; F43-L348 HydrophobicContact CG-CD1 4.37Å; L311-L348 HydrophobicContact CD2-CD1 4.09Å; L311-L348 HydrophobicContact CD2-CD2 4.03Å; L311-L348 HydrophobicContact CD2-CG 4.29Å; I344-L348 HydrophobicContact CG2-CD1 3.6Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 PolarHBondContact O-N 3.48Å; G345-L348 PolarHBondContact O-N 3.35Å; L348-I350 PolarHBondContact O-N 2.94Å; L348-G352 WeakPolarHBondContact O-CA 3.44Å; L348-G352 PolarHBondContact O-N 2.95Å; L348-I355 HydrophobicContact CD2-CB 4.02Å; L348-I355 HydrophobicContact CD2-CG1 3.92Å; L348-I355 HydrophobicContact CD2-CG2 3.99Å; L348-Y356 HydrophobicContact CB-CE2 4.4Å; L348-Y356 WeakPolarHBondContact CD1-OH 3.34Å; L348-Y356 HydrophobicContact CD2-CE2 4.18Å
349	K	97.9	Very high	98.1	Very high	188 Å²	188	39.6 Å²	39.6	82%	0.817	19%	0.19	S	C	*	.	H	α-helix	trans	-61.9	-31.5	173.4	-174.4	177.9	178.9	-176.6	0	112.3	G345 W347	G345-K349 WeakPolarHBondContact O-CB 3.38Å; G345-K349 PolarHBondContact O-N 3.12Å; W347-K349 VanDerWaalsContact C-N 3.28Å; W347-K349 PolarHBondContact O-N 2.98Å
350	I	97.7	Very high	98	Very high	42 Å²	42	36.8 Å²	36.8	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-94.3	-48.5	-178.7	-60	161.8	0	0	0	110.4	W347 L348 A452 A453	W347-I350 PolarHBondContact O-N 3.31Å; W347-I350 VanDerWaalsContact O-N 3.1Å; L348-I350 PolarHBondContact O-N 2.94Å; I350-A452 HydrophobicContact CD1-CB 3.43Å; I350-A452 VanDerWaalsContact CD1-CB 3.43Å; I350-A452 HydrophobicContact CG1-CB 4.4Å; I350-A453 HydrophobicContact CD1-CB 4.09Å; I350-A453 HydrophobicContact CG2-CB 4.4Å
351	N	98.4	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-101	4.2	-169.1	-65.2	-51.4	0	0	0	113.5	W347 E353 A354 L423 V458	W347-N351 VanDerWaalsContact CD1-ND2 3.29Å; W347-N351 HydrophobicContact CD2-CB 4.14Å; W347-N351 HydrophobicContact CE3-CB 4.47Å; W347-N351 HydrophobicContact CH2-CB 4.1Å; W347-N351 HydrophobicContact CZ2-CB 3.74Å; W347-N351 HydrophobicContact CZ3-CB 4.46Å; W347-N351 PolarHBondContact NE1-ND2 3.12Å; W347-N351 PolarHBondContact O-N 3.09Å; N351-E353 PolarHBondContact O-N 3.04Å; N351-E353 VanDerWaalsContact O-N 3.11Å; N351-A354 PolarHBondContact O-N 3.18Å; N351-L423 WeakPolarHBondContact OD1-CB 3.12Å; N351-V458 HydrophobicContact CB-CG2 3.79Å; N351-V458 WeakPolarHBondContact OD1-CG2 3.45Å
352	G	98.3	Very high	97.7	Very high	8 Å²	8	40.8 Å²	40.8	8%	0.082	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.2	-24.8	-175.8	0	0	0	0	0	114.5	L348 A354 I355 Y356	L348-G352 WeakPolarHBondContact O-CA 3.44Å; L348-G352 PolarHBondContact O-N 2.95Å; G352-A354 PolarHBondContact O-N 2.91Å; G352-I355 PolarHBondContact O-N 2.95Å; G352-Y356 VanDerWaalsContact O-CD2 3.23Å; G352-Y356 WeakPolarHBondContact O-CD2 3.3Å; G352-Y356 PolarHBondContact O-N 3.12Å
353	E	97.6	Very high	97.5	Very high	80 Å²	80	39.7 Å²	39.7	37%	0.374	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-58.6	-33	173.2	-166.9	-168.2	146.3	0	0	112.2	N351 I355 T358 R377 Y395 L423 K460	N351-E353 PolarHBondContact O-N 3.04Å; N351-E353 VanDerWaalsContact O-N 3.11Å; E353-I355 VanDerWaalsContact C-N 3.3Å; E353-T358 WeakPolarHBondContact O-CG2 3.48Å; E353-R377 IonicContact OE1-CZ 3.87Å; E353-R377 IonicContact OE1-NH2 2.8Å; E353-R377 PolarHBondContact OE1-NH2 3.49Å; E353-Y395 HydrophobicContact CG-CE1 4.14Å; E353-Y395 WeakPolarHBondContact CG-OH 3.34Å; E353-Y395 PolarHBondContact OE1-OH 3.46Å; E353-L423 HydrophobicContact CB-CD1 4.06Å; E353-K460 WeakPolarHBondContact OE1-CE 3.36Å; E353-K460 IonicContact OE1-NZ 3.46Å; E353-K460 PolarHBondContact OE1-NZ 3.26Å
354	A	98.4	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-86.7	0.4	178.7	0	0	0	0	0	113.9	N351 G352 T358 T375 Y395 I397 L423 V458	N351-A354 PolarHBondContact O-N 3.18Å; G352-A354 PolarHBondContact O-N 2.91Å; A354-T358 VanDerWaalsContact C-CG2 3.44Å; A354-T358 WeakPolarHBondContact O-CG2 3.44Å; A354-T375 PolarHBondContact O-OG1 2.97Å; A354-Y395 HydrophobicContact CB-CD1 3.64Å; A354-Y395 HydrophobicContact CB-CD2 4.11Å; A354-Y395 HydrophobicContact CB-CE1 4.33Å; A354-Y395 HydrophobicContact CB-CG 3.5Å; A354-I397 HydrophobicContact CB-CD1 4.46Å; A354-L423 HydrophobicContact CB-CD1 4.1Å; A354-V458 HydrophobicContact CB-CB 4.49Å; A354-V458 HydrophobicContact CB-CG1 3.66Å; A354-V458 HydrophobicContact CB-CG2 4.15Å
355	I	98.7	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-71	-178.8	-62.5	-62.2	0	0	0	109.3	K42 V315 W347 L348 G352 E353 T358 I397	K42-I355 HydrophobicContact CB-CG2 3.85Å; K42-I355 HydrophobicContact CG-CG2 4.25Å; K42-I355 VanDerWaalsContact CG-O 3.27Å; K42-I355 WeakPolarHBondContact CG-O 3.36Å; V315-I355 HydrophobicContact CB-CD1 4.36Å; V315-I355 HydrophobicContact CG1-CD1 4.3Å; V315-I355 HydrophobicContact CG2-CG2 4.18Å; W347-I355 HydrophobicContact CH2-CD1 3.97Å; W347-I355 HydrophobicContact CH2-CG1 3.88Å; W347-I355 HydrophobicContact CZ3-CD1 4.16Å; W347-I355 HydrophobicContact CZ3-CG1 3.78Å; L348-I355 HydrophobicContact CD2-CB 4.02Å; L348-I355 HydrophobicContact CD2-CG1 3.92Å; L348-I355 HydrophobicContact CD2-CG2 3.99Å; G352-I355 PolarHBondContact O-N 2.95Å; E353-I355 VanDerWaalsContact C-N 3.3Å; I355-T358 WeakPolarHBondContact O-CB 3.41Å; I355-T358 WeakPolarHBondContact O-CG2 3.3Å; I355-T358 PolarHBondContact O-N 3.45Å; I355-T358 PolarHBondContact O-OG1 3.22Å; I355-I397 HydrophobicContact CD1-CD1 4.18Å
356	Y	98.5	Very high	97.2	Very high	40 Å²	40	44.7 Å²	44.7	16%	0.157	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	141.3	-176	-53.4	-63.6	0	0	0	111.2	A41 G114 K116 L348 G352 T358	A41-Y356 VanDerWaalsContact O-CD1 3.25Å; A41-Y356 WeakPolarHBondContact O-CD1 3.43Å; A41-Y356 WeakPolarHBondContact O-CE1 3.34Å; G114-Y356 PolarHBondContact O-OH 3.12Å; K116-Y356 HydrophobicContact CD-CE1 4.21Å; K116-Y356 VanDerWaalsContact CE-CE1 3.43Å; K116-Y356 HydrophobicContact CG-CD1 3.96Å; K116-Y356 HydrophobicContact CG-CE1 3.68Å; L348-Y356 HydrophobicContact CB-CE2 4.4Å; L348-Y356 WeakPolarHBondContact CD1-OH 3.34Å; L348-Y356 HydrophobicContact CD2-CE2 4.18Å; G352-Y356 VanDerWaalsContact O-CD2 3.23Å; G352-Y356 WeakPolarHBondContact O-CD2 3.3Å; G352-Y356 PolarHBondContact O-N 3.12Å; Y356-T358 PolarHBondContact O-N 3.4Å
357	S	96.7	Very high	97	Very high	55 Å²	55	43 Å²	43	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	27	178.6	-60.4	0	0	0	0	115.6	D40 K378	D40-S357 WeakPolarHBondContact CB-OG 3.25Å; D40-S357 VanDerWaalsContact CG-OG 3.31Å; D40-S357 PolarHBondContact O-N 2.97Å; D40-S357 VanDerWaalsContact O-N 3.09Å; D40-S357 VanDerWaalsContact OD1-CA 3.28Å; D40-S357 WeakPolarHBondContact OD1-CA 3.28Å; D40-S357 WeakPolarHBondContact OD1-CB 3.46Å; D40-S357 PolarHBondContact OD1-OG 2.91Å; S357-K378 WeakPolarHBondContact O-CD 3.29Å; S357-K378 VanDerWaalsContact O-CG 3.31Å; S357-K378 WeakPolarHBondContact O-CG 3.32Å
358	T	97.3	Very high	96.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	167.6	170.6	64.1	0	0	0	0	112.1	K42 E353 A354 I355 Y356 A376 K378 Y395	K42-T358 WeakPolarHBondContact CE-O 3.08Å; K42-T358 PolarHBondContact NZ-O 2.61Å; E353-T358 WeakPolarHBondContact O-CG2 3.48Å; A354-T358 VanDerWaalsContact C-CG2 3.44Å; A354-T358 WeakPolarHBondContact O-CG2 3.44Å; I355-T358 WeakPolarHBondContact O-CB 3.41Å; I355-T358 WeakPolarHBondContact O-CG2 3.3Å; I355-T358 PolarHBondContact O-N 3.45Å; I355-T358 PolarHBondContact O-OG1 3.22Å; Y356-T358 PolarHBondContact O-N 3.4Å; T358-A376 CarbonylContact C-O 3.6Å; T358-A376 VanDerWaalsContact CA-O 3.24Å; T358-A376 WeakPolarHBondContact CA-O 3.28Å; T358-A376 WeakPolarHBondContact CB-O 3.28Å; T358-K378 WeakPolarHBondContact O-CE 3.17Å; T358-Y395 HydrophobicContact CG2-CD2 4.33Å; T358-Y395 HydrophobicContact CG2-CE2 4.22Å
359	T	96.2	Very high	96.5	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.288	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	161.2	165.6	61.2	0	0	0	0	110	W361 A376 K378	T359-W361 PolarHBondContact O-N 3.23Å; T359-A376 PolarHBondContact N-O 3.5Å; T359-A376 PolarHBondContact O-N 2.9Å; T359-K378 HydrophobicContact CG2-CD 4.32Å; T359-K378 HydrophobicContact CG2-CG 3.43Å; T359-K378 VanDerWaalsContact CG2-CG 3.43Å
360	P	96.7	Very high	96.2	Very high	35 Å²	35	50.9 Å²	50.9	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	134.5	159.7	-27.2	37.9	0	0	0	110	L274 S316	L274-P360 HydrophobicContact CD1-CB 3.89Å; L274-P360 HydrophobicContact CD1-CG 3.62Å; L274-P360 HydrophobicContact CD2-CB 3.9Å; L274-P360 HydrophobicContact CD2-CG 4.4Å; S316-P360 WeakPolarHBondContact O-CB 3.38Å
361	W	95.6	Very high	96.1	Very high	18 Å²	18	51.8 Å²	51.8	7%	0.068	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	169.2	167.3	-173.4	49.8	0	0	0	109.9	T359 F363 Q364 Y374 A376 V394 L411 V412	T359-W361 PolarHBondContact O-N 3.23Å; W361-F363 HydrophobicContact CE3-CB 4.04Å; W361-F363 HydrophobicContact CE3-CD2 4.49Å; W361-F363 HydrophobicContact CH2-CD2 4.28Å; W361-F363 HydrophobicContact CZ3-CB 4.09Å; W361-F363 HydrophobicContact CZ3-CD2 4.11Å; W361-F363 PolarHBondContact O-N 2.9Å; W361-Q364 PolarHBondContact O-NE2 3.45Å; W361-Y374 HydrophobicContact CE3-CD1 4.07Å; W361-Y374 AromaticContact CE3-CD2 3.75Å; W361-Y374 HydrophobicContact CE3-CD2 3.75Å; W361-Y374 HydrophobicContact CE3-CE2 4.39Å; W361-Y374 AromaticContact CE3-CG 3.56Å; W361-Y374 HydrophobicContact CE3-CG 3.56Å; W361-Y374 HydrophobicContact CZ3-CD1 4.09Å; W361-Y374 AromaticContact CZ3-CD2 3.77Å; W361-Y374 HydrophobicContact CZ3-CD2 3.77Å; W361-Y374 HydrophobicContact CZ3-CE1 4.26Å; W361-Y374 AromaticContact CZ3-CE2 3.94Å; W361-Y374 HydrophobicContact CZ3-CE2 3.94Å; W361-Y374 AromaticContact CZ3-CG 3.86Å; W361-Y374 HydrophobicContact CZ3-CG 3.86Å; W361-A376 HydrophobicContact CB-CB 3.98Å; W361-A376 HydrophobicContact CG-CB 4.29Å; W361-V394 HydrophobicContact CD2-CG1 3.8Å; W361-V394 HydrophobicContact CD2-CG2 4.18Å; W361-V394 HydrophobicContact CE3-CG1 3.96Å; W361-V394 HydrophobicContact CG-CG1 4.2Å; W361-V394 HydrophobicContact CG-CG2 4.34Å; W361-V394 HydrophobicContact CH2-CG1 4.44Å; W361-V394 HydrophobicContact CZ2-CG1 4.3Å; W361-V394 HydrophobicContact CZ2-CG2 3.99Å; W361-V394 HydrophobicContact CZ3-CG1 4.28Å; W361-L411 HydrophobicContact CH2-CB 4.15Å; W361-L411 WeakPolarHBondContact CH2-O 3.03Å; W361-L411 HydrophobicContact CZ3-CB 4.05Å; W361-V412 HydrophobicContact CH2-CB 4.23Å; W361-V412 HydrophobicContact CH2-CG2 3.59Å; W361-V412 HydrophobicContact CZ2-CG2 4.42Å; W361-V412 HydrophobicContact CZ3-CG2 3.86Å
362	K	93.4	Very high	96.1	Very high	87 Å²	87	52 Å²	52	38%	0.378	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	-28.2	179.3	54.8	166.9	-179.9	-166.3	0	113.7	D466	K362-D466 WeakPolarHBondContact CD-OXT 3.33Å; K362-D466 WeakPolarHBondContact CE-OXT 3.2Å; K362-D466 PolarHBondContact NZ-O 2.89Å; K362-D466 PolarHBondContact NZ-OXT 3.49Å
363	F	95	Very high	96.1	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.32	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.6	168.9	-59.9	-78.6	0	0	0	108.5	W361 Y374 L411	W361-F363 HydrophobicContact CE3-CB 4.04Å; W361-F363 HydrophobicContact CE3-CD2 4.49Å; W361-F363 HydrophobicContact CH2-CD2 4.28Å; W361-F363 HydrophobicContact CZ3-CB 4.09Å; W361-F363 HydrophobicContact CZ3-CD2 4.11Å; W361-F363 PolarHBondContact O-N 2.9Å; F363-Y374 WeakPolarHBondContact O-CB 3.34Å; F363-L411 HydrophobicContact CB-CD1 3.6Å; F363-L411 HydrophobicContact CD1-CD1 3.94Å; F363-L411 HydrophobicContact CD2-CB 4.15Å; F363-L411 HydrophobicContact CD2-CD1 4.15Å; F363-L411 HydrophobicContact CG-CB 4.44Å; F363-L411 HydrophobicContact CG-CD1 3.61Å; F363-L411 HydrophobicContact CG-CG 4.43Å
364	Q	96.4	Very high	96.1	Very high	35 Å²	35	48.9 Å²	48.9	16%	0.164	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-26.1	-178.9	-66.7	75.6	46.4	0	0	112.8	S316 L317 W361 W373 Y374	S316-Q364 WeakPolarHBondContact O-CG 3.31Å; L317-Q364 HydrophobicContact CD2-CB 4.22Å; L317-Q364 HydrophobicContact CD2-CG 4.09Å; W361-Q364 PolarHBondContact O-NE2 3.45Å; Q364-W373 HydrophobicContact CB-CZ3 4.48Å; Q364-W373 CarbonylContact O-C 3.57Å; Q364-W373 WeakPolarHBondContact O-CA 3.21Å; Q364-W373 VanDerWaalsContact O-CE3 3.26Å; Q364-Y374 PolarHBondContact O-N 3.32Å
365	R	97.1	Very high	96.1	Very high	108 Å²	108	48.9 Å²	48.9	41%	0.408	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147	-178.7	-169.7	-174.8	-173.2	171.9	6.2	110.2	R370 V372 W373 L411	R365-R370 PolarHBondContact NE-O 3.5Å; R365-R370 PolarHBondContact NH2-O 3.11Å; R365-V372 WeakPolarHBondContact CG-O 3.5Å; R365-W373 HydrophobicContact CB-CD2 4.09Å; R365-W373 HydrophobicContact CB-CE3 4.04Å; R365-W373 HydrophobicContact CB-CH2 4.4Å; R365-W373 HydrophobicContact CB-CZ2 4.4Å; R365-W373 HydrophobicContact CB-CZ3 4.21Å; R365-W373 HydrophobicContact CG-CD2 4.07Å; R365-W373 HydrophobicContact CG-CE3 4.49Å; R365-W373 HydrophobicContact CG-CG 4.49Å; R365-W373 HydrophobicContact CG-CZ2 4.1Å; R365-L411 WeakPolarHBondContact O-CD1 3.01Å
366	D	96.6	Very high	96	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.032	24%	0.239	C	C	.	.			trans	-65.4	148.2	173.9	-165.3	-95.9	0	0	0	112.3	K368 S369 V372 Y374 H410	D366-K368 PolarHBondContact OD1-N 3.12Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; D366-S369 WeakPolarHBondContact OD1-CB 3.26Å; D366-S369 PolarHBondContact OD1-N 2.86Å; D366-V372 HydrophobicContact CB-CB 3.96Å; D366-V372 HydrophobicContact CB-CG1 4.34Å; D366-V372 PolarHBondContact N-O 3.47Å; D366-Y374 HydrophobicContact CB-CE2 3.79Å; D366-Y374 PolarHBondContact OD2-OH 2.86Å; D366-H410 IonicContact OD1-CE1 3.59Å; D366-H410 IonicContact OD1-CG 3.5Å; D366-H410 IonicContact OD1-ND1 2.85Å; D366-H410 PolarHBondContact OD1-ND1 3.13Å; D366-H410 PolarHBondContact OD2-N 3.29Å; D366-H410 IonicContact OD2-ND1 3.84Å
367	S	93.1	Very high	95.8	Very high	72 Å²	72	51.3 Å²	51.3	50%	0.503	25%	0.246	S	C	.	.	S	Bend	trans	-73.5	-27.8	-173.4	58.6	0	0	0	0	113.3	H410	S367-H410 WeakPolarHBondContact OG-CB 3.45Å
368	K	94	Very high	95.3	Very high	153 Å²	153	51 Å²	51	67%	0.665	24%	0.238	S	C	*	.	S	Bend	trans	-125.4	-36.6	178.1	-53.4	-171	-170.4	170.6	0	112.8	D366 R370	D366-K368 PolarHBondContact OD1-N 3.12Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; K368-R370 PolarHBondContact O-N 2.76Å
369	S	92.2	Very high	94.5	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.203	26%	0.263	C	S	.	.			trans	-78.6	75.1	176.8	-59.1	0	0	0	0	109.7	D366 D371 V372 T408	D366-S369 WeakPolarHBondContact OD1-CB 3.26Å; D366-S369 PolarHBondContact OD1-N 2.86Å; S369-D371 PolarHBondContact O-N 3.36Å; S369-V372 WeakPolarHBondContact O-CB 3.27Å; S369-V372 PolarHBondContact O-N 2.69Å; S369-T408 PolarHBondContact OG-O 3.14Å
370	R	92.6	Very high	93	Very high	178 Å²	178	58.9 Å²	58.9	67%	0.672	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.8	-169.3	-77.4	-174.1	-177	-176.5	2.1	114.9	R365 K368 V372	R365-R370 PolarHBondContact NE-O 3.5Å; R365-R370 PolarHBondContact NH2-O 3.11Å; K368-R370 PolarHBondContact O-N 2.76Å; R370-V372 VanDerWaalsContact C-N 3.3Å
371	D	95.8	Very high	91.1	Very high	62 Å²	62	64.7 Å²	64.7	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.6	176.8	-64.5	-47.9	0	0	0	113.1	S369 L399 K400	S369-D371 PolarHBondContact O-N 3.36Å; D371-L399 HydrophobicContact CB-CB 4.31Å; D371-L399 WeakPolarHBondContact O-CB 3.48Å; D371-L399 PolarHBondContact O-N 3.18Å; D371-K400 HydrophobicContact CB-CB 4.22Å; D371-K400 HydrophobicContact CB-CG 4.3Å; D371-K400 WeakPolarHBondContact OD2-CD 3.44Å; D371-K400 IonicContact OD2-NZ 3.88Å
372	V	98.1	Very high	89.1	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	178.3	-177.2	0	0	0	0	110.8	R365 D366 S369 R370 Y374 A396 I397 M398 L407 L409	R365-V372 WeakPolarHBondContact CG-O 3.5Å; D366-V372 HydrophobicContact CB-CB 3.96Å; D366-V372 HydrophobicContact CB-CG1 4.34Å; D366-V372 PolarHBondContact N-O 3.47Å; S369-V372 WeakPolarHBondContact O-CB 3.27Å; S369-V372 PolarHBondContact O-N 2.69Å; R370-V372 VanDerWaalsContact C-N 3.3Å; V372-Y374 HydrophobicContact CG1-CE1 4.04Å; V372-A396 HydrophobicContact CG1-CB 4.01Å; V372-I397 WeakPolarHBondContact CA-O 3.32Å; V372-M398 HydrophobicContact CG2-CB 4.39Å; V372-L407 HydrophobicContact CG2-CD1 3.84Å; V372-L409 HydrophobicContact CG1-CD2 3.95Å
373	W	98.4	Very high	87	Confident	21 Å²	21	76 Å²	76	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.8	176	-70.1	78.4	0	0	0	110.4	V312 R313 L317 Q364 R365 I397	V312-W373 HydrophobicContact CG1-CB 3.58Å; V312-W373 HydrophobicContact CG1-CG 4.05Å; R313-W373 HydrophobicContact CB-CE3 4.49Å; R313-W373 HydrophobicContact CB-CH2 4.19Å; R313-W373 HydrophobicContact CB-CZ2 4.33Å; R313-W373 HydrophobicContact CB-CZ3 4.29Å; R313-W373 HydrophobicContact CG-CD2 3.87Å; R313-W373 VanDerWaalsContact CG-CE2 3.46Å; R313-W373 HydrophobicContact CG-CE3 4.22Å; R313-W373 HydrophobicContact CG-CH2 3.79Å; R313-W373 HydrophobicContact CG-CZ2 3.44Å; R313-W373 VanDerWaalsContact CG-CZ2 3.44Å; R313-W373 HydrophobicContact CG-CZ3 4.17Å; L317-W373 HydrophobicContact CD1-CH2 4.36Å; L317-W373 HydrophobicContact CD1-CZ3 4Å; L317-W373 HydrophobicContact CG-CZ3 4.14Å; Q364-W373 HydrophobicContact CB-CZ3 4.48Å; Q364-W373 CarbonylContact O-C 3.57Å; Q364-W373 WeakPolarHBondContact O-CA 3.21Å; Q364-W373 VanDerWaalsContact O-CE3 3.26Å; R365-W373 HydrophobicContact CB-CD2 4.09Å; R365-W373 HydrophobicContact CB-CE3 4.04Å; R365-W373 HydrophobicContact CB-CH2 4.4Å; R365-W373 HydrophobicContact CB-CZ2 4.4Å; R365-W373 HydrophobicContact CB-CZ3 4.21Å; R365-W373 HydrophobicContact CG-CD2 4.07Å; R365-W373 HydrophobicContact CG-CE3 4.49Å; R365-W373 HydrophobicContact CG-CG 4.49Å; R365-W373 HydrophobicContact CG-CZ2 4.1Å; W373-I397 PolarHBondContact N-O 2.91Å; W373-I397 PolarHBondContact O-N 3.18Å
374	Y	98	Very high	85	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143	-174.2	-60.5	-71.5	0	0	0	112.4	S316 W361 F363 Q364 D366 V372 V394 Y395 A396 L409 L411 V412	S316-Y374 VanDerWaalsContact CB-O 3.28Å; S316-Y374 WeakPolarHBondContact CB-O 3.31Å; S316-Y374 PolarHBondContact OG-O 2.78Å; W361-Y374 HydrophobicContact CE3-CD1 4.07Å; W361-Y374 AromaticContact CE3-CD2 3.75Å; W361-Y374 HydrophobicContact CE3-CD2 3.75Å; W361-Y374 HydrophobicContact CE3-CE2 4.39Å; W361-Y374 AromaticContact CE3-CG 3.56Å; W361-Y374 HydrophobicContact CE3-CG 3.56Å; W361-Y374 HydrophobicContact CZ3-CD1 4.09Å; W361-Y374 AromaticContact CZ3-CD2 3.77Å; W361-Y374 HydrophobicContact CZ3-CD2 3.77Å; W361-Y374 HydrophobicContact CZ3-CE1 4.26Å; W361-Y374 AromaticContact CZ3-CE2 3.94Å; W361-Y374 HydrophobicContact CZ3-CE2 3.94Å; W361-Y374 AromaticContact CZ3-CG 3.86Å; W361-Y374 HydrophobicContact CZ3-CG 3.86Å; F363-Y374 WeakPolarHBondContact O-CB 3.34Å; Q364-Y374 PolarHBondContact O-N 3.32Å; D366-Y374 HydrophobicContact CB-CE2 3.79Å; D366-Y374 PolarHBondContact OD2-OH 2.86Å; V372-Y374 HydrophobicContact CG1-CE1 4.04Å; Y374-V394 HydrophobicContact CD1-CG1 3.92Å; Y374-Y395 VanDerWaalsContact CA-O 3.29Å; Y374-Y395 WeakPolarHBondContact CA-O 3.44Å; Y374-A396 HydrophobicContact CD1-CB 3.8Å; Y374-A396 HydrophobicContact CE1-CB 3.48Å; Y374-A396 VanDerWaalsContact CE1-CB 3.48Å; Y374-L409 HydrophobicContact CE1-CD2 4.32Å; Y374-L411 HydrophobicContact CE2-CB 4.42Å; Y374-L411 HydrophobicContact CE2-CD1 4.28Å; Y374-V412 HydrophobicContact CD1-CG2 4.26Å; Y374-V412 HydrophobicContact CE1-CG2 3.51Å
375	T	97.9	Very high	82.7	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	165.3	161.8	61.1	0	0	0	0	108.1	V315 A354 Y395 I397	V315-T375 HydrophobicContact CG1-CG2 3.97Å; A354-T375 PolarHBondContact O-OG1 2.97Å; T375-Y395 PolarHBondContact N-O 2.92Å; T375-Y395 VanDerWaalsContact N-O 3.13Å; T375-Y395 PolarHBondContact O-N 3.46Å; T375-I397 HydrophobicContact CG2-CD1 4.14Å
376	A	96.9	Very high	80.6	Confident	12 Å²	12	84.5 Å²	84.5	10%	0.099	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.1	175.9	0	0	0	0	0	110.4	T358 T359 W361 V393	T358-A376 CarbonylContact C-O 3.6Å; T358-A376 VanDerWaalsContact CA-O 3.24Å; T358-A376 WeakPolarHBondContact CA-O 3.28Å; T358-A376 WeakPolarHBondContact CB-O 3.28Å; T359-A376 PolarHBondContact N-O 3.5Å; T359-A376 PolarHBondContact O-N 2.9Å; W361-A376 HydrophobicContact CB-CB 3.98Å; W361-A376 HydrophobicContact CG-CB 4.29Å; A376-V393 WeakPolarHBondContact CA-O 3.39Å
377	R	94.4	Very high	78.3	Confident	80 Å²	80	90.9 Å²	90.9	30%	0.302	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.2	170	-174.6	-178.1	-70	172.7	-6.3	109.2	E353 K379 V393 Y395	E353-R377 IonicContact OE1-CZ 3.87Å; E353-R377 IonicContact OE1-NH2 2.8Å; E353-R377 PolarHBondContact OE1-NH2 3.49Å; R377-K379 PolarHBondContact O-N 3.18Å; R377-V393 HydrophobicContact CB-CB 3.94Å; R377-V393 PolarHBondContact N-O 2.53Å; R377-Y395 HydrophobicContact CB-CE2 4.08Å; R377-Y395 PolarHBondContact NE-OH 3.04Å; R377-Y395 PolarHBondContact NH2-OH 3.34Å
378	K	86.5	Confident	76.2	Confident	48 Å²	48	95.6 Å²	95.6	21%	0.209	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-54.3	123.4	170.4	-81.9	176.2	-179.5	-179.2	0	110.2	D39 D40 S357 T358 T359 S380	D39-K378 VanDerWaalsContact OD2-CE 3.26Å; D39-K378 WeakPolarHBondContact OD2-CE 3.16Å; D39-K378 IonicContact OD2-NZ 2.67Å; D39-K378 PolarHBondContact OD2-NZ 2.86Å; D40-K378 IonicContact OD1-NZ 3.56Å; D40-K378 PolarHBondContact OD1-NZ 3.01Å; S357-K378 WeakPolarHBondContact O-CD 3.29Å; S357-K378 VanDerWaalsContact O-CG 3.31Å; S357-K378 WeakPolarHBondContact O-CG 3.32Å; T358-K378 WeakPolarHBondContact O-CE 3.17Å; T359-K378 HydrophobicContact CG2-CD 4.32Å; T359-K378 HydrophobicContact CG2-CG 3.43Å; T359-K378 VanDerWaalsContact CG2-CG 3.43Å; K378-S380 PolarHBondContact O-N 2.86Å
379	K	78.9	Confident	74.3	Confident	124 Å²	124	97.6 Å²	97.6	54%	0.539	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-63.7	131.6	168.9	-65.1	-168.5	-179	-167.9	0	107.8	R377 N381 N392 D466	R377-K379 PolarHBondContact O-N 3.18Å; K379-N381 PolarHBondContact O-N 3.05Å; K379-N392 WeakPolarHBondContact CE-OD1 3.28Å; K379-N392 PolarHBondContact NZ-OD1 2.59Å; K379-D466 IonicContact NZ-OD1 3.68Å; K379-D466 PolarHBondContact NZ-OD1 3.18Å; K379-D466 IonicContact NZ-OD2 2.8Å; K379-D466 PolarHBondContact NZ-OD2 2.9Å; K379-D466 VanDerWaalsContact NZ-OD2 3.17Å
380	S	65.6	Low	72.8	Confident	90 Å²	90	99 Å²	99	63%	0.629	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-75.7	123.6	179.1	-171	0	0	0	0	109.1	K378 F382	K378-S380 PolarHBondContact O-N 2.86Å; S380-F382 PolarHBondContact O-N 2.98Å; S380-F382 WeakPolarHBondContact OG-CD2 3.19Å
381	N	57.1	Low	71.8	Confident	158 Å²	158	97.2 Å²	97.2	85%	0.845	48%	0.484	S	S	*	.			trans	-78.3	6.6	174	-70.9	-9.5	0	0	0	112.9	K379 L383	K379-N381 PolarHBondContact O-N 3.05Å; N381-L383 PolarHBondContact O-N 3.09Å
382	F	53.9	Low	71.4	Confident	169 Å²	169	95.7 Å²	95.7	74%	0.741	48%	0.475	S	S	*	.			trans	-75.1	115.7	178.3	-77.5	-80.1	0	0	0	110.4	S380 L384	S380-F382 PolarHBondContact O-N 2.98Å; S380-F382 WeakPolarHBondContact OG-CD2 3.19Å; F382-L384 PolarHBondContact O-N 3.48Å
383	L	49.6	Very low	71.3	Confident	173 Å²	173	95.7 Å²	95.7	91%	0.906	48%	0.475	S	S	*	.			trans	-65.2	25.7	171.6	-74.3	164.8	0	0	0	114	N381 P385	N381-L383 PolarHBondContact O-N 3.09Å; L383-P385 WeakPolarHBondContact O-CD 3.35Å
384	L	52	Low	71.2	Confident	127 Å²	127	94.9 Å²	94.9	67%	0.665	47%	0.473	S	S	*	.			trans	-101.2	93	175.4	-78.1	165.9	0	0	0	109.4	F382 L386	F382-L384 PolarHBondContact O-N 3.48Å; L384-L386 PolarHBondContact O-N 3.48Å
385	P	48.7	Very low	71.2	Confident	113 Å²	113	95 Å²	95	73%	0.734	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	5.9	-178	26.2	-35.5	0	0	0	115.1	L383	L383-P385 WeakPolarHBondContact O-CD 3.35Å
386	L	51.7	Low	71.2	Confident	155 Å²	155	95 Å²	95	81%	0.812	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.1	-171.5	-79.5	161.5	0	0	0	114.9	L384	L384-L386 PolarHBondContact O-N 3.48Å
387	L	49.3	Very low	71.3	Confident	139 Å²	139	94.4 Å²	94.4	73%	0.728	47%	0.468	S	S	*	.			trans	-131.1	84.2	167.5	-71.7	167.2	0	0	0	108.1	R389	L387-R389 PolarHBondContact O-N 3.31Å
388	Q	47.7	Very low	71.5	Confident	172 Å²	172	90.6 Å²	90.6	80%	0.804	45%	0.454	S	S	*	.			trans	-60.1	77.4	165.8	-85.5	177.1	-23	0	0	109.4
389	R	54.9	Low	72	Confident	195 Å²	195	89.8 Å²	89.8	74%	0.736	45%	0.452	S	S	*	.			trans	-77.7	119.8	165.3	-77.3	-177	171.9	-176.4	-1.5	106	L387 E391	L387-R389 PolarHBondContact O-N 3.31Å; R389-E391 WeakPolarHBondContact O-CA 3.42Å; R389-E391 PolarHBondContact O-N 3.08Å
390	N	60.2	Low	72.8	Confident	59 Å²	59	90.2 Å²	90.2	32%	0.316	45%	0.454	S	S	.	.			trans	-16.5	103.4	173.8	-67.5	-23.1	0	0	0	112.1	N392 V393 E462 N463	N390-N392 VanDerWaalsContact C-N 3.25Å; N390-N392 PolarHBondContact O-N 3.15Å; N390-V393 HydrophobicContact CB-CG2 4.15Å; N390-E462 HydrophobicContact CB-CB 4.25Å; N390-E462 PolarHBondContact ND2-OE1 3.36Å; N390-N463 WeakPolarHBondContact CB-OD1 3.38Å
391	E	71.4	Confident	74.2	Confident	140 Å²	140	87.7 Å²	87.7	65%	0.654	43%	0.43	S	S	*	.	S	Bend	trans	-68.4	-26.7	-158.4	-67.6	-175.6	163.4	0	0	112.6	R389	R389-E391 WeakPolarHBondContact O-CA 3.42Å; R389-E391 PolarHBondContact O-N 3.08Å
392	N	88.3	Confident	76	Confident	29 Å²	29	81.4 Å²	81.4	16%	0.155	40%	0.398	C	S	.	.			trans	-128.8	105.8	-179.1	-66.3	-23	0	0	0	110.4	K379 N390 E462 N463 D466	K379-N392 WeakPolarHBondContact CE-OD1 3.28Å; K379-N392 PolarHBondContact NZ-OD1 2.59Å; N390-N392 VanDerWaalsContact C-N 3.25Å; N390-N392 PolarHBondContact O-N 3.15Å; N392-E462 CarbonylContact O-C 3.56Å; N392-N463 PolarHBondContact O-N 3.17Å; N392-D466 VanDerWaalsContact CG-OD1 3.27Å; N392-D466 PolarHBondContact ND2-OD1 3.2Å; N392-D466 VanDerWaalsContact ND2-OD1 3.12Å; N392-D466 PolarHBondContact ND2-OD2 3.33Å; N392-D466 PolarHBondContact OD1-OD1 3.11Å
393	V	95.2	Very high	77.8	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.03	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.6	174	-177.8	0	0	0	0	109.7	A376 R377 N390 Y395 K460 V461 E462	A376-V393 WeakPolarHBondContact CA-O 3.39Å; R377-V393 HydrophobicContact CB-CB 3.94Å; R377-V393 PolarHBondContact N-O 2.53Å; N390-V393 HydrophobicContact CB-CG2 4.15Å; V393-Y395 HydrophobicContact CG1-CE1 3.94Å; V393-Y395 HydrophobicContact CG1-CE2 4.01Å; V393-K460 HydrophobicContact CG1-CD 4.4Å; V393-K460 HydrophobicContact CG1-CG 3.79Å; V393-V461 WeakPolarHBondContact CA-O 3.37Å; V393-E462 HydrophobicContact CG1-CG 4.28Å; V393-E462 HydrophobicContact CG2-CB 4.35Å; V393-E462 HydrophobicContact CG2-CG 3.97Å
394	V	97.2	Very high	79.9	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.024	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131	175.6	-176.8	0	0	0	0	108.4	W361 Y374 V412 V461 A464	W361-V394 HydrophobicContact CD2-CG1 3.8Å; W361-V394 HydrophobicContact CD2-CG2 4.18Å; W361-V394 HydrophobicContact CE3-CG1 3.96Å; W361-V394 HydrophobicContact CG-CG1 4.2Å; W361-V394 HydrophobicContact CG-CG2 4.34Å; W361-V394 HydrophobicContact CH2-CG1 4.44Å; W361-V394 HydrophobicContact CZ2-CG1 4.3Å; W361-V394 HydrophobicContact CZ2-CG2 3.99Å; W361-V394 HydrophobicContact CZ3-CG1 4.28Å; Y374-V394 HydrophobicContact CD1-CG1 3.92Å; V394-V412 HydrophobicContact CG1-CG2 4.21Å; V394-V461 PolarHBondContact N-O 3.04Å; V394-V461 PolarHBondContact O-N 3.48Å; V394-A464 HydrophobicContact CG2-CB 4.23Å
395	Y	98.3	Very high	82	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.1	173.6	-56.1	-81.2	0	0	0	108.8	E353 A354 T358 Y374 T375 R377 V393 L423 V458 I459 K460	E353-Y395 HydrophobicContact CG-CE1 4.14Å; E353-Y395 WeakPolarHBondContact CG-OH 3.34Å; E353-Y395 PolarHBondContact OE1-OH 3.46Å; A354-Y395 HydrophobicContact CB-CD1 3.64Å; A354-Y395 HydrophobicContact CB-CD2 4.11Å; A354-Y395 HydrophobicContact CB-CE1 4.33Å; A354-Y395 HydrophobicContact CB-CG 3.5Å; T358-Y395 HydrophobicContact CG2-CD2 4.33Å; T358-Y395 HydrophobicContact CG2-CE2 4.22Å; Y374-Y395 VanDerWaalsContact CA-O 3.29Å; Y374-Y395 WeakPolarHBondContact CA-O 3.44Å; T375-Y395 PolarHBondContact N-O 2.92Å; T375-Y395 VanDerWaalsContact N-O 3.13Å; T375-Y395 PolarHBondContact O-N 3.46Å; R377-Y395 HydrophobicContact CB-CE2 4.08Å; R377-Y395 PolarHBondContact NE-OH 3.04Å; R377-Y395 PolarHBondContact NH2-OH 3.34Å; V393-Y395 HydrophobicContact CG1-CE1 3.94Å; V393-Y395 HydrophobicContact CG1-CE2 4.01Å; Y395-L423 HydrophobicContact CD1-CD1 4.5Å; Y395-V458 HydrophobicContact CD1-CG1 4.03Å; Y395-V458 HydrophobicContact CG-CG1 4.45Å; Y395-I459 CarbonylContact C-O 3.45Å; Y395-I459 WeakPolarHBondContact CA-O 3.24Å; Y395-K460 HydrophobicContact CD1-CB 4.09Å; Y395-K460 HydrophobicContact CD1-CG 4.06Å; Y395-K460 HydrophobicContact CE1-CB 4.2Å; Y395-K460 HydrophobicContact CE1-CD 3.99Å; Y395-K460 HydrophobicContact CE1-CG 3.75Å
396	A	98.3	Very high	84.3	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.3	172.2	0	0	0	0	0	109.1	V372 Y374 L409 V458 I459	V372-A396 HydrophobicContact CG1-CB 4.01Å; Y374-A396 HydrophobicContact CD1-CB 3.8Å; Y374-A396 HydrophobicContact CE1-CB 3.48Å; Y374-A396 VanDerWaalsContact CE1-CB 3.48Å; A396-L409 HydrophobicContact CB-CD1 3.97Å; A396-L409 HydrophobicContact CB-CD2 3.73Å; A396-V458 WeakPolarHBondContact O-CA 3.17Å; A396-I459 HydrophobicContact CB-CB 4.25Å; A396-I459 PolarHBondContact N-O 3.01Å; A396-I459 PolarHBondContact O-N 3.16Å
397	I	98.6	Very high	86.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.4	-175.3	-50.3	168.5	0	0	0	108.2	V312 W347 A354 I355 V372 W373 T375 W457 V458	V312-I397 HydrophobicContact CB-CG2 4.4Å; V312-I397 HydrophobicContact CG1-CB 3.96Å; V312-I397 HydrophobicContact CG1-CD1 3.94Å; V312-I397 HydrophobicContact CG1-CG2 3.79Å; V312-I397 HydrophobicContact CG2-CD1 4.33Å; V312-I397 HydrophobicContact CG2-CG2 3.66Å; W347-I397 HydrophobicContact CZ2-CG2 4.19Å; A354-I397 HydrophobicContact CB-CD1 4.46Å; I355-I397 HydrophobicContact CD1-CD1 4.18Å; V372-I397 WeakPolarHBondContact CA-O 3.32Å; W373-I397 PolarHBondContact N-O 2.91Å; W373-I397 PolarHBondContact O-N 3.18Å; T375-I397 HydrophobicContact CG2-CD1 4.14Å; I397-W457 CarbonylContact C-O 3.58Å; I397-W457 WeakPolarHBondContact CA-O 3.33Å; I397-V458 HydrophobicContact CB-CG2 4.44Å; I397-V458 HydrophobicContact CG1-CG1 4.42Å; I397-V458 HydrophobicContact CG1-CG2 4.05Å; I397-V458 HydrophobicContact CG2-CG2 4.14Å
398	M	97.7	Very high	88.7	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.8	176.5	56	169.2	95.7	0	0	110.6	V372 K400 W401 L407 M422 L443 A456 W457 I459	V372-M398 HydrophobicContact CG2-CB 4.39Å; M398-K400 VanDerWaalsContact C-N 3.33Å; M398-W401 HydrophobicContact SD-CE3 4Å; M398-W401 HydrophobicContact SD-CZ3 4.29Å; M398-L407 HydrophobicContact CE-CD1 4.49Å; M398-L407 HydrophobicContact CE-CD2 3.73Å; M398-M422 HydrophobicContact CE-CE 4.15Å; M398-L443 HydrophobicContact CE-CD1 3.65Å; M398-L443 HydrophobicContact SD-CD1 4.39Å; M398-A456 VanDerWaalsContact O-CA 3.27Å; M398-A456 WeakPolarHBondContact O-CA 3.42Å; M398-A456 WeakPolarHBondContact O-CB 3.4Å; M398-W457 HydrophobicContact CE-CB 4.36Å; M398-W457 HydrophobicContact CG-CB 3.65Å; M398-W457 HydrophobicContact CG-CE3 3.99Å; M398-W457 HydrophobicContact CG-CG 4.48Å; M398-W457 WeakPolarHBondContact CG-O 3.44Å; M398-W457 PolarHBondContact N-O 2.86Å; M398-W457 PolarHBondContact O-N 3.01Å; M398-W457 HydrophobicContact SD-CB 3.77Å; M398-W457 HydrophobicContact SD-CD2 4.31Å; M398-W457 HydrophobicContact SD-CE3 3.93Å; M398-W457 HydrophobicContact SD-CG 4.3Å; M398-I459 HydrophobicContact CE-CD1 3.58Å; M398-I459 HydrophobicContact CE-CG1 3.6Å
399	L	97.8	Very high	91.1	Very high	31 Å²	31	47 Å²	47	16%	0.162	24%	0.243	C	C	.	.	S	Bend	trans	-84.8	-9.9	176	-59.4	-179.4	0	0	0	112.7	V312 D371 A456	V312-L399 HydrophobicContact CB-CD2 4.05Å; V312-L399 HydrophobicContact CG1-CD2 4.12Å; V312-L399 HydrophobicContact CG2-CD2 4.03Å; D371-L399 HydrophobicContact CB-CB 4.31Å; D371-L399 WeakPolarHBondContact O-CB 3.48Å; D371-L399 PolarHBondContact O-N 3.18Å; L399-A456 HydrophobicContact CD2-CB 4.09Å
400	K	95.6	Very high	93	Very high	132 Å²	132	39.4 Å²	39.4	57%	0.574	22%	0.216	S	C	*	.	S	Bend	trans	-143	142.7	173	-65.1	-170.5	-169.4	162.2	0	110.2	D371 M398	D371-K400 HydrophobicContact CB-CB 4.22Å; D371-K400 HydrophobicContact CB-CG 4.3Å; D371-K400 WeakPolarHBondContact OD2-CD 3.44Å; D371-K400 IonicContact OD2-NZ 3.88Å; M398-K400 VanDerWaalsContact C-N 3.33Å
401	W	94.9	Very high	94.7	Very high	37 Å²	37	37.3 Å²	37.3	14%	0.14	21%	0.205	C	C	.	.			trans	-71.8	131	172.9	-166.2	-91.4	0	0	0	109.7	M398 S403 S405 M422 L443 V446 H448 L451 W457	M398-W401 HydrophobicContact SD-CE3 4Å; M398-W401 HydrophobicContact SD-CZ3 4.29Å; W401-S403 PolarHBondContact O-N 3.37Å; W401-S405 PolarHBondContact NE1-OG 3.39Å; W401-M422 HydrophobicContact CH2-CE 3.95Å; W401-M422 HydrophobicContact CZ3-CE 3.86Å; W401-L443 HydrophobicContact CH2-CB 4.04Å; W401-L443 HydrophobicContact CH2-CD1 4.09Å; W401-L443 HydrophobicContact CZ2-CB 3.67Å; W401-L443 HydrophobicContact CZ2-CD1 4.09Å; W401-L443 HydrophobicContact CZ2-CG 4.48Å; W401-L443 HydrophobicContact CZ3-CD1 4.49Å; W401-V446 HydrophobicContact CH2-CB 3.86Å; W401-V446 HydrophobicContact CH2-CG1 3.68Å; W401-V446 HydrophobicContact CZ2-CB 4.17Å; W401-V446 HydrophobicContact CZ2-CG1 4.4Å; W401-H448 AromaticContact CD1-ND1 3.94Å; W401-H448 HydrophobicContact CD2-CB 3.62Å; W401-H448 AromaticContact CD2-CG 3.81Å; W401-H448 AromaticContact CE2-CG 3.96Å; W401-H448 AromaticContact CE2-ND1 3.83Å; W401-H448 HydrophobicContact CE3-CB 3.5Å; W401-H448 HydrophobicContact CG-CB 4.39Å; W401-H448 HydrophobicContact CH2-CB 3.72Å; W401-H448 HydrophobicContact CZ2-CB 3.83Å; W401-H448 HydrophobicContact CZ3-CB 3.56Å; W401-H448 AromaticContact NE1-ND1 3.75Å; W401-L451 HydrophobicContact CH2-CD1 4.37Å; W401-L451 HydrophobicContact CZ3-CD1 4.04Å; W401-W457 HydrophobicContact CB-CE3 4.44Å; W401-W457 HydrophobicContact CB-CH2 3.97Å; W401-W457 HydrophobicContact CB-CZ3 3.86Å; W401-W457 AromaticContact CE3-CD2 3.65Å; W401-W457 HydrophobicContact CE3-CD2 3.65Å; W401-W457 AromaticContact CE3-CE2 3.82Å; W401-W457 AromaticContact CE3-CE3 3.91Å; W401-W457 HydrophobicContact CE3-CE3 3.91Å; W401-W457 HydrophobicContact CE3-CG 4.07Å; W401-W457 HydrophobicContact CE3-CH2 4.46Å; W401-W457 HydrophobicContact CE3-CZ2 4.23Å; W401-W457 HydrophobicContact CE3-CZ3 4.33Å; W401-W457 HydrophobicContact CZ3-CD2 4.07Å; W401-W457 AromaticContact CZ3-CG 3.99Å; W401-W457 HydrophobicContact CZ3-CG 3.99Å; W401-W457 VanDerWaalsContact N-CZ3 3.35Å
402	P	94.5	Very high	95.9	Very high	26 Å²	26	30.7 Å²	30.7	17%	0.169	17%	0.174	C	C	.	.			trans	-66.9	132.7	177.4	26.2	-32.1	0	0	0	110.6	S404 S405 I406 L407 L443	P402-S404 PolarHBondContact O-N 3.01Å; P402-S405 PolarHBondContact O-N 2.91Å; P402-I406 WeakPolarHBondContact CB-O 3.35Å; P402-L407 HydrophobicContact CG-CB 4.32Å; P402-L443 HydrophobicContact CG-CD1 4.01Å
403	S	92.4	Very high	96.2	Very high	131 Å²	131	30.6 Å²	30.6	92%	0.916	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.8	-177	53.4	0	0	0	0	113.7	W401 S405	W401-S403 PolarHBondContact O-N 3.37Å; S403-S405 VanDerWaalsContact C-N 3.28Å
404	S	93.9	Very high	96.2	Very high	75 Å²	75	31.3 Å²	31.3	52%	0.524	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8	174.5	57.1	0	0	0	0	113.8	P402 I406	P402-S404 PolarHBondContact O-N 3.01Å; S404-I406 PolarHBondContact O-N 2.89Å; S404-I406 PolarHBondContact OG-N 3.29Å; S404-I406 PolarHBondContact OG-O 2.94Å
405	S	95.3	Very high	96	Very high	28 Å²	28	33.1 Å²	33.1	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	54.2	23.8	-165.6	-56.7	0	0	0	0	113.9	W401 P402 S403 L443 T444	W401-S405 PolarHBondContact NE1-OG 3.39Å; P402-S405 PolarHBondContact O-N 2.91Å; S403-S405 VanDerWaalsContact C-N 3.28Å; S405-L443 CarbonylContact O-C 3.39Å; S405-L443 VanDerWaalsContact O-CA 3.29Å; S405-L443 WeakPolarHBondContact O-CA 3.28Å; S405-L443 VanDerWaalsContact O-CB 3.24Å; S405-L443 WeakPolarHBondContact O-CB 3.21Å; S405-L443 PolarHBondContact O-N 3.29Å; S405-T444 PolarHBondContact O-N 3.21Å
406	I	96.4	Very high	95.8	Very high	53 Å²	53	39.4 Å²	39.4	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	168.4	-56.8	-61.1	0	0	0	107.6	P402 S404 E440 D442 T444	P402-I406 WeakPolarHBondContact CB-O 3.35Å; S404-I406 PolarHBondContact O-N 2.89Å; S404-I406 PolarHBondContact OG-N 3.29Å; S404-I406 PolarHBondContact OG-O 2.94Å; I406-E440 HydrophobicContact CG2-CB 4.03Å; I406-E440 HydrophobicContact CG2-CG 4.41Å; I406-D442 HydrophobicContact CD1-CB 4.19Å; I406-T444 HydrophobicContact CD1-CG2 3.98Å
407	L	97	Very high	95.6	Very high	7 Å²	7	45 Å²	45	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.2	178.2	178.2	75.5	0	0	0	110.2	V372 M398 P402 L409 E440 V441 L443 I459	V372-L407 HydrophobicContact CG2-CD1 3.84Å; M398-L407 HydrophobicContact CE-CD1 4.49Å; M398-L407 HydrophobicContact CE-CD2 3.73Å; P402-L407 HydrophobicContact CG-CB 4.32Å; L407-L409 HydrophobicContact CD1-CD2 4.47Å; L407-L409 HydrophobicContact CD2-CD1 4.45Å; L407-L409 HydrophobicContact CD2-CD2 3.62Å; L407-L409 HydrophobicContact CD2-CG 4.04Å; L407-L409 HydrophobicContact CG-CD2 3.9Å; L407-L409 HydrophobicContact CG-CG 4.28Å; L407-E440 CarbonylContact O-C 3.42Å; L407-E440 WeakPolarHBondContact O-CA 3.26Å; L407-V441 HydrophobicContact CB-CB 4.34Å; L407-V441 PolarHBondContact N-O 3.01Å; L407-V441 PolarHBondContact O-N 3.28Å; L407-L443 HydrophobicContact CB-CD1 3.95Å; L407-I459 HydrophobicContact CD2-CG1 3.57Å
408	T	97	Very high	95.4	Very high	31 Å²	31	45.4 Å²	45.4	19%	0.19	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.3	172.6	-44.6	0	0	0	0	110.7	S369 H410 L434 E440	S369-T408 PolarHBondContact OG-O 3.14Å; T408-H410 WeakPolarHBondContact CG2-CE1 3.01Å; T408-H410 WeakPolarHBondContact CG2-NE2 3.48Å; T408-L434 HydrophobicContact CG2-CD1 3.78Å; T408-E440 HydrophobicContact CG2-CG 4.01Å
409	L	97.4	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	101.9	171.9	-58.6	-178.8	0	0	0	108.5	V372 Y374 A396 L407 L411 V412 G438 M439 V441 V461	V372-L409 HydrophobicContact CG1-CD2 3.95Å; Y374-L409 HydrophobicContact CE1-CD2 4.32Å; A396-L409 HydrophobicContact CB-CD1 3.97Å; A396-L409 HydrophobicContact CB-CD2 3.73Å; L407-L409 HydrophobicContact CD1-CD2 4.47Å; L407-L409 HydrophobicContact CD2-CD1 4.45Å; L407-L409 HydrophobicContact CD2-CD2 3.62Å; L407-L409 HydrophobicContact CD2-CG 4.04Å; L407-L409 HydrophobicContact CG-CD2 3.9Å; L407-L409 HydrophobicContact CG-CG 4.28Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 2.85Å; L409-V412 HydrophobicContact CB-CB 4.32Å; L409-V412 HydrophobicContact CB-CG2 4.3Å; L409-V412 HydrophobicContact CD1-CG2 4.37Å; L409-G438 CarbonylContact O-C 3.54Å; L409-G438 WeakPolarHBondContact O-CA 3.28Å; L409-M439 HydrophobicContact CB-CG 4.18Å; L409-M439 HydrophobicContact CD1-CG 4.29Å; L409-M439 HydrophobicContact CD1-SD 4.47Å; L409-M439 PolarHBondContact N-O 3.37Å; L409-M439 PolarHBondContact O-N 3.3Å; L409-V441 HydrophobicContact CD1-CG2 4.08Å; L409-V441 HydrophobicContact CG-CG2 4.48Å; L409-V461 HydrophobicContact CD1-CG2 4.23Å
410	H	96.7	Very high	95.4	Very high	36 Å²	36	46 Å²	46	17%	0.167	27%	0.268	C	S	.	.	S	Bend	trans	-79.3	-16.2	-170.2	-64.5	84.7	0	0	0	113.6	D366 S367 T408	D366-H410 IonicContact OD1-CE1 3.59Å; D366-H410 IonicContact OD1-CG 3.5Å; D366-H410 IonicContact OD1-ND1 2.85Å; D366-H410 PolarHBondContact OD1-ND1 3.13Å; D366-H410 PolarHBondContact OD2-N 3.29Å; D366-H410 IonicContact OD2-ND1 3.84Å; S367-H410 WeakPolarHBondContact OG-CB 3.45Å; T408-H410 WeakPolarHBondContact CG2-CE1 3.01Å; T408-H410 WeakPolarHBondContact CG2-NE2 3.48Å
411	L	95.3	Very high	95.4	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.084	25%	0.251	C	S	.	.	S	Bend	trans	-110.4	-18.4	-172	-60.9	177.2	0	0	0	113.2	W361 F363 R365 Y374 L409 R437	W361-L411 HydrophobicContact CH2-CB 4.15Å; W361-L411 WeakPolarHBondContact CH2-O 3.03Å; W361-L411 HydrophobicContact CZ3-CB 4.05Å; F363-L411 HydrophobicContact CB-CD1 3.6Å; F363-L411 HydrophobicContact CD1-CD1 3.94Å; F363-L411 HydrophobicContact CD2-CB 4.15Å; F363-L411 HydrophobicContact CD2-CD1 4.15Å; F363-L411 HydrophobicContact CG-CB 4.44Å; F363-L411 HydrophobicContact CG-CD1 3.61Å; F363-L411 HydrophobicContact CG-CG 4.43Å; R365-L411 WeakPolarHBondContact O-CD1 3.01Å; Y374-L411 HydrophobicContact CE2-CB 4.42Å; Y374-L411 HydrophobicContact CE2-CD1 4.28Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 2.85Å; L411-R437 PolarHBondContact O-NE 2.93Å; L411-R437 VanDerWaalsContact O-NE 3.12Å; L411-R437 PolarHBondContact O-NH2 2.72Å
412	V	95.9	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.245	C	C	.	.			trans	-94.3	104	-177	-169.1	0	0	0	0	109.9	W361 Y374 V394 L409 G438 M439 V461 A464	W361-V412 HydrophobicContact CH2-CB 4.23Å; W361-V412 HydrophobicContact CH2-CG2 3.59Å; W361-V412 HydrophobicContact CZ2-CG2 4.42Å; W361-V412 HydrophobicContact CZ3-CG2 3.86Å; Y374-V412 HydrophobicContact CD1-CG2 4.26Å; Y374-V412 HydrophobicContact CE1-CG2 3.51Å; V394-V412 HydrophobicContact CG1-CG2 4.21Å; L409-V412 HydrophobicContact CB-CB 4.32Å; L409-V412 HydrophobicContact CB-CG2 4.3Å; L409-V412 HydrophobicContact CD1-CG2 4.37Å; V412-G438 CarbonylContact O-C 3.36Å; V412-G438 WeakPolarHBondContact O-CA 3.42Å; V412-M439 HydrophobicContact CB-CE 4Å; V412-M439 HydrophobicContact CG1-CE 3.61Å; V412-M439 WeakPolarHBondContact O-CE 3.44Å; V412-V461 HydrophobicContact CG1-CB 4.22Å; V412-V461 HydrophobicContact CG1-CG1 3.9Å; V412-V461 HydrophobicContact CG1-CG2 4.29Å; V412-A464 HydrophobicContact CG1-CB 3.79Å
413	T	94.8	Very high	95.6	Very high	28 Å²	28	39.4 Å²	39.4	17%	0.172	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-85	124.9	177.2	-43.3	0	0	0	0	110.1	R437 E465	T413-R437 WeakPolarHBondContact OG1-CG 3.42Å; T413-E465 WeakPolarHBondContact CB-OE2 3.29Å; T413-E465 VanDerWaalsContact CG2-OE2 3.27Å; T413-E465 WeakPolarHBondContact CG2-OE2 3.02Å; T413-E465 PolarHBondContact O-N 2.64Å; T413-E465 PolarHBondContact OG1-OE2 3.47Å
414	P	95.4	Very high	95.7	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.123	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	149.2	174.2	32.5	-33.2	0	0	0	111.3	T418 Y431 P433 M439	P414-T418 WeakPolarHBondContact CA-OG1 3.25Å; P414-T418 HydrophobicContact CB-CG2 3.9Å; P414-Y431 HydrophobicContact CB-CD2 4.16Å; P414-Y431 HydrophobicContact CB-CE2 3.36Å; P414-Y431 HydrophobicContact CG-CD2 4.15Å; P414-Y431 HydrophobicContact CG-CE2 3.62Å; P414-P433 HydrophobicContact CG-CB 3.85Å; P414-P433 HydrophobicContact CG-CG 3.82Å; P414-M439 HydrophobicContact CB-CE 3.9Å; P414-M439 HydrophobicContact CG-CB 4.17Å; P414-M439 HydrophobicContact CG-CE 4.27Å
415	T	93.7	Very high	95.8	Very high	43 Å²	43	34.4 Å²	34.4	26%	0.264	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	171.4	167.5	73.1	0	0	0	0	110	N417 T418 N463 E465	T415-N417 PolarHBondContact O-N 2.74Å; T415-N417 VanDerWaalsContact O-N 3.12Å; T415-N417 PolarHBondContact OG1-N 3.49Å; T415-T418 PolarHBondContact N-OG1 3.33Å; T415-T418 WeakPolarHBondContact O-CB 3.32Å; T415-T418 PolarHBondContact O-N 2.83Å; T415-T418 VanDerWaalsContact O-N 3.08Å; T415-T418 PolarHBondContact O-OG1 3.29Å; T415-T418 PolarHBondContact OG1-N 2.92Å; T415-T418 PolarHBondContact OG1-OG1 2.65Å; T415-N463 WeakPolarHBondContact CG2-O 3.4Å; T415-N463 PolarHBondContact OG1-O 2.97Å; T415-E465 HydrophobicContact CG2-CB 4.34Å
416	P	93	Very high	95.6	Very high	133 Å²	133	38.3 Å²	38.3	86%	0.864	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	-20.8	172.8	-26.5	36.4	0	0	0	114.6
417	N	93.7	Very high	95.5	Very high	119 Å²	119	43.1 Å²	43.1	64%	0.636	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	8.1	179.9	-62	-33.3	0	0	0	112.7	T415 V419 N463	T415-N417 PolarHBondContact O-N 2.74Å; T415-N417 VanDerWaalsContact O-N 3.12Å; T415-N417 PolarHBondContact OG1-N 3.49Å; N417-V419 PolarHBondContact O-N 3.48Å; N417-N463 HydrophobicContact CB-CB 4.35Å; N417-N463 PolarHBondContact O-ND2 3.17Å; N417-N463 VanDerWaalsContact O-ND2 3.08Å
418	T	95.8	Very high	95.4	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.3	-177.6	-71.6	0	0	0	0	111.6	P414 T415 V420 Y431 V461 E462 N463	P414-T418 WeakPolarHBondContact CA-OG1 3.25Å; P414-T418 HydrophobicContact CB-CG2 3.9Å; T415-T418 PolarHBondContact N-OG1 3.33Å; T415-T418 WeakPolarHBondContact O-CB 3.32Å; T415-T418 PolarHBondContact O-N 2.83Å; T415-T418 VanDerWaalsContact O-N 3.08Å; T415-T418 PolarHBondContact O-OG1 3.29Å; T415-T418 PolarHBondContact OG1-N 2.92Å; T415-T418 PolarHBondContact OG1-OG1 2.65Å; T418-V420 HydrophobicContact CG2-CG2 3.87Å; T418-Y431 WeakPolarHBondContact CB-OH 3.49Å; T418-Y431 HydrophobicContact CG2-CE1 4.16Å; T418-Y431 PolarHBondContact O-OH 3.17Å; T418-V461 HydrophobicContact CG2-CG1 3.64Å; T418-E462 VanDerWaalsContact CA-O 3.25Å; T418-E462 WeakPolarHBondContact CA-O 3.15Å; T418-N463 PolarHBondContact OG1-O 3.5Å
419	V	96.6	Very high	95.4	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.261	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.6	173.8	179.2	0	0	0	0	108.1	N417 T421 Q428 E462	N417-V419 PolarHBondContact O-N 3.48Å; V419-T421 HydrophobicContact CG1-CG2 4.2Å; V419-Q428 HydrophobicContact CG1-CG 4.28Å; V419-E462 HydrophobicContact CB-CB 4.41Å; V419-E462 PolarHBondContact N-O 2.78Å; V419-E462 VanDerWaalsContact N-O 3.12Å; V419-E462 PolarHBondContact O-N 3.49Å
420	V	97.4	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.8	-179.4	-174.3	0	0	0	0	109.2	T418 Q428 L429 Y431 M439 V441 I459 V461	T418-V420 HydrophobicContact CG2-CG2 3.87Å; V420-Q428 WeakPolarHBondContact O-CG 3.36Å; V420-L429 HydrophobicContact CG1-CB 4.14Å; V420-L429 HydrophobicContact CG1-CD1 4.41Å; V420-L429 PolarHBondContact O-N 3.48Å; V420-Y431 HydrophobicContact CB-CD1 4.02Å; V420-Y431 HydrophobicContact CG2-CD1 3.34Å; V420-Y431 HydrophobicContact CG2-CE1 3.7Å; V420-Y431 HydrophobicContact CG2-CG 3.98Å; V420-M439 HydrophobicContact CG2-SD 3.94Å; V420-V441 HydrophobicContact CG1-CG1 3.88Å; V420-V441 HydrophobicContact CG1-CG2 4.09Å; V420-I459 HydrophobicContact CG1-CG2 3.44Å; V420-I459 VanDerWaalsContact CG1-CG2 3.44Å; V420-V461 HydrophobicContact CG2-CG1 4.39Å
421	T	97.1	Very high	95.4	Very high	33 Å²	33	51.5 Å²	51.5	20%	0.202	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	168.8	177.5	53.8	0	0	0	0	110	V419 I459 K460	V419-T421 HydrophobicContact CG1-CG2 4.2Å; T421-I459 CarbonylContact O-C 3.59Å; T421-I459 WeakPolarHBondContact O-CA 3.21Å; T421-K460 PolarHBondContact N-O 3.08Å; T421-K460 PolarHBondContact O-N 2.84Å
422	M	97.1	Very high	95.5	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.2	169.4	172.2	-176.7	-66	0	0	109.5	M398 W401 G424 Y425 L429 L443 V446 L451 W457 V458 I459	M398-M422 HydrophobicContact CE-CE 4.15Å; W401-M422 HydrophobicContact CH2-CE 3.95Å; W401-M422 HydrophobicContact CZ3-CE 3.86Å; M422-G424 PolarHBondContact O-N 3.5Å; M422-Y425 PolarHBondContact O-N 3.44Å; M422-L429 HydrophobicContact CB-CD1 3.89Å; M422-L443 HydrophobicContact CE-CD2 3.89Å; M422-V446 HydrophobicContact SD-CG1 4.32Å; M422-L451 HydrophobicContact SD-CD1 3.64Å; M422-W457 HydrophobicContact CE-CB 4.38Å; M422-W457 HydrophobicContact SD-CB 4.43Å; M422-V458 VanDerWaalsContact CA-O 3.29Å; M422-V458 WeakPolarHBondContact CA-O 3.28Å; M422-V458 WeakPolarHBondContact CG-O 3.48Å; M422-I459 HydrophobicContact CB-CD1 4.08Å; M422-I459 HydrophobicContact CE-CD1 3.48Å; M422-I459 VanDerWaalsContact CE-CD1 3.48Å; M422-I459 HydrophobicContact CG-CD1 4.39Å
423	L	96.6	Very high	95.5	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	131.6	177.3	-60.6	-172.9	0	0	0	110.1	N351 E353 A354 Y395 Y425 V458 K460	N351-L423 WeakPolarHBondContact OD1-CB 3.12Å; E353-L423 HydrophobicContact CB-CD1 4.06Å; A354-L423 HydrophobicContact CB-CD1 4.1Å; Y395-L423 HydrophobicContact CD1-CD1 4.5Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-V458 HydrophobicContact CB-CB 4.28Å; L423-V458 HydrophobicContact CD1-CB 3.95Å; L423-V458 HydrophobicContact CD1-CG1 3.8Å; L423-V458 HydrophobicContact CD1-CG2 4.47Å; L423-V458 HydrophobicContact CG-CB 4.06Å; L423-V458 HydrophobicContact CG-CG1 4.03Å; L423-V458 PolarHBondContact N-O 3.1Å; L423-K460 HydrophobicContact CD2-CB 4.23Å; L423-K460 HydrophobicContact CD2-CD 4.08Å
424	G	94.4	Very high	95.6	Very high	55 Å²	55	61 Å²	61	57%	0.567	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	6	-174.4	0	0	0	0	0	115.1	M422	M422-G424 PolarHBondContact O-N 3.5Å
425	Y	94.6	Very high	95.4	Very high	46 Å²	46	72.4 Å²	72.4	18%	0.18	39%	0.385	C	S	.	.			trans	-121.5	126.3	174.7	-175.8	-114.9	0	0	0	110.1	M422 L423 Y427 L429 V446 L451	M422-Y425 PolarHBondContact O-N 3.44Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y425-Y427 VanDerWaalsContact CD1-O 3.24Å; Y425-Y427 WeakPolarHBondContact CD1-O 3.32Å; Y425-Y427 HydrophobicContact CE1-CD2 4.13Å; Y425-Y427 HydrophobicContact CE1-CG 4.41Å; Y425-Y427 AromaticContact CE2-CD2 3.88Å; Y425-Y427 HydrophobicContact CE2-CD2 3.88Å; Y425-Y427 AromaticContact CZ-CD2 3.6Å; Y425-Y427 PolarHBondContact O-N 2.88Å; Y425-L429 HydrophobicContact CD1-CD2 4.09Å; Y425-L429 HydrophobicContact CE1-CD2 3.8Å; Y425-V446 HydrophobicContact CD1-CG2 4.4Å; Y425-V446 HydrophobicContact CD2-CG1 4.4Å; Y425-V446 HydrophobicContact CE1-CG2 3.88Å; Y425-V446 HydrophobicContact CE2-CG1 4.35Å; Y425-V446 HydrophobicContact CE2-CG2 4.4Å; Y425-L451 HydrophobicContact CD2-CD2 3.98Å
426	P	91.6	Very high	95.1	Very high	111 Å²	111	78.4 Å²	78.4	72%	0.721	41%	0.414	S	S	*	.			trans	-79	-12.8	-168.2	30.1	-35.5	0	0	0	114.6
427	Y	94	Very high	95	Very high	153 Å²	153	75.8 Å²	75.8	60%	0.6	39%	0.387	S	S	*	.	S	Bend	trans	-103.5	148.6	-175.2	-52	-72.5	0	0	0	111.8	Y425	Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y425-Y427 VanDerWaalsContact CD1-O 3.24Å; Y425-Y427 WeakPolarHBondContact CD1-O 3.32Å; Y425-Y427 HydrophobicContact CE1-CD2 4.13Å; Y425-Y427 HydrophobicContact CE1-CG 4.41Å; Y425-Y427 AromaticContact CE2-CD2 3.88Å; Y425-Y427 HydrophobicContact CE2-CD2 3.88Å; Y425-Y427 AromaticContact CZ-CD2 3.6Å; Y425-Y427 PolarHBondContact O-N 2.88Å
428	Q	95.4	Very high	95.2	Very high	123 Å²	123	70.2 Å²	70.2	58%	0.575	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-68.2	146.8	170.5	-170.1	176.5	-25.3	0	0	110.3	V419 V420	V419-Q428 HydrophobicContact CG1-CG 4.28Å; V420-Q428 WeakPolarHBondContact O-CG 3.36Å
429	L	97.1	Very high	95.2	Very high	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-98.1	141.3	177.3	-59.9	173.2	0	0	0	110.4	V420 M422 Y425 V441 L443 V446 I459	V420-L429 HydrophobicContact CG1-CB 4.14Å; V420-L429 HydrophobicContact CG1-CD1 4.41Å; V420-L429 PolarHBondContact O-N 3.48Å; M422-L429 HydrophobicContact CB-CD1 3.89Å; Y425-L429 HydrophobicContact CD1-CD2 4.09Å; Y425-L429 HydrophobicContact CE1-CD2 3.8Å; L429-V441 HydrophobicContact CB-CG1 3.95Å; L429-V441 HydrophobicContact CD1-CG1 3.89Å; L429-L443 HydrophobicContact CD1-CD2 3.71Å; L429-L443 HydrophobicContact CD2-CD2 4.25Å; L429-V446 HydrophobicContact CD2-CG2 3.66Å; L429-I459 HydrophobicContact CD1-CD1 3.69Å
430	S	97.3	Very high	95.3	Very high	65 Å²	65	71.3 Å²	71.3	46%	0.455	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-74.9	149.7	168.9	38	0	0	0	0	110.6	D442	S430-D442 PolarHBondContact O-N 2.86Å; S430-D442 WeakPolarHBondContact OG-CB 3.3Å
431	Y	97.4	Very high	95.3	Very high	57 Å²	57	71.3 Å²	71.3	22%	0.224	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159	173.1	70.2	-87.9	0	0	0	111.6	P414 T418 V420 P433 M439 E440	P414-Y431 HydrophobicContact CB-CD2 4.16Å; P414-Y431 HydrophobicContact CB-CE2 3.36Å; P414-Y431 HydrophobicContact CG-CD2 4.15Å; P414-Y431 HydrophobicContact CG-CE2 3.62Å; T418-Y431 WeakPolarHBondContact CB-OH 3.49Å; T418-Y431 HydrophobicContact CG2-CE1 4.16Å; T418-Y431 PolarHBondContact O-OH 3.17Å; V420-Y431 HydrophobicContact CB-CD1 4.02Å; V420-Y431 HydrophobicContact CG2-CD1 3.34Å; V420-Y431 HydrophobicContact CG2-CE1 3.7Å; V420-Y431 HydrophobicContact CG2-CG 3.98Å; Y431-P433 HydrophobicContact CD2-CG 4.5Å; Y431-P433 HydrophobicContact CE2-CG 4.16Å; Y431-M439 HydrophobicContact CD2-CB 4.1Å; Y431-M439 HydrophobicContact CD2-SD 4.05Å; Y431-M439 HydrophobicContact CG-SD 4.09Å; Y431-E440 CarbonylContact C-O 3.45Å; Y431-E440 WeakPolarHBondContact CA-O 3.34Å; Y431-E440 WeakPolarHBondContact CB-O 3.29Å
432	I	96.9	Very high	95.3	Very high	114 Å²	114	71.9 Å²	71.9	59%	0.585	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.6	174.1	-57.3	175.4	0	0	0	108.3	M439 E440	I432-M439 CarbonylContact O-C 3.57Å; I432-M439 VanDerWaalsContact O-CA 3.3Å; I432-M439 WeakPolarHBondContact O-CA 3.2Å; I432-E440 PolarHBondContact N-O 2.96Å; I432-E440 PolarHBondContact O-N 3.15Å
433	P	96.5	Very high	95.3	Very high	79 Å²	79	71.8 Å²	71.8	51%	0.513	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	137.7	172.8	-21.2	31.8	0	0	0	111.9	P414 Y431	P414-P433 HydrophobicContact CG-CB 3.85Å; P414-P433 HydrophobicContact CG-CG 3.82Å; Y431-P433 HydrophobicContact CD2-CG 4.5Å; Y431-P433 HydrophobicContact CE2-CG 4.16Å
434	L	95.7	Very high	95.2	Very high	50 Å²	50	74.9 Å²	74.9	26%	0.262	38%	0.38	S	S	.	.			trans	-76.1	151.5	171.3	-68.1	179.7	0	0	0	110.6	T408 I436 R437 G438 E440	T408-L434 HydrophobicContact CG2-CD1 3.78Å; L434-I436 VanDerWaalsContact C-N 3.25Å; L434-I436 PolarHBondContact O-N 3.39Å; L434-I436 VanDerWaalsContact O-N 3.13Å; L434-R437 WeakPolarHBondContact CB-O 3.36Å; L434-R437 WeakPolarHBondContact CD1-O 3.49Å; L434-G438 PolarHBondContact N-O 3.35Å; L434-E440 HydrophobicContact CD2-CG 3.81Å
435	R	91.1	Very high	95	Very high	259 Å²	259	76.9 Å²	76.9	98%	0.977	38%	0.382	S	S	*	.	S	Bend	trans	-56.1	-33.5	-175	-71.2	-173.3	178.6	-175.9	-0.2	115.2
436	I	87.4	Confident	94.9	Very high	170 Å²	170	75 Å²	75	87%	0.872	38%	0.375	S	S	*	.	S	Bend	trans	-107.6	-58.7	-175.7	-59.3	176.3	0	0	0	109.9	L434	L434-I436 VanDerWaalsContact C-N 3.25Å; L434-I436 PolarHBondContact O-N 3.39Å; L434-I436 VanDerWaalsContact O-N 3.13Å
437	R	92.3	Very high	94.8	Very high	78 Å²	78	73.6 Å²	73.6	29%	0.294	36%	0.361	S	S	.	.	S	Bend	trans	-159.7	141.4	-175.6	-173.5	176.7	175.3	-166.3	-12.2	109.4	L411 T413 L434	L411-R437 PolarHBondContact O-NE 2.93Å; L411-R437 VanDerWaalsContact O-NE 3.12Å; L411-R437 PolarHBondContact O-NH2 2.72Å; T413-R437 WeakPolarHBondContact OG1-CG 3.42Å; L434-R437 WeakPolarHBondContact CB-O 3.36Å; L434-R437 WeakPolarHBondContact CD1-O 3.49Å
438	G	96.2	Very high	94.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.01	35%	0.347	C	S	.	.			trans	103.4	-173.9	178	0	0	0	0	0	114	L409 V412 L434	L409-G438 CarbonylContact O-C 3.54Å; L409-G438 WeakPolarHBondContact O-CA 3.28Å; V412-G438 CarbonylContact O-C 3.36Å; V412-G438 WeakPolarHBondContact O-CA 3.42Å; L434-G438 PolarHBondContact N-O 3.35Å
439	M	97.5	Very high	94	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.6	175.2	67.5	-177.4	91.3	0	0	111.5	L409 V412 P414 V420 Y431 I432 V441 V461	L409-M439 HydrophobicContact CB-CG 4.18Å; L409-M439 HydrophobicContact CD1-CG 4.29Å; L409-M439 HydrophobicContact CD1-SD 4.47Å; L409-M439 PolarHBondContact N-O 3.37Å; L409-M439 PolarHBondContact O-N 3.3Å; V412-M439 HydrophobicContact CB-CE 4Å; V412-M439 HydrophobicContact CG1-CE 3.61Å; V412-M439 WeakPolarHBondContact O-CE 3.44Å; P414-M439 HydrophobicContact CB-CE 3.9Å; P414-M439 HydrophobicContact CG-CB 4.17Å; P414-M439 HydrophobicContact CG-CE 4.27Å; V420-M439 HydrophobicContact CG2-SD 3.94Å; Y431-M439 HydrophobicContact CD2-CB 4.1Å; Y431-M439 HydrophobicContact CD2-SD 4.05Å; Y431-M439 HydrophobicContact CG-SD 4.09Å; I432-M439 CarbonylContact O-C 3.57Å; I432-M439 VanDerWaalsContact O-CA 3.3Å; I432-M439 WeakPolarHBondContact O-CA 3.2Å; M439-V441 HydrophobicContact CG-CG2 4.02Å; M439-V441 HydrophobicContact SD-CG2 3.96Å; M439-V461 HydrophobicContact CE-CG1 3.7Å; M439-V461 HydrophobicContact CE-CG2 4.3Å
440	E	97.6	Very high	93.5	Very high	74 Å²	74	77 Å²	77	35%	0.346	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.2	165.4	-69.2	-179	157.6	0	0	108.7	I406 L407 T408 Y431 I432 L434	I406-E440 HydrophobicContact CG2-CB 4.03Å; I406-E440 HydrophobicContact CG2-CG 4.41Å; L407-E440 CarbonylContact O-C 3.42Å; L407-E440 WeakPolarHBondContact O-CA 3.26Å; T408-E440 HydrophobicContact CG2-CG 4.01Å; Y431-E440 CarbonylContact C-O 3.45Å; Y431-E440 WeakPolarHBondContact CA-O 3.34Å; Y431-E440 WeakPolarHBondContact CB-O 3.29Å; I432-E440 PolarHBondContact N-O 2.96Å; I432-E440 PolarHBondContact O-N 3.15Å; L434-E440 HydrophobicContact CD2-CG 3.81Å
441	V	97.9	Very high	93.2	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.2	176.6	-175	0	0	0	0	108.5	L407 L409 V420 L429 M439 L443	L407-V441 HydrophobicContact CB-CB 4.34Å; L407-V441 PolarHBondContact N-O 3.01Å; L407-V441 PolarHBondContact O-N 3.28Å; L409-V441 HydrophobicContact CD1-CG2 4.08Å; L409-V441 HydrophobicContact CG-CG2 4.48Å; V420-V441 HydrophobicContact CG1-CG1 3.88Å; V420-V441 HydrophobicContact CG1-CG2 4.09Å; L429-V441 HydrophobicContact CB-CG1 3.95Å; L429-V441 HydrophobicContact CD1-CG1 3.89Å; M439-V441 HydrophobicContact CG-CG2 4.02Å; M439-V441 HydrophobicContact SD-CG2 3.96Å; V441-L443 HydrophobicContact CG1-CD2 3.93Å
442	D	97.4	Very high	92.7	Very high	46 Å²	46	75.6 Å²	75.6	25%	0.246	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.2	-179.9	179.5	4.6	0	0	0	110.4	I406 S430 T444	I406-D442 HydrophobicContact CD1-CB 4.19Å; S430-D442 PolarHBondContact O-N 2.86Å; S430-D442 WeakPolarHBondContact OG-CB 3.3Å; D442-T444 VanDerWaalsContact OD1-CB 3.25Å; D442-T444 WeakPolarHBondContact OD1-CB 3.29Å; D442-T444 VanDerWaalsContact OD1-CG2 3.22Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.48Å; D442-T444 PolarHBondContact OD1-N 2.71Å; D442-T444 PolarHBondContact OD1-OG1 2.73Å
443	L	96.7	Very high	92.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.362	C	S	.	.			trans	-110.9	9	178.9	-49.1	174.7	0	0	0	111.9	M398 W401 P402 S405 L407 M422 L429 V441 T445 V446 I459	M398-L443 HydrophobicContact CE-CD1 3.65Å; M398-L443 HydrophobicContact SD-CD1 4.39Å; W401-L443 HydrophobicContact CH2-CB 4.04Å; W401-L443 HydrophobicContact CH2-CD1 4.09Å; W401-L443 HydrophobicContact CZ2-CB 3.67Å; W401-L443 HydrophobicContact CZ2-CD1 4.09Å; W401-L443 HydrophobicContact CZ2-CG 4.48Å; W401-L443 HydrophobicContact CZ3-CD1 4.49Å; P402-L443 HydrophobicContact CG-CD1 4.01Å; S405-L443 CarbonylContact O-C 3.39Å; S405-L443 VanDerWaalsContact O-CA 3.29Å; S405-L443 WeakPolarHBondContact O-CA 3.28Å; S405-L443 VanDerWaalsContact O-CB 3.24Å; S405-L443 WeakPolarHBondContact O-CB 3.21Å; S405-L443 PolarHBondContact O-N 3.29Å; L407-L443 HydrophobicContact CB-CD1 3.95Å; M422-L443 HydrophobicContact CE-CD2 3.89Å; L429-L443 HydrophobicContact CD1-CD2 3.71Å; L429-L443 HydrophobicContact CD2-CD2 4.25Å; V441-L443 HydrophobicContact CG1-CD2 3.93Å; L443-T445 PolarHBondContact O-N 2.92Å; L443-V446 WeakPolarHBondContact O-CB 3.18Å; L443-V446 PolarHBondContact O-N 3.45Å; L443-I459 HydrophobicContact CD2-CD1 4Å
444	T	94	Very high	92.1	Very high	87 Å²	87	73.3 Å²	73.3	53%	0.534	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.1	-175.9	59.2	0	0	0	0	113	S405 I406 D442 V446	S405-T444 PolarHBondContact O-N 3.21Å; I406-T444 HydrophobicContact CD1-CG2 3.98Å; D442-T444 VanDerWaalsContact OD1-CB 3.25Å; D442-T444 WeakPolarHBondContact OD1-CB 3.29Å; D442-T444 VanDerWaalsContact OD1-CG2 3.22Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.48Å; D442-T444 PolarHBondContact OD1-N 2.71Å; D442-T444 PolarHBondContact OD1-OG1 2.73Å; T444-V446 VanDerWaalsContact C-N 3.33Å
445	T	90.5	Very high	92.1	Very high	97 Å²	97	72.8 Å²	72.8	60%	0.595	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.7	175.2	61	0	0	0	0	113.4	L443	L443-T445 PolarHBondContact O-N 2.92Å
446	V	93.1	Very high	92.4	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.036	32%	0.315	C	S	.	.			trans	-95.3	107.1	-176.5	-171.7	0	0	0	0	109.6	W401 M422 Y425 L429 L443 T444 H448 L451	W401-V446 HydrophobicContact CH2-CB 3.86Å; W401-V446 HydrophobicContact CH2-CG1 3.68Å; W401-V446 HydrophobicContact CZ2-CB 4.17Å; W401-V446 HydrophobicContact CZ2-CG1 4.4Å; M422-V446 HydrophobicContact SD-CG1 4.32Å; Y425-V446 HydrophobicContact CD1-CG2 4.4Å; Y425-V446 HydrophobicContact CD2-CG1 4.4Å; Y425-V446 HydrophobicContact CE1-CG2 3.88Å; Y425-V446 HydrophobicContact CE2-CG1 4.35Å; Y425-V446 HydrophobicContact CE2-CG2 4.4Å; L429-V446 HydrophobicContact CD2-CG2 3.66Å; L443-V446 WeakPolarHBondContact O-CB 3.18Å; L443-V446 PolarHBondContact O-N 3.45Å; T444-V446 VanDerWaalsContact C-N 3.33Å; V446-H448 PolarHBondContact O-N 3Å; V446-L451 HydrophobicContact CG1-CD1 3.77Å; V446-L451 HydrophobicContact CG1-CD2 4Å; V446-L451 HydrophobicContact CG1-CG 4.14Å
447	N	89.3	Confident	92.9	Very high	81 Å²	81	53.2 Å²	53.2	43%	0.433	28%	0.277	S	S	.	.			trans	-76.4	93.5	168.7	-173.9	-10.4	0	0	0	110.1	Q449 N450	N447-Q449 PolarHBondContact O-N 3.49Å; N447-Q449 VanDerWaalsContact O-N 3.12Å; N447-Q449 WeakPolarHBondContact OD1-CB 3.4Å; N447-Q449 PolarHBondContact OD1-N 2.9Å; N447-N450 PolarHBondContact ND2-ND2 3.49Å; N447-N450 PolarHBondContact O-N 2.9Å
448	H	85.9	Confident	93.1	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.306	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.2	-23.8	-177.1	69.7	-83.4	0	0	0	114.5	W401 V446 N450 L451 W457	W401-H448 AromaticContact CD1-ND1 3.94Å; W401-H448 HydrophobicContact CD2-CB 3.62Å; W401-H448 AromaticContact CD2-CG 3.81Å; W401-H448 AromaticContact CE2-CG 3.96Å; W401-H448 AromaticContact CE2-ND1 3.83Å; W401-H448 HydrophobicContact CE3-CB 3.5Å; W401-H448 HydrophobicContact CG-CB 4.39Å; W401-H448 HydrophobicContact CH2-CB 3.72Å; W401-H448 HydrophobicContact CZ2-CB 3.83Å; W401-H448 HydrophobicContact CZ3-CB 3.56Å; W401-H448 AromaticContact NE1-ND1 3.75Å; V446-H448 PolarHBondContact O-N 3Å; H448-N450 PolarHBondContact O-N 2.84Å; H448-L451 HydrophobicContact CB-CD1 4.22Å; H448-L451 PolarHBondContact O-N 3.47Å; H448-W457 HydrophobicContact CB-CZ2 4.48Å
449	Q	85.2	Confident	93.2	Very high	154 Å²	154	49.5 Å²	49.5	72%	0.72	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-68	-25.3	176.7	-60.5	-179	-4.7	0	0	112.5	N447	N447-Q449 PolarHBondContact O-N 3.49Å; N447-Q449 VanDerWaalsContact O-N 3.12Å; N447-Q449 WeakPolarHBondContact OD1-CB 3.4Å; N447-Q449 PolarHBondContact OD1-N 2.9Å
450	N	87.4	Confident	93.2	Very high	132 Å²	132	50.6 Å²	50.6	71%	0.706	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-94.4	-2.6	179.1	-67.8	-11.4	0	0	0	112.7	N447 H448	N447-N450 PolarHBondContact ND2-ND2 3.49Å; N447-N450 PolarHBondContact O-N 2.9Å; H448-N450 PolarHBondContact O-N 2.84Å
451	L	90.4	Very high	93.2	Very high	19 Å²	19	47 Å²	47	10%	0.099	25%	0.25	C	S	.	.	S	Bend	trans	-72.2	144.6	176.7	-66.4	177.8	0	0	0	110.4	W401 M422 Y425 V446 H448 A453 W457	W401-L451 HydrophobicContact CH2-CD1 4.37Å; W401-L451 HydrophobicContact CZ3-CD1 4.04Å; M422-L451 HydrophobicContact SD-CD1 3.64Å; Y425-L451 HydrophobicContact CD2-CD2 3.98Å; V446-L451 HydrophobicContact CG1-CD1 3.77Å; V446-L451 HydrophobicContact CG1-CD2 4Å; V446-L451 HydrophobicContact CG1-CG 4.14Å; H448-L451 HydrophobicContact CB-CD1 4.22Å; H448-L451 PolarHBondContact O-N 3.47Å; L451-A453 PolarHBondContact O-N 2.86Å; L451-W457 VanDerWaalsContact CD1-CD1 3.43Å
452	A	88.6	Confident	93.1	Very high	74 Å²	74	48.2 Å²	48.2	61%	0.612	26%	0.256	S	S	*	.	S	Bend	trans	-66.7	-29.7	175.9	0	0	0	0	0	112	I350	I350-A452 HydrophobicContact CD1-CB 3.43Å; I350-A452 VanDerWaalsContact CD1-CB 3.43Å; I350-A452 HydrophobicContact CG1-CB 4.4Å
453	A	88.6	Confident	92.9	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.041	25%	0.254	C	S	.	.			trans	-86.4	125.5	171.9	0	0	0	0	0	110.1	I350 L451 W457	I350-A453 HydrophobicContact CD1-CB 4.09Å; I350-A453 HydrophobicContact CG2-CB 4.4Å; L451-A453 PolarHBondContact O-N 2.86Å; A453-W457 PolarHBondContact O-NE1 2.85Å
454	K	90.8	Very high	92.6	Very high	141 Å²	141	48 Å²	48	61%	0.613	26%	0.255	S	S	*	.			trans	-106.6	-28.9	-169.7	-63.2	-174.6	177.4	-176.1	0	115.5	W457	K454-W457 WeakPolarHBondContact O-CZ2 3.25Å
455	W	95.4	Very high	92.2	Very high	38 Å²	38	49.1 Å²	49.1	14%	0.144	25%	0.254	C	S	.	.	S	Bend	trans	-111.4	-26.1	-165.4	-53.7	-69.8	0	0	0	114.3	I304 E305 I308 Q343 Q346 W347	I304-W455 HydrophobicContact CG1-CD2 3.7Å; I304-W455 HydrophobicContact CG1-CE3 3.96Å; I304-W455 HydrophobicContact CG1-CG 4.1Å; I304-W455 HydrophobicContact CG1-CH2 4.4Å; I304-W455 HydrophobicContact CG1-CZ2 4.16Å; I304-W455 HydrophobicContact CG1-CZ3 4.32Å; I304-W455 HydrophobicContact CG2-CD2 4.12Å; I304-W455 HydrophobicContact CG2-CG 4.05Å; I304-W455 HydrophobicContact CG2-CZ2 4.27Å; E305-W455 HydrophobicContact CG-CB 4.36Å; E305-W455 VanDerWaalsContact OE1-CD1 3.29Å; I308-W455 HydrophobicContact CD1-CB 3.71Å; I308-W455 HydrophobicContact CD1-CD2 4.02Å; I308-W455 HydrophobicContact CD1-CE3 3.58Å; I308-W455 HydrophobicContact CD1-CG 4.12Å; I308-W455 HydrophobicContact CD1-CZ3 4.5Å; Q343-W455 HydrophobicContact CB-CH2 3.56Å; Q343-W455 HydrophobicContact CB-CZ2 4.02Å; Q343-W455 HydrophobicContact CB-CZ3 4.09Å; Q343-W455 HydrophobicContact CG-CH2 3.67Å; Q343-W455 HydrophobicContact CG-CZ2 3.82Å; Q343-W455 WeakPolarHBondContact O-CZ3 3.31Å; Q346-W455 HydrophobicContact CB-CZ3 4.36Å; W347-W455 HydrophobicContact CB-CE3 4.16Å; W347-W455 HydrophobicContact CB-CZ3 4.28Å
456	A	97.5	Very high	91.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.			trans	-155.6	153.1	174.9	0	0	0	0	0	108.5	I308 W347 M398 L399	I308-A456 HydrophobicContact CG2-CB 3.8Å; W347-A456 HydrophobicContact CZ2-CB 4.2Å; W347-A456 PolarHBondContact NE1-O 3.42Å; M398-A456 VanDerWaalsContact O-CA 3.27Å; M398-A456 WeakPolarHBondContact O-CA 3.42Å; M398-A456 WeakPolarHBondContact O-CB 3.4Å; L399-A456 HydrophobicContact CD2-CB 4.09Å
457	W	97.9	Very high	91.2	Very high	19 Å²	19	51.8 Å²	51.8	7%	0.072	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.2	-175.7	-50.6	-93.6	0	0	0	110.4	I397 M398 W401 M422 H448 L451 A453 K454	I397-W457 CarbonylContact C-O 3.58Å; I397-W457 WeakPolarHBondContact CA-O 3.33Å; M398-W457 HydrophobicContact CE-CB 4.36Å; M398-W457 HydrophobicContact CG-CB 3.65Å; M398-W457 HydrophobicContact CG-CE3 3.99Å; M398-W457 HydrophobicContact CG-CG 4.48Å; M398-W457 WeakPolarHBondContact CG-O 3.44Å; M398-W457 PolarHBondContact N-O 2.86Å; M398-W457 PolarHBondContact O-N 3.01Å; M398-W457 HydrophobicContact SD-CB 3.77Å; M398-W457 HydrophobicContact SD-CD2 4.31Å; M398-W457 HydrophobicContact SD-CE3 3.93Å; M398-W457 HydrophobicContact SD-CG 4.3Å; W401-W457 HydrophobicContact CB-CE3 4.44Å; W401-W457 HydrophobicContact CB-CH2 3.97Å; W401-W457 HydrophobicContact CB-CZ3 3.86Å; W401-W457 AromaticContact CE3-CD2 3.65Å; W401-W457 HydrophobicContact CE3-CD2 3.65Å; W401-W457 AromaticContact CE3-CE2 3.82Å; W401-W457 AromaticContact CE3-CE3 3.91Å; W401-W457 HydrophobicContact CE3-CE3 3.91Å; W401-W457 HydrophobicContact CE3-CG 4.07Å; W401-W457 HydrophobicContact CE3-CH2 4.46Å; W401-W457 HydrophobicContact CE3-CZ2 4.23Å; W401-W457 HydrophobicContact CE3-CZ3 4.33Å; W401-W457 HydrophobicContact CZ3-CD2 4.07Å; W401-W457 AromaticContact CZ3-CG 3.99Å; W401-W457 HydrophobicContact CZ3-CG 3.99Å; W401-W457 VanDerWaalsContact N-CZ3 3.35Å; M422-W457 HydrophobicContact CE-CB 4.38Å; M422-W457 HydrophobicContact SD-CB 4.43Å; H448-W457 HydrophobicContact CB-CZ2 4.48Å; L451-W457 VanDerWaalsContact CD1-CD1 3.43Å; A453-W457 PolarHBondContact O-NE1 2.85Å; K454-W457 WeakPolarHBondContact O-CZ2 3.25Å
458	V	98.3	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.1	-176.3	-178.7	0	0	0	0	110.1	W347 N351 A354 Y395 A396 I397 M422 L423	W347-V458 HydrophobicContact CZ2-CG2 4.35Å; N351-V458 HydrophobicContact CB-CG2 3.79Å; N351-V458 WeakPolarHBondContact OD1-CG2 3.45Å; A354-V458 HydrophobicContact CB-CB 4.49Å; A354-V458 HydrophobicContact CB-CG1 3.66Å; A354-V458 HydrophobicContact CB-CG2 4.15Å; Y395-V458 HydrophobicContact CD1-CG1 4.03Å; Y395-V458 HydrophobicContact CG-CG1 4.45Å; A396-V458 WeakPolarHBondContact O-CA 3.17Å; I397-V458 HydrophobicContact CB-CG2 4.44Å; I397-V458 HydrophobicContact CG1-CG1 4.42Å; I397-V458 HydrophobicContact CG1-CG2 4.05Å; I397-V458 HydrophobicContact CG2-CG2 4.14Å; M422-V458 VanDerWaalsContact CA-O 3.29Å; M422-V458 WeakPolarHBondContact CA-O 3.28Å; M422-V458 WeakPolarHBondContact CG-O 3.48Å; L423-V458 HydrophobicContact CB-CB 4.28Å; L423-V458 HydrophobicContact CD1-CB 3.95Å; L423-V458 HydrophobicContact CD1-CG1 3.8Å; L423-V458 HydrophobicContact CD1-CG2 4.47Å; L423-V458 HydrophobicContact CG-CB 4.06Å; L423-V458 HydrophobicContact CG-CG1 4.03Å; L423-V458 PolarHBondContact N-O 3.1Å
459	I	98	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.8	164.7	-53	-52.1	0	0	0	108.1	Y395 A396 M398 L407 V420 T421 M422 L429 L443 V461	Y395-I459 CarbonylContact C-O 3.45Å; Y395-I459 WeakPolarHBondContact CA-O 3.24Å; A396-I459 HydrophobicContact CB-CB 4.25Å; A396-I459 PolarHBondContact N-O 3.01Å; A396-I459 PolarHBondContact O-N 3.16Å; M398-I459 HydrophobicContact CE-CD1 3.58Å; M398-I459 HydrophobicContact CE-CG1 3.6Å; L407-I459 HydrophobicContact CD2-CG1 3.57Å; V420-I459 HydrophobicContact CG1-CG2 3.44Å; V420-I459 VanDerWaalsContact CG1-CG2 3.44Å; T421-I459 CarbonylContact O-C 3.59Å; T421-I459 WeakPolarHBondContact O-CA 3.21Å; M422-I459 HydrophobicContact CB-CD1 4.08Å; M422-I459 HydrophobicContact CE-CD1 3.48Å; M422-I459 VanDerWaalsContact CE-CD1 3.48Å; M422-I459 HydrophobicContact CG-CD1 4.39Å; L429-I459 HydrophobicContact CD1-CD1 3.69Å; L443-I459 HydrophobicContact CD2-CD1 4Å; I459-V461 HydrophobicContact CG2-CG2 4Å
460	K	97.6	Very high	92	Very high	23 Å²	23	43.2 Å²	43.2	10%	0.1	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	173.2	177.7	-175.1	175.7	-163.5	0	108.2	E353 V393 Y395 T421 L423 E462	E353-K460 WeakPolarHBondContact OE1-CE 3.36Å; E353-K460 IonicContact OE1-NZ 3.46Å; E353-K460 PolarHBondContact OE1-NZ 3.26Å; V393-K460 HydrophobicContact CG1-CD 4.4Å; V393-K460 HydrophobicContact CG1-CG 3.79Å; Y395-K460 HydrophobicContact CD1-CB 4.09Å; Y395-K460 HydrophobicContact CD1-CG 4.06Å; Y395-K460 HydrophobicContact CE1-CB 4.2Å; Y395-K460 HydrophobicContact CE1-CD 3.99Å; Y395-K460 HydrophobicContact CE1-CG 3.75Å; T421-K460 PolarHBondContact N-O 3.08Å; T421-K460 PolarHBondContact O-N 2.84Å; L423-K460 HydrophobicContact CD2-CB 4.23Å; L423-K460 HydrophobicContact CD2-CD 4.08Å; K460-E462 HydrophobicContact CD-CG 4.3Å; K460-E462 WeakPolarHBondContact CE-OE1 3.49Å; K460-E462 HydrophobicContact CG-CG 4.09Å; K460-E462 IonicContact NZ-OE1 3.05Å; K460-E462 PolarHBondContact NZ-OE1 3.3Å; K460-E462 IonicContact NZ-OE2 3.59Å
461	V	97.3	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.7	177	-172.8	0	0	0	0	108.1	V393 V394 L409 V412 T418 V420 M439 I459 A464	V393-V461 WeakPolarHBondContact CA-O 3.37Å; V394-V461 PolarHBondContact N-O 3.04Å; V394-V461 PolarHBondContact O-N 3.48Å; L409-V461 HydrophobicContact CD1-CG2 4.23Å; V412-V461 HydrophobicContact CG1-CB 4.22Å; V412-V461 HydrophobicContact CG1-CG1 3.9Å; V412-V461 HydrophobicContact CG1-CG2 4.29Å; T418-V461 HydrophobicContact CG2-CG1 3.64Å; V420-V461 HydrophobicContact CG2-CG1 4.39Å; M439-V461 HydrophobicContact CE-CG1 3.7Å; M439-V461 HydrophobicContact CE-CG2 4.3Å; I459-V461 HydrophobicContact CG2-CG2 4Å; V461-A464 HydrophobicContact CG1-CB 3.94Å
462	E	95.9	Very high	92.4	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.112	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.2	176.7	-55.8	-173	100.2	0	0	109.9	N390 N392 V393 T418 V419 K460 A464	N390-E462 HydrophobicContact CB-CB 4.25Å; N390-E462 PolarHBondContact ND2-OE1 3.36Å; N392-E462 CarbonylContact O-C 3.56Å; V393-E462 HydrophobicContact CG1-CG 4.28Å; V393-E462 HydrophobicContact CG2-CB 4.35Å; V393-E462 HydrophobicContact CG2-CG 3.97Å; T418-E462 VanDerWaalsContact CA-O 3.25Å; T418-E462 WeakPolarHBondContact CA-O 3.15Å; V419-E462 HydrophobicContact CB-CB 4.41Å; V419-E462 PolarHBondContact N-O 2.78Å; V419-E462 VanDerWaalsContact N-O 3.12Å; V419-E462 PolarHBondContact O-N 3.49Å; K460-E462 HydrophobicContact CD-CG 4.3Å; K460-E462 WeakPolarHBondContact CE-OE1 3.49Å; K460-E462 HydrophobicContact CG-CG 4.09Å; K460-E462 IonicContact NZ-OE1 3.05Å; K460-E462 PolarHBondContact NZ-OE1 3.3Å; K460-E462 IonicContact NZ-OE2 3.59Å; E462-A464 VanDerWaalsContact C-N 3.31Å; E462-A464 PolarHBondContact O-N 2.8Å
463	N	93.2	Very high	92.7	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	39.9	-179.1	-48.8	-41.5	0	0	0	112.9	N390 N392 T415 N417 T418	N390-N463 WeakPolarHBondContact CB-OD1 3.38Å; N392-N463 PolarHBondContact O-N 3.17Å; T415-N463 WeakPolarHBondContact CG2-O 3.4Å; T415-N463 PolarHBondContact OG1-O 2.97Å; N417-N463 HydrophobicContact CB-CB 4.35Å; N417-N463 PolarHBondContact O-ND2 3.17Å; N417-N463 VanDerWaalsContact O-ND2 3.08Å; T418-N463 PolarHBondContact OG1-O 3.5Å
464	A	89.5	Confident	93	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	155.6	168.8	0	0	0	0	0	110.8	V394 V412 V461 E462	V394-A464 HydrophobicContact CG2-CB 4.23Å; V412-A464 HydrophobicContact CG1-CB 3.79Å; V461-A464 HydrophobicContact CG1-CB 3.94Å; E462-A464 VanDerWaalsContact C-N 3.31Å; E462-A464 PolarHBondContact O-N 2.8Å
465	E	86.8	Confident	93.2	Very high	110 Å²	110	30.3 Å²	30.3	51%	0.514	15%	0.145	S	C	.	.			trans	-64.1	135	170.1	-164.8	-177.7	-168.2	0	0	110.3	T413 T415	T413-E465 WeakPolarHBondContact CB-OE2 3.29Å; T413-E465 VanDerWaalsContact CG2-OE2 3.27Å; T413-E465 WeakPolarHBondContact CG2-OE2 3.02Å; T413-E465 PolarHBondContact O-N 2.64Å; T413-E465 PolarHBondContact OG1-OE2 3.47Å; T415-E465 HydrophobicContact CG2-CB 4.34Å
466	D	71.1	Confident	93	Very high	107 Å²	107	29.5 Å²	29.5	57%	0.572	15%	0.146	S	C	*	.			trans	-57.7	0	-174.3	-100.8	-40.9	0	0	0	113.6	K362 K379 N392	K362-D466 WeakPolarHBondContact CD-OXT 3.33Å; K362-D466 WeakPolarHBondContact CE-OXT 3.2Å; K362-D466 PolarHBondContact NZ-O 2.89Å; K362-D466 PolarHBondContact NZ-OXT 3.49Å; K379-D466 IonicContact NZ-OD1 3.68Å; K379-D466 PolarHBondContact NZ-OD1 3.18Å; K379-D466 IonicContact NZ-OD2 2.8Å; K379-D466 PolarHBondContact NZ-OD2 2.9Å; K379-D466 VanDerWaalsContact NZ-OD2 3.17Å; N392-D466 VanDerWaalsContact CG-OD1 3.27Å; N392-D466 PolarHBondContact ND2-OD1 3.2Å; N392-D466 VanDerWaalsContact ND2-OD1 3.12Å; N392-D466 PolarHBondContact ND2-OD2 3.33Å; N392-D466 PolarHBondContact OD1-OD1 3.11Å

Retrieved 466 of 466 residues in 473.9 ms (Link to these results)

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